USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=4 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= -1.88! (180deg=-1.88!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 24:sc= 0.00102 USER MOD Single : B 4 DT C7 :methyl 150:sc= -1.81! (180deg=-1.81!) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 2.770 -9.656 -0.782 1.00 0.00 O ATOM 2 C5' DC A 1 4.051 -9.108 -1.015 1.00 0.00 C ATOM 3 C4' DC A 1 4.361 -7.991 -0.013 1.00 0.00 C ATOM 4 O4' DC A 1 3.412 -6.948 -0.102 1.00 0.00 O ATOM 5 C3' DC A 1 4.434 -8.453 1.447 1.00 0.00 C ATOM 6 O3' DC A 1 5.822 -8.608 1.718 1.00 0.00 O ATOM 7 C2' DC A 1 3.730 -7.282 2.186 1.00 0.00 C ATOM 8 C1' DC A 1 3.492 -6.220 1.103 1.00 0.00 C ATOM 9 N1 DC A 1 2.266 -5.410 1.312 1.00 0.00 N ATOM 10 C2 DC A 1 2.313 -4.014 1.365 1.00 0.00 C ATOM 11 O2 DC A 1 3.376 -3.404 1.286 1.00 0.00 O ATOM 12 N3 DC A 1 1.137 -3.331 1.507 1.00 0.00 N ATOM 13 C4 DC A 1 -0.037 -3.979 1.594 1.00 0.00 C ATOM 14 N4 DC A 1 -1.161 -3.270 1.750 1.00 0.00 N ATOM 15 C5 DC A 1 -0.105 -5.408 1.469 1.00 0.00 C ATOM 16 C6 DC A 1 1.070 -6.059 1.324 1.00 0.00 C ATOM 0 H5' DC A 1 4.103 -8.715 -2.030 1.00 0.00 H new ATOM 0 H5'' DC A 1 4.805 -9.891 -0.937 1.00 0.00 H new ATOM 0 H4' DC A 1 5.353 -7.640 -0.296 1.00 0.00 H new ATOM 0 H3' DC A 1 3.962 -9.393 1.731 1.00 0.00 H new ATOM 0 H2' DC A 1 2.791 -7.606 2.636 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.352 -6.892 2.992 1.00 0.00 H new ATOM 0 HO5' DC A 1 2.594 -10.366 -1.435 1.00 0.00 H new ATOM 0 H1' DC A 1 4.298 -5.486 1.112 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.060 -3.747 1.818 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.119 -2.252 1.801 1.00 0.00 H new ATOM 0 H5 DC A 1 -1.047 -5.935 1.490 1.00 0.00 H new ATOM 0 H6 DC A 1 1.060 -7.133 1.214 1.00 0.00 H new ATOM 29 P DG A 2 6.478 -8.570 3.189 1.00 0.00 P ATOM 30 OP1 DG A 2 7.843 -9.131 3.096 1.00 0.00 O ATOM 31 OP2 DG A 2 5.510 -9.140 4.152 1.00 0.00 O ATOM 32 O5' DG A 2 6.606 -6.983 3.470 1.00 0.00 O ATOM 33 C5' DG A 2 7.220 -6.100 2.546 1.00 0.00 C ATOM 34 C4' DG A 2 7.283 -4.684 3.100 1.00 0.00 C ATOM 35 O4' DG A 2 6.002 -4.097 2.950 1.00 0.00 O ATOM 36 C3' DG A 2 7.693 -4.615 4.577 1.00 0.00 C ATOM 37 O3' DG A 2 8.659 -3.593 4.706 1.00 0.00 O ATOM 38 C2' DG A 2 6.328 -4.351 5.193 1.00 0.00 C ATOM 39 C1' DG A 2 5.720 -3.429 4.149 1.00 0.00 C ATOM 40 N9 DG A 2 4.266 -3.256 4.347 1.00 0.00 N ATOM 41 C8 DG A 2 3.367 -4.222 4.705 1.00 0.00 C ATOM 42 N7 DG A 2 2.126 -3.832 4.719 1.00 0.00 N ATOM 43 C5 DG A 2 2.207 -2.490 4.368 1.00 0.00 C ATOM 44 C6 DG A 2 1.166 -1.530 4.210 1.00 0.00 C ATOM 45 O6 DG A 2 -0.044 -1.727 4.255 1.00 0.00 O ATOM 46 N1 DG A 2 1.652 -0.247 3.978 1.00 0.00 N ATOM 47 C2 DG A 2 2.991 0.059 3.822 1.00 0.00 C ATOM 48 N2 DG A 2 3.296 1.345 3.613 1.00 0.00 N ATOM 49 N3 DG A 2 3.970 -0.862 3.881 1.00 0.00 N ATOM 50 C4 DG A 2 3.516 -2.113 4.170 1.00 0.00 C ATOM 0 H5' DG A 2 6.662 -6.103 1.610 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.227 -6.450 2.318 1.00 0.00 H new ATOM 0 H4' DG A 2 8.052 -4.150 2.542 1.00 0.00 H new ATOM 0 H3' DG A 2 8.176 -5.472 5.046 1.00 0.00 H new ATOM 0 H2' DG A 2 5.750 -5.266 5.324 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.401 -3.877 6.172 1.00 0.00 H new ATOM 0 H1' DG A 2 6.121 -2.416 4.185 1.00 0.00 H new ATOM 0 H8 DG A 2 3.664 -5.230 4.956 1.00 0.00 H new ATOM 0 H1 DG A 2 0.978 0.516 3.919 1.00 0.00 H new ATOM 0 H21 DG A 2 4.269 1.625 3.491 1.00 0.00 H new ATOM 0 H22 DG A 2 2.555 2.045 3.575 1.00 0.00 H new ATOM 62 P DC A 3 9.138 -3.021 6.125 1.00 0.00 P ATOM 63 OP1 DC A 3 10.574 -2.676 6.037 1.00 0.00 O ATOM 64 OP2 DC A 3 8.651 -3.904 7.209 1.00 0.00 O ATOM 65 O5' DC A 3 8.276 -1.667 6.131 1.00 0.00 O ATOM 66 C5' DC A 3 8.563 -0.624 5.217 1.00 0.00 C ATOM 67 C4' DC A 3 7.778 0.631 5.586 1.00 0.00 C ATOM 68 O4' DC A 3 6.395 0.368 5.446 1.00 0.00 O ATOM 69 C3' DC A 3 8.049 1.060 7.039 1.00 0.00 C ATOM 70 O3' DC A 3 8.764 2.281 7.220 1.00 0.00 O ATOM 71 C2' DC A 3 6.682 0.972 7.701 1.00 0.00 C ATOM 72 C1' DC A 3 5.695 0.924 6.540 1.00 0.00 C ATOM 73 N1 DC A 3 4.551 0.037 6.889 1.00 0.00 N ATOM 74 C2 DC A 3 3.261 0.561 6.987 1.00 0.00 C ATOM 75 O2 DC A 3 3.027 1.750 6.788 1.00 0.00 O ATOM 76 N3 DC A 3 2.244 -0.285 7.312 1.00 0.00 N ATOM 77 C4 DC A 3 2.456 -1.588 7.539 1.00 0.00 C ATOM 78 N4 DC A 3 1.414 -2.377 7.816 1.00 0.00 N ATOM 79 C5 DC A 3 3.772 -2.144 7.459 1.00 0.00 C ATOM 80 C6 DC A 3 4.773 -1.301 7.118 1.00 0.00 C ATOM 0 H5' DC A 3 8.307 -0.937 4.205 1.00 0.00 H new ATOM 0 H5'' DC A 3 9.631 -0.409 5.224 1.00 0.00 H new ATOM 0 H4' DC A 3 8.094 1.435 4.921 1.00 0.00 H new ATOM 0 H3' DC A 3 8.773 0.404 7.522 1.00 0.00 H new ATOM 0 H2' DC A 3 6.601 0.083 8.327 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.497 1.833 8.344 1.00 0.00 H new ATOM 0 H1' DC A 3 5.307 1.916 6.310 1.00 0.00 H new ATOM 0 H41 DC A 3 1.560 -3.371 7.991 1.00 0.00 H new ATOM 0 H42 DC A 3 0.473 -1.985 7.852 1.00 0.00 H new ATOM 0 H5 DC A 3 3.957 -3.189 7.662 1.00 0.00 H new ATOM 0 H6 DC A 3 5.776 -1.690 7.023 1.00 0.00 H new ATOM 92 P DT A 4 8.269 3.751 6.741 1.00 0.00 P ATOM 93 OP1 DT A 4 7.870 3.699 5.317 1.00 0.00 O ATOM 94 OP2 DT A 4 9.297 4.726 7.166 1.00 0.00 O ATOM 95 O5' DT A 4 6.952 4.025 7.619 1.00 0.00 O ATOM 96 C5' DT A 4 5.919 4.844 7.121 1.00 0.00 C ATOM 97 C4' DT A 4 4.809 5.061 8.141 1.00 0.00 C ATOM 98 O4' DT A 4 4.154 3.842 8.406 1.00 0.00 O ATOM 99 C3' DT A 4 5.296 5.638 9.468 1.00 0.00 C ATOM 100 O3' DT A 4 4.969 7.011 9.585 1.00 0.00 O ATOM 101 C2' DT A 4 4.628 4.724 10.494 1.00 0.00 C ATOM 102 C1' DT A 4 3.585 3.955 9.686 1.00 0.00 C ATOM 103 N1 DT A 4 3.255 2.595 10.199 1.00 0.00 N ATOM 104 C2 DT A 4 1.912 2.238 10.303 1.00 0.00 C ATOM 105 O2 DT A 4 0.991 3.050 10.258 1.00 0.00 O ATOM 106 N3 DT A 4 1.648 0.888 10.465 1.00 0.00 N ATOM 107 C4 DT A 4 2.581 -0.132 10.553 1.00 0.00 C ATOM 108 O4 DT A 4 2.198 -1.295 10.669 1.00 0.00 O ATOM 109 C5 DT A 4 3.961 0.323 10.495 1.00 0.00 C ATOM 110 C7 DT A 4 5.104 -0.679 10.578 1.00 0.00 C ATOM 111 C6 DT A 4 4.240 1.642 10.327 1.00 0.00 C ATOM 0 H5' DT A 4 5.500 4.390 6.223 1.00 0.00 H new ATOM 0 H5'' DT A 4 6.333 5.809 6.827 1.00 0.00 H new ATOM 0 H4' DT A 4 4.134 5.790 7.692 1.00 0.00 H new ATOM 0 H3' DT A 4 6.379 5.645 9.594 1.00 0.00 H new ATOM 0 H2' DT A 4 5.349 4.051 10.957 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.166 5.298 11.298 1.00 0.00 H new ATOM 0 H1' DT A 4 2.637 4.491 9.727 1.00 0.00 H new ATOM 0 H3 DT A 4 0.666 0.617 10.526 1.00 0.00 H new ATOM 0 H71 DT A 4 5.959 -0.303 10.017 1.00 0.00 H new ATOM 0 H72 DT A 4 5.388 -0.821 11.621 1.00 0.00 H new ATOM 0 H73 DT A 4 4.784 -1.632 10.156 1.00 0.00 H new ATOM 0 H6 DT A 4 5.273 1.954 10.293 1.00 0.00 H new ATOM 124 P DA A 5 5.316 7.867 10.912 1.00 0.00 P ATOM 125 OP1 DA A 5 5.518 9.279 10.520 1.00 0.00 O ATOM 126 OP2 DA A 5 6.359 7.157 11.685 1.00 0.00 O ATOM 127 O5' DA A 5 3.925 7.754 11.714 1.00 0.00 O ATOM 128 C5' DA A 5 2.764 8.390 11.221 1.00 0.00 C ATOM 129 C4' DA A 5 1.515 7.974 11.992 1.00 0.00 C ATOM 130 O4' DA A 5 1.421 6.561 11.980 1.00 0.00 O ATOM 131 C3' DA A 5 1.572 8.432 13.457 1.00 0.00 C ATOM 132 O3' DA A 5 0.303 8.740 13.982 1.00 0.00 O ATOM 133 C2' DA A 5 2.003 7.168 14.162 1.00 0.00 C ATOM 134 C1' DA A 5 1.255 6.139 13.314 1.00 0.00 C ATOM 135 N9 DA A 5 1.740 4.757 13.491 1.00 0.00 N ATOM 136 C8 DA A 5 3.018 4.294 13.665 1.00 0.00 C ATOM 137 N7 DA A 5 3.112 2.991 13.719 1.00 0.00 N ATOM 138 C5 DA A 5 1.795 2.558 13.583 1.00 0.00 C ATOM 139 C6 DA A 5 1.178 1.286 13.559 1.00 0.00 C ATOM 140 N6 DA A 5 1.847 0.131 13.663 1.00 0.00 N ATOM 141 N1 DA A 5 -0.160 1.231 13.416 1.00 0.00 N ATOM 142 C2 DA A 5 -0.848 2.362 13.290 1.00 0.00 C ATOM 143 N3 DA A 5 -0.392 3.606 13.276 1.00 0.00 N ATOM 144 C4 DA A 5 0.957 3.635 13.433 1.00 0.00 C ATOM 0 H5' DA A 5 2.637 8.146 10.166 1.00 0.00 H new ATOM 0 H5'' DA A 5 2.887 9.471 11.286 1.00 0.00 H new ATOM 0 H4' DA A 5 0.654 8.440 11.512 1.00 0.00 H new ATOM 0 H3' DA A 5 2.202 9.315 13.567 1.00 0.00 H new ATOM 0 H2' DA A 5 3.083 7.023 14.140 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.700 7.148 15.209 1.00 0.00 H new ATOM 0 H1' DA A 5 0.209 6.099 13.618 1.00 0.00 H new ATOM 0 H8 DA A 5 3.873 4.948 13.750 1.00 0.00 H new ATOM 0 H61 DA A 5 1.342 -0.755 13.639 1.00 0.00 H new ATOM 0 H62 DA A 5 2.862 0.137 13.767 1.00 0.00 H new ATOM 0 H2 DA A 5 -1.917 2.252 13.186 1.00 0.00 H new ATOM 156 P DG A 6 -0.408 10.158 13.768 1.00 0.00 P ATOM 157 OP1 DG A 6 -0.588 10.411 12.321 1.00 0.00 O ATOM 158 OP2 DG A 6 0.264 11.161 14.623 1.00 0.00 O ATOM 159 O5' DG A 6 -1.834 9.799 14.412 1.00 0.00 O ATOM 160 C5' DG A 6 -2.603 8.704 13.946 1.00 0.00 C ATOM 161 C4' DG A 6 -2.758 7.559 14.966 1.00 0.00 C ATOM 162 O4' DG A 6 -1.902 6.426 14.810 1.00 0.00 O ATOM 163 C3' DG A 6 -2.691 7.944 16.455 1.00 0.00 C ATOM 164 O3' DG A 6 -4.011 8.057 16.966 1.00 0.00 O ATOM 165 C2' DG A 6 -1.828 6.833 17.046 1.00 0.00 C ATOM 166 C1' DG A 6 -1.952 5.707 16.039 1.00 0.00 C ATOM 167 N9 DG A 6 -0.938 4.645 16.252 1.00 0.00 N ATOM 168 C8 DG A 6 0.397 4.748 16.562 1.00 0.00 C ATOM 169 N7 DG A 6 1.003 3.610 16.739 1.00 0.00 N ATOM 170 C5 DG A 6 -0.009 2.675 16.580 1.00 0.00 C ATOM 171 C6 DG A 6 0.041 1.257 16.687 1.00 0.00 C ATOM 172 O6 DG A 6 1.033 0.554 16.843 1.00 0.00 O ATOM 173 N1 DG A 6 -1.219 0.674 16.594 1.00 0.00 N ATOM 174 C2 DG A 6 -2.392 1.371 16.381 1.00 0.00 C ATOM 175 N2 DG A 6 -3.527 0.666 16.361 1.00 0.00 N ATOM 176 N3 DG A 6 -2.431 2.703 16.229 1.00 0.00 N ATOM 177 C4 DG A 6 -1.210 3.298 16.342 1.00 0.00 C ATOM 0 H5' DG A 6 -2.141 8.309 13.041 1.00 0.00 H new ATOM 0 H5'' DG A 6 -3.594 9.063 13.667 1.00 0.00 H new ATOM 0 H4' DG A 6 -3.778 7.285 14.697 1.00 0.00 H new ATOM 0 H3' DG A 6 -2.252 8.913 16.692 1.00 0.00 H new ATOM 0 H2' DG A 6 -0.792 7.151 17.165 1.00 0.00 H new ATOM 0 H2'' DG A 6 -2.184 6.530 18.031 1.00 0.00 H new ATOM 0 H1' DG A 6 -2.858 5.105 16.101 1.00 0.00 H new ATOM 0 H8 DG A 6 0.903 5.698 16.652 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.281 -0.340 16.690 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.418 1.138 16.207 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.502 -0.344 16.500 1.00 0.00 H new ATOM 189 P DC A 7 -4.374 8.130 18.543 1.00 0.00 P ATOM 190 OP1 DC A 7 -5.589 8.960 18.698 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.156 8.458 19.317 1.00 0.00 O ATOM 192 O5' DC A 7 -4.777 6.589 18.828 1.00 0.00 O ATOM 193 C5' DC A 7 -5.737 5.957 18.004 1.00 0.00 C ATOM 194 C4' DC A 7 -6.185 4.573 18.481 1.00 0.00 C ATOM 195 O4' DC A 7 -5.168 3.617 18.244 1.00 0.00 O ATOM 196 C3' DC A 7 -6.597 4.537 19.953 1.00 0.00 C ATOM 197 O3' DC A 7 -7.832 3.846 20.068 1.00 0.00 O ATOM 198 C2' DC A 7 -5.412 3.808 20.550 1.00 0.00 C ATOM 199 C1' DC A 7 -4.928 2.893 19.430 1.00 0.00 C ATOM 200 N1 DC A 7 -3.465 2.665 19.558 1.00 0.00 N ATOM 201 C2 DC A 7 -2.933 1.386 19.748 1.00 0.00 C ATOM 202 O2 DC A 7 -3.651 0.390 19.809 1.00 0.00 O ATOM 203 N3 DC A 7 -1.576 1.263 19.868 1.00 0.00 N ATOM 204 C4 DC A 7 -0.773 2.340 19.812 1.00 0.00 C ATOM 205 N4 DC A 7 0.549 2.180 19.905 1.00 0.00 N ATOM 206 C5 DC A 7 -1.304 3.653 19.603 1.00 0.00 C ATOM 207 C6 DC A 7 -2.638 3.753 19.472 1.00 0.00 C ATOM 0 H5' DC A 7 -5.326 5.863 16.999 1.00 0.00 H new ATOM 0 H5'' DC A 7 -6.613 6.601 17.932 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.074 4.327 17.901 1.00 0.00 H new ATOM 0 H3' DC A 7 -6.781 5.492 20.446 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.632 4.504 20.860 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.700 3.238 21.433 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.429 1.925 19.451 1.00 0.00 H new ATOM 0 H41 DC A 7 1.165 2.992 19.863 1.00 0.00 H new ATOM 0 H42 DC A 7 0.943 1.246 20.018 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.664 4.521 19.553 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.073 4.725 19.293 1.00 0.00 H new ATOM 219 P DG A 8 -8.626 3.701 21.467 1.00 0.00 P ATOM 220 OP1 DG A 8 -10.007 3.259 21.172 1.00 0.00 O ATOM 221 OP2 DG A 8 -8.401 4.922 22.272 1.00 0.00 O ATOM 222 O5' DG A 8 -7.851 2.482 22.175 1.00 0.00 O ATOM 223 C5' DG A 8 -7.841 1.190 21.603 1.00 0.00 C ATOM 224 C4' DG A 8 -6.969 0.240 22.430 1.00 0.00 C ATOM 225 O4' DG A 8 -5.602 0.487 22.148 1.00 0.00 O ATOM 226 C3' DG A 8 -7.156 0.377 23.953 1.00 0.00 C ATOM 227 O3' DG A 8 -7.339 -0.886 24.558 1.00 0.00 O ATOM 228 C2' DG A 8 -5.826 0.977 24.393 1.00 0.00 C ATOM 229 C1' DG A 8 -4.893 0.363 23.359 1.00 0.00 C ATOM 230 N9 DG A 8 -3.568 1.015 23.290 1.00 0.00 N ATOM 231 C8 DG A 8 -3.246 2.349 23.325 1.00 0.00 C ATOM 232 N7 DG A 8 -1.969 2.589 23.195 1.00 0.00 N ATOM 233 C5 DG A 8 -1.397 1.325 23.077 1.00 0.00 C ATOM 234 C6 DG A 8 -0.031 0.934 22.922 1.00 0.00 C ATOM 235 O6 DG A 8 0.961 1.654 22.838 1.00 0.00 O ATOM 236 N1 DG A 8 0.126 -0.451 22.865 1.00 0.00 N ATOM 237 C2 DG A 8 -0.912 -1.357 22.961 1.00 0.00 C ATOM 238 N2 DG A 8 -0.598 -2.655 22.928 1.00 0.00 N ATOM 239 N3 DG A 8 -2.196 -0.992 23.092 1.00 0.00 N ATOM 240 C4 DG A 8 -2.370 0.357 23.143 1.00 0.00 C ATOM 0 H5' DG A 8 -7.464 1.242 20.582 1.00 0.00 H new ATOM 0 H5'' DG A 8 -8.859 0.803 21.548 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.281 -0.765 22.146 1.00 0.00 H new ATOM 0 H3' DG A 8 -8.028 0.971 24.227 1.00 0.00 H new ATOM 0 H2' DG A 8 -5.829 2.066 24.354 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.560 0.695 25.412 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.454 -0.772 25.525 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.649 -0.669 23.610 1.00 0.00 H new ATOM 0 H8 DG A 8 -3.982 3.129 23.449 1.00 0.00 H new ATOM 0 H1 DG A 8 1.070 -0.819 22.744 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.333 -3.359 22.996 1.00 0.00 H new ATOM 0 H22 DG A 8 0.376 -2.942 22.835 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 7.974 -5.576 24.743 1.00 0.00 O ATOM 255 C5' DC B 1 7.012 -6.578 25.007 1.00 0.00 C ATOM 256 C4' DC B 1 5.870 -6.521 23.987 1.00 0.00 C ATOM 257 O4' DC B 1 5.221 -5.267 24.017 1.00 0.00 O ATOM 258 C3' DC B 1 6.296 -6.808 22.543 1.00 0.00 C ATOM 259 O3' DC B 1 5.961 -8.173 22.321 1.00 0.00 O ATOM 260 C2' DC B 1 5.454 -5.772 21.751 1.00 0.00 C ATOM 261 C1' DC B 1 4.527 -5.139 22.797 1.00 0.00 C ATOM 262 N1 DC B 1 4.196 -3.717 22.527 1.00 0.00 N ATOM 263 C2 DC B 1 2.870 -3.281 22.448 1.00 0.00 C ATOM 264 O2 DC B 1 1.930 -4.066 22.533 1.00 0.00 O ATOM 265 N3 DC B 1 2.637 -1.945 22.273 1.00 0.00 N ATOM 266 C4 DC B 1 3.652 -1.069 22.174 1.00 0.00 C ATOM 267 N4 DC B 1 3.377 0.228 21.996 1.00 0.00 N ATOM 268 C5 DC B 1 5.016 -1.497 22.316 1.00 0.00 C ATOM 269 C6 DC B 1 5.219 -2.820 22.496 1.00 0.00 C ATOM 0 H5' DC B 1 6.613 -6.449 26.013 1.00 0.00 H new ATOM 0 H5'' DC B 1 7.485 -7.560 24.975 1.00 0.00 H new ATOM 0 H4' DC B 1 5.193 -7.318 24.294 1.00 0.00 H new ATOM 0 H3' DC B 1 7.346 -6.704 22.269 1.00 0.00 H new ATOM 0 H2' DC B 1 6.090 -5.022 21.280 1.00 0.00 H new ATOM 0 H2'' DC B 1 4.884 -6.251 20.955 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.556 -4.846 24.240 1.00 0.00 H new ATOM 0 H1' DC B 1 3.560 -5.642 22.795 1.00 0.00 H new ATOM 0 H41 DC B 1 4.137 0.904 21.919 1.00 0.00 H new ATOM 0 H42 DC B 1 2.408 0.540 21.937 1.00 0.00 H new ATOM 0 H5 DC B 1 5.837 -0.796 22.281 1.00 0.00 H new ATOM 0 H6 DC B 1 6.230 -3.179 22.620 1.00 0.00 H new ATOM 282 P DG B 2 5.729 -8.833 20.870 1.00 0.00 P ATOM 283 OP1 DG B 2 5.774 -10.304 21.025 1.00 0.00 O ATOM 284 OP2 DG B 2 6.624 -8.166 19.899 1.00 0.00 O ATOM 285 O5' DG B 2 4.205 -8.411 20.538 1.00 0.00 O ATOM 286 C5' DG B 2 3.141 -8.644 21.447 1.00 0.00 C ATOM 287 C4' DG B 2 1.803 -8.241 20.845 1.00 0.00 C ATOM 288 O4' DG B 2 1.677 -6.832 20.941 1.00 0.00 O ATOM 289 C3' DG B 2 1.642 -8.659 19.377 1.00 0.00 C ATOM 290 O3' DG B 2 0.351 -9.218 19.244 1.00 0.00 O ATOM 291 C2' DG B 2 1.881 -7.307 18.719 1.00 0.00 C ATOM 292 C1' DG B 2 1.194 -6.376 19.706 1.00 0.00 C ATOM 293 N9 DG B 2 1.560 -4.962 19.471 1.00 0.00 N ATOM 294 C8 DG B 2 2.791 -4.478 19.122 1.00 0.00 C ATOM 295 N7 DG B 2 2.872 -3.181 19.074 1.00 0.00 N ATOM 296 C5 DG B 2 1.584 -2.766 19.387 1.00 0.00 C ATOM 297 C6 DG B 2 1.060 -1.446 19.494 1.00 0.00 C ATOM 298 O6 DG B 2 1.681 -0.390 19.431 1.00 0.00 O ATOM 299 N1 DG B 2 -0.317 -1.432 19.695 1.00 0.00 N ATOM 300 C2 DG B 2 -1.088 -2.568 19.863 1.00 0.00 C ATOM 301 N2 DG B 2 -2.402 -2.385 20.038 1.00 0.00 N ATOM 302 N3 DG B 2 -0.579 -3.813 19.854 1.00 0.00 N ATOM 303 C4 DG B 2 0.759 -3.847 19.598 1.00 0.00 C ATOM 0 H5' DG B 2 3.314 -8.082 22.365 1.00 0.00 H new ATOM 0 H5'' DG B 2 3.117 -9.699 21.720 1.00 0.00 H new ATOM 0 H4' DG B 2 1.025 -8.759 21.405 1.00 0.00 H new ATOM 0 H3' DG B 2 2.292 -9.422 18.948 1.00 0.00 H new ATOM 0 H2' DG B 2 2.942 -7.083 18.612 1.00 0.00 H new ATOM 0 H2'' DG B 2 1.441 -7.250 17.724 1.00 0.00 H new ATOM 0 H1' DG B 2 0.107 -6.395 19.630 1.00 0.00 H new ATOM 0 H8 DG B 2 3.630 -5.122 18.904 1.00 0.00 H new ATOM 0 H1 DG B 2 -0.787 -0.527 19.720 1.00 0.00 H new ATOM 0 H21 DG B 2 -3.016 -3.189 20.167 1.00 0.00 H new ATOM 0 H22 DG B 2 -2.789 -1.441 20.043 1.00 0.00 H new ATOM 315 P DC B 3 -0.344 -9.492 17.826 1.00 0.00 P ATOM 316 OP1 DC B 3 -1.175 -10.712 17.935 1.00 0.00 O ATOM 317 OP2 DC B 3 0.662 -9.372 16.748 1.00 0.00 O ATOM 318 O5' DC B 3 -1.308 -8.208 17.787 1.00 0.00 O ATOM 319 C5' DC B 3 -2.400 -8.091 18.682 1.00 0.00 C ATOM 320 C4' DC B 3 -3.279 -6.917 18.256 1.00 0.00 C ATOM 321 O4' DC B 3 -2.569 -5.700 18.354 1.00 0.00 O ATOM 322 C3' DC B 3 -3.785 -7.080 16.815 1.00 0.00 C ATOM 323 O3' DC B 3 -5.202 -7.096 16.845 1.00 0.00 O ATOM 324 C2' DC B 3 -3.164 -5.894 16.098 1.00 0.00 C ATOM 325 C1' DC B 3 -2.855 -4.911 17.217 1.00 0.00 C ATOM 326 N1 DC B 3 -1.640 -4.139 16.860 1.00 0.00 N ATOM 327 C2 DC B 3 -1.703 -2.759 16.672 1.00 0.00 C ATOM 328 O2 DC B 3 -2.758 -2.140 16.781 1.00 0.00 O ATOM 329 N3 DC B 3 -0.549 -2.102 16.361 1.00 0.00 N ATOM 330 C4 DC B 3 0.614 -2.754 16.207 1.00 0.00 C ATOM 331 N4 DC B 3 1.723 -2.056 15.948 1.00 0.00 N ATOM 332 C5 DC B 3 0.683 -4.177 16.349 1.00 0.00 C ATOM 333 C6 DC B 3 -0.455 -4.810 16.694 1.00 0.00 C ATOM 0 H5' DC B 3 -2.037 -7.938 19.698 1.00 0.00 H new ATOM 0 H5'' DC B 3 -2.982 -9.013 18.686 1.00 0.00 H new ATOM 0 H4' DC B 3 -4.135 -6.902 18.930 1.00 0.00 H new ATOM 0 H3' DC B 3 -3.510 -8.002 16.302 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.262 -6.181 15.558 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.850 -5.465 15.367 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.681 -4.221 17.390 1.00 0.00 H new ATOM 0 H41 DC B 3 2.613 -2.539 15.829 1.00 0.00 H new ATOM 0 H42 DC B 3 1.679 -1.040 15.869 1.00 0.00 H new ATOM 0 H5 DC B 3 1.604 -4.717 16.187 1.00 0.00 H new ATOM 0 H6 DC B 3 -0.434 -5.879 16.845 1.00 0.00 H new ATOM 345 P DT B 4 -6.107 -7.154 15.513 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.479 -7.548 15.904 1.00 0.00 O ATOM 347 OP2 DT B 4 -5.382 -7.925 14.479 1.00 0.00 O ATOM 348 O5' DT B 4 -6.131 -5.606 15.070 1.00 0.00 O ATOM 349 C5' DT B 4 -6.602 -4.596 15.943 1.00 0.00 C ATOM 350 C4' DT B 4 -6.611 -3.235 15.245 1.00 0.00 C ATOM 351 O4' DT B 4 -5.280 -2.777 15.104 1.00 0.00 O ATOM 352 C3' DT B 4 -7.267 -3.281 13.863 1.00 0.00 C ATOM 353 O3' DT B 4 -8.416 -2.457 13.804 1.00 0.00 O ATOM 354 C2' DT B 4 -6.137 -2.843 12.933 1.00 0.00 C ATOM 355 C1' DT B 4 -5.138 -2.146 13.851 1.00 0.00 C ATOM 356 N1 DT B 4 -3.714 -2.268 13.419 1.00 0.00 N ATOM 357 C2 DT B 4 -2.935 -1.112 13.365 1.00 0.00 C ATOM 358 O2 DT B 4 -3.404 0.022 13.407 1.00 0.00 O ATOM 359 N3 DT B 4 -1.565 -1.300 13.258 1.00 0.00 N ATOM 360 C4 DT B 4 -0.901 -2.516 13.193 1.00 0.00 C ATOM 361 O4 DT B 4 0.326 -2.535 13.109 1.00 0.00 O ATOM 362 C5 DT B 4 -1.777 -3.675 13.236 1.00 0.00 C ATOM 363 C7 DT B 4 -1.184 -5.079 13.246 1.00 0.00 C ATOM 364 C6 DT B 4 -3.123 -3.510 13.334 1.00 0.00 C ATOM 0 H5' DT B 4 -5.969 -4.551 16.829 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.608 -4.842 16.282 1.00 0.00 H new ATOM 0 H4' DT B 4 -7.199 -2.558 15.865 1.00 0.00 H new ATOM 0 H3' DT B 4 -7.656 -4.261 13.588 1.00 0.00 H new ATOM 0 H2' DT B 4 -5.684 -3.697 12.428 1.00 0.00 H new ATOM 0 H2'' DT B 4 -6.500 -2.170 12.157 1.00 0.00 H new ATOM 0 H1' DT B 4 -5.353 -1.077 13.854 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.988 -0.460 13.224 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.849 -5.751 13.789 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.068 -5.432 12.221 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.210 -5.059 13.735 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.754 -4.387 13.346 1.00 0.00 H new ATOM 377 P DA B 5 -9.341 -2.383 12.480 1.00 0.00 P ATOM 378 OP1 DA B 5 -10.728 -2.072 12.894 1.00 0.00 O ATOM 379 OP2 DA B 5 -9.072 -3.569 11.636 1.00 0.00 O ATOM 380 O5' DA B 5 -8.725 -1.092 11.745 1.00 0.00 O ATOM 381 C5' DA B 5 -8.988 0.202 12.242 1.00 0.00 C ATOM 382 C4' DA B 5 -8.152 1.275 11.547 1.00 0.00 C ATOM 383 O4' DA B 5 -6.787 0.898 11.611 1.00 0.00 O ATOM 384 C3' DA B 5 -8.533 1.422 10.066 1.00 0.00 C ATOM 385 O3' DA B 5 -8.312 2.722 9.570 1.00 0.00 O ATOM 386 C2' DA B 5 -7.482 0.563 9.405 1.00 0.00 C ATOM 387 C1' DA B 5 -6.287 0.911 10.293 1.00 0.00 C ATOM 388 N9 DA B 5 -5.156 -0.022 10.135 1.00 0.00 N ATOM 389 C8 DA B 5 -5.162 -1.369 9.888 1.00 0.00 C ATOM 390 N7 DA B 5 -3.971 -1.911 9.860 1.00 0.00 N ATOM 391 C5 DA B 5 -3.112 -0.835 10.077 1.00 0.00 C ATOM 392 C6 DA B 5 -1.705 -0.698 10.149 1.00 0.00 C ATOM 393 N6 DA B 5 -0.844 -1.720 10.044 1.00 0.00 N ATOM 394 N1 DA B 5 -1.200 0.535 10.337 1.00 0.00 N ATOM 395 C2 DA B 5 -2.026 1.570 10.465 1.00 0.00 C ATOM 396 N3 DA B 5 -3.349 1.571 10.444 1.00 0.00 N ATOM 397 C4 DA B 5 -3.836 0.320 10.241 1.00 0.00 C ATOM 0 H5' DA B 5 -8.786 0.225 13.313 1.00 0.00 H new ATOM 0 H5'' DA B 5 -10.046 0.430 12.113 1.00 0.00 H new ATOM 0 H4' DA B 5 -8.334 2.224 12.051 1.00 0.00 H new ATOM 0 H3' DA B 5 -9.582 1.176 9.900 1.00 0.00 H new ATOM 0 H2' DA B 5 -7.730 -0.498 9.431 1.00 0.00 H new ATOM 0 H2'' DA B 5 -7.320 0.827 8.360 1.00 0.00 H new ATOM 0 H1' DA B 5 -5.875 1.882 10.017 1.00 0.00 H new ATOM 0 H8 DA B 5 -6.069 -1.934 9.730 1.00 0.00 H new ATOM 0 H61 DA B 5 0.160 -1.550 10.105 1.00 0.00 H new ATOM 0 H62 DA B 5 -1.193 -2.668 9.903 1.00 0.00 H new ATOM 0 H2 DA B 5 -1.557 2.533 10.604 1.00 0.00 H new ATOM 409 P DG B 6 -9.375 3.907 9.727 1.00 0.00 P ATOM 410 OP1 DG B 6 -9.577 4.205 11.162 1.00 0.00 O ATOM 411 OP2 DG B 6 -10.534 3.626 8.852 1.00 0.00 O ATOM 412 O5' DG B 6 -8.500 5.081 9.068 1.00 0.00 O ATOM 413 C5' DG B 6 -7.238 5.449 9.597 1.00 0.00 C ATOM 414 C4' DG B 6 -6.055 5.182 8.648 1.00 0.00 C ATOM 415 O4' DG B 6 -5.329 3.965 8.838 1.00 0.00 O ATOM 416 C3' DG B 6 -6.347 5.273 7.141 1.00 0.00 C ATOM 417 O3' DG B 6 -5.964 6.548 6.654 1.00 0.00 O ATOM 418 C2' DG B 6 -5.581 4.079 6.585 1.00 0.00 C ATOM 419 C1' DG B 6 -4.560 3.765 7.656 1.00 0.00 C ATOM 420 N9 DG B 6 -3.937 2.432 7.443 1.00 0.00 N ATOM 421 C8 DG B 6 -4.508 1.222 7.122 1.00 0.00 C ATOM 422 N7 DG B 6 -3.657 0.252 6.950 1.00 0.00 N ATOM 423 C5 DG B 6 -2.424 0.864 7.118 1.00 0.00 C ATOM 424 C6 DG B 6 -1.115 0.317 7.009 1.00 0.00 C ATOM 425 O6 DG B 6 -0.807 -0.861 6.861 1.00 0.00 O ATOM 426 N1 DG B 6 -0.125 1.292 7.087 1.00 0.00 N ATOM 427 C2 DG B 6 -0.362 2.637 7.292 1.00 0.00 C ATOM 428 N2 DG B 6 0.696 3.454 7.287 1.00 0.00 N ATOM 429 N3 DG B 6 -1.594 3.142 7.452 1.00 0.00 N ATOM 430 C4 DG B 6 -2.581 2.209 7.351 1.00 0.00 C ATOM 0 H5' DG B 6 -7.073 4.905 10.527 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.257 6.510 9.847 1.00 0.00 H new ATOM 0 H4' DG B 6 -5.441 6.026 8.963 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.394 5.211 6.846 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.242 3.231 6.403 1.00 0.00 H new ATOM 0 H2'' DG B 6 -5.102 4.319 5.636 1.00 0.00 H new ATOM 0 H1' DG B 6 -3.663 4.383 7.680 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.575 1.088 7.021 1.00 0.00 H new ATOM 0 H1 DG B 6 0.845 0.992 6.986 1.00 0.00 H new ATOM 0 H21 DG B 6 0.568 4.455 7.434 1.00 0.00 H new ATOM 0 H22 DG B 6 1.631 3.076 7.136 1.00 0.00 H new ATOM 442 P DC B 7 -5.874 6.915 5.081 1.00 0.00 P ATOM 443 OP1 DC B 7 -6.170 8.356 4.923 1.00 0.00 O ATOM 444 OP2 DC B 7 -6.634 5.916 4.297 1.00 0.00 O ATOM 445 O5' DC B 7 -4.297 6.690 4.818 1.00 0.00 O ATOM 446 C5' DC B 7 -3.353 7.325 5.658 1.00 0.00 C ATOM 447 C4' DC B 7 -1.908 7.213 5.169 1.00 0.00 C ATOM 448 O4' DC B 7 -1.413 5.902 5.370 1.00 0.00 O ATOM 449 C3' DC B 7 -1.734 7.628 3.712 1.00 0.00 C ATOM 450 O3' DC B 7 -0.611 8.489 3.602 1.00 0.00 O ATOM 451 C2' DC B 7 -1.548 6.267 3.088 1.00 0.00 C ATOM 452 C1' DC B 7 -0.854 5.436 4.162 1.00 0.00 C ATOM 453 N1 DC B 7 -1.192 3.996 4.011 1.00 0.00 N ATOM 454 C2 DC B 7 -0.200 3.017 3.893 1.00 0.00 C ATOM 455 O2 DC B 7 0.993 3.308 3.844 1.00 0.00 O ATOM 456 N3 DC B 7 -0.592 1.707 3.832 1.00 0.00 N ATOM 457 C4 DC B 7 -1.891 1.365 3.884 1.00 0.00 C ATOM 458 N4 DC B 7 -2.234 0.076 3.849 1.00 0.00 N ATOM 459 C5 DC B 7 -2.916 2.358 4.020 1.00 0.00 C ATOM 460 C6 DC B 7 -2.511 3.639 4.081 1.00 0.00 C ATOM 0 H5' DC B 7 -3.422 6.893 6.656 1.00 0.00 H new ATOM 0 H5'' DC B 7 -3.614 8.379 5.748 1.00 0.00 H new ATOM 0 H4' DC B 7 -1.326 7.915 5.766 1.00 0.00 H new ATOM 0 H3' DC B 7 -2.538 8.198 3.246 1.00 0.00 H new ATOM 0 H2' DC B 7 -2.505 5.828 2.805 1.00 0.00 H new ATOM 0 H2'' DC B 7 -0.944 6.326 2.182 1.00 0.00 H new ATOM 0 H1' DC B 7 0.231 5.530 4.111 1.00 0.00 H new ATOM 0 H41 DC B 7 -3.218 -0.191 3.888 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.513 -0.642 3.783 1.00 0.00 H new ATOM 0 H5 DC B 7 -3.961 2.091 4.071 1.00 0.00 H new ATOM 0 H6 DC B 7 -3.255 4.415 4.189 1.00 0.00 H new ATOM 472 P DG B 8 -0.165 9.175 2.209 1.00 0.00 P ATOM 473 OP1 DG B 8 0.749 10.297 2.516 1.00 0.00 O ATOM 474 OP2 DG B 8 -1.373 9.415 1.388 1.00 0.00 O ATOM 475 O5' DG B 8 0.693 8.006 1.511 1.00 0.00 O ATOM 476 C5' DG B 8 1.889 7.528 2.092 1.00 0.00 C ATOM 477 C4' DG B 8 2.475 6.385 1.258 1.00 0.00 C ATOM 478 O4' DG B 8 1.755 5.194 1.525 1.00 0.00 O ATOM 479 C3' DG B 8 2.425 6.626 -0.262 1.00 0.00 C ATOM 480 O3' DG B 8 3.663 6.313 -0.867 1.00 0.00 O ATOM 481 C2' DG B 8 1.363 5.626 -0.708 1.00 0.00 C ATOM 482 C1' DG B 8 1.607 4.513 0.301 1.00 0.00 C ATOM 483 N9 DG B 8 0.529 3.503 0.369 1.00 0.00 N ATOM 484 C8 DG B 8 -0.834 3.673 0.355 1.00 0.00 C ATOM 485 N7 DG B 8 -1.507 2.565 0.513 1.00 0.00 N ATOM 486 C5 DG B 8 -0.525 1.585 0.629 1.00 0.00 C ATOM 487 C6 DG B 8 -0.639 0.172 0.818 1.00 0.00 C ATOM 488 O6 DG B 8 -1.661 -0.499 0.939 1.00 0.00 O ATOM 489 N1 DG B 8 0.602 -0.463 0.862 1.00 0.00 N ATOM 490 C2 DG B 8 1.814 0.186 0.730 1.00 0.00 C ATOM 491 N2 DG B 8 2.919 -0.565 0.766 1.00 0.00 N ATOM 492 N3 DG B 8 1.924 1.513 0.572 1.00 0.00 N ATOM 493 C4 DG B 8 0.723 2.152 0.530 1.00 0.00 C ATOM 0 H5' DG B 8 1.693 7.182 3.107 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.613 8.339 2.166 1.00 0.00 H new ATOM 0 H4' DG B 8 3.524 6.314 1.547 1.00 0.00 H new ATOM 0 H3' DG B 8 2.212 7.661 -0.529 1.00 0.00 H new ATOM 0 H2' DG B 8 0.354 6.033 -0.643 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.508 5.295 -1.736 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.605 6.473 -1.832 1.00 0.00 H new ATOM 0 H1' DG B 8 2.479 3.922 0.021 1.00 0.00 H new ATOM 0 H8 DG B 8 -1.306 4.636 0.225 1.00 0.00 H new ATOM 0 H1 DG B 8 0.615 -1.473 1.001 1.00 0.00 H new ATOM 0 H21 DG B 8 3.836 -0.128 0.672 1.00 0.00 H new ATOM 0 H22 DG B 8 2.845 -1.575 0.887 1.00 0.00 H new TER 506 DG B 8