USER MOD reduce.3.24.130724 H: found=0, std=0, add=184, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 184 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 Single : A 3 DT C7 :methyl 150:sc= -0.408 (180deg=-0.408) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc=-0.00891 (180deg=-0.00891) USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.203 (180deg=-0.203) USER MOD Single : B 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.217 (180deg=-0.217) USER MOD Single : B 7 DT C7 :methyl 150:sc= -0.0178 (180deg=-0.0178) USER MOD Single : B 8 DT C7 :methyl 150:sc= -0.0327 (180deg=-0.0327) USER MOD ----------------------------------------------------------------- ATOM 1 P DC A 1 6.419 2.536 -8.717 1.00 8.00 P ATOM 2 OP1 DC A 1 5.362 3.195 -9.525 1.00 8.00 O ATOM 3 OP2 DC A 1 6.093 1.257 -8.049 1.00 8.00 O ATOM 4 O5' DC A 1 7.710 2.265 -9.628 1.00 8.00 O ATOM 5 C5' DC A 1 8.027 0.958 -10.072 1.00 8.00 C ATOM 6 C4' DC A 1 9.185 0.258 -9.329 1.00 8.00 C ATOM 7 O4' DC A 1 10.392 0.524 -10.026 1.00 8.00 O ATOM 8 C3' DC A 1 9.459 0.540 -7.844 1.00 8.00 C ATOM 9 O3' DC A 1 9.925 -0.625 -7.177 1.00 8.00 O ATOM 10 C2' DC A 1 10.608 1.523 -7.888 1.00 8.00 C ATOM 11 C1' DC A 1 11.347 1.091 -9.150 1.00 8.00 C ATOM 12 N1 DC A 1 11.942 2.260 -9.833 1.00 8.00 N ATOM 13 C2 DC A 1 13.311 2.293 -10.048 1.00 8.00 C ATOM 14 O2 DC A 1 14.039 1.408 -9.611 1.00 8.00 O ATOM 15 N3 DC A 1 13.846 3.323 -10.746 1.00 8.00 N ATOM 16 C4 DC A 1 13.061 4.277 -11.207 1.00 8.00 C ATOM 17 N4 DC A 1 13.649 5.236 -11.884 1.00 8.00 N ATOM 18 C5 DC A 1 11.655 4.291 -11.001 1.00 8.00 C ATOM 19 C6 DC A 1 11.135 3.255 -10.309 1.00 8.00 C ATOM 0 H5' DC A 1 8.277 1.005 -11.132 1.00 8.00 H new ATOM 0 H5'' DC A 1 7.135 0.338 -9.982 1.00 8.00 H new ATOM 0 H4' DC A 1 8.836 -0.775 -9.322 1.00 8.00 H new ATOM 0 H3' DC A 1 8.565 0.888 -7.326 1.00 8.00 H new ATOM 0 H2' DC A 1 10.260 2.554 -7.952 1.00 8.00 H new ATOM 0 H2'' DC A 1 11.239 1.453 -7.002 1.00 8.00 H new ATOM 0 H1' DC A 1 12.137 0.389 -8.885 1.00 8.00 H new ATOM 0 H41 DC A 1 13.096 6.003 -12.267 1.00 8.00 H new ATOM 0 H42 DC A 1 14.659 5.214 -12.027 1.00 8.00 H new ATOM 0 H5 DC A 1 11.034 5.090 -11.379 1.00 8.00 H new ATOM 0 H6 DC A 1 10.071 3.212 -10.130 1.00 8.00 H new ATOM 31 P DA A 2 8.880 -1.660 -6.547 1.00 8.00 P ATOM 32 OP1 DA A 2 9.537 -2.742 -5.760 1.00 8.00 O ATOM 33 OP2 DA A 2 7.838 -1.977 -7.555 1.00 8.00 O ATOM 34 O5' DA A 2 8.171 -0.709 -5.499 1.00 8.00 O ATOM 35 C5' DA A 2 8.911 0.018 -4.543 1.00 8.00 C ATOM 36 C4' DA A 2 8.262 -0.184 -3.174 1.00 8.00 C ATOM 37 O4' DA A 2 6.898 0.154 -3.230 1.00 8.00 O ATOM 38 C3' DA A 2 8.323 -1.647 -2.764 1.00 8.00 C ATOM 39 O3' DA A 2 8.550 -1.769 -1.390 1.00 8.00 O ATOM 40 C2' DA A 2 6.977 -2.246 -3.161 1.00 8.00 C ATOM 41 C1' DA A 2 6.100 -1.006 -3.153 1.00 8.00 C ATOM 42 N9 DA A 2 5.158 -0.975 -4.275 1.00 8.00 N ATOM 43 C8 DA A 2 5.270 -1.400 -5.569 1.00 8.00 C ATOM 44 N7 DA A 2 4.296 -1.036 -6.361 1.00 8.00 N ATOM 45 C5 DA A 2 3.445 -0.359 -5.478 1.00 8.00 C ATOM 46 C6 DA A 2 2.191 0.269 -5.572 1.00 8.00 C ATOM 47 N6 DA A 2 1.484 0.410 -6.684 1.00 8.00 N ATOM 48 N1 DA A 2 1.603 0.716 -4.468 1.00 8.00 N ATOM 49 C2 DA A 2 2.222 0.598 -3.305 1.00 8.00 C ATOM 50 N3 DA A 2 3.403 0.086 -3.075 1.00 8.00 N ATOM 51 C4 DA A 2 3.960 -0.356 -4.214 1.00 8.00 C ATOM 0 H5' DA A 2 8.928 1.077 -4.802 1.00 8.00 H new ATOM 0 H5'' DA A 2 9.946 -0.323 -4.526 1.00 8.00 H new ATOM 0 H4' DA A 2 8.800 0.444 -2.464 1.00 8.00 H new ATOM 0 H3' DA A 2 9.145 -2.169 -3.254 1.00 8.00 H new ATOM 0 H2' DA A 2 7.010 -2.723 -4.141 1.00 8.00 H new ATOM 0 H2'' DA A 2 6.634 -2.999 -2.451 1.00 8.00 H new ATOM 0 H1' DA A 2 5.535 -1.037 -2.221 1.00 8.00 H new ATOM 0 H8 DA A 2 6.104 -1.994 -5.913 1.00 8.00 H new ATOM 0 H61 DA A 2 0.580 0.882 -6.657 1.00 8.00 H new ATOM 0 H62 DA A 2 1.844 0.047 -7.567 1.00 8.00 H new ATOM 0 H2 DA A 2 1.688 0.969 -2.442 1.00 8.00 H new ATOM 63 P DT A 3 8.725 -3.212 -0.780 1.00 8.00 P ATOM 64 OP1 DT A 3 9.533 -2.992 0.448 1.00 8.00 O ATOM 65 OP2 DT A 3 9.212 -4.095 -1.871 1.00 8.00 O ATOM 66 O5' DT A 3 7.250 -3.614 -0.312 1.00 8.00 O ATOM 67 C5' DT A 3 6.530 -2.806 0.616 1.00 8.00 C ATOM 68 C4' DT A 3 5.037 -3.171 0.743 1.00 8.00 C ATOM 69 O4' DT A 3 4.352 -2.464 -0.280 1.00 8.00 O ATOM 70 C3' DT A 3 4.658 -4.653 0.545 1.00 8.00 C ATOM 71 O3' DT A 3 4.440 -5.424 1.718 1.00 8.00 O ATOM 72 C2' DT A 3 3.352 -4.539 -0.251 1.00 8.00 C ATOM 73 C1' DT A 3 3.080 -3.043 -0.447 1.00 8.00 C ATOM 74 N1 DT A 3 2.619 -2.803 -1.830 1.00 8.00 N ATOM 75 C2 DT A 3 1.330 -2.354 -2.069 1.00 8.00 C ATOM 76 O2 DT A 3 0.569 -1.971 -1.192 1.00 8.00 O ATOM 77 N3 DT A 3 0.916 -2.371 -3.380 1.00 8.00 N ATOM 78 C4 DT A 3 1.613 -2.893 -4.441 1.00 8.00 C ATOM 79 O4 DT A 3 1.106 -2.879 -5.555 1.00 8.00 O ATOM 80 C5 DT A 3 2.927 -3.407 -4.106 1.00 8.00 C ATOM 81 C7 DT A 3 3.733 -4.259 -5.069 1.00 8.00 C ATOM 82 C6 DT A 3 3.378 -3.303 -2.842 1.00 8.00 C ATOM 0 H5' DT A 3 6.613 -1.762 0.313 1.00 8.00 H new ATOM 0 H5'' DT A 3 6.999 -2.892 1.596 1.00 8.00 H new ATOM 0 H4' DT A 3 4.772 -2.921 1.771 1.00 8.00 H new ATOM 0 H3' DT A 3 5.482 -5.187 0.073 1.00 8.00 H new ATOM 0 H2' DT A 3 3.440 -5.045 -1.213 1.00 8.00 H new ATOM 0 H2'' DT A 3 2.530 -5.014 0.285 1.00 8.00 H new ATOM 0 H1' DT A 3 2.324 -2.648 0.231 1.00 8.00 H new ATOM 0 H3 DT A 3 0.006 -1.957 -3.583 1.00 8.00 H new ATOM 0 H71 DT A 3 4.797 -4.097 -4.895 1.00 8.00 H new ATOM 0 H72 DT A 3 3.495 -5.311 -4.911 1.00 8.00 H new ATOM 0 H73 DT A 3 3.487 -3.982 -6.094 1.00 8.00 H new ATOM 0 H6 DT A 3 4.384 -3.630 -2.622 1.00 8.00 H new ATOM 95 P DT A 4 5.628 -5.725 2.769 1.00 8.00 P ATOM 96 OP1 DT A 4 6.916 -5.176 2.293 1.00 8.00 O ATOM 97 OP2 DT A 4 5.637 -7.120 3.268 1.00 8.00 O ATOM 98 O5' DT A 4 5.170 -4.877 4.024 1.00 8.00 O ATOM 99 C5' DT A 4 5.993 -3.911 4.624 1.00 8.00 C ATOM 100 C4' DT A 4 5.603 -3.723 6.091 1.00 8.00 C ATOM 101 O4' DT A 4 4.374 -3.009 6.178 1.00 8.00 O ATOM 102 C3' DT A 4 5.402 -5.101 6.744 1.00 8.00 C ATOM 103 O3' DT A 4 6.060 -5.298 7.967 1.00 8.00 O ATOM 104 C2' DT A 4 3.909 -5.193 6.917 1.00 8.00 C ATOM 105 C1' DT A 4 3.430 -3.754 6.925 1.00 8.00 C ATOM 106 N1 DT A 4 2.124 -3.784 6.243 1.00 8.00 N ATOM 107 C2 DT A 4 0.978 -3.880 7.010 1.00 8.00 C ATOM 108 O2 DT A 4 0.957 -3.728 8.223 1.00 8.00 O ATOM 109 N3 DT A 4 -0.179 -4.194 6.343 1.00 8.00 N ATOM 110 C4 DT A 4 -0.298 -4.388 4.987 1.00 8.00 C ATOM 111 O4 DT A 4 -1.409 -4.623 4.525 1.00 8.00 O ATOM 112 C5 DT A 4 0.945 -4.286 4.238 1.00 8.00 C ATOM 113 C7 DT A 4 0.964 -4.447 2.723 1.00 8.00 C ATOM 114 C6 DT A 4 2.095 -3.999 4.895 1.00 8.00 C ATOM 0 H5' DT A 4 5.902 -2.964 4.092 1.00 8.00 H new ATOM 0 H5'' DT A 4 7.037 -4.217 4.554 1.00 8.00 H new ATOM 0 H4' DT A 4 6.394 -3.169 6.598 1.00 8.00 H new ATOM 0 H3' DT A 4 5.840 -5.877 6.116 1.00 8.00 H new ATOM 0 H2' DT A 4 3.451 -5.758 6.105 1.00 8.00 H new ATOM 0 H2'' DT A 4 3.649 -5.702 7.845 1.00 8.00 H new ATOM 0 H1' DT A 4 3.334 -3.313 7.917 1.00 8.00 H new ATOM 0 H3 DT A 4 -1.026 -4.292 6.903 1.00 8.00 H new ATOM 0 H71 DT A 4 1.775 -3.851 2.304 1.00 8.00 H new ATOM 0 H72 DT A 4 1.117 -5.496 2.471 1.00 8.00 H new ATOM 0 H73 DT A 4 0.014 -4.109 2.309 1.00 8.00 H new ATOM 0 H6 DT A 4 3.017 -3.939 4.335 1.00 8.00 H new ATOM 127 P DC A 5 7.603 -5.717 7.968 1.00 8.00 P ATOM 128 OP1 DC A 5 7.934 -6.158 6.581 1.00 8.00 O ATOM 129 OP2 DC A 5 7.839 -6.638 9.093 1.00 8.00 O ATOM 130 O5' DC A 5 8.323 -4.321 8.290 1.00 8.00 O ATOM 131 C5' DC A 5 7.972 -3.585 9.457 1.00 8.00 C ATOM 132 C4' DC A 5 8.875 -2.362 9.698 1.00 8.00 C ATOM 133 O4' DC A 5 10.099 -2.746 10.309 1.00 8.00 O ATOM 134 C3' DC A 5 9.237 -1.662 8.398 1.00 8.00 C ATOM 135 O3' DC A 5 9.259 -0.266 8.579 1.00 8.00 O ATOM 136 C2' DC A 5 10.590 -2.237 8.055 1.00 8.00 C ATOM 137 C1' DC A 5 11.178 -2.422 9.449 1.00 8.00 C ATOM 138 N1 DC A 5 12.116 -3.560 9.449 1.00 8.00 N ATOM 139 C2 DC A 5 13.463 -3.330 9.686 1.00 8.00 C ATOM 140 O2 DC A 5 13.887 -2.192 9.856 1.00 8.00 O ATOM 141 N3 DC A 5 14.317 -4.381 9.722 1.00 8.00 N ATOM 142 C4 DC A 5 13.855 -5.600 9.527 1.00 8.00 C ATOM 143 N4 DC A 5 14.741 -6.568 9.581 1.00 8.00 N ATOM 144 C5 DC A 5 12.489 -5.882 9.255 1.00 8.00 C ATOM 145 C6 DC A 5 11.649 -4.825 9.231 1.00 8.00 C ATOM 0 H5' DC A 5 8.025 -4.244 10.324 1.00 8.00 H new ATOM 0 H5'' DC A 5 6.937 -3.253 9.372 1.00 8.00 H new ATOM 0 H4' DC A 5 8.306 -1.692 10.343 1.00 8.00 H new ATOM 0 H3' DC A 5 8.520 -1.822 7.593 1.00 8.00 H new ATOM 0 H2' DC A 5 10.514 -3.178 7.510 1.00 8.00 H new ATOM 0 H2'' DC A 5 11.184 -1.560 7.441 1.00 8.00 H new ATOM 0 H1' DC A 5 11.702 -1.520 9.765 1.00 8.00 H new ATOM 0 H41 DC A 5 14.449 -7.535 9.439 1.00 8.00 H new ATOM 0 H42 DC A 5 15.721 -6.353 9.765 1.00 8.00 H new ATOM 0 H5 DC A 5 12.141 -6.889 9.077 1.00 8.00 H new ATOM 0 H6 DC A 5 10.598 -4.981 9.038 1.00 8.00 H new ATOM 157 P DA A 6 9.350 0.727 7.337 1.00 8.00 P ATOM 158 OP1 DA A 6 10.752 0.811 6.875 1.00 8.00 O ATOM 159 OP2 DA A 6 8.816 2.042 7.748 1.00 8.00 O ATOM 160 O5' DA A 6 8.433 0.151 6.156 1.00 8.00 O ATOM 161 C5' DA A 6 8.885 -0.857 5.268 1.00 8.00 C ATOM 162 C4' DA A 6 8.348 -0.597 3.868 1.00 8.00 C ATOM 163 O4' DA A 6 6.980 -0.908 3.834 1.00 8.00 O ATOM 164 C3' DA A 6 8.490 0.848 3.388 1.00 8.00 C ATOM 165 O3' DA A 6 8.744 0.713 2.008 1.00 8.00 O ATOM 166 C2' DA A 6 7.139 1.488 3.719 1.00 8.00 C ATOM 167 C1' DA A 6 6.220 0.277 3.780 1.00 8.00 C ATOM 168 N9 DA A 6 5.272 0.295 4.910 1.00 8.00 N ATOM 169 C8 DA A 6 5.383 0.719 6.217 1.00 8.00 C ATOM 170 N7 DA A 6 4.305 0.521 6.930 1.00 8.00 N ATOM 171 C5 DA A 6 3.428 -0.078 6.023 1.00 8.00 C ATOM 172 C6 DA A 6 2.101 -0.531 6.070 1.00 8.00 C ATOM 173 N6 DA A 6 1.333 -0.519 7.149 1.00 8.00 N ATOM 174 N1 DA A 6 1.519 -0.976 4.960 1.00 8.00 N ATOM 175 C2 DA A 6 2.217 -1.021 3.836 1.00 8.00 C ATOM 176 N3 DA A 6 3.469 -0.673 3.657 1.00 8.00 N ATOM 177 C4 DA A 6 4.016 -0.212 4.801 1.00 8.00 C ATOM 0 H5' DA A 6 8.555 -1.835 5.617 1.00 8.00 H new ATOM 0 H5'' DA A 6 9.975 -0.876 5.251 1.00 8.00 H new ATOM 0 H4' DA A 6 8.948 -1.224 3.208 1.00 8.00 H new ATOM 0 H3' DA A 6 9.274 1.462 3.831 1.00 8.00 H new ATOM 0 H2' DA A 6 7.165 2.028 4.665 1.00 8.00 H new ATOM 0 H2'' DA A 6 6.826 2.199 2.954 1.00 8.00 H new ATOM 0 H1' DA A 6 5.623 0.316 2.869 1.00 8.00 H new ATOM 0 H8 DA A 6 6.278 1.173 6.615 1.00 8.00 H new ATOM 0 H61 DA A 6 0.376 -0.868 7.098 1.00 8.00 H new ATOM 0 H62 DA A 6 1.699 -0.161 8.031 1.00 8.00 H new ATOM 0 H2 DA A 6 1.695 -1.387 2.965 1.00 8.00 H new ATOM 189 P DT A 7 8.764 1.920 0.973 1.00 8.00 P ATOM 190 OP1 DT A 7 9.398 1.326 -0.220 1.00 8.00 O ATOM 191 OP2 DT A 7 9.326 3.160 1.542 1.00 8.00 O ATOM 192 O5' DT A 7 7.252 2.287 0.640 1.00 8.00 O ATOM 193 C5' DT A 7 6.526 1.607 -0.356 1.00 8.00 C ATOM 194 C4' DT A 7 5.050 2.026 -0.361 1.00 8.00 C ATOM 195 O4' DT A 7 4.381 1.464 0.758 1.00 8.00 O ATOM 196 C3' DT A 7 4.803 3.537 -0.248 1.00 8.00 C ATOM 197 O3' DT A 7 4.569 4.147 -1.494 1.00 8.00 O ATOM 198 C2' DT A 7 3.531 3.616 0.587 1.00 8.00 C ATOM 199 C1' DT A 7 3.167 2.168 0.911 1.00 8.00 C ATOM 200 N1 DT A 7 2.722 2.117 2.317 1.00 8.00 N ATOM 201 C2 DT A 7 1.391 1.862 2.591 1.00 8.00 C ATOM 202 O2 DT A 7 0.575 1.517 1.751 1.00 8.00 O ATOM 203 N3 DT A 7 0.997 2.044 3.892 1.00 8.00 N ATOM 204 C4 DT A 7 1.754 2.582 4.901 1.00 8.00 C ATOM 205 O4 DT A 7 1.246 2.748 6.004 1.00 8.00 O ATOM 206 C5 DT A 7 3.114 2.917 4.520 1.00 8.00 C ATOM 207 C7 DT A 7 4.019 3.753 5.405 1.00 8.00 C ATOM 208 C6 DT A 7 3.542 2.647 3.270 1.00 8.00 C ATOM 0 H5' DT A 7 6.600 0.532 -0.191 1.00 8.00 H new ATOM 0 H5'' DT A 7 6.966 1.811 -1.332 1.00 8.00 H new ATOM 0 H4' DT A 7 4.682 1.675 -1.325 1.00 8.00 H new ATOM 0 H3' DT A 7 5.667 4.050 0.175 1.00 8.00 H new ATOM 0 H2' DT A 7 3.694 4.193 1.497 1.00 8.00 H new ATOM 0 H2'' DT A 7 2.730 4.109 0.036 1.00 8.00 H new ATOM 0 H1' DT A 7 2.376 1.757 0.283 1.00 8.00 H new ATOM 0 H3 DT A 7 0.050 1.751 4.132 1.00 8.00 H new ATOM 0 H71 DT A 7 5.057 3.460 5.244 1.00 8.00 H new ATOM 0 H72 DT A 7 3.897 4.807 5.157 1.00 8.00 H new ATOM 0 H73 DT A 7 3.755 3.593 6.450 1.00 8.00 H new ATOM 0 H6 DT A 7 4.570 2.858 3.014 1.00 8.00 H new ATOM 221 P DT A 8 5.734 4.991 -2.206 1.00 8.00 P ATOM 222 OP1 DT A 8 7.027 4.652 -1.553 1.00 8.00 O ATOM 223 OP2 DT A 8 5.304 6.399 -2.254 1.00 8.00 O ATOM 224 O5' DT A 8 5.743 4.415 -3.699 1.00 8.00 O ATOM 225 C5' DT A 8 6.452 3.243 -4.050 1.00 8.00 C ATOM 226 C4' DT A 8 6.098 2.768 -5.465 1.00 8.00 C ATOM 227 O4' DT A 8 4.741 2.354 -5.512 1.00 8.00 O ATOM 228 C3' DT A 8 6.302 3.928 -6.440 1.00 8.00 C ATOM 229 O3' DT A 8 6.966 3.585 -7.644 1.00 8.00 O ATOM 230 C2' DT A 8 4.876 4.429 -6.585 1.00 8.00 C ATOM 231 C1' DT A 8 4.039 3.176 -6.415 1.00 8.00 C ATOM 232 N1 DT A 8 2.736 3.571 -5.863 1.00 8.00 N ATOM 233 C2 DT A 8 1.714 3.856 -6.745 1.00 8.00 C ATOM 234 O2 DT A 8 1.846 3.779 -7.968 1.00 8.00 O ATOM 235 N3 DT A 8 0.533 4.278 -6.194 1.00 8.00 N ATOM 236 C4 DT A 8 0.300 4.467 -4.850 1.00 8.00 C ATOM 237 O4 DT A 8 -0.817 4.828 -4.503 1.00 8.00 O ATOM 238 C5 DT A 8 1.440 4.209 -3.981 1.00 8.00 C ATOM 239 C7 DT A 8 1.326 4.358 -2.467 1.00 8.00 C ATOM 240 C6 DT A 8 2.610 3.788 -4.522 1.00 8.00 C ATOM 0 H5' DT A 8 6.226 2.453 -3.334 1.00 8.00 H new ATOM 0 H5'' DT A 8 7.523 3.433 -3.987 1.00 8.00 H new ATOM 0 H4' DT A 8 6.738 1.928 -5.737 1.00 8.00 H new ATOM 0 H3' DT A 8 6.992 4.695 -6.089 1.00 8.00 H new ATOM 0 H2' DT A 8 4.635 5.177 -5.830 1.00 8.00 H new ATOM 0 H2'' DT A 8 4.711 4.893 -7.558 1.00 8.00 H new ATOM 0 H1' DT A 8 3.870 2.646 -7.352 1.00 8.00 H new ATOM 0 H3 DT A 8 -0.239 4.468 -6.833 1.00 8.00 H new ATOM 0 H71 DT A 8 2.012 3.664 -1.980 1.00 8.00 H new ATOM 0 H72 DT A 8 1.580 5.379 -2.182 1.00 8.00 H new ATOM 0 H73 DT A 8 0.305 4.137 -2.156 1.00 8.00 H new ATOM 0 H6 DT A 8 3.460 3.621 -3.877 1.00 8.00 H new TER 253 DT A 8 ATOM 254 P DC B 1 -7.084 -4.193 -7.969 1.00 8.00 P ATOM 255 OP1 DC B 1 -7.347 -4.930 -9.215 1.00 8.00 O ATOM 256 OP2 DC B 1 -6.380 -2.892 -8.035 1.00 8.00 O ATOM 257 O5' DC B 1 -8.466 -3.981 -7.212 1.00 8.00 O ATOM 258 C5' DC B 1 -9.360 -2.939 -7.568 1.00 8.00 C ATOM 259 C4' DC B 1 -10.623 -2.960 -6.682 1.00 8.00 C ATOM 260 O4' DC B 1 -11.527 -3.955 -7.140 1.00 8.00 O ATOM 261 C3' DC B 1 -10.246 -3.328 -5.252 1.00 8.00 C ATOM 262 O3' DC B 1 -11.075 -2.846 -4.202 1.00 8.00 O ATOM 263 C2' DC B 1 -10.451 -4.805 -5.212 1.00 8.00 C ATOM 264 C1' DC B 1 -11.648 -4.958 -6.146 1.00 8.00 C ATOM 265 N1 DC B 1 -11.612 -6.291 -6.777 1.00 8.00 N ATOM 266 C2 DC B 1 -12.590 -7.219 -6.455 1.00 8.00 C ATOM 267 O2 DC B 1 -13.479 -6.945 -5.657 1.00 8.00 O ATOM 268 N3 DC B 1 -12.547 -8.449 -7.020 1.00 8.00 N ATOM 269 C4 DC B 1 -11.574 -8.745 -7.858 1.00 8.00 C ATOM 270 N4 DC B 1 -11.594 -9.960 -8.355 1.00 8.00 N ATOM 271 C5 DC B 1 -10.532 -7.840 -8.190 1.00 8.00 C ATOM 272 C6 DC B 1 -10.594 -6.615 -7.626 1.00 8.00 C ATOM 0 H5' DC B 1 -9.645 -3.043 -8.615 1.00 8.00 H new ATOM 0 H5'' DC B 1 -8.859 -1.976 -7.468 1.00 8.00 H new ATOM 0 H4' DC B 1 -11.080 -1.972 -6.726 1.00 8.00 H new ATOM 0 H3' DC B 1 -9.256 -2.909 -5.075 1.00 8.00 H new ATOM 0 H2' DC B 1 -9.578 -5.352 -5.567 1.00 8.00 H new ATOM 0 H2'' DC B 1 -10.665 -5.165 -4.205 1.00 8.00 H new ATOM 0 H1' DC B 1 -12.588 -4.858 -5.603 1.00 8.00 H new ATOM 0 H41 DC B 1 -10.870 -10.255 -9.010 1.00 8.00 H new ATOM 0 H42 DC B 1 -12.334 -10.609 -8.086 1.00 8.00 H new ATOM 0 H5 DC B 1 -9.731 -8.117 -8.859 1.00 8.00 H new ATOM 0 H6 DC B 1 -9.831 -5.884 -7.849 1.00 8.00 H new ATOM 284 P DA B 2 -10.487 -2.783 -2.698 1.00 8.00 P ATOM 285 OP1 DA B 2 -10.015 -4.095 -2.159 1.00 8.00 O ATOM 286 OP2 DA B 2 -11.238 -1.863 -1.815 1.00 8.00 O ATOM 287 O5' DA B 2 -9.217 -1.968 -3.103 1.00 8.00 O ATOM 288 C5' DA B 2 -9.434 -0.769 -3.800 1.00 8.00 C ATOM 289 C4' DA B 2 -8.452 0.231 -3.226 1.00 8.00 C ATOM 290 O4' DA B 2 -7.224 -0.365 -3.587 1.00 8.00 O ATOM 291 C3' DA B 2 -8.447 1.601 -3.919 1.00 8.00 C ATOM 292 O3' DA B 2 -9.059 2.663 -3.193 1.00 8.00 O ATOM 293 C2' DA B 2 -6.988 1.855 -4.297 1.00 8.00 C ATOM 294 C1' DA B 2 -6.262 0.620 -3.770 1.00 8.00 C ATOM 295 N9 DA B 2 -5.275 0.079 -4.701 1.00 8.00 N ATOM 296 C8 DA B 2 -5.406 -0.190 -6.034 1.00 8.00 C ATOM 297 N7 DA B 2 -4.303 -0.628 -6.592 1.00 8.00 N ATOM 298 C5 DA B 2 -3.438 -0.774 -5.498 1.00 8.00 C ATOM 299 C6 DA B 2 -2.158 -1.325 -5.309 1.00 8.00 C ATOM 300 N6 DA B 2 -1.386 -1.735 -6.301 1.00 8.00 N ATOM 301 N1 DA B 2 -1.670 -1.497 -4.080 1.00 8.00 N ATOM 302 C2 DA B 2 -2.407 -1.110 -3.050 1.00 8.00 C ATOM 303 N3 DA B 2 -3.601 -0.558 -3.079 1.00 8.00 N ATOM 304 C4 DA B 2 -4.067 -0.434 -4.338 1.00 8.00 C ATOM 0 H5' DA B 2 -10.460 -0.425 -3.674 1.00 8.00 H new ATOM 0 H5'' DA B 2 -9.273 -0.905 -4.869 1.00 8.00 H new ATOM 0 H4' DA B 2 -8.670 0.415 -2.174 1.00 8.00 H new ATOM 0 H3' DA B 2 -9.090 1.577 -4.799 1.00 8.00 H new ATOM 0 H2' DA B 2 -6.866 1.963 -5.375 1.00 8.00 H new ATOM 0 H2'' DA B 2 -6.608 2.769 -3.840 1.00 8.00 H new ATOM 0 H1' DA B 2 -5.736 0.909 -2.860 1.00 8.00 H new ATOM 0 H8 DA B 2 -6.330 -0.055 -6.577 1.00 8.00 H new ATOM 0 H61 DA B 2 -0.465 -2.127 -6.102 1.00 8.00 H new ATOM 0 H62 DA B 2 -1.711 -1.659 -7.265 1.00 8.00 H new ATOM 0 H2 DA B 2 -1.978 -1.266 -2.071 1.00 8.00 H new ATOM 316 P DT B 3 -8.802 2.971 -1.635 1.00 8.00 P ATOM 317 OP1 DT B 3 -9.443 1.924 -0.786 1.00 8.00 O ATOM 318 OP2 DT B 3 -9.119 4.386 -1.339 1.00 8.00 O ATOM 319 O5' DT B 3 -7.222 2.863 -1.490 1.00 8.00 O ATOM 320 C5' DT B 3 -6.589 2.022 -0.551 1.00 8.00 C ATOM 321 C4' DT B 3 -5.143 2.457 -0.315 1.00 8.00 C ATOM 322 O4' DT B 3 -4.306 1.863 -1.274 1.00 8.00 O ATOM 323 C3' DT B 3 -4.924 3.974 -0.434 1.00 8.00 C ATOM 324 O3' DT B 3 -4.847 4.545 0.854 1.00 8.00 O ATOM 325 C2' DT B 3 -3.610 4.079 -1.212 1.00 8.00 C ATOM 326 C1' DT B 3 -3.139 2.634 -1.365 1.00 8.00 C ATOM 327 N1 DT B 3 -2.611 2.409 -2.719 1.00 8.00 N ATOM 328 C2 DT B 3 -1.362 1.855 -2.869 1.00 8.00 C ATOM 329 O2 DT B 3 -0.633 1.555 -1.936 1.00 8.00 O ATOM 330 N3 DT B 3 -0.965 1.628 -4.159 1.00 8.00 N ATOM 331 C4 DT B 3 -1.631 1.963 -5.304 1.00 8.00 C ATOM 332 O4 DT B 3 -1.119 1.694 -6.387 1.00 8.00 O ATOM 333 C5 DT B 3 -2.922 2.581 -5.070 1.00 8.00 C ATOM 334 C7 DT B 3 -3.731 3.236 -6.167 1.00 8.00 C ATOM 335 C6 DT B 3 -3.361 2.748 -3.807 1.00 8.00 C ATOM 0 H5' DT B 3 -6.609 0.992 -0.908 1.00 8.00 H new ATOM 0 H5'' DT B 3 -7.138 2.044 0.391 1.00 8.00 H new ATOM 0 H4' DT B 3 -4.912 2.146 0.704 1.00 8.00 H new ATOM 0 H3' DT B 3 -5.729 4.510 -0.937 1.00 8.00 H new ATOM 0 H2' DT B 3 -3.760 4.552 -2.182 1.00 8.00 H new ATOM 0 H2'' DT B 3 -2.877 4.680 -0.674 1.00 8.00 H new ATOM 0 H1' DT B 3 -2.374 2.396 -0.626 1.00 8.00 H new ATOM 0 H3 DT B 3 -0.070 1.155 -4.279 1.00 8.00 H new ATOM 0 H71 DT B 3 -4.793 3.148 -5.938 1.00 8.00 H new ATOM 0 H72 DT B 3 -3.462 4.290 -6.238 1.00 8.00 H new ATOM 0 H73 DT B 3 -3.522 2.743 -7.117 1.00 8.00 H new ATOM 0 H6 DT B 3 -4.344 3.166 -3.650 1.00 8.00 H new ATOM 348 P DT B 4 -6.172 5.138 1.547 1.00 8.00 P ATOM 349 OP1 DT B 4 -7.330 4.242 1.292 1.00 8.00 O ATOM 350 OP2 DT B 4 -6.370 6.510 1.037 1.00 8.00 O ATOM 351 O5' DT B 4 -5.897 5.156 3.122 1.00 8.00 O ATOM 352 C5' DT B 4 -6.397 4.109 3.933 1.00 8.00 C ATOM 353 C4' DT B 4 -5.876 4.109 5.377 1.00 8.00 C ATOM 354 O4' DT B 4 -4.510 3.736 5.360 1.00 8.00 O ATOM 355 C3' DT B 4 -5.990 5.512 5.999 1.00 8.00 C ATOM 356 O3' DT B 4 -6.448 5.595 7.346 1.00 8.00 O ATOM 357 C2' DT B 4 -4.576 6.026 5.778 1.00 8.00 C ATOM 358 C1' DT B 4 -3.735 4.769 5.915 1.00 8.00 C ATOM 359 N1 DT B 4 -2.485 4.926 5.164 1.00 8.00 N ATOM 360 C2 DT B 4 -1.326 5.203 5.865 1.00 8.00 C ATOM 361 O2 DT B 4 -1.306 5.436 7.075 1.00 8.00 O ATOM 362 N3 DT B 4 -0.169 5.260 5.138 1.00 8.00 N ATOM 363 C4 DT B 4 -0.072 5.062 3.783 1.00 8.00 C ATOM 364 O4 DT B 4 1.040 5.103 3.272 1.00 8.00 O ATOM 365 C5 DT B 4 -1.337 4.830 3.098 1.00 8.00 C ATOM 366 C7 DT B 4 -1.349 4.580 1.598 1.00 8.00 C ATOM 367 C6 DT B 4 -2.495 4.783 3.807 1.00 8.00 C ATOM 0 H5' DT B 4 -6.142 3.156 3.470 1.00 8.00 H new ATOM 0 H5'' DT B 4 -7.485 4.172 3.954 1.00 8.00 H new ATOM 0 H4' DT B 4 -6.469 3.411 5.968 1.00 8.00 H new ATOM 0 H3' DT B 4 -6.779 6.108 5.541 1.00 8.00 H new ATOM 0 H2' DT B 4 -4.461 6.484 4.796 1.00 8.00 H new ATOM 0 H2'' DT B 4 -4.300 6.780 6.515 1.00 8.00 H new ATOM 0 H1' DT B 4 -3.472 4.561 6.952 1.00 8.00 H new ATOM 0 H3 DT B 4 0.692 5.467 5.644 1.00 8.00 H new ATOM 0 H71 DT B 4 -2.191 3.936 1.343 1.00 8.00 H new ATOM 0 H72 DT B 4 -1.446 5.530 1.072 1.00 8.00 H new ATOM 0 H73 DT B 4 -0.419 4.095 1.303 1.00 8.00 H new ATOM 0 H6 DT B 4 -3.432 4.631 3.292 1.00 8.00 H new ATOM 380 P DC B 5 -5.668 5.002 8.620 1.00 8.00 P ATOM 381 OP1 DC B 5 -4.407 5.763 8.799 1.00 8.00 O ATOM 382 OP2 DC B 5 -5.585 3.535 8.482 1.00 8.00 O ATOM 383 O5' DC B 5 -6.583 5.322 9.896 1.00 8.00 O ATOM 384 C5' DC B 5 -7.996 5.291 9.854 1.00 8.00 C ATOM 385 C4' DC B 5 -8.654 3.913 9.866 1.00 8.00 C ATOM 386 O4' DC B 5 -9.922 4.070 10.478 1.00 8.00 O ATOM 387 C3' DC B 5 -9.060 3.418 8.478 1.00 8.00 C ATOM 388 O3' DC B 5 -9.589 2.114 8.517 1.00 8.00 O ATOM 389 C2' DC B 5 -10.195 4.382 8.150 1.00 8.00 C ATOM 390 C1' DC B 5 -10.714 4.780 9.541 1.00 8.00 C ATOM 391 N1 DC B 5 -12.133 4.440 9.692 1.00 8.00 N ATOM 392 C2 DC B 5 -13.092 5.432 9.812 1.00 8.00 C ATOM 393 O2 DC B 5 -12.772 6.614 9.830 1.00 8.00 O ATOM 394 N3 DC B 5 -14.397 5.073 9.898 1.00 8.00 N ATOM 395 C4 DC B 5 -14.725 3.795 9.857 1.00 8.00 C ATOM 396 N4 DC B 5 -16.008 3.525 9.927 1.00 8.00 N ATOM 397 C5 DC B 5 -13.771 2.752 9.705 1.00 8.00 C ATOM 398 C6 DC B 5 -12.478 3.135 9.630 1.00 8.00 C ATOM 0 H5' DC B 5 -8.321 5.815 8.955 1.00 8.00 H new ATOM 0 H5'' DC B 5 -8.374 5.856 10.706 1.00 8.00 H new ATOM 0 H4' DC B 5 -7.940 3.239 10.339 1.00 8.00 H new ATOM 0 H3' DC B 5 -8.227 3.389 7.776 1.00 8.00 H new ATOM 0 H2' DC B 5 -9.842 5.246 7.587 1.00 8.00 H new ATOM 0 H2'' DC B 5 -10.970 3.905 7.550 1.00 8.00 H new ATOM 0 H1' DC B 5 -10.637 5.856 9.694 1.00 8.00 H new ATOM 0 H41 DC B 5 -16.328 2.557 9.901 1.00 8.00 H new ATOM 0 H42 DC B 5 -16.685 4.284 10.008 1.00 8.00 H new ATOM 0 H5 DC B 5 -14.063 1.714 9.653 1.00 8.00 H new ATOM 0 H6 DC B 5 -11.708 2.386 9.519 1.00 8.00 H new ATOM 410 P DA B 6 -8.688 0.810 8.348 1.00 8.00 P ATOM 411 OP1 DA B 6 -9.553 -0.380 8.435 1.00 8.00 O ATOM 412 OP2 DA B 6 -7.481 0.921 9.203 1.00 8.00 O ATOM 413 O5' DA B 6 -8.194 0.942 6.833 1.00 8.00 O ATOM 414 C5' DA B 6 -9.076 1.330 5.808 1.00 8.00 C ATOM 415 C4' DA B 6 -8.671 0.740 4.462 1.00 8.00 C ATOM 416 O4' DA B 6 -7.356 1.157 4.155 1.00 8.00 O ATOM 417 C3' DA B 6 -8.696 -0.791 4.408 1.00 8.00 C ATOM 418 O3' DA B 6 -9.287 -1.311 3.227 1.00 8.00 O ATOM 419 C2' DA B 6 -7.239 -1.213 4.574 1.00 8.00 C ATOM 420 C1' DA B 6 -6.466 0.057 4.211 1.00 8.00 C ATOM 421 N9 DA B 6 -5.382 0.362 5.164 1.00 8.00 N ATOM 422 C8 DA B 6 -5.344 0.277 6.533 1.00 8.00 C ATOM 423 N7 DA B 6 -4.238 0.706 7.082 1.00 8.00 N ATOM 424 C5 DA B 6 -3.479 1.077 5.968 1.00 8.00 C ATOM 425 C6 DA B 6 -2.185 1.588 5.782 1.00 8.00 C ATOM 426 N6 DA B 6 -1.351 1.850 6.773 1.00 8.00 N ATOM 427 N1 DA B 6 -1.710 1.778 4.551 1.00 8.00 N ATOM 428 C2 DA B 6 -2.494 1.502 3.520 1.00 8.00 C ATOM 429 N3 DA B 6 -3.731 1.050 3.543 1.00 8.00 N ATOM 430 C4 DA B 6 -4.167 0.866 4.807 1.00 8.00 C ATOM 0 H5' DA B 6 -9.096 2.418 5.737 1.00 8.00 H new ATOM 0 H5'' DA B 6 -10.087 1.008 6.057 1.00 8.00 H new ATOM 0 H4' DA B 6 -9.408 1.101 3.745 1.00 8.00 H new ATOM 0 H3' DA B 6 -9.331 -1.199 5.195 1.00 8.00 H new ATOM 0 H2' DA B 6 -7.027 -1.537 5.593 1.00 8.00 H new ATOM 0 H2'' DA B 6 -6.982 -2.043 3.916 1.00 8.00 H new ATOM 0 H1' DA B 6 -6.006 -0.120 3.239 1.00 8.00 H new ATOM 0 H8 DA B 6 -6.166 -0.115 7.113 1.00 8.00 H new ATOM 0 H61 DA B 6 -0.422 2.221 6.573 1.00 8.00 H new ATOM 0 H62 DA B 6 -1.636 1.681 7.738 1.00 8.00 H new ATOM 0 H2 DA B 6 -2.067 1.668 2.542 1.00 8.00 H new ATOM 442 P DT B 7 -8.786 -0.950 1.751 1.00 8.00 P ATOM 443 OP1 DT B 7 -8.543 0.501 1.644 1.00 8.00 O ATOM 444 OP2 DT B 7 -9.757 -1.517 0.788 1.00 8.00 O ATOM 445 O5' DT B 7 -7.422 -1.759 1.523 1.00 8.00 O ATOM 446 C5' DT B 7 -6.543 -1.375 0.484 1.00 8.00 C ATOM 447 C4' DT B 7 -5.190 -2.099 0.451 1.00 8.00 C ATOM 448 O4' DT B 7 -4.396 -1.468 1.433 1.00 8.00 O ATOM 449 C3' DT B 7 -5.131 -3.604 0.777 1.00 8.00 C ATOM 450 O3' DT B 7 -4.998 -4.439 -0.358 1.00 8.00 O ATOM 451 C2' DT B 7 -3.852 -3.715 1.611 1.00 8.00 C ATOM 452 C1' DT B 7 -3.298 -2.292 1.693 1.00 8.00 C ATOM 453 N1 DT B 7 -2.852 -1.993 3.061 1.00 8.00 N ATOM 454 C2 DT B 7 -1.558 -1.563 3.255 1.00 8.00 C ATOM 455 O2 DT B 7 -0.770 -1.336 2.350 1.00 8.00 O ATOM 456 N3 DT B 7 -1.173 -1.399 4.555 1.00 8.00 N ATOM 457 C4 DT B 7 -1.899 -1.702 5.675 1.00 8.00 C ATOM 458 O4 DT B 7 -1.390 -1.514 6.776 1.00 8.00 O ATOM 459 C5 DT B 7 -3.232 -2.209 5.396 1.00 8.00 C ATOM 460 C7 DT B 7 -4.076 -2.892 6.455 1.00 8.00 C ATOM 461 C6 DT B 7 -3.659 -2.297 4.119 1.00 8.00 C ATOM 0 H5' DT B 7 -6.359 -0.304 0.567 1.00 8.00 H new ATOM 0 H5'' DT B 7 -7.045 -1.539 -0.470 1.00 8.00 H new ATOM 0 H4' DT B 7 -4.875 -2.034 -0.590 1.00 8.00 H new ATOM 0 H3' DT B 7 -6.052 -3.929 1.261 1.00 8.00 H new ATOM 0 H2' DT B 7 -4.063 -4.113 2.604 1.00 8.00 H new ATOM 0 H2'' DT B 7 -3.135 -4.390 1.143 1.00 8.00 H new ATOM 0 H1' DT B 7 -2.461 -2.156 1.008 1.00 8.00 H new ATOM 0 H3 DT B 7 -0.243 -1.008 4.708 1.00 8.00 H new ATOM 0 H71 DT B 7 -5.132 -2.716 6.248 1.00 8.00 H new ATOM 0 H72 DT B 7 -3.877 -3.964 6.443 1.00 8.00 H new ATOM 0 H73 DT B 7 -3.826 -2.488 7.436 1.00 8.00 H new ATOM 0 H6 DT B 7 -4.672 -2.618 3.928 1.00 8.00 H new ATOM 474 P DT B 8 -6.270 -4.793 -1.264 1.00 8.00 P ATOM 475 OP1 DT B 8 -7.359 -3.836 -1.008 1.00 8.00 O ATOM 476 OP2 DT B 8 -6.685 -6.204 -1.134 1.00 8.00 O ATOM 477 O5' DT B 8 -5.850 -4.649 -2.796 1.00 8.00 O ATOM 478 C5' DT B 8 -6.038 -3.463 -3.533 1.00 8.00 C ATOM 479 C4' DT B 8 -5.745 -3.634 -5.048 1.00 8.00 C ATOM 480 O4' DT B 8 -4.361 -3.452 -5.307 1.00 8.00 O ATOM 481 C3' DT B 8 -6.095 -5.022 -5.601 1.00 8.00 C ATOM 482 O3' DT B 8 -6.188 -5.135 -7.017 1.00 8.00 O ATOM 483 C2' DT B 8 -4.805 -5.768 -5.278 1.00 8.00 C ATOM 484 C1' DT B 8 -3.768 -4.700 -5.603 1.00 8.00 C ATOM 485 N1 DT B 8 -2.537 -4.873 -4.810 1.00 8.00 N ATOM 486 C2 DT B 8 -1.369 -5.244 -5.452 1.00 8.00 C ATOM 487 O2 DT B 8 -1.277 -5.376 -6.666 1.00 8.00 O ATOM 488 N3 DT B 8 -0.276 -5.467 -4.656 1.00 8.00 N ATOM 489 C4 DT B 8 -0.229 -5.302 -3.292 1.00 8.00 C ATOM 490 O4 DT B 8 0.835 -5.506 -2.718 1.00 8.00 O ATOM 491 C5 DT B 8 -1.477 -4.863 -2.683 1.00 8.00 C ATOM 492 C7 DT B 8 -1.576 -4.614 -1.184 1.00 8.00 C ATOM 493 C6 DT B 8 -2.570 -4.670 -3.460 1.00 8.00 C ATOM 0 H5' DT B 8 -5.390 -2.685 -3.129 1.00 8.00 H new ATOM 0 H5'' DT B 8 -7.065 -3.121 -3.404 1.00 8.00 H new ATOM 0 H4' DT B 8 -6.371 -2.886 -5.534 1.00 8.00 H new ATOM 0 H3' DT B 8 -7.056 -5.342 -5.198 1.00 8.00 H new ATOM 0 H2' DT B 8 -4.760 -6.084 -4.236 1.00 8.00 H new ATOM 0 H2'' DT B 8 -4.681 -6.663 -5.888 1.00 8.00 H new ATOM 0 H1' DT B 8 -3.478 -4.771 -6.651 1.00 8.00 H new ATOM 0 H3 DT B 8 0.578 -5.783 -5.116 1.00 8.00 H new ATOM 0 H71 DT B 8 -2.318 -3.839 -0.992 1.00 8.00 H new ATOM 0 H72 DT B 8 -1.874 -5.534 -0.681 1.00 8.00 H new ATOM 0 H73 DT B 8 -0.607 -4.290 -0.804 1.00 8.00 H new ATOM 0 H6 DT B 8 -3.492 -4.347 -2.999 1.00 8.00 H new TER 506 DT B 8