USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 182 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 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.87! (180deg=-1.87!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl -30:sc= -1.61 (180deg=-1.76!) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 4.943 -10.118 -0.809 1.00 0.00 O ATOM 2 C5' DC A 1 4.083 -9.015 -0.995 1.00 0.00 C ATOM 3 C4' DC A 1 4.333 -7.940 0.069 1.00 0.00 C ATOM 4 O4' DC A 1 3.391 -6.888 -0.092 1.00 0.00 O ATOM 5 C3' DC A 1 4.113 -8.440 1.506 1.00 0.00 C ATOM 6 O3' DC A 1 5.196 -9.056 2.201 1.00 0.00 O ATOM 7 C2' DC A 1 3.555 -7.191 2.231 1.00 0.00 C ATOM 8 C1' DC A 1 3.363 -6.147 1.114 1.00 0.00 C ATOM 9 N1 DC A 1 2.142 -5.305 1.264 1.00 0.00 N ATOM 10 C2 DC A 1 2.212 -3.906 1.278 1.00 0.00 C ATOM 11 O2 DC A 1 3.281 -3.310 1.173 1.00 0.00 O ATOM 12 N3 DC A 1 1.049 -3.197 1.412 1.00 0.00 N ATOM 13 C4 DC A 1 -0.135 -3.820 1.533 1.00 0.00 C ATOM 14 N4 DC A 1 -1.248 -3.092 1.674 1.00 0.00 N ATOM 15 C5 DC A 1 -0.229 -5.250 1.475 1.00 0.00 C ATOM 16 C6 DC A 1 0.933 -5.927 1.336 1.00 0.00 C ATOM 0 H5' DC A 1 3.045 -9.346 -0.947 1.00 0.00 H new ATOM 0 H5'' DC A 1 4.237 -8.592 -1.988 1.00 0.00 H new ATOM 0 H4' DC A 1 5.370 -7.634 -0.067 1.00 0.00 H new ATOM 0 H3' DC A 1 3.446 -9.302 1.481 1.00 0.00 H new ATOM 0 H2' DC A 1 2.613 -7.412 2.733 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.247 -6.833 2.994 1.00 0.00 H new ATOM 0 HO5' DC A 1 4.765 -10.792 -1.498 1.00 0.00 H new ATOM 0 H1' DC A 1 4.156 -5.400 1.145 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.152 -3.555 1.767 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.193 -2.074 1.689 1.00 0.00 H new ATOM 0 H5 DC A 1 -1.179 -5.760 1.539 1.00 0.00 H new ATOM 0 H6 DC A 1 0.901 -7.005 1.280 1.00 0.00 H new ATOM 29 P DG A 2 6.722 -8.495 2.309 1.00 0.00 P ATOM 30 OP1 DG A 2 7.317 -8.487 0.955 1.00 0.00 O ATOM 31 OP2 DG A 2 7.387 -9.278 3.375 1.00 0.00 O ATOM 32 O5' DG A 2 6.635 -6.968 2.839 1.00 0.00 O ATOM 33 C5' DG A 2 7.160 -5.899 2.074 1.00 0.00 C ATOM 34 C4' DG A 2 7.162 -4.569 2.809 1.00 0.00 C ATOM 35 O4' DG A 2 5.846 -4.044 2.799 1.00 0.00 O ATOM 36 C3' DG A 2 7.662 -4.629 4.262 1.00 0.00 C ATOM 37 O3' DG A 2 8.624 -3.605 4.403 1.00 0.00 O ATOM 38 C2' DG A 2 6.333 -4.434 4.987 1.00 0.00 C ATOM 39 C1' DG A 2 5.638 -3.455 4.054 1.00 0.00 C ATOM 40 N9 DG A 2 4.194 -3.311 4.350 1.00 0.00 N ATOM 41 C8 DG A 2 3.327 -4.287 4.767 1.00 0.00 C ATOM 42 N7 DG A 2 2.078 -3.927 4.793 1.00 0.00 N ATOM 43 C5 DG A 2 2.118 -2.593 4.411 1.00 0.00 C ATOM 44 C6 DG A 2 1.050 -1.664 4.256 1.00 0.00 C ATOM 45 O6 DG A 2 -0.153 -1.899 4.305 1.00 0.00 O ATOM 46 N1 DG A 2 1.498 -0.366 4.024 1.00 0.00 N ATOM 47 C2 DG A 2 2.827 -0.025 3.858 1.00 0.00 C ATOM 48 N2 DG A 2 3.095 1.270 3.655 1.00 0.00 N ATOM 49 N3 DG A 2 3.830 -0.922 3.894 1.00 0.00 N ATOM 50 C4 DG A 2 3.413 -2.186 4.190 1.00 0.00 C ATOM 0 H5' DG A 2 6.577 -5.798 1.158 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.180 -6.142 1.777 1.00 0.00 H new ATOM 0 H4' DG A 2 7.870 -3.933 2.278 1.00 0.00 H new ATOM 0 H3' DG A 2 8.175 -5.518 4.631 1.00 0.00 H new ATOM 0 H2' DG A 2 5.780 -5.367 5.093 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.465 -4.026 5.989 1.00 0.00 H new ATOM 0 H1' DG A 2 6.026 -2.440 4.140 1.00 0.00 H new ATOM 0 H8 DG A 2 3.655 -5.276 5.051 1.00 0.00 H new ATOM 0 H1 DG A 2 0.803 0.379 3.973 1.00 0.00 H new ATOM 0 H21 DG A 2 4.059 1.577 3.526 1.00 0.00 H new ATOM 0 H22 DG A 2 2.335 1.950 3.629 1.00 0.00 H new ATOM 62 P DC A 3 9.173 -3.090 5.820 1.00 0.00 P ATOM 63 OP1 DC A 3 10.612 -2.770 5.681 1.00 0.00 O ATOM 64 OP2 DC A 3 8.714 -3.995 6.897 1.00 0.00 O ATOM 65 O5' DC A 3 8.341 -1.719 5.893 1.00 0.00 O ATOM 66 C5' DC A 3 8.577 -0.685 4.954 1.00 0.00 C ATOM 67 C4' DC A 3 7.835 0.582 5.365 1.00 0.00 C ATOM 68 O4' DC A 3 6.441 0.365 5.286 1.00 0.00 O ATOM 69 C3' DC A 3 8.191 1.020 6.793 1.00 0.00 C ATOM 70 O3' DC A 3 8.685 2.347 6.721 1.00 0.00 O ATOM 71 C2' DC A 3 6.882 0.849 7.542 1.00 0.00 C ATOM 72 C1' DC A 3 5.829 0.887 6.445 1.00 0.00 C ATOM 73 N1 DC A 3 4.701 -0.003 6.824 1.00 0.00 N ATOM 74 C2 DC A 3 3.429 0.527 7.021 1.00 0.00 C ATOM 75 O2 DC A 3 3.201 1.724 6.874 1.00 0.00 O ATOM 76 N3 DC A 3 2.428 -0.324 7.385 1.00 0.00 N ATOM 77 C4 DC A 3 2.651 -1.630 7.588 1.00 0.00 C ATOM 78 N4 DC A 3 1.626 -2.427 7.897 1.00 0.00 N ATOM 79 C5 DC A 3 3.964 -2.180 7.444 1.00 0.00 C ATOM 80 C6 DC A 3 4.937 -1.340 7.036 1.00 0.00 C ATOM 0 H5' DC A 3 8.249 -1.002 3.964 1.00 0.00 H new ATOM 0 H5'' DC A 3 9.646 -0.483 4.886 1.00 0.00 H new ATOM 0 H4' DC A 3 8.139 1.374 4.680 1.00 0.00 H new ATOM 0 H3' DC A 3 8.972 0.457 7.303 1.00 0.00 H new ATOM 0 H2' DC A 3 6.855 -0.093 8.090 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.730 1.646 8.270 1.00 0.00 H new ATOM 0 H1' DC A 3 5.455 1.899 6.287 1.00 0.00 H new ATOM 0 H41 DC A 3 1.783 -3.423 8.054 1.00 0.00 H new ATOM 0 H42 DC A 3 0.685 -2.041 7.976 1.00 0.00 H new ATOM 0 H5 DC A 3 4.167 -3.220 7.652 1.00 0.00 H new ATOM 0 H6 DC A 3 5.931 -1.730 6.871 1.00 0.00 H new ATOM 92 P DT A 4 9.074 3.214 8.020 1.00 0.00 P ATOM 93 OP1 DT A 4 9.897 4.363 7.581 1.00 0.00 O ATOM 94 OP2 DT A 4 9.578 2.300 9.068 1.00 0.00 O ATOM 95 O5' DT A 4 7.634 3.768 8.477 1.00 0.00 O ATOM 96 C5' DT A 4 6.829 4.551 7.615 1.00 0.00 C ATOM 97 C4' DT A 4 5.568 5.006 8.357 1.00 0.00 C ATOM 98 O4' DT A 4 4.698 3.905 8.544 1.00 0.00 O ATOM 99 C3' DT A 4 5.871 5.622 9.727 1.00 0.00 C ATOM 100 O3' DT A 4 5.446 6.973 9.765 1.00 0.00 O ATOM 101 C2' DT A 4 5.127 4.699 10.696 1.00 0.00 C ATOM 102 C1' DT A 4 4.090 4.004 9.815 1.00 0.00 C ATOM 103 N1 DT A 4 3.705 2.632 10.267 1.00 0.00 N ATOM 104 C2 DT A 4 2.349 2.306 10.323 1.00 0.00 C ATOM 105 O2 DT A 4 1.449 3.140 10.256 1.00 0.00 O ATOM 106 N3 DT A 4 2.043 0.959 10.462 1.00 0.00 N ATOM 107 C4 DT A 4 2.951 -0.088 10.545 1.00 0.00 C ATOM 108 O4 DT A 4 2.540 -1.240 10.670 1.00 0.00 O ATOM 109 C5 DT A 4 4.345 0.324 10.470 1.00 0.00 C ATOM 110 C7 DT A 4 5.457 -0.721 10.431 1.00 0.00 C ATOM 111 C6 DT A 4 4.660 1.640 10.353 1.00 0.00 C ATOM 0 H5' DT A 4 6.555 3.972 6.733 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.390 5.418 7.266 1.00 0.00 H new ATOM 0 H4' DT A 4 5.104 5.774 7.738 1.00 0.00 H new ATOM 0 H3' DT A 4 6.930 5.677 9.979 1.00 0.00 H new ATOM 0 H2' DT A 4 5.802 3.981 11.162 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.655 5.262 11.501 1.00 0.00 H new ATOM 0 H1' DT A 4 3.166 4.582 9.838 1.00 0.00 H new ATOM 0 H3 DT A 4 1.054 0.714 10.508 1.00 0.00 H new ATOM 0 H71 DT A 4 6.305 -0.329 9.869 1.00 0.00 H new ATOM 0 H72 DT A 4 5.773 -0.955 11.448 1.00 0.00 H new ATOM 0 H73 DT A 4 5.089 -1.626 9.948 1.00 0.00 H new ATOM 0 H6 DT A 4 5.702 1.922 10.326 1.00 0.00 H new ATOM 124 P DA A 5 5.619 7.900 11.080 1.00 0.00 P ATOM 125 OP1 DA A 5 5.822 9.299 10.643 1.00 0.00 O ATOM 126 OP2 DA A 5 6.591 7.263 11.997 1.00 0.00 O ATOM 127 O5' DA A 5 4.151 7.777 11.728 1.00 0.00 O ATOM 128 C5' DA A 5 3.037 8.324 11.055 1.00 0.00 C ATOM 129 C4' DA A 5 1.727 7.940 11.721 1.00 0.00 C ATOM 130 O4' DA A 5 1.586 6.538 11.785 1.00 0.00 O ATOM 131 C3' DA A 5 1.585 8.516 13.135 1.00 0.00 C ATOM 132 O3' DA A 5 0.464 9.374 13.087 1.00 0.00 O ATOM 133 C2' DA A 5 1.534 7.267 14.001 1.00 0.00 C ATOM 134 C1' DA A 5 1.023 6.212 13.036 1.00 0.00 C ATOM 135 N9 DA A 5 1.444 4.833 13.364 1.00 0.00 N ATOM 136 C8 DA A 5 2.707 4.333 13.580 1.00 0.00 C ATOM 137 N7 DA A 5 2.761 3.031 13.667 1.00 0.00 N ATOM 138 C5 DA A 5 1.438 2.635 13.502 1.00 0.00 C ATOM 139 C6 DA A 5 0.795 1.379 13.479 1.00 0.00 C ATOM 140 N6 DA A 5 1.445 0.214 13.610 1.00 0.00 N ATOM 141 N1 DA A 5 -0.540 1.355 13.310 1.00 0.00 N ATOM 142 C2 DA A 5 -1.198 2.501 13.143 1.00 0.00 C ATOM 143 N3 DA A 5 -0.709 3.732 13.107 1.00 0.00 N ATOM 144 C4 DA A 5 0.633 3.730 13.305 1.00 0.00 C ATOM 0 H5' DA A 5 3.033 7.980 10.021 1.00 0.00 H new ATOM 0 H5'' DA A 5 3.126 9.410 11.029 1.00 0.00 H new ATOM 0 H4' DA A 5 0.941 8.369 11.100 1.00 0.00 H new ATOM 0 H3' DA A 5 2.371 9.147 13.549 1.00 0.00 H new ATOM 0 H2' DA A 5 2.516 7.010 14.399 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.867 7.393 14.854 1.00 0.00 H new ATOM 0 H1' DA A 5 -0.067 6.219 13.068 1.00 0.00 H new ATOM 0 H8 DA A 5 3.579 4.963 13.670 1.00 0.00 H new ATOM 0 H61 DA A 5 0.927 -0.664 13.586 1.00 0.00 H new ATOM 0 H62 DA A 5 2.457 0.206 13.734 1.00 0.00 H new ATOM 0 H2 DA A 5 -2.268 2.416 13.021 1.00 0.00 H new ATOM 156 P DG A 6 -0.103 10.148 14.368 1.00 0.00 P ATOM 157 OP1 DG A 6 -0.836 11.352 13.919 1.00 0.00 O ATOM 158 OP2 DG A 6 0.960 10.254 15.393 1.00 0.00 O ATOM 159 O5' DG A 6 -1.155 9.037 14.820 1.00 0.00 O ATOM 160 C5' DG A 6 -2.275 8.714 14.018 1.00 0.00 C ATOM 161 C4' DG A 6 -3.008 7.545 14.669 1.00 0.00 C ATOM 162 O4' DG A 6 -2.257 6.339 14.515 1.00 0.00 O ATOM 163 C3' DG A 6 -3.177 7.818 16.175 1.00 0.00 C ATOM 164 O3' DG A 6 -4.514 7.658 16.601 1.00 0.00 O ATOM 165 C2' DG A 6 -2.218 6.781 16.728 1.00 0.00 C ATOM 166 C1' DG A 6 -2.353 5.646 15.740 1.00 0.00 C ATOM 167 N9 DG A 6 -1.329 4.611 16.015 1.00 0.00 N ATOM 168 C8 DG A 6 0.006 4.758 16.308 1.00 0.00 C ATOM 169 N7 DG A 6 0.630 3.644 16.556 1.00 0.00 N ATOM 170 C5 DG A 6 -0.368 2.685 16.463 1.00 0.00 C ATOM 171 C6 DG A 6 -0.295 1.278 16.661 1.00 0.00 C ATOM 172 O6 DG A 6 0.710 0.602 16.857 1.00 0.00 O ATOM 173 N1 DG A 6 -1.547 0.672 16.613 1.00 0.00 N ATOM 174 C2 DG A 6 -2.732 1.335 16.363 1.00 0.00 C ATOM 175 N2 DG A 6 -3.857 0.613 16.411 1.00 0.00 N ATOM 176 N3 DG A 6 -2.794 2.654 16.124 1.00 0.00 N ATOM 177 C4 DG A 6 -1.581 3.270 16.192 1.00 0.00 C ATOM 0 H5' DG A 6 -1.956 8.449 13.010 1.00 0.00 H new ATOM 0 H5'' DG A 6 -2.938 9.575 13.927 1.00 0.00 H new ATOM 0 H4' DG A 6 -3.980 7.437 14.188 1.00 0.00 H new ATOM 0 H3' DG A 6 -2.963 8.836 16.501 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.196 7.158 16.775 1.00 0.00 H new ATOM 0 H2'' DG A 6 -2.491 6.474 17.738 1.00 0.00 H new ATOM 0 H1' DG A 6 -3.270 5.058 15.771 1.00 0.00 H new ATOM 0 H8 DG A 6 0.497 5.720 16.330 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.592 -0.334 16.774 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.757 1.059 16.233 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.815 -0.383 16.625 1.00 0.00 H new ATOM 189 P DC A 7 -4.951 7.834 18.153 1.00 0.00 P ATOM 190 OP1 DC A 7 -6.243 8.554 18.193 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.803 8.335 18.941 1.00 0.00 O ATOM 192 O5' DC A 7 -5.211 6.293 18.549 1.00 0.00 O ATOM 193 C5' DC A 7 -6.116 5.541 17.773 1.00 0.00 C ATOM 194 C4' DC A 7 -6.446 4.156 18.319 1.00 0.00 C ATOM 195 O4' DC A 7 -5.351 3.285 18.127 1.00 0.00 O ATOM 196 C3' DC A 7 -6.860 4.163 19.791 1.00 0.00 C ATOM 197 O3' DC A 7 -8.052 3.408 19.929 1.00 0.00 O ATOM 198 C2' DC A 7 -5.636 3.541 20.431 1.00 0.00 C ATOM 199 C1' DC A 7 -5.057 2.644 19.344 1.00 0.00 C ATOM 200 N1 DC A 7 -3.580 2.569 19.478 1.00 0.00 N ATOM 201 C2 DC A 7 -2.945 1.352 19.742 1.00 0.00 C ATOM 202 O2 DC A 7 -3.580 0.307 19.873 1.00 0.00 O ATOM 203 N3 DC A 7 -1.584 1.344 19.851 1.00 0.00 N ATOM 204 C4 DC A 7 -0.869 2.475 19.725 1.00 0.00 C ATOM 205 N4 DC A 7 0.463 2.416 19.796 1.00 0.00 N ATOM 206 C5 DC A 7 -1.506 3.727 19.441 1.00 0.00 C ATOM 207 C6 DC A 7 -2.846 3.718 19.313 1.00 0.00 C ATOM 0 H5' DC A 7 -5.704 5.430 16.770 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.043 6.106 17.676 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.310 3.801 17.757 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.102 5.126 20.241 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.920 4.302 20.742 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.900 2.969 21.320 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.468 1.636 19.406 1.00 0.00 H new ATOM 0 H41 DC A 7 1.017 3.267 19.702 1.00 0.00 H new ATOM 0 H42 DC A 7 0.927 1.520 19.944 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.936 4.638 19.334 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.357 4.639 19.074 1.00 0.00 H new ATOM 219 P DG A 8 -8.848 3.278 21.327 1.00 0.00 P ATOM 220 OP1 DG A 8 -10.193 2.730 21.046 1.00 0.00 O ATOM 221 OP2 DG A 8 -8.713 4.549 22.073 1.00 0.00 O ATOM 222 O5' DG A 8 -7.998 2.150 22.096 1.00 0.00 O ATOM 223 C5' DG A 8 -7.875 0.842 21.573 1.00 0.00 C ATOM 224 C4' DG A 8 -6.962 -0.012 22.457 1.00 0.00 C ATOM 225 O4' DG A 8 -5.607 0.274 22.149 1.00 0.00 O ATOM 226 C3' DG A 8 -7.144 0.211 23.970 1.00 0.00 C ATOM 227 O3' DG A 8 -7.271 -1.018 24.654 1.00 0.00 O ATOM 228 C2' DG A 8 -5.839 0.893 24.362 1.00 0.00 C ATOM 229 C1' DG A 8 -4.888 0.254 23.361 1.00 0.00 C ATOM 230 N9 DG A 8 -3.590 0.951 23.242 1.00 0.00 N ATOM 231 C8 DG A 8 -3.320 2.296 23.183 1.00 0.00 C ATOM 232 N7 DG A 8 -2.053 2.573 23.031 1.00 0.00 N ATOM 233 C5 DG A 8 -1.434 1.326 22.992 1.00 0.00 C ATOM 234 C6 DG A 8 -0.057 0.974 22.834 1.00 0.00 C ATOM 235 O6 DG A 8 0.907 1.721 22.690 1.00 0.00 O ATOM 236 N1 DG A 8 0.148 -0.405 22.855 1.00 0.00 N ATOM 237 C2 DG A 8 -0.856 -1.340 23.021 1.00 0.00 C ATOM 238 N2 DG A 8 -0.500 -2.627 23.036 1.00 0.00 N ATOM 239 N3 DG A 8 -2.149 -1.012 23.152 1.00 0.00 N ATOM 240 C4 DG A 8 -2.371 0.330 23.127 1.00 0.00 C ATOM 0 H5' DG A 8 -7.472 0.886 20.561 1.00 0.00 H new ATOM 0 H5'' DG A 8 -8.859 0.379 21.504 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.237 -1.045 22.242 1.00 0.00 H new ATOM 0 H3' DG A 8 -8.038 0.785 24.213 1.00 0.00 H new ATOM 0 H2' DG A 8 -5.888 1.977 24.255 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.556 0.687 25.394 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.384 -0.849 25.613 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.603 -0.750 23.674 1.00 0.00 H new ATOM 0 H8 DG A 8 -4.085 3.055 23.256 1.00 0.00 H new ATOM 0 H1 DG A 8 1.102 -0.746 22.740 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.209 -3.351 23.156 1.00 0.00 H new ATOM 0 H22 DG A 8 0.481 -2.886 22.927 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 6.849 -6.374 25.997 1.00 0.00 O ATOM 255 C5' DC B 1 7.257 -6.490 24.651 1.00 0.00 C ATOM 256 C4' DC B 1 6.039 -6.427 23.723 1.00 0.00 C ATOM 257 O4' DC B 1 5.400 -5.169 23.798 1.00 0.00 O ATOM 258 C3' DC B 1 6.391 -6.681 22.255 1.00 0.00 C ATOM 259 O3' DC B 1 6.070 -8.047 22.027 1.00 0.00 O ATOM 260 C2' DC B 1 5.497 -5.644 21.523 1.00 0.00 C ATOM 261 C1' DC B 1 4.623 -5.039 22.628 1.00 0.00 C ATOM 262 N1 DC B 1 4.254 -3.621 22.390 1.00 0.00 N ATOM 263 C2 DC B 1 2.919 -3.211 22.360 1.00 0.00 C ATOM 264 O2 DC B 1 1.998 -4.015 22.485 1.00 0.00 O ATOM 265 N3 DC B 1 2.652 -1.881 22.187 1.00 0.00 N ATOM 266 C4 DC B 1 3.645 -0.987 22.042 1.00 0.00 C ATOM 267 N4 DC B 1 3.337 0.301 21.855 1.00 0.00 N ATOM 268 C5 DC B 1 5.022 -1.386 22.135 1.00 0.00 C ATOM 269 C6 DC B 1 5.258 -2.705 22.315 1.00 0.00 C ATOM 0 H5' DC B 1 7.788 -7.431 24.504 1.00 0.00 H new ATOM 0 H5'' DC B 1 7.954 -5.689 24.404 1.00 0.00 H new ATOM 0 H4' DC B 1 5.376 -7.219 24.071 1.00 0.00 H new ATOM 0 H3' DC B 1 7.423 -6.554 21.928 1.00 0.00 H new ATOM 0 H2' DC B 1 6.098 -4.880 21.030 1.00 0.00 H new ATOM 0 H2'' DC B 1 4.890 -6.118 20.752 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.634 -6.417 26.582 1.00 0.00 H new ATOM 0 H1' DC B 1 3.664 -5.554 22.685 1.00 0.00 H new ATOM 0 H41 DC B 1 4.079 0.992 21.743 1.00 0.00 H new ATOM 0 H42 DC B 1 2.360 0.592 21.824 1.00 0.00 H new ATOM 0 H5 DC B 1 5.827 -0.669 22.065 1.00 0.00 H new ATOM 0 H6 DC B 1 6.280 -3.044 22.402 1.00 0.00 H new ATOM 282 P DG B 2 5.772 -8.687 20.580 1.00 0.00 P ATOM 283 OP1 DG B 2 5.848 -10.159 20.705 1.00 0.00 O ATOM 284 OP2 DG B 2 6.605 -7.988 19.576 1.00 0.00 O ATOM 285 O5' DG B 2 4.227 -8.283 20.335 1.00 0.00 O ATOM 286 C5' DG B 2 3.214 -8.547 21.293 1.00 0.00 C ATOM 287 C4' DG B 2 1.840 -8.169 20.756 1.00 0.00 C ATOM 288 O4' DG B 2 1.684 -6.765 20.882 1.00 0.00 O ATOM 289 C3' DG B 2 1.626 -8.565 19.290 1.00 0.00 C ATOM 290 O3' DG B 2 0.339 -9.140 19.185 1.00 0.00 O ATOM 291 C2' DG B 2 1.818 -7.199 18.648 1.00 0.00 C ATOM 292 C1' DG B 2 1.136 -6.309 19.675 1.00 0.00 C ATOM 293 N9 DG B 2 1.433 -4.879 19.450 1.00 0.00 N ATOM 294 C8 DG B 2 2.628 -4.336 19.066 1.00 0.00 C ATOM 295 N7 DG B 2 2.648 -3.035 19.037 1.00 0.00 N ATOM 296 C5 DG B 2 1.355 -2.683 19.405 1.00 0.00 C ATOM 297 C6 DG B 2 0.773 -1.391 19.563 1.00 0.00 C ATOM 298 O6 DG B 2 1.336 -0.302 19.505 1.00 0.00 O ATOM 299 N1 DG B 2 -0.595 -1.449 19.811 1.00 0.00 N ATOM 300 C2 DG B 2 -1.303 -2.623 19.994 1.00 0.00 C ATOM 301 N2 DG B 2 -2.616 -2.510 20.222 1.00 0.00 N ATOM 302 N3 DG B 2 -0.735 -3.841 19.940 1.00 0.00 N ATOM 303 C4 DG B 2 0.590 -3.805 19.628 1.00 0.00 C ATOM 0 H5' DG B 2 3.418 -7.987 22.206 1.00 0.00 H new ATOM 0 H5'' DG B 2 3.226 -9.604 21.558 1.00 0.00 H new ATOM 0 H4' DG B 2 1.100 -8.717 21.339 1.00 0.00 H new ATOM 0 H3' DG B 2 2.271 -9.314 18.830 1.00 0.00 H new ATOM 0 H2' DG B 2 2.870 -6.948 18.516 1.00 0.00 H new ATOM 0 H2'' DG B 2 1.349 -7.133 17.666 1.00 0.00 H new ATOM 0 H1' DG B 2 0.048 -6.369 19.640 1.00 0.00 H new ATOM 0 H8 DG B 2 3.486 -4.938 18.808 1.00 0.00 H new ATOM 0 H1 DG B 2 -1.109 -0.569 19.861 1.00 0.00 H new ATOM 0 H21 DG B 2 -3.183 -3.346 20.363 1.00 0.00 H new ATOM 0 H22 DG B 2 -3.050 -1.588 20.254 1.00 0.00 H new ATOM 315 P DC B 3 -0.385 -9.418 17.780 1.00 0.00 P ATOM 316 OP1 DC B 3 -1.175 -10.664 17.894 1.00 0.00 O ATOM 317 OP2 DC B 3 0.589 -9.256 16.678 1.00 0.00 O ATOM 318 O5' DC B 3 -1.390 -8.165 17.776 1.00 0.00 O ATOM 319 C5' DC B 3 -2.457 -8.089 18.705 1.00 0.00 C ATOM 320 C4' DC B 3 -3.381 -6.928 18.345 1.00 0.00 C ATOM 321 O4' DC B 3 -2.676 -5.705 18.430 1.00 0.00 O ATOM 322 C3' DC B 3 -3.952 -7.064 16.923 1.00 0.00 C ATOM 323 O3' DC B 3 -5.355 -7.303 16.829 1.00 0.00 O ATOM 324 C2' DC B 3 -3.437 -5.824 16.207 1.00 0.00 C ATOM 325 C1' DC B 3 -3.018 -4.882 17.332 1.00 0.00 C ATOM 326 N1 DC B 3 -1.814 -4.110 16.924 1.00 0.00 N ATOM 327 C2 DC B 3 -1.870 -2.720 16.821 1.00 0.00 C ATOM 328 O2 DC B 3 -2.903 -2.093 17.038 1.00 0.00 O ATOM 329 N3 DC B 3 -0.734 -2.054 16.472 1.00 0.00 N ATOM 330 C4 DC B 3 0.416 -2.697 16.232 1.00 0.00 C ATOM 331 N4 DC B 3 1.506 -1.985 15.936 1.00 0.00 N ATOM 332 C5 DC B 3 0.493 -4.124 16.320 1.00 0.00 C ATOM 333 C6 DC B 3 -0.636 -4.775 16.680 1.00 0.00 C ATOM 0 H5' DC B 3 -2.064 -7.953 19.712 1.00 0.00 H new ATOM 0 H5'' DC B 3 -3.017 -9.024 18.705 1.00 0.00 H new ATOM 0 H4' DC B 3 -4.208 -6.946 19.055 1.00 0.00 H new ATOM 0 H3' DC B 3 -3.611 -7.980 16.440 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.597 -6.062 15.555 1.00 0.00 H new ATOM 0 H2'' DC B 3 -4.210 -5.377 15.581 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.818 -4.182 17.574 1.00 0.00 H new ATOM 0 H41 DC B 3 2.390 -2.459 15.751 1.00 0.00 H new ATOM 0 H42 DC B 3 1.455 -0.967 15.895 1.00 0.00 H new ATOM 0 H5 DC B 3 1.409 -4.655 16.109 1.00 0.00 H new ATOM 0 H6 DC B 3 -0.612 -5.850 16.779 1.00 0.00 H new ATOM 345 P DT B 4 -6.523 -6.294 17.335 1.00 0.00 P ATOM 346 OP1 DT B 4 -6.231 -5.855 18.717 1.00 0.00 O ATOM 347 OP2 DT B 4 -7.823 -6.936 17.042 1.00 0.00 O ATOM 348 O5' DT B 4 -6.388 -5.016 16.367 1.00 0.00 O ATOM 349 C5' DT B 4 -6.789 -3.740 16.809 1.00 0.00 C ATOM 350 C4' DT B 4 -6.624 -2.675 15.731 1.00 0.00 C ATOM 351 O4' DT B 4 -5.252 -2.487 15.454 1.00 0.00 O ATOM 352 C3' DT B 4 -7.345 -2.995 14.422 1.00 0.00 C ATOM 353 O3' DT B 4 -8.464 -2.149 14.225 1.00 0.00 O ATOM 354 C2' DT B 4 -6.231 -2.811 13.392 1.00 0.00 C ATOM 355 C1' DT B 4 -5.157 -2.019 14.133 1.00 0.00 C ATOM 356 N1 DT B 4 -3.767 -2.209 13.628 1.00 0.00 N ATOM 357 C2 DT B 4 -2.966 -1.079 13.470 1.00 0.00 C ATOM 358 O2 DT B 4 -3.404 0.068 13.485 1.00 0.00 O ATOM 359 N3 DT B 4 -1.612 -1.309 13.288 1.00 0.00 N ATOM 360 C4 DT B 4 -0.987 -2.543 13.218 1.00 0.00 C ATOM 361 O4 DT B 4 0.233 -2.601 13.082 1.00 0.00 O ATOM 362 C5 DT B 4 -1.895 -3.673 13.318 1.00 0.00 C ATOM 363 C7 DT B 4 -1.358 -5.093 13.228 1.00 0.00 C ATOM 364 C6 DT B 4 -3.222 -3.468 13.515 1.00 0.00 C ATOM 0 H5' DT B 4 -6.203 -3.461 17.685 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.832 -3.778 17.122 1.00 0.00 H new ATOM 0 H4' DT B 4 -7.081 -1.771 16.134 1.00 0.00 H new ATOM 0 H3' DT B 4 -7.786 -3.991 14.375 1.00 0.00 H new ATOM 0 H2' DT B 4 -5.848 -3.771 13.045 1.00 0.00 H new ATOM 0 H2'' DT B 4 -6.587 -2.273 12.514 1.00 0.00 H new ATOM 0 H1' DT B 4 -5.333 -0.951 14.006 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.015 -0.487 13.196 1.00 0.00 H new ATOM 0 H71 DT B 4 -0.470 -5.107 12.596 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.099 -5.448 14.225 1.00 0.00 H new ATOM 0 H73 DT B 4 -2.120 -5.743 12.798 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.875 -4.325 13.586 1.00 0.00 H new ATOM 377 P DA B 5 -9.325 -2.172 12.857 1.00 0.00 P ATOM 378 OP1 DA B 5 -10.695 -1.701 13.156 1.00 0.00 O ATOM 379 OP2 DA B 5 -9.122 -3.475 12.183 1.00 0.00 O ATOM 380 O5' DA B 5 -8.564 -1.033 12.005 1.00 0.00 O ATOM 381 C5' DA B 5 -8.655 0.320 12.394 1.00 0.00 C ATOM 382 C4' DA B 5 -7.798 1.260 11.551 1.00 0.00 C ATOM 383 O4' DA B 5 -6.450 0.847 11.645 1.00 0.00 O ATOM 384 C3' DA B 5 -8.238 1.217 10.070 1.00 0.00 C ATOM 385 O3' DA B 5 -8.172 2.421 9.322 1.00 0.00 O ATOM 386 C2' DA B 5 -7.156 0.330 9.500 1.00 0.00 C ATOM 387 C1' DA B 5 -5.957 0.801 10.332 1.00 0.00 C ATOM 388 N9 DA B 5 -4.807 -0.114 10.243 1.00 0.00 N ATOM 389 C8 DA B 5 -4.804 -1.480 10.199 1.00 0.00 C ATOM 390 N7 DA B 5 -3.609 -2.011 10.166 1.00 0.00 N ATOM 391 C5 DA B 5 -2.756 -0.907 10.190 1.00 0.00 C ATOM 392 C6 DA B 5 -1.349 -0.750 10.181 1.00 0.00 C ATOM 393 N6 DA B 5 -0.486 -1.774 10.148 1.00 0.00 N ATOM 394 N1 DA B 5 -0.845 0.499 10.218 1.00 0.00 N ATOM 395 C2 DA B 5 -1.683 1.532 10.274 1.00 0.00 C ATOM 396 N3 DA B 5 -3.007 1.520 10.307 1.00 0.00 N ATOM 397 C4 DA B 5 -3.488 0.252 10.256 1.00 0.00 C ATOM 0 H5' DA B 5 -8.357 0.409 13.439 1.00 0.00 H new ATOM 0 H5'' DA B 5 -9.696 0.638 12.332 1.00 0.00 H new ATOM 0 H4' DA B 5 -7.915 2.279 11.920 1.00 0.00 H new ATOM 0 H3' DA B 5 -9.287 0.927 10.016 1.00 0.00 H new ATOM 0 H2' DA B 5 -7.370 -0.730 9.640 1.00 0.00 H new ATOM 0 H2'' DA B 5 -7.009 0.487 8.431 1.00 0.00 H new ATOM 0 H1' DA B 5 -5.580 1.760 9.976 1.00 0.00 H new ATOM 0 H8 DA B 5 -5.709 -2.069 10.192 1.00 0.00 H new ATOM 0 H61 DA B 5 0.518 -1.595 10.143 1.00 0.00 H new ATOM 0 H62 DA B 5 -0.833 -2.733 10.128 1.00 0.00 H new ATOM 0 H2 DA B 5 -1.222 2.509 10.295 1.00 0.00 H new ATOM 409 P DG B 6 -8.838 3.791 9.818 1.00 0.00 P ATOM 410 OP1 DG B 6 -9.824 3.489 10.880 1.00 0.00 O ATOM 411 OP2 DG B 6 -9.244 4.589 8.641 1.00 0.00 O ATOM 412 O5' DG B 6 -7.528 4.442 10.490 1.00 0.00 O ATOM 413 C5' DG B 6 -6.741 5.438 9.863 1.00 0.00 C ATOM 414 C4' DG B 6 -5.784 5.034 8.719 1.00 0.00 C ATOM 415 O4' DG B 6 -4.995 3.854 8.860 1.00 0.00 O ATOM 416 C3' DG B 6 -6.286 5.063 7.263 1.00 0.00 C ATOM 417 O3' DG B 6 -6.073 6.365 6.734 1.00 0.00 O ATOM 418 C2' DG B 6 -5.520 3.916 6.611 1.00 0.00 C ATOM 419 C1' DG B 6 -4.397 3.622 7.585 1.00 0.00 C ATOM 420 N9 DG B 6 -3.768 2.298 7.356 1.00 0.00 N ATOM 421 C8 DG B 6 -4.326 1.074 7.073 1.00 0.00 C ATOM 422 N7 DG B 6 -3.464 0.110 6.923 1.00 0.00 N ATOM 423 C5 DG B 6 -2.238 0.744 7.063 1.00 0.00 C ATOM 424 C6 DG B 6 -0.920 0.212 6.992 1.00 0.00 C ATOM 425 O6 DG B 6 -0.594 -0.967 6.899 1.00 0.00 O ATOM 426 N1 DG B 6 0.055 1.204 7.041 1.00 0.00 N ATOM 427 C2 DG B 6 -0.201 2.550 7.208 1.00 0.00 C ATOM 428 N2 DG B 6 0.844 3.383 7.226 1.00 0.00 N ATOM 429 N3 DG B 6 -1.440 3.042 7.338 1.00 0.00 N ATOM 430 C4 DG B 6 -2.412 2.092 7.252 1.00 0.00 C ATOM 0 H5' DG B 6 -6.143 5.919 10.637 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.421 6.194 9.470 1.00 0.00 H new ATOM 0 H4' DG B 6 -5.157 5.909 8.889 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.353 4.904 7.104 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.157 3.044 6.462 1.00 0.00 H new ATOM 0 H2'' DG B 6 -5.135 4.200 5.632 1.00 0.00 H new ATOM 0 H1' DG B 6 -3.521 4.260 7.470 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.392 0.924 6.983 1.00 0.00 H new ATOM 0 H1 DG B 6 1.029 0.916 6.947 1.00 0.00 H new ATOM 0 H21 DG B 6 0.696 4.385 7.347 1.00 0.00 H new ATOM 0 H22 DG B 6 1.790 3.017 7.118 1.00 0.00 H new ATOM 442 P DC B 7 -6.057 6.725 5.155 1.00 0.00 P ATOM 443 OP1 DC B 7 -6.455 8.142 5.001 1.00 0.00 O ATOM 444 OP2 DC B 7 -6.773 5.672 4.400 1.00 0.00 O ATOM 445 O5' DC B 7 -4.474 6.610 4.841 1.00 0.00 O ATOM 446 C5' DC B 7 -3.545 7.296 5.660 1.00 0.00 C ATOM 447 C4' DC B 7 -2.106 7.281 5.133 1.00 0.00 C ATOM 448 O4' DC B 7 -1.529 6.001 5.330 1.00 0.00 O ATOM 449 C3' DC B 7 -1.984 7.695 3.669 1.00 0.00 C ATOM 450 O3' DC B 7 -0.895 8.595 3.525 1.00 0.00 O ATOM 451 C2' DC B 7 -1.761 6.338 3.054 1.00 0.00 C ATOM 452 C1' DC B 7 -0.988 5.549 4.109 1.00 0.00 C ATOM 453 N1 DC B 7 -1.247 4.090 3.972 1.00 0.00 N ATOM 454 C2 DC B 7 -0.206 3.161 3.863 1.00 0.00 C ATOM 455 O2 DC B 7 0.972 3.510 3.828 1.00 0.00 O ATOM 456 N3 DC B 7 -0.530 1.833 3.796 1.00 0.00 N ATOM 457 C4 DC B 7 -1.812 1.427 3.838 1.00 0.00 C ATOM 458 N4 DC B 7 -2.091 0.123 3.783 1.00 0.00 N ATOM 459 C5 DC B 7 -2.885 2.366 3.971 1.00 0.00 C ATOM 460 C6 DC B 7 -2.545 3.665 4.036 1.00 0.00 C ATOM 0 H5' DC B 7 -3.559 6.852 6.655 1.00 0.00 H new ATOM 0 H5'' DC B 7 -3.869 8.331 5.768 1.00 0.00 H new ATOM 0 H4' DC B 7 -1.561 8.030 5.707 1.00 0.00 H new ATOM 0 H3' DC B 7 -2.819 8.233 3.220 1.00 0.00 H new ATOM 0 H2' DC B 7 -2.707 5.853 2.813 1.00 0.00 H new ATOM 0 H2'' DC B 7 -1.196 6.414 2.125 1.00 0.00 H new ATOM 0 H1' DC B 7 0.089 5.694 4.025 1.00 0.00 H new ATOM 0 H41 DC B 7 -3.060 -0.193 3.814 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.335 -0.558 3.710 1.00 0.00 H new ATOM 0 H5 DC B 7 -3.916 2.047 4.017 1.00 0.00 H new ATOM 0 H6 DC B 7 -3.328 4.402 4.143 1.00 0.00 H new ATOM 472 P DG B 8 -0.491 9.267 2.112 1.00 0.00 P ATOM 473 OP1 DG B 8 0.367 10.441 2.386 1.00 0.00 O ATOM 474 OP2 DG B 8 -1.714 9.426 1.294 1.00 0.00 O ATOM 475 O5' DG B 8 0.422 8.126 1.437 1.00 0.00 O ATOM 476 C5' DG B 8 1.648 7.729 2.019 1.00 0.00 C ATOM 477 C4' DG B 8 2.270 6.577 1.226 1.00 0.00 C ATOM 478 O4' DG B 8 1.556 5.382 1.497 1.00 0.00 O ATOM 479 C3' DG B 8 2.260 6.790 -0.298 1.00 0.00 C ATOM 480 O3' DG B 8 3.525 6.511 -0.862 1.00 0.00 O ATOM 481 C2' DG B 8 1.238 5.755 -0.757 1.00 0.00 C ATOM 482 C1' DG B 8 1.459 4.668 0.287 1.00 0.00 C ATOM 483 N9 DG B 8 0.389 3.647 0.337 1.00 0.00 N ATOM 484 C8 DG B 8 -0.976 3.802 0.283 1.00 0.00 C ATOM 485 N7 DG B 8 -1.642 2.688 0.415 1.00 0.00 N ATOM 486 C5 DG B 8 -0.654 1.718 0.556 1.00 0.00 C ATOM 487 C6 DG B 8 -0.764 0.303 0.724 1.00 0.00 C ATOM 488 O6 DG B 8 -1.786 -0.374 0.799 1.00 0.00 O ATOM 489 N1 DG B 8 0.479 -0.325 0.806 1.00 0.00 N ATOM 490 C2 DG B 8 1.690 0.333 0.724 1.00 0.00 C ATOM 491 N2 DG B 8 2.796 -0.416 0.782 1.00 0.00 N ATOM 492 N3 DG B 8 1.795 1.663 0.579 1.00 0.00 N ATOM 493 C4 DG B 8 0.592 2.296 0.502 1.00 0.00 C ATOM 0 H5' DG B 8 1.484 7.421 3.052 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.336 8.574 2.044 1.00 0.00 H new ATOM 0 H4' DG B 8 3.311 6.522 1.545 1.00 0.00 H new ATOM 0 H3' DG B 8 2.026 7.814 -0.591 1.00 0.00 H new ATOM 0 H2' DG B 8 0.219 6.143 -0.743 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.431 5.403 -1.770 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.490 6.653 -1.831 1.00 0.00 H new ATOM 0 H1' DG B 8 2.347 4.079 0.056 1.00 0.00 H new ATOM 0 H8 DG B 8 -1.454 4.760 0.144 1.00 0.00 H new ATOM 0 H1 DG B 8 0.494 -1.337 0.935 1.00 0.00 H new ATOM 0 H21 DG B 8 3.714 0.025 0.726 1.00 0.00 H new ATOM 0 H22 DG B 8 2.722 -1.428 0.883 1.00 0.00 H new TER 506 DG B 8