USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 186 hydrogens (13 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 DG O5' : rot 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.497 (180deg=-1.48) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 29:sc= 0.0655 USER MOD Single : B 11 DT C7 :methyl -30:sc= -0.427 (180deg=-1.01) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.786 (180deg=-2.35!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.771 -8.152 -1.326 1.00 0.00 O ATOM 2 C5' DG A 1 2.013 -8.596 -1.856 1.00 0.00 C ATOM 3 C4' DG A 1 3.235 -7.957 -1.170 1.00 0.00 C ATOM 4 O4' DG A 1 3.288 -6.562 -1.463 1.00 0.00 O ATOM 5 C3' DG A 1 3.253 -8.124 0.355 1.00 0.00 C ATOM 6 O3' DG A 1 4.582 -8.378 0.784 1.00 0.00 O ATOM 7 C2' DG A 1 2.726 -6.784 0.803 1.00 0.00 C ATOM 8 C1' DG A 1 3.265 -5.827 -0.248 1.00 0.00 C ATOM 9 N9 DG A 1 2.382 -4.647 -0.366 1.00 0.00 N ATOM 10 C8 DG A 1 1.035 -4.624 -0.609 1.00 0.00 C ATOM 11 N7 DG A 1 0.515 -3.430 -0.664 1.00 0.00 N ATOM 12 C5 DG A 1 1.598 -2.588 -0.395 1.00 0.00 C ATOM 13 C6 DG A 1 1.694 -1.155 -0.303 1.00 0.00 C ATOM 14 O6 DG A 1 0.832 -0.296 -0.482 1.00 0.00 O ATOM 15 N1 DG A 1 2.966 -0.717 0.016 1.00 0.00 N ATOM 16 C2 DG A 1 4.031 -1.540 0.220 1.00 0.00 C ATOM 17 N2 DG A 1 5.172 -0.981 0.541 1.00 0.00 N ATOM 18 N3 DG A 1 3.986 -2.869 0.132 1.00 0.00 N ATOM 19 C4 DG A 1 2.741 -3.333 -0.184 1.00 0.00 C ATOM 0 H5' DG A 1 2.046 -8.371 -2.922 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.075 -9.680 -1.757 1.00 0.00 H new ATOM 0 H4' DG A 1 4.101 -8.485 -1.569 1.00 0.00 H new ATOM 0 H3' DG A 1 2.670 -8.954 0.755 1.00 0.00 H new ATOM 0 H2' DG A 1 1.637 -6.771 0.838 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.080 -6.526 1.801 1.00 0.00 H new ATOM 0 HO5' DG A 1 0.036 -8.591 -1.803 1.00 0.00 H new ATOM 0 H1' DG A 1 4.257 -5.457 0.011 1.00 0.00 H new ATOM 0 H8 DG A 1 0.451 -5.522 -0.744 1.00 0.00 H new ATOM 0 H1 DG A 1 3.116 0.288 0.104 1.00 0.00 H new ATOM 0 H21 DG A 1 5.996 -1.560 0.703 1.00 0.00 H new ATOM 0 H22 DG A 1 5.236 0.033 0.629 1.00 0.00 H new ATOM 32 P DT A 2 4.960 -8.637 2.333 1.00 0.00 P ATOM 33 OP1 DT A 2 6.040 -9.645 2.371 1.00 0.00 O ATOM 34 OP2 DT A 2 3.708 -8.857 3.087 1.00 0.00 O ATOM 35 O5' DT A 2 5.573 -7.212 2.777 1.00 0.00 O ATOM 36 C5' DT A 2 6.799 -6.752 2.228 1.00 0.00 C ATOM 37 C4' DT A 2 7.318 -5.471 2.896 1.00 0.00 C ATOM 38 O4' DT A 2 6.432 -4.390 2.639 1.00 0.00 O ATOM 39 C3' DT A 2 7.499 -5.596 4.413 1.00 0.00 C ATOM 40 O3' DT A 2 8.711 -4.953 4.780 1.00 0.00 O ATOM 41 C2' DT A 2 6.266 -4.884 4.944 1.00 0.00 C ATOM 42 C1' DT A 2 6.033 -3.816 3.873 1.00 0.00 C ATOM 43 N1 DT A 2 4.621 -3.355 3.751 1.00 0.00 N ATOM 44 C2 DT A 2 4.385 -1.977 3.665 1.00 0.00 C ATOM 45 O2 DT A 2 5.260 -1.126 3.781 1.00 0.00 O ATOM 46 N3 DT A 2 3.086 -1.587 3.415 1.00 0.00 N ATOM 47 C4 DT A 2 2.010 -2.432 3.241 1.00 0.00 C ATOM 48 O4 DT A 2 0.922 -1.947 2.950 1.00 0.00 O ATOM 49 C5 DT A 2 2.309 -3.851 3.409 1.00 0.00 C ATOM 50 C7 DT A 2 1.199 -4.885 3.299 1.00 0.00 C ATOM 51 C6 DT A 2 3.582 -4.259 3.644 1.00 0.00 C ATOM 0 H5' DT A 2 6.666 -6.570 1.162 1.00 0.00 H new ATOM 0 H5'' DT A 2 7.550 -7.535 2.326 1.00 0.00 H new ATOM 0 H4' DT A 2 8.301 -5.290 2.461 1.00 0.00 H new ATOM 0 H3' DT A 2 7.576 -6.612 4.800 1.00 0.00 H new ATOM 0 H2' DT A 2 5.415 -5.558 5.041 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.439 -4.446 5.927 1.00 0.00 H new ATOM 0 H1' DT A 2 6.606 -2.932 4.154 1.00 0.00 H new ATOM 0 H3 DT A 2 2.905 -0.585 3.353 1.00 0.00 H new ATOM 0 H71 DT A 2 0.256 -4.443 3.621 1.00 0.00 H new ATOM 0 H72 DT A 2 1.110 -5.215 2.264 1.00 0.00 H new ATOM 0 H73 DT A 2 1.434 -5.740 3.933 1.00 0.00 H new ATOM 0 H6 DT A 2 3.787 -5.314 3.750 1.00 0.00 H new ATOM 64 P DA A 3 9.289 -5.000 6.287 1.00 0.00 P ATOM 65 OP1 DA A 3 10.760 -4.872 6.214 1.00 0.00 O ATOM 66 OP2 DA A 3 8.678 -6.149 6.988 1.00 0.00 O ATOM 67 O5' DA A 3 8.689 -3.640 6.914 1.00 0.00 O ATOM 68 C5' DA A 3 9.194 -2.381 6.503 1.00 0.00 C ATOM 69 C4' DA A 3 8.531 -1.200 7.221 1.00 0.00 C ATOM 70 O4' DA A 3 7.210 -1.014 6.729 1.00 0.00 O ATOM 71 C3' DA A 3 8.458 -1.346 8.748 1.00 0.00 C ATOM 72 O3' DA A 3 8.991 -0.154 9.302 1.00 0.00 O ATOM 73 C2' DA A 3 6.956 -1.504 8.988 1.00 0.00 C ATOM 74 C1' DA A 3 6.359 -0.721 7.819 1.00 0.00 C ATOM 75 N9 DA A 3 4.977 -1.121 7.462 1.00 0.00 N ATOM 76 C8 DA A 3 4.451 -2.385 7.330 1.00 0.00 C ATOM 77 N7 DA A 3 3.220 -2.418 6.900 1.00 0.00 N ATOM 78 C5 DA A 3 2.892 -1.061 6.780 1.00 0.00 C ATOM 79 C6 DA A 3 1.731 -0.355 6.387 1.00 0.00 C ATOM 80 N6 DA A 3 0.622 -0.943 5.973 1.00 0.00 N ATOM 81 N1 DA A 3 1.701 0.983 6.414 1.00 0.00 N ATOM 82 C2 DA A 3 2.805 1.619 6.801 1.00 0.00 C ATOM 83 N3 DA A 3 3.974 1.092 7.155 1.00 0.00 N ATOM 84 C4 DA A 3 3.951 -0.267 7.130 1.00 0.00 C ATOM 0 H5' DA A 3 9.049 -2.272 5.428 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.268 -2.351 6.684 1.00 0.00 H new ATOM 0 H4' DA A 3 9.167 -0.341 7.011 1.00 0.00 H new ATOM 0 H3' DA A 3 9.013 -2.172 9.192 1.00 0.00 H new ATOM 0 H2' DA A 3 6.650 -2.550 8.976 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.652 -1.093 9.951 1.00 0.00 H new ATOM 0 H1' DA A 3 6.295 0.335 8.083 1.00 0.00 H new ATOM 0 H8 DA A 3 5.012 -3.278 7.563 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.184 -0.379 5.703 1.00 0.00 H new ATOM 0 H62 DA A 3 0.572 -1.961 5.924 1.00 0.00 H new ATOM 0 H2 DA A 3 2.744 2.697 6.831 1.00 0.00 H new ATOM 96 P DC A 4 9.140 0.106 10.889 1.00 0.00 P ATOM 97 OP1 DC A 4 10.463 0.721 11.134 1.00 0.00 O ATOM 98 OP2 DC A 4 8.733 -1.111 11.623 1.00 0.00 O ATOM 99 O5' DC A 4 8.010 1.231 11.084 1.00 0.00 O ATOM 100 C5' DC A 4 8.122 2.474 10.407 1.00 0.00 C ATOM 101 C4' DC A 4 6.824 3.280 10.472 1.00 0.00 C ATOM 102 O4' DC A 4 5.761 2.486 9.965 1.00 0.00 O ATOM 103 C3' DC A 4 6.459 3.747 11.886 1.00 0.00 C ATOM 104 O3' DC A 4 6.138 5.130 11.839 1.00 0.00 O ATOM 105 C2' DC A 4 5.243 2.893 12.220 1.00 0.00 C ATOM 106 C1' DC A 4 4.659 2.625 10.833 1.00 0.00 C ATOM 107 N1 DC A 4 3.790 1.417 10.725 1.00 0.00 N ATOM 108 C2 DC A 4 2.581 1.541 10.039 1.00 0.00 C ATOM 109 O2 DC A 4 2.168 2.631 9.651 1.00 0.00 O ATOM 110 N3 DC A 4 1.815 0.448 9.800 1.00 0.00 N ATOM 111 C4 DC A 4 2.184 -0.722 10.282 1.00 0.00 C ATOM 112 N4 DC A 4 1.436 -1.744 9.952 1.00 0.00 N ATOM 113 C5 DC A 4 3.338 -0.884 11.101 1.00 0.00 C ATOM 114 C6 DC A 4 4.143 0.200 11.264 1.00 0.00 C ATOM 0 H5' DC A 4 8.387 2.297 9.365 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.932 3.055 10.847 1.00 0.00 H new ATOM 0 H4' DC A 4 6.982 4.176 9.872 1.00 0.00 H new ATOM 0 H3' DC A 4 7.251 3.638 12.627 1.00 0.00 H new ATOM 0 H2' DC A 4 5.519 1.971 12.733 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.539 3.418 12.866 1.00 0.00 H new ATOM 0 H1' DC A 4 3.999 3.456 10.584 1.00 0.00 H new ATOM 0 H41 DC A 4 1.668 -2.677 10.293 1.00 0.00 H new ATOM 0 H42 DC A 4 0.621 -1.607 9.354 1.00 0.00 H new ATOM 0 H5 DC A 4 3.564 -1.829 11.573 1.00 0.00 H new ATOM 0 H6 DC A 4 5.064 0.106 11.819 1.00 0.00 H new HETATM 126 P NCX A 5 6.095 6.045 13.169 1.00 0.00 P HETATM 127 OP1 NCX A 5 6.248 7.457 12.753 1.00 0.00 O HETATM 128 OP2 NCX A 5 7.031 5.468 14.158 1.00 0.00 O HETATM 129 O5' NCX A 5 4.593 5.842 13.720 1.00 0.00 O HETATM 130 C5' NCX A 5 3.492 6.516 13.132 1.00 0.00 C HETATM 131 C4' NCX A 5 2.192 6.337 13.933 1.00 0.00 C HETATM 132 O4' NCX A 5 1.579 5.087 13.636 1.00 0.00 O HETATM 133 C1' NCX A 5 1.259 4.447 14.859 1.00 0.00 C HETATM 134 N9 NCX A 5 1.202 2.982 14.654 1.00 0.00 N HETATM 135 C8 NCX A 5 2.196 2.033 14.904 1.00 0.00 C HETATM 136 C7 NCX A 5 1.696 0.764 14.665 1.00 0.00 C HETATM 137 CO7 NCX A 5 2.514 -0.462 14.743 1.00 0.00 C HETATM 138 O7 NCX A 5 3.642 -0.538 15.169 1.00 0.00 O HETATM 139 NH7 NCX A 5 1.983 -1.579 14.247 1.00 0.00 N HETATM 140 C5 NCX A 5 0.307 0.956 14.422 1.00 0.00 C HETATM 141 C4 NCX A 5 0.070 2.297 14.374 1.00 0.00 C HETATM 142 C3 NCX A 5 -1.209 2.802 14.144 1.00 0.00 C HETATM 143 C2 NCX A 5 -2.273 1.898 14.123 1.00 0.00 C HETATM 144 C1 NCX A 5 -2.052 0.520 14.302 1.00 0.00 C HETATM 145 N1 NCX A 5 -3.200 -0.422 14.451 1.00 0.00 N HETATM 146 O11 NCX A 5 -4.323 0.051 14.515 1.00 0.00 O HETATM 147 O12 NCX A 5 -2.940 -1.614 14.476 1.00 0.00 O HETATM 148 C6 NCX A 5 -0.734 0.042 14.385 1.00 0.00 C HETATM 149 C3' NCX A 5 2.395 6.404 15.453 1.00 0.00 C HETATM 150 C2' NCX A 5 2.323 4.934 15.841 1.00 0.00 C HETATM 151 O3' NCX A 5 1.318 7.144 15.996 1.00 0.00 O HETATM 0 HH72 NCX A 5 2.510 -2.452 14.278 1.00 0.00 H new HETATM 0 HH71 NCX A 5 1.049 -1.561 13.836 1.00 0.00 H new HETATM 0 H5'' NCX A 5 3.722 7.579 13.052 1.00 0.00 H new HETATM 0 H2'' NCX A 5 2.026 4.792 16.880 1.00 0.00 H new HETATM 0 H8 NCX A 5 3.210 2.257 15.236 1.00 0.00 H new HETATM 0 H6 NCX A 5 -0.533 -1.029 14.420 1.00 0.00 H new HETATM 0 H5' NCX A 5 3.343 6.145 12.118 1.00 0.00 H new HETATM 0 H4' NCX A 5 1.557 7.170 13.631 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.314 6.879 15.796 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.373 3.868 13.986 1.00 0.00 H new HETATM 0 H2' NCX A 5 3.276 4.422 15.709 1.00 0.00 H new HETATM 0 H2 NCX A 5 -3.287 2.264 13.966 1.00 0.00 H new HETATM 0 H1' NCX A 5 0.275 4.691 15.259 1.00 0.00 H new ATOM 165 P DA A 6 1.348 7.788 17.474 1.00 0.00 P ATOM 166 OP1 DA A 6 1.634 9.233 17.359 1.00 0.00 O ATOM 167 OP2 DA A 6 2.148 6.926 18.368 1.00 0.00 O ATOM 168 O5' DA A 6 -0.192 7.594 17.876 1.00 0.00 O ATOM 169 C5' DA A 6 -1.228 8.201 17.126 1.00 0.00 C ATOM 170 C4' DA A 6 -2.591 7.583 17.457 1.00 0.00 C ATOM 171 O4' DA A 6 -2.587 6.203 17.108 1.00 0.00 O ATOM 172 C3' DA A 6 -2.974 7.706 18.933 1.00 0.00 C ATOM 173 O3' DA A 6 -4.374 7.936 19.005 1.00 0.00 O ATOM 174 C2' DA A 6 -2.529 6.356 19.481 1.00 0.00 C ATOM 175 C1' DA A 6 -2.668 5.412 18.282 1.00 0.00 C ATOM 176 N9 DA A 6 -1.639 4.338 18.248 1.00 0.00 N ATOM 177 C8 DA A 6 -0.294 4.395 18.545 1.00 0.00 C ATOM 178 N7 DA A 6 0.318 3.241 18.499 1.00 0.00 N ATOM 179 C5 DA A 6 -0.695 2.356 18.118 1.00 0.00 C ATOM 180 C6 DA A 6 -0.750 0.963 17.875 1.00 0.00 C ATOM 181 N6 DA A 6 0.290 0.150 17.993 1.00 0.00 N ATOM 182 N1 DA A 6 -1.894 0.387 17.485 1.00 0.00 N ATOM 183 C2 DA A 6 -2.967 1.164 17.345 1.00 0.00 C ATOM 184 N3 DA A 6 -3.064 2.473 17.554 1.00 0.00 N ATOM 185 C4 DA A 6 -1.880 3.017 17.943 1.00 0.00 C ATOM 0 H5' DA A 6 -1.024 8.087 16.061 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.251 9.271 17.334 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.328 8.141 16.879 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.524 8.523 19.496 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.503 6.391 19.846 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.153 6.037 20.316 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.625 4.897 18.360 1.00 0.00 H new ATOM 0 H8 DA A 6 0.212 5.316 18.795 1.00 0.00 H new ATOM 0 H61 DA A 6 0.183 -0.846 17.803 1.00 0.00 H new ATOM 0 H62 DA A 6 1.198 0.521 18.274 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.870 0.669 17.021 1.00 0.00 H new ATOM 197 P DC A 7 -5.171 8.088 20.400 1.00 0.00 P ATOM 198 OP1 DC A 7 -6.336 8.971 20.180 1.00 0.00 O ATOM 199 OP2 DC A 7 -4.198 8.388 21.474 1.00 0.00 O ATOM 200 O5' DC A 7 -5.705 6.585 20.603 1.00 0.00 O ATOM 201 C5' DC A 7 -6.645 6.026 19.698 1.00 0.00 C ATOM 202 C4' DC A 7 -6.886 4.535 19.954 1.00 0.00 C ATOM 203 O4' DC A 7 -5.681 3.804 19.719 1.00 0.00 O ATOM 204 C3' DC A 7 -7.354 4.207 21.381 1.00 0.00 C ATOM 205 O3' DC A 7 -8.355 3.204 21.296 1.00 0.00 O ATOM 206 C2' DC A 7 -6.055 3.724 21.993 1.00 0.00 C ATOM 207 C1' DC A 7 -5.503 2.922 20.812 1.00 0.00 C ATOM 208 N1 DC A 7 -4.080 2.514 20.966 1.00 0.00 N ATOM 209 C2 DC A 7 -3.722 1.187 20.696 1.00 0.00 C ATOM 210 O2 DC A 7 -4.539 0.362 20.289 1.00 0.00 O ATOM 211 N3 DC A 7 -2.446 0.769 20.896 1.00 0.00 N ATOM 212 C4 DC A 7 -1.554 1.620 21.370 1.00 0.00 C ATOM 213 N4 DC A 7 -0.333 1.171 21.517 1.00 0.00 N ATOM 214 C5 DC A 7 -1.867 2.977 21.672 1.00 0.00 C ATOM 215 C6 DC A 7 -3.138 3.388 21.448 1.00 0.00 C ATOM 0 H5' DC A 7 -6.289 6.164 18.677 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.590 6.564 19.781 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.685 4.250 19.269 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.807 5.012 21.960 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.399 4.544 22.286 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.212 3.110 22.880 1.00 0.00 H new ATOM 0 H1' DC A 7 -6.017 1.967 20.699 1.00 0.00 H new ATOM 0 H41 DC A 7 0.396 1.785 21.879 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.111 0.207 21.269 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.120 3.651 22.064 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.413 4.413 21.651 1.00 0.00 H new ATOM 227 P DG A 8 -9.190 2.678 22.572 1.00 0.00 P ATOM 228 OP1 DG A 8 -10.632 2.851 22.300 1.00 0.00 O ATOM 229 OP2 DG A 8 -8.594 3.215 23.814 1.00 0.00 O ATOM 230 O5' DG A 8 -8.848 1.111 22.501 1.00 0.00 O ATOM 231 C5' DG A 8 -9.264 0.330 21.391 1.00 0.00 C ATOM 232 C4' DG A 8 -9.010 -1.166 21.614 1.00 0.00 C ATOM 233 O4' DG A 8 -7.612 -1.409 21.584 1.00 0.00 O ATOM 234 C3' DG A 8 -9.552 -1.666 22.962 1.00 0.00 C ATOM 235 O3' DG A 8 -10.031 -2.996 22.855 1.00 0.00 O ATOM 236 C2' DG A 8 -8.318 -1.618 23.852 1.00 0.00 C ATOM 237 C1' DG A 8 -7.196 -1.889 22.848 1.00 0.00 C ATOM 238 N9 DG A 8 -5.923 -1.252 23.240 1.00 0.00 N ATOM 239 C8 DG A 8 -5.638 0.076 23.447 1.00 0.00 C ATOM 240 N7 DG A 8 -4.393 0.307 23.772 1.00 0.00 N ATOM 241 C5 DG A 8 -3.811 -0.966 23.793 1.00 0.00 C ATOM 242 C6 DG A 8 -2.471 -1.407 24.077 1.00 0.00 C ATOM 243 O6 DG A 8 -1.462 -0.756 24.345 1.00 0.00 O ATOM 244 N1 DG A 8 -2.333 -2.783 24.038 1.00 0.00 N ATOM 245 C2 DG A 8 -3.341 -3.649 23.747 1.00 0.00 C ATOM 246 N2 DG A 8 -3.055 -4.930 23.731 1.00 0.00 N ATOM 247 N3 DG A 8 -4.590 -3.281 23.474 1.00 0.00 N ATOM 248 C4 DG A 8 -4.758 -1.925 23.505 1.00 0.00 C ATOM 0 H5' DG A 8 -8.733 0.659 20.497 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.326 0.494 21.210 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.531 -1.701 20.820 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.389 -1.076 23.335 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.204 -0.650 24.341 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.352 -2.371 24.639 1.00 0.00 H new ATOM 0 HO3' DG A 8 -10.369 -3.293 23.726 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.009 -2.962 22.816 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.376 0.859 23.350 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.413 -3.175 24.241 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.782 -5.612 23.517 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.105 -5.243 23.932 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 4.898 -7.940 25.869 1.00 0.00 O ATOM 263 C5' DC B 9 3.959 -8.947 26.195 1.00 0.00 C ATOM 264 C4' DC B 9 2.688 -8.786 25.352 1.00 0.00 C ATOM 265 O4' DC B 9 2.232 -7.438 25.438 1.00 0.00 O ATOM 266 C3' DC B 9 2.876 -9.102 23.861 1.00 0.00 C ATOM 267 O3' DC B 9 1.758 -9.880 23.467 1.00 0.00 O ATOM 268 C2' DC B 9 2.882 -7.711 23.236 1.00 0.00 C ATOM 269 C1' DC B 9 1.851 -7.033 24.135 1.00 0.00 C ATOM 270 N1 DC B 9 1.761 -5.543 24.065 1.00 0.00 N ATOM 271 C2 DC B 9 0.498 -4.965 24.248 1.00 0.00 C ATOM 272 O2 DC B 9 -0.513 -5.651 24.391 1.00 0.00 O ATOM 273 N3 DC B 9 0.353 -3.618 24.263 1.00 0.00 N ATOM 274 C4 DC B 9 1.407 -2.850 24.053 1.00 0.00 C ATOM 275 N4 DC B 9 1.193 -1.558 24.071 1.00 0.00 N ATOM 276 C5 DC B 9 2.718 -3.379 23.853 1.00 0.00 C ATOM 277 C6 DC B 9 2.857 -4.731 23.867 1.00 0.00 C ATOM 0 H5' DC B 9 3.710 -8.891 27.255 1.00 0.00 H new ATOM 0 H5'' DC B 9 4.396 -9.930 26.022 1.00 0.00 H new ATOM 0 H4' DC B 9 1.975 -9.503 25.760 1.00 0.00 H new ATOM 0 H3' DC B 9 3.769 -9.662 23.582 1.00 0.00 H new ATOM 0 H2' DC B 9 3.860 -7.233 23.285 1.00 0.00 H new ATOM 0 H2'' DC B 9 2.584 -7.720 22.188 1.00 0.00 H new ATOM 0 HO5' DC B 9 4.425 -7.135 25.571 1.00 0.00 H new ATOM 0 H1' DC B 9 0.854 -7.334 23.815 1.00 0.00 H new ATOM 0 H41 DC B 9 1.966 -0.911 23.916 1.00 0.00 H new ATOM 0 H42 DC B 9 0.253 -1.199 24.240 1.00 0.00 H new ATOM 0 H5 DC B 9 3.567 -2.730 23.697 1.00 0.00 H new ATOM 0 H6 DC B 9 3.832 -5.172 23.722 1.00 0.00 H new ATOM 290 P DG B 10 1.593 -10.496 21.987 1.00 0.00 P ATOM 291 OP1 DG B 10 1.232 -11.923 22.130 1.00 0.00 O ATOM 292 OP2 DG B 10 2.767 -10.102 21.179 1.00 0.00 O ATOM 293 O5' DG B 10 0.304 -9.683 21.459 1.00 0.00 O ATOM 294 C5' DG B 10 -0.988 -9.957 21.985 1.00 0.00 C ATOM 295 C4' DG B 10 -2.122 -9.256 21.218 1.00 0.00 C ATOM 296 O4' DG B 10 -2.129 -7.877 21.559 1.00 0.00 O ATOM 297 C3' DG B 10 -2.015 -9.384 19.693 1.00 0.00 C ATOM 298 O3' DG B 10 -3.310 -9.555 19.131 1.00 0.00 O ATOM 299 C2' DG B 10 -1.411 -8.042 19.325 1.00 0.00 C ATOM 300 C1' DG B 10 -2.039 -7.120 20.369 1.00 0.00 C ATOM 301 N9 DG B 10 -1.218 -5.918 20.611 1.00 0.00 N ATOM 302 C8 DG B 10 0.126 -5.849 20.863 1.00 0.00 C ATOM 303 N7 DG B 10 0.584 -4.637 21.010 1.00 0.00 N ATOM 304 C5 DG B 10 -0.551 -3.833 20.839 1.00 0.00 C ATOM 305 C6 DG B 10 -0.727 -2.407 20.873 1.00 0.00 C ATOM 306 O6 DG B 10 0.099 -1.517 21.067 1.00 0.00 O ATOM 307 N1 DG B 10 -2.036 -2.015 20.657 1.00 0.00 N ATOM 308 C2 DG B 10 -3.066 -2.875 20.423 1.00 0.00 C ATOM 309 N2 DG B 10 -4.251 -2.353 20.221 1.00 0.00 N ATOM 310 N3 DG B 10 -2.938 -4.199 20.364 1.00 0.00 N ATOM 311 C4 DG B 10 -1.657 -4.619 20.590 1.00 0.00 C ATOM 0 H5' DG B 10 -1.020 -9.647 23.029 1.00 0.00 H new ATOM 0 H5'' DG B 10 -1.159 -11.033 21.967 1.00 0.00 H new ATOM 0 H4' DG B 10 -3.046 -9.753 21.512 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.432 -10.233 19.336 1.00 0.00 H new ATOM 0 H2' DG B 10 -0.323 -8.052 19.390 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.667 -7.743 18.309 1.00 0.00 H new ATOM 0 H1' DG B 10 -3.011 -6.771 20.022 1.00 0.00 H new ATOM 0 H8 DG B 10 0.754 -6.725 20.934 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.243 -1.016 20.674 1.00 0.00 H new ATOM 0 H21 DG B 10 -5.052 -2.959 20.042 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.373 -1.341 20.243 1.00 0.00 H new ATOM 323 P DT B 11 -3.535 -9.846 17.554 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.566 -10.899 17.432 1.00 0.00 O ATOM 325 OP2 DT B 11 -2.214 -10.029 16.918 1.00 0.00 O ATOM 326 O5' DT B 11 -4.158 -8.456 17.011 1.00 0.00 O ATOM 327 C5' DT B 11 -5.521 -8.136 17.246 1.00 0.00 C ATOM 328 C4' DT B 11 -5.948 -6.810 16.602 1.00 0.00 C ATOM 329 O4' DT B 11 -5.263 -5.771 17.286 1.00 0.00 O ATOM 330 C3' DT B 11 -5.706 -6.726 15.099 1.00 0.00 C ATOM 331 O3' DT B 11 -6.927 -6.353 14.472 1.00 0.00 O ATOM 332 C2' DT B 11 -4.718 -5.584 15.011 1.00 0.00 C ATOM 333 C1' DT B 11 -4.773 -4.848 16.344 1.00 0.00 C ATOM 334 N1 DT B 11 -3.452 -4.323 16.776 1.00 0.00 N ATOM 335 C2 DT B 11 -3.363 -2.963 17.079 1.00 0.00 C ATOM 336 O2 DT B 11 -4.331 -2.208 17.125 1.00 0.00 O ATOM 337 N3 DT B 11 -2.102 -2.471 17.331 1.00 0.00 N ATOM 338 C4 DT B 11 -0.935 -3.206 17.348 1.00 0.00 C ATOM 339 O4 DT B 11 0.116 -2.613 17.575 1.00 0.00 O ATOM 340 C5 DT B 11 -1.105 -4.639 17.095 1.00 0.00 C ATOM 341 C7 DT B 11 0.091 -5.583 17.137 1.00 0.00 C ATOM 342 C6 DT B 11 -2.341 -5.140 16.820 1.00 0.00 C ATOM 0 H5' DT B 11 -5.696 -8.084 18.321 1.00 0.00 H new ATOM 0 H5'' DT B 11 -6.148 -8.939 16.860 1.00 0.00 H new ATOM 0 H4' DT B 11 -7.030 -6.719 16.701 1.00 0.00 H new ATOM 0 H3' DT B 11 -5.357 -7.648 14.633 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.712 -5.957 14.817 1.00 0.00 H new ATOM 0 H2'' DT B 11 -4.973 -4.915 14.189 1.00 0.00 H new ATOM 0 H1' DT B 11 -5.416 -3.973 16.249 1.00 0.00 H new ATOM 0 H3 DT B 11 -2.024 -1.472 17.523 1.00 0.00 H new ATOM 0 H71 DT B 11 0.990 -5.044 16.839 1.00 0.00 H new ATOM 0 H72 DT B 11 0.216 -5.966 18.150 1.00 0.00 H new ATOM 0 H73 DT B 11 -0.077 -6.414 16.452 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.454 -6.198 16.633 1.00 0.00 H new ATOM 355 P DT B 12 -7.150 -6.428 12.872 1.00 0.00 P ATOM 356 OP1 DT B 12 -8.560 -6.799 12.627 1.00 0.00 O ATOM 357 OP2 DT B 12 -6.055 -7.226 12.281 1.00 0.00 O ATOM 358 O5' DT B 12 -6.948 -4.897 12.424 1.00 0.00 O ATOM 359 C5' DT B 12 -7.813 -3.877 12.897 1.00 0.00 C ATOM 360 C4' DT B 12 -7.457 -2.508 12.302 1.00 0.00 C ATOM 361 O4' DT B 12 -6.109 -2.196 12.640 1.00 0.00 O ATOM 362 C3' DT B 12 -7.595 -2.455 10.771 1.00 0.00 C ATOM 363 O3' DT B 12 -8.150 -1.203 10.381 1.00 0.00 O ATOM 364 C2' DT B 12 -6.140 -2.578 10.347 1.00 0.00 C ATOM 365 C1' DT B 12 -5.460 -1.778 11.456 1.00 0.00 C ATOM 366 N1 DT B 12 -3.991 -1.994 11.527 1.00 0.00 N ATOM 367 C2 DT B 12 -3.172 -0.861 11.446 1.00 0.00 C ATOM 368 O2 DT B 12 -3.586 0.283 11.307 1.00 0.00 O ATOM 369 N3 DT B 12 -1.819 -1.050 11.617 1.00 0.00 N ATOM 370 C4 DT B 12 -1.224 -2.234 11.980 1.00 0.00 C ATOM 371 O4 DT B 12 -0.049 -2.221 12.349 1.00 0.00 O ATOM 372 C5 DT B 12 -2.109 -3.393 11.942 1.00 0.00 C ATOM 373 C7 DT B 12 -1.509 -4.758 12.171 1.00 0.00 C ATOM 374 C6 DT B 12 -3.448 -3.250 11.729 1.00 0.00 C ATOM 0 H5' DT B 12 -7.756 -3.827 13.984 1.00 0.00 H new ATOM 0 H5'' DT B 12 -8.843 -4.127 12.643 1.00 0.00 H new ATOM 0 H4' DT B 12 -8.161 -1.788 12.719 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.246 -3.212 10.333 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.803 -3.614 10.317 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.959 -2.155 9.359 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.553 -0.706 11.279 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.210 -0.247 11.462 1.00 0.00 H new ATOM 0 H71 DT B 12 -2.252 -5.409 12.632 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.196 -5.183 11.217 1.00 0.00 H new ATOM 0 H73 DT B 12 -0.645 -4.670 12.830 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.087 -4.121 11.718 1.00 0.00 H new ATOM 387 P DG B 13 -8.795 -0.956 8.914 1.00 0.00 P ATOM 388 OP1 DG B 13 -10.263 -0.862 9.065 1.00 0.00 O ATOM 389 OP2 DG B 13 -8.207 -1.929 7.970 1.00 0.00 O ATOM 390 O5' DG B 13 -8.229 0.498 8.508 1.00 0.00 O ATOM 391 C5' DG B 13 -8.701 1.679 9.137 1.00 0.00 C ATOM 392 C4' DG B 13 -7.755 2.874 8.925 1.00 0.00 C ATOM 393 O4' DG B 13 -6.471 2.509 9.420 1.00 0.00 O ATOM 394 C3' DG B 13 -7.590 3.360 7.475 1.00 0.00 C ATOM 395 O3' DG B 13 -7.430 4.775 7.465 1.00 0.00 O ATOM 396 C2' DG B 13 -6.346 2.621 7.063 1.00 0.00 C ATOM 397 C1' DG B 13 -5.542 2.518 8.350 1.00 0.00 C ATOM 398 N9 DG B 13 -4.700 1.305 8.309 1.00 0.00 N ATOM 399 C8 DG B 13 -5.031 0.008 7.998 1.00 0.00 C ATOM 400 N7 DG B 13 -4.019 -0.819 8.003 1.00 0.00 N ATOM 401 C5 DG B 13 -2.932 -0.004 8.327 1.00 0.00 C ATOM 402 C6 DG B 13 -1.548 -0.305 8.565 1.00 0.00 C ATOM 403 O6 DG B 13 -0.959 -1.385 8.575 1.00 0.00 O ATOM 404 N1 DG B 13 -0.804 0.809 8.897 1.00 0.00 N ATOM 405 C2 DG B 13 -1.305 2.074 8.978 1.00 0.00 C ATOM 406 N2 DG B 13 -0.485 3.055 9.257 1.00 0.00 N ATOM 407 N3 DG B 13 -2.575 2.392 8.763 1.00 0.00 N ATOM 408 C4 DG B 13 -3.343 1.303 8.469 1.00 0.00 C ATOM 0 H5' DG B 13 -8.818 1.497 10.205 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.688 1.926 8.746 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.214 3.708 9.457 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.430 3.172 6.807 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.581 1.637 6.658 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.798 3.160 6.291 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.862 3.359 8.482 1.00 0.00 H new ATOM 0 H8 DG B 13 -6.040 -0.301 7.769 1.00 0.00 H new ATOM 0 H1 DG B 13 0.188 0.677 9.095 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.836 4.010 9.323 1.00 0.00 H new ATOM 0 H22 DG B 13 0.505 2.864 9.408 1.00 0.00 H new ATOM 420 P DT B 14 -7.189 5.634 6.111 1.00 0.00 P ATOM 421 OP1 DT B 14 -7.975 6.882 6.214 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.366 4.743 4.944 1.00 0.00 O ATOM 423 O5' DT B 14 -5.622 6.015 6.212 1.00 0.00 O ATOM 424 C5' DT B 14 -5.158 6.887 7.233 1.00 0.00 C ATOM 425 C4' DT B 14 -3.660 7.217 7.135 1.00 0.00 C ATOM 426 O4' DT B 14 -2.894 6.029 7.283 1.00 0.00 O ATOM 427 C3' DT B 14 -3.242 7.897 5.824 1.00 0.00 C ATOM 428 O3' DT B 14 -2.289 8.911 6.114 1.00 0.00 O ATOM 429 C2' DT B 14 -2.648 6.740 5.040 1.00 0.00 C ATOM 430 C1' DT B 14 -2.052 5.873 6.153 1.00 0.00 C ATOM 431 N1 DT B 14 -1.964 4.429 5.807 1.00 0.00 N ATOM 432 C2 DT B 14 -0.748 3.773 6.024 1.00 0.00 C ATOM 433 O2 DT B 14 0.269 4.334 6.419 1.00 0.00 O ATOM 434 N3 DT B 14 -0.719 2.420 5.768 1.00 0.00 N ATOM 435 C4 DT B 14 -1.774 1.670 5.291 1.00 0.00 C ATOM 436 O4 DT B 14 -1.604 0.468 5.114 1.00 0.00 O ATOM 437 C5 DT B 14 -3.007 2.418 5.051 1.00 0.00 C ATOM 438 C7 DT B 14 -4.239 1.709 4.508 1.00 0.00 C ATOM 439 C6 DT B 14 -3.063 3.749 5.322 1.00 0.00 C ATOM 0 H5' DT B 14 -5.358 6.433 8.204 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.728 7.815 7.192 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.469 7.928 7.938 1.00 0.00 H new ATOM 0 H3' DT B 14 -4.041 8.395 5.275 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.405 6.204 4.467 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.889 7.074 4.332 1.00 0.00 H new ATOM 0 H1' DT B 14 -1.028 6.200 6.333 1.00 0.00 H new ATOM 0 H3 DT B 14 0.158 1.930 5.946 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.931 0.871 3.883 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.842 1.340 5.338 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.829 2.407 3.914 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.986 4.285 5.155 1.00 0.00 H new ATOM 452 P DA B 15 -1.647 9.855 4.968 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.295 11.153 5.583 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.525 9.811 3.779 1.00 0.00 O ATOM 455 O5' DA B 15 -0.281 9.073 4.617 1.00 0.00 O ATOM 456 C5' DA B 15 0.799 9.050 5.539 1.00 0.00 C ATOM 457 C4' DA B 15 2.014 8.280 5.006 1.00 0.00 C ATOM 458 O4' DA B 15 1.723 6.887 4.951 1.00 0.00 O ATOM 459 C3' DA B 15 2.459 8.730 3.608 1.00 0.00 C ATOM 460 O3' DA B 15 3.853 9.001 3.626 1.00 0.00 O ATOM 461 C2' DA B 15 2.114 7.514 2.763 1.00 0.00 C ATOM 462 C1' DA B 15 2.264 6.363 3.756 1.00 0.00 C ATOM 463 N9 DA B 15 1.524 5.140 3.359 1.00 0.00 N ATOM 464 C8 DA B 15 0.225 5.036 2.924 1.00 0.00 C ATOM 465 N7 DA B 15 -0.171 3.816 2.677 1.00 0.00 N ATOM 466 C5 DA B 15 0.966 3.053 2.970 1.00 0.00 C ATOM 467 C6 DA B 15 1.257 1.669 2.940 1.00 0.00 C ATOM 468 N6 DA B 15 0.368 0.740 2.633 1.00 0.00 N ATOM 469 N1 DA B 15 2.481 1.221 3.242 1.00 0.00 N ATOM 470 C2 DA B 15 3.400 2.114 3.595 1.00 0.00 C ATOM 471 N3 DA B 15 3.269 3.437 3.682 1.00 0.00 N ATOM 472 C4 DA B 15 2.009 3.849 3.364 1.00 0.00 C ATOM 0 H5' DA B 15 0.466 8.595 6.472 1.00 0.00 H new ATOM 0 H5'' DA B 15 1.095 10.073 5.771 1.00 0.00 H new ATOM 0 H4' DA B 15 2.828 8.491 5.700 1.00 0.00 H new ATOM 0 H3' DA B 15 1.990 9.641 3.236 1.00 0.00 H new ATOM 0 H2' DA B 15 1.102 7.573 2.362 1.00 0.00 H new ATOM 0 H2'' DA B 15 2.788 7.407 1.913 1.00 0.00 H new ATOM 0 H1' DA B 15 3.304 6.045 3.832 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.418 5.895 2.796 1.00 0.00 H new ATOM 0 H61 DA B 15 0.639 -0.243 2.629 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.589 1.007 2.401 1.00 0.00 H new ATOM 0 H2 DA B 15 4.374 1.718 3.842 1.00 0.00 H new ATOM 484 P DC B 16 4.623 9.635 2.354 1.00 0.00 P ATOM 485 OP1 DC B 16 5.737 10.478 2.837 1.00 0.00 O ATOM 486 OP2 DC B 16 3.628 10.183 1.408 1.00 0.00 O ATOM 487 O5' DC B 16 5.251 8.314 1.693 1.00 0.00 O ATOM 488 C5' DC B 16 6.366 7.672 2.283 1.00 0.00 C ATOM 489 C4' DC B 16 6.745 6.408 1.509 1.00 0.00 C ATOM 490 O4' DC B 16 5.856 5.349 1.804 1.00 0.00 O ATOM 491 C3' DC B 16 6.707 6.566 -0.013 1.00 0.00 C ATOM 492 O3' DC B 16 7.896 7.137 -0.523 1.00 0.00 O ATOM 493 C2' DC B 16 6.550 5.118 -0.458 1.00 0.00 C ATOM 494 C1' DC B 16 5.909 4.414 0.746 1.00 0.00 C ATOM 495 N1 DC B 16 4.532 3.947 0.444 1.00 0.00 N ATOM 496 C2 DC B 16 4.293 2.574 0.339 1.00 0.00 C ATOM 497 O2 DC B 16 5.186 1.748 0.521 1.00 0.00 O ATOM 498 N3 DC B 16 3.059 2.124 0.012 1.00 0.00 N ATOM 499 C4 DC B 16 2.084 2.993 -0.190 1.00 0.00 C ATOM 500 N4 DC B 16 0.906 2.480 -0.439 1.00 0.00 N ATOM 501 C5 DC B 16 2.276 4.406 -0.112 1.00 0.00 C ATOM 502 C6 DC B 16 3.521 4.846 0.210 1.00 0.00 C ATOM 0 H5' DC B 16 6.136 7.414 3.317 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.214 8.356 2.306 1.00 0.00 H new ATOM 0 H4' DC B 16 7.767 6.203 1.826 1.00 0.00 H new ATOM 0 H3' DC B 16 5.922 7.235 -0.365 1.00 0.00 H new ATOM 0 H2' DC B 16 5.920 5.041 -1.344 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.513 4.674 -0.711 1.00 0.00 H new ATOM 0 HO3' DC B 16 7.828 7.218 -1.497 1.00 0.00 H new ATOM 0 H1' DC B 16 6.504 3.538 1.006 1.00 0.00 H new ATOM 0 H41 DC B 16 0.108 3.093 -0.605 1.00 0.00 H new ATOM 0 H42 DC B 16 0.786 1.467 -0.467 1.00 0.00 H new ATOM 0 H5 DC B 16 1.466 5.096 -0.301 1.00 0.00 H new ATOM 0 H6 DC B 16 3.716 5.906 0.282 1.00 0.00 H new TER 515 DC B 16