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 25:sc= 0.0712 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.806 (180deg=-2.18!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 31:sc= 0.0681 USER MOD Single : B 11 DT C7 :methyl -30:sc= -0.0306 (180deg=-1.13) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.989 (180deg=-2.75!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.887 -8.500 -1.424 1.00 0.00 O ATOM 2 C5' DG A 1 2.209 -8.976 -1.586 1.00 0.00 C ATOM 3 C4' DG A 1 3.199 -8.078 -0.834 1.00 0.00 C ATOM 4 O4' DG A 1 2.958 -6.711 -1.174 1.00 0.00 O ATOM 5 C3' DG A 1 3.109 -8.212 0.693 1.00 0.00 C ATOM 6 O3' DG A 1 4.415 -8.416 1.201 1.00 0.00 O ATOM 7 C2' DG A 1 2.513 -6.881 1.091 1.00 0.00 C ATOM 8 C1' DG A 1 3.024 -5.941 0.016 1.00 0.00 C ATOM 9 N9 DG A 1 2.176 -4.731 -0.069 1.00 0.00 N ATOM 10 C8 DG A 1 0.819 -4.657 -0.244 1.00 0.00 C ATOM 11 N7 DG A 1 0.350 -3.445 -0.326 1.00 0.00 N ATOM 12 C5 DG A 1 1.478 -2.643 -0.124 1.00 0.00 C ATOM 13 C6 DG A 1 1.633 -1.215 -0.079 1.00 0.00 C ATOM 14 O6 DG A 1 0.803 -0.328 -0.273 1.00 0.00 O ATOM 15 N1 DG A 1 2.925 -0.821 0.214 1.00 0.00 N ATOM 16 C2 DG A 1 3.960 -1.683 0.423 1.00 0.00 C ATOM 17 N2 DG A 1 5.124 -1.161 0.728 1.00 0.00 N ATOM 18 N3 DG A 1 3.862 -3.010 0.353 1.00 0.00 N ATOM 19 C4 DG A 1 2.593 -3.431 0.076 1.00 0.00 C ATOM 0 H5' DG A 1 2.465 -9.002 -2.645 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.282 -9.998 -1.215 1.00 0.00 H new ATOM 0 H4' DG A 1 4.195 -8.402 -1.138 1.00 0.00 H new ATOM 0 H3' DG A 1 2.516 -9.045 1.070 1.00 0.00 H new ATOM 0 H2' DG A 1 1.424 -6.917 1.111 1.00 0.00 H new ATOM 0 H2'' DG A 1 2.840 -6.574 2.084 1.00 0.00 H new ATOM 0 HO5' DG A 1 0.906 -7.539 -1.232 1.00 0.00 H new ATOM 0 H1' DG A 1 4.032 -5.577 0.213 1.00 0.00 H new ATOM 0 H8 DG A 1 0.190 -5.532 -0.309 1.00 0.00 H new ATOM 0 H1 DG A 1 3.116 0.179 0.278 1.00 0.00 H new ATOM 0 H21 DG A 1 5.927 -1.767 0.893 1.00 0.00 H new ATOM 0 H22 DG A 1 5.226 -0.149 0.800 1.00 0.00 H new ATOM 32 P DT A 2 4.714 -8.658 2.769 1.00 0.00 P ATOM 33 OP1 DT A 2 5.722 -9.734 2.878 1.00 0.00 O ATOM 34 OP2 DT A 2 3.425 -8.763 3.484 1.00 0.00 O ATOM 35 O5' DT A 2 5.405 -7.262 3.176 1.00 0.00 O ATOM 36 C5' DT A 2 6.656 -6.889 2.618 1.00 0.00 C ATOM 37 C4' DT A 2 7.224 -5.602 3.228 1.00 0.00 C ATOM 38 O4' DT A 2 6.370 -4.504 2.935 1.00 0.00 O ATOM 39 C3' DT A 2 7.408 -5.677 4.748 1.00 0.00 C ATOM 40 O3' DT A 2 8.628 -5.036 5.085 1.00 0.00 O ATOM 41 C2' DT A 2 6.185 -4.932 5.259 1.00 0.00 C ATOM 42 C1' DT A 2 5.960 -3.900 4.150 1.00 0.00 C ATOM 43 N1 DT A 2 4.550 -3.442 4.010 1.00 0.00 N ATOM 44 C2 DT A 2 4.318 -2.065 3.913 1.00 0.00 C ATOM 45 O2 DT A 2 5.195 -1.215 4.023 1.00 0.00 O ATOM 46 N3 DT A 2 3.022 -1.675 3.659 1.00 0.00 N ATOM 47 C4 DT A 2 1.942 -2.515 3.495 1.00 0.00 C ATOM 48 O4 DT A 2 0.857 -2.025 3.199 1.00 0.00 O ATOM 49 C5 DT A 2 2.234 -3.935 3.676 1.00 0.00 C ATOM 50 C7 DT A 2 1.119 -4.966 3.587 1.00 0.00 C ATOM 51 C6 DT A 2 3.509 -4.345 3.911 1.00 0.00 C ATOM 0 H5' DT A 2 6.542 -6.755 1.542 1.00 0.00 H new ATOM 0 H5'' DT A 2 7.369 -7.700 2.765 1.00 0.00 H new ATOM 0 H4' DT A 2 8.208 -5.468 2.780 1.00 0.00 H new ATOM 0 H3' DT A 2 7.473 -6.679 5.171 1.00 0.00 H new ATOM 0 H2' DT A 2 5.327 -5.592 5.383 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.367 -4.461 6.225 1.00 0.00 H new ATOM 0 H1' DT A 2 6.534 -3.009 4.405 1.00 0.00 H new ATOM 0 H3 DT A 2 2.845 -0.673 3.586 1.00 0.00 H new ATOM 0 H71 DT A 2 0.181 -4.516 3.912 1.00 0.00 H new ATOM 0 H72 DT A 2 1.020 -5.307 2.556 1.00 0.00 H new ATOM 0 H73 DT A 2 1.356 -5.815 4.229 1.00 0.00 H new ATOM 0 H6 DT A 2 3.712 -5.400 4.023 1.00 0.00 H new ATOM 64 P DA A 3 9.231 -5.070 6.582 1.00 0.00 P ATOM 65 OP1 DA A 3 10.700 -4.937 6.483 1.00 0.00 O ATOM 66 OP2 DA A 3 8.635 -6.217 7.299 1.00 0.00 O ATOM 67 O5' DA A 3 8.638 -3.710 7.212 1.00 0.00 O ATOM 68 C5' DA A 3 9.150 -2.450 6.812 1.00 0.00 C ATOM 69 C4' DA A 3 8.520 -1.276 7.572 1.00 0.00 C ATOM 70 O4' DA A 3 7.210 -1.028 7.076 1.00 0.00 O ATOM 71 C3' DA A 3 8.432 -1.487 9.091 1.00 0.00 C ATOM 72 O3' DA A 3 8.998 -0.344 9.712 1.00 0.00 O ATOM 73 C2' DA A 3 6.925 -1.609 9.308 1.00 0.00 C ATOM 74 C1' DA A 3 6.350 -0.769 8.169 1.00 0.00 C ATOM 75 N9 DA A 3 4.964 -1.137 7.788 1.00 0.00 N ATOM 76 C8 DA A 3 4.416 -2.392 7.659 1.00 0.00 C ATOM 77 N7 DA A 3 3.186 -2.405 7.222 1.00 0.00 N ATOM 78 C5 DA A 3 2.890 -1.045 7.079 1.00 0.00 C ATOM 79 C6 DA A 3 1.753 -0.327 6.643 1.00 0.00 C ATOM 80 N6 DA A 3 0.648 -0.912 6.215 1.00 0.00 N ATOM 81 N1 DA A 3 1.751 1.013 6.628 1.00 0.00 N ATOM 82 C2 DA A 3 2.860 1.637 7.019 1.00 0.00 C ATOM 83 N3 DA A 3 4.008 1.095 7.422 1.00 0.00 N ATOM 84 C4 DA A 3 3.958 -0.266 7.432 1.00 0.00 C ATOM 0 H5' DA A 3 8.979 -2.317 5.744 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.229 -2.437 6.966 1.00 0.00 H new ATOM 0 H4' DA A 3 9.182 -0.426 7.403 1.00 0.00 H new ATOM 0 H3' DA A 3 8.961 -2.348 9.499 1.00 0.00 H new ATOM 0 H2' DA A 3 6.591 -2.645 9.255 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.625 -1.227 10.284 1.00 0.00 H new ATOM 0 H1' DA A 3 6.296 0.277 8.472 1.00 0.00 H new ATOM 0 H8 DA A 3 4.959 -3.294 7.900 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.144 -0.346 5.911 1.00 0.00 H new ATOM 0 H62 DA A 3 0.587 -1.930 6.188 1.00 0.00 H new ATOM 0 H2 DA A 3 2.824 2.716 7.008 1.00 0.00 H new ATOM 96 P DC A 4 9.056 -0.136 11.314 1.00 0.00 P ATOM 97 OP1 DC A 4 10.347 0.503 11.650 1.00 0.00 O ATOM 98 OP2 DC A 4 8.642 -1.387 11.985 1.00 0.00 O ATOM 99 O5' DC A 4 7.886 0.955 11.477 1.00 0.00 O ATOM 100 C5' DC A 4 8.016 2.215 10.839 1.00 0.00 C ATOM 101 C4' DC A 4 6.740 3.055 10.895 1.00 0.00 C ATOM 102 O4' DC A 4 5.675 2.311 10.323 1.00 0.00 O ATOM 103 C3' DC A 4 6.335 3.485 12.308 1.00 0.00 C ATOM 104 O3' DC A 4 6.129 4.888 12.278 1.00 0.00 O ATOM 105 C2' DC A 4 5.031 2.732 12.547 1.00 0.00 C ATOM 106 C1' DC A 4 4.527 2.491 11.123 1.00 0.00 C ATOM 107 N1 DC A 4 3.647 1.297 10.981 1.00 0.00 N ATOM 108 C2 DC A 4 2.405 1.450 10.360 1.00 0.00 C ATOM 109 O2 DC A 4 2.007 2.545 9.964 1.00 0.00 O ATOM 110 N3 DC A 4 1.594 0.378 10.182 1.00 0.00 N ATOM 111 C4 DC A 4 1.968 -0.804 10.638 1.00 0.00 C ATOM 112 N4 DC A 4 1.146 -1.797 10.413 1.00 0.00 N ATOM 113 C5 DC A 4 3.214 -1.016 11.296 1.00 0.00 C ATOM 114 C6 DC A 4 4.038 0.056 11.429 1.00 0.00 C ATOM 0 H5' DC A 4 8.295 2.060 9.797 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.829 2.770 11.308 1.00 0.00 H new ATOM 0 H4' DC A 4 6.947 3.969 10.338 1.00 0.00 H new ATOM 0 H3' DC A 4 7.065 3.272 13.089 1.00 0.00 H new ATOM 0 H2' DC A 4 5.194 1.798 13.084 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.325 3.319 13.134 1.00 0.00 H new ATOM 0 H1' DC A 4 3.916 3.344 10.826 1.00 0.00 H new ATOM 0 H41 DC A 4 1.378 -2.735 10.740 1.00 0.00 H new ATOM 0 H42 DC A 4 0.274 -1.633 9.911 1.00 0.00 H new ATOM 0 H5 DC A 4 3.492 -1.989 11.674 1.00 0.00 H new ATOM 0 H6 DC A 4 5.007 -0.067 11.890 1.00 0.00 H new HETATM 126 P NCX A 5 6.177 5.790 13.613 1.00 0.00 P HETATM 127 OP1 NCX A 5 6.546 7.168 13.222 1.00 0.00 O HETATM 128 OP2 NCX A 5 6.971 5.077 14.638 1.00 0.00 O HETATM 129 O5' NCX A 5 4.638 5.787 14.072 1.00 0.00 O HETATM 130 C5' NCX A 5 3.678 6.591 13.407 1.00 0.00 C HETATM 131 C4' NCX A 5 2.308 6.532 14.092 1.00 0.00 C HETATM 132 O4' NCX A 5 1.613 5.348 13.717 1.00 0.00 O HETATM 133 C1' NCX A 5 1.117 4.731 14.892 1.00 0.00 C HETATM 134 N9 NCX A 5 0.939 3.280 14.656 1.00 0.00 N HETATM 135 C8 NCX A 5 1.773 2.217 14.995 1.00 0.00 C HETATM 136 C7 NCX A 5 1.179 1.020 14.614 1.00 0.00 C HETATM 137 CO7 NCX A 5 1.840 -0.277 14.865 1.00 0.00 C HETATM 138 O7 NCX A 5 2.944 -0.419 15.334 1.00 0.00 O HETATM 139 NH7 NCX A 5 1.175 -1.394 14.589 1.00 0.00 N HETATM 140 C5 NCX A 5 -0.054 1.388 13.985 1.00 0.00 C HETATM 141 C4 NCX A 5 -0.138 2.751 14.044 1.00 0.00 C HETATM 142 C3 NCX A 5 -1.205 3.451 13.491 1.00 0.00 C HETATM 143 C2 NCX A 5 -2.187 2.728 12.824 1.00 0.00 C HETATM 144 C1 NCX A 5 -2.097 1.331 12.709 1.00 0.00 C HETATM 145 N1 NCX A 5 -3.087 0.599 11.879 1.00 0.00 N HETATM 146 O11 NCX A 5 -4.164 1.128 11.656 1.00 0.00 O HETATM 147 O12 NCX A 5 -2.746 -0.490 11.451 1.00 0.00 O HETATM 148 C6 NCX A 5 -1.039 0.645 13.335 1.00 0.00 C HETATM 149 C3' NCX A 5 2.398 6.563 15.624 1.00 0.00 C HETATM 150 C2' NCX A 5 2.123 5.106 15.976 1.00 0.00 C HETATM 151 O3' NCX A 5 1.395 7.451 16.087 1.00 0.00 O HETATM 0 HH72 NCX A 5 1.611 -2.301 14.754 1.00 0.00 H new HETATM 0 HH71 NCX A 5 0.229 -1.344 14.212 1.00 0.00 H new HETATM 0 H5'' NCX A 5 4.026 7.624 13.380 1.00 0.00 H new HETATM 0 H2'' NCX A 5 1.710 4.995 16.979 1.00 0.00 H new HETATM 0 H8 NCX A 5 2.743 2.310 15.484 1.00 0.00 H new HETATM 0 H6 NCX A 5 -0.991 -0.444 13.312 1.00 0.00 H new HETATM 0 H5' NCX A 5 3.581 6.260 12.373 1.00 0.00 H new HETATM 0 H4' NCX A 5 1.774 7.422 13.761 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.335 6.909 16.060 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.269 4.536 13.578 1.00 0.00 H new HETATM 0 H2' NCX A 5 3.024 4.494 15.933 1.00 0.00 H new HETATM 0 H2 NCX A 5 -3.037 3.251 12.385 1.00 0.00 H new HETATM 0 H1' NCX A 5 0.126 5.064 15.202 1.00 0.00 H new ATOM 165 P DA A 6 1.279 7.944 17.619 1.00 0.00 P ATOM 166 OP1 DA A 6 1.439 9.412 17.659 1.00 0.00 O ATOM 167 OP2 DA A 6 2.095 7.072 18.490 1.00 0.00 O ATOM 168 O5' DA A 6 -0.259 7.589 17.892 1.00 0.00 O ATOM 169 C5' DA A 6 -1.292 8.190 17.128 1.00 0.00 C ATOM 170 C4' DA A 6 -2.650 7.537 17.408 1.00 0.00 C ATOM 171 O4' DA A 6 -2.591 6.155 17.075 1.00 0.00 O ATOM 172 C3' DA A 6 -3.096 7.662 18.865 1.00 0.00 C ATOM 173 O3' DA A 6 -4.507 7.824 18.886 1.00 0.00 O ATOM 174 C2' DA A 6 -2.610 6.342 19.450 1.00 0.00 C ATOM 175 C1' DA A 6 -2.670 5.379 18.259 1.00 0.00 C ATOM 176 N9 DA A 6 -1.601 4.344 18.260 1.00 0.00 N ATOM 177 C8 DA A 6 -0.283 4.422 18.657 1.00 0.00 C ATOM 178 N7 DA A 6 0.373 3.293 18.573 1.00 0.00 N ATOM 179 C5 DA A 6 -0.576 2.403 18.058 1.00 0.00 C ATOM 180 C6 DA A 6 -0.571 1.030 17.711 1.00 0.00 C ATOM 181 N6 DA A 6 0.476 0.226 17.834 1.00 0.00 N ATOM 182 N1 DA A 6 -1.677 0.453 17.226 1.00 0.00 N ATOM 183 C2 DA A 6 -2.771 1.202 17.104 1.00 0.00 C ATOM 184 N3 DA A 6 -2.922 2.486 17.397 1.00 0.00 N ATOM 185 C4 DA A 6 -1.775 3.039 17.867 1.00 0.00 C ATOM 0 H5' DA A 6 -1.058 8.105 16.067 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.344 9.254 17.358 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.378 8.068 16.794 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.707 8.510 19.428 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.598 6.427 19.847 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.247 6.007 20.269 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.607 4.826 18.325 1.00 0.00 H new ATOM 0 H8 DA A 6 0.170 5.338 19.008 1.00 0.00 H new ATOM 0 H61 DA A 6 0.401 -0.754 17.562 1.00 0.00 H new ATOM 0 H62 DA A 6 1.356 0.588 18.201 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.646 0.700 16.718 1.00 0.00 H new ATOM 197 P DC A 7 -5.353 7.974 20.254 1.00 0.00 P ATOM 198 OP1 DC A 7 -6.555 8.787 19.973 1.00 0.00 O ATOM 199 OP2 DC A 7 -4.429 8.359 21.344 1.00 0.00 O ATOM 200 O5' DC A 7 -5.815 6.451 20.491 1.00 0.00 O ATOM 201 C5' DC A 7 -6.723 5.825 19.600 1.00 0.00 C ATOM 202 C4' DC A 7 -6.889 4.329 19.888 1.00 0.00 C ATOM 203 O4' DC A 7 -5.658 3.650 19.638 1.00 0.00 O ATOM 204 C3' DC A 7 -7.311 4.004 21.332 1.00 0.00 C ATOM 205 O3' DC A 7 -8.271 2.961 21.286 1.00 0.00 O ATOM 206 C2' DC A 7 -5.979 3.579 21.917 1.00 0.00 C ATOM 207 C1' DC A 7 -5.426 2.785 20.732 1.00 0.00 C ATOM 208 N1 DC A 7 -3.990 2.421 20.859 1.00 0.00 N ATOM 209 C2 DC A 7 -3.596 1.106 20.584 1.00 0.00 C ATOM 210 O2 DC A 7 -4.398 0.256 20.199 1.00 0.00 O ATOM 211 N3 DC A 7 -2.306 0.728 20.764 1.00 0.00 N ATOM 212 C4 DC A 7 -1.435 1.602 21.236 1.00 0.00 C ATOM 213 N4 DC A 7 -0.198 1.191 21.358 1.00 0.00 N ATOM 214 C5 DC A 7 -1.787 2.945 21.551 1.00 0.00 C ATOM 215 C6 DC A 7 -3.070 3.318 21.336 1.00 0.00 C ATOM 0 H5' DC A 7 -6.373 5.958 18.576 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.694 6.316 19.671 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.689 3.996 19.227 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.782 4.799 21.910 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.349 4.427 22.184 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.090 2.970 22.814 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.909 1.813 20.637 1.00 0.00 H new ATOM 0 H41 DC A 7 0.517 1.824 21.717 1.00 0.00 H new ATOM 0 H42 DC A 7 0.051 0.238 21.094 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.059 3.638 21.946 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.372 4.334 21.543 1.00 0.00 H new ATOM 227 P DG A 8 -9.046 2.412 22.589 1.00 0.00 P ATOM 228 OP1 DG A 8 -10.500 2.549 22.368 1.00 0.00 O ATOM 229 OP2 DG A 8 -8.421 2.961 23.811 1.00 0.00 O ATOM 230 O5' DG A 8 -8.664 0.855 22.498 1.00 0.00 O ATOM 231 C5' DG A 8 -9.091 0.074 21.395 1.00 0.00 C ATOM 232 C4' DG A 8 -8.819 -1.423 21.594 1.00 0.00 C ATOM 233 O4' DG A 8 -7.424 -1.681 21.531 1.00 0.00 O ATOM 234 C3' DG A 8 -9.320 -1.953 22.944 1.00 0.00 C ATOM 235 O3' DG A 8 -9.744 -3.303 22.838 1.00 0.00 O ATOM 236 C2' DG A 8 -8.079 -1.856 23.822 1.00 0.00 C ATOM 237 C1' DG A 8 -6.957 -2.083 22.808 1.00 0.00 C ATOM 238 N9 DG A 8 -5.703 -1.387 23.168 1.00 0.00 N ATOM 239 C8 DG A 8 -5.460 -0.053 23.378 1.00 0.00 C ATOM 240 N7 DG A 8 -4.216 0.220 23.673 1.00 0.00 N ATOM 241 C5 DG A 8 -3.587 -1.032 23.671 1.00 0.00 C ATOM 242 C6 DG A 8 -2.225 -1.429 23.914 1.00 0.00 C ATOM 243 O6 DG A 8 -1.232 -0.747 24.161 1.00 0.00 O ATOM 244 N1 DG A 8 -2.039 -2.799 23.852 1.00 0.00 N ATOM 245 C2 DG A 8 -3.025 -3.698 23.581 1.00 0.00 C ATOM 246 N2 DG A 8 -2.693 -4.964 23.515 1.00 0.00 N ATOM 247 N3 DG A 8 -4.295 -3.369 23.353 1.00 0.00 N ATOM 248 C4 DG A 8 -4.508 -2.020 23.401 1.00 0.00 C ATOM 0 H5' DG A 8 -8.582 0.416 20.494 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.158 0.228 21.236 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.360 -1.930 20.796 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.177 -1.401 23.329 1.00 0.00 H new ATOM 0 H2' DG A 8 -7.999 -0.884 24.310 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.076 -2.609 24.610 1.00 0.00 H new ATOM 0 HO3' DG A 8 -10.057 -3.617 23.712 1.00 0.00 H new ATOM 0 H1' DG A 8 -6.704 -3.143 22.801 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.227 0.703 23.306 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.100 -3.160 24.021 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.403 -5.668 23.314 1.00 0.00 H new ATOM 0 H22 DG A 8 -1.724 -5.246 23.664 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 5.428 -7.795 25.136 1.00 0.00 O ATOM 263 C5' DC B 9 4.528 -8.844 25.436 1.00 0.00 C ATOM 264 C4' DC B 9 3.237 -8.690 24.619 1.00 0.00 C ATOM 265 O4' DC B 9 2.736 -7.365 24.777 1.00 0.00 O ATOM 266 C3' DC B 9 3.414 -8.929 23.112 1.00 0.00 C ATOM 267 O3' DC B 9 2.319 -9.729 22.695 1.00 0.00 O ATOM 268 C2' DC B 9 3.354 -7.508 22.556 1.00 0.00 C ATOM 269 C1' DC B 9 2.311 -6.917 23.502 1.00 0.00 C ATOM 270 N1 DC B 9 2.152 -5.431 23.503 1.00 0.00 N ATOM 271 C2 DC B 9 0.878 -4.919 23.782 1.00 0.00 C ATOM 272 O2 DC B 9 -0.093 -5.655 23.951 1.00 0.00 O ATOM 273 N3 DC B 9 0.677 -3.580 23.875 1.00 0.00 N ATOM 274 C4 DC B 9 1.686 -2.758 23.647 1.00 0.00 C ATOM 275 N4 DC B 9 1.427 -1.477 23.750 1.00 0.00 N ATOM 276 C5 DC B 9 3.001 -3.218 23.338 1.00 0.00 C ATOM 277 C6 DC B 9 3.196 -4.561 23.273 1.00 0.00 C ATOM 0 H5' DC B 9 4.295 -8.839 26.501 1.00 0.00 H new ATOM 0 H5'' DC B 9 4.993 -9.805 25.216 1.00 0.00 H new ATOM 0 H4' DC B 9 2.555 -9.450 25.000 1.00 0.00 H new ATOM 0 H3' DC B 9 4.322 -9.441 22.795 1.00 0.00 H new ATOM 0 H2' DC B 9 4.313 -6.994 22.614 1.00 0.00 H new ATOM 0 H2'' DC B 9 3.039 -7.478 21.513 1.00 0.00 H new ATOM 0 HO5' DC B 9 4.924 -6.989 24.897 1.00 0.00 H new ATOM 0 H1' DC B 9 1.321 -7.246 23.185 1.00 0.00 H new ATOM 0 H41 DC B 9 2.165 -0.793 23.586 1.00 0.00 H new ATOM 0 H42 DC B 9 0.487 -1.165 23.994 1.00 0.00 H new ATOM 0 H5 DC B 9 3.810 -2.525 23.162 1.00 0.00 H new ATOM 0 H6 DC B 9 4.176 -4.950 23.039 1.00 0.00 H new ATOM 290 P DG B 10 2.158 -10.285 21.190 1.00 0.00 P ATOM 291 OP1 DG B 10 1.893 -11.737 21.271 1.00 0.00 O ATOM 292 OP2 DG B 10 3.281 -9.778 20.373 1.00 0.00 O ATOM 293 O5' DG B 10 0.804 -9.536 20.730 1.00 0.00 O ATOM 294 C5' DG B 10 -0.447 -9.901 21.294 1.00 0.00 C ATOM 295 C4' DG B 10 -1.657 -9.240 20.612 1.00 0.00 C ATOM 296 O4' DG B 10 -1.723 -7.879 21.007 1.00 0.00 O ATOM 297 C3' DG B 10 -1.646 -9.293 19.079 1.00 0.00 C ATOM 298 O3' DG B 10 -2.986 -9.440 18.622 1.00 0.00 O ATOM 299 C2' DG B 10 -1.066 -7.933 18.739 1.00 0.00 C ATOM 300 C1' DG B 10 -1.667 -7.074 19.846 1.00 0.00 C ATOM 301 N9 DG B 10 -0.864 -5.872 20.130 1.00 0.00 N ATOM 302 C8 DG B 10 0.494 -5.763 20.284 1.00 0.00 C ATOM 303 N7 DG B 10 0.910 -4.547 20.507 1.00 0.00 N ATOM 304 C5 DG B 10 -0.265 -3.787 20.483 1.00 0.00 C ATOM 305 C6 DG B 10 -0.498 -2.376 20.624 1.00 0.00 C ATOM 306 O6 DG B 10 0.303 -1.463 20.812 1.00 0.00 O ATOM 307 N1 DG B 10 -1.834 -2.033 20.519 1.00 0.00 N ATOM 308 C2 DG B 10 -2.843 -2.922 20.301 1.00 0.00 C ATOM 309 N2 DG B 10 -4.055 -2.446 20.165 1.00 0.00 N ATOM 310 N3 DG B 10 -2.664 -4.232 20.151 1.00 0.00 N ATOM 311 C4 DG B 10 -1.355 -4.601 20.257 1.00 0.00 C ATOM 0 H5' DG B 10 -0.449 -9.635 22.351 1.00 0.00 H new ATOM 0 H5'' DG B 10 -0.558 -10.984 21.237 1.00 0.00 H new ATOM 0 H4' DG B 10 -2.525 -9.815 20.934 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.085 -10.112 18.629 1.00 0.00 H new ATOM 0 H2' DG B 10 0.024 -7.932 18.762 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.364 -7.594 17.747 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.651 -6.727 19.531 1.00 0.00 H new ATOM 0 H8 DG B 10 1.161 -6.610 20.226 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.080 -1.047 20.611 1.00 0.00 H new ATOM 0 H21 DG B 10 -4.837 -3.080 20.001 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.218 -1.441 20.224 1.00 0.00 H new ATOM 323 P DT B 11 -3.364 -9.552 17.055 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.408 -10.591 16.916 1.00 0.00 O ATOM 325 OP2 DT B 11 -2.113 -9.649 16.273 1.00 0.00 O ATOM 326 O5' DT B 11 -4.032 -8.110 16.753 1.00 0.00 O ATOM 327 C5' DT B 11 -5.356 -7.819 17.181 1.00 0.00 C ATOM 328 C4' DT B 11 -5.906 -6.504 16.609 1.00 0.00 C ATOM 329 O4' DT B 11 -5.246 -5.436 17.281 1.00 0.00 O ATOM 330 C3' DT B 11 -5.735 -6.392 15.096 1.00 0.00 C ATOM 331 O3' DT B 11 -6.972 -6.091 14.460 1.00 0.00 O ATOM 332 C2' DT B 11 -4.818 -5.193 14.969 1.00 0.00 C ATOM 333 C1' DT B 11 -4.698 -4.540 16.340 1.00 0.00 C ATOM 334 N1 DT B 11 -3.314 -4.128 16.698 1.00 0.00 N ATOM 335 C2 DT B 11 -3.129 -2.790 17.058 1.00 0.00 C ATOM 336 O2 DT B 11 -4.030 -1.961 17.118 1.00 0.00 O ATOM 337 N3 DT B 11 -1.841 -2.374 17.272 1.00 0.00 N ATOM 338 C4 DT B 11 -0.710 -3.138 17.121 1.00 0.00 C ATOM 339 O4 DT B 11 0.376 -2.598 17.321 1.00 0.00 O ATOM 340 C5 DT B 11 -0.960 -4.524 16.721 1.00 0.00 C ATOM 341 C7 DT B 11 0.210 -5.460 16.474 1.00 0.00 C ATOM 342 C6 DT B 11 -2.234 -4.970 16.529 1.00 0.00 C ATOM 0 H5' DT B 11 -5.375 -7.769 18.270 1.00 0.00 H new ATOM 0 H5'' DT B 11 -6.013 -8.638 16.887 1.00 0.00 H new ATOM 0 H4' DT B 11 -6.982 -6.466 16.778 1.00 0.00 H new ATOM 0 H3' DT B 11 -5.364 -7.310 14.641 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.837 -5.501 14.607 1.00 0.00 H new ATOM 0 H2'' DT B 11 -5.217 -4.484 14.244 1.00 0.00 H new ATOM 0 H1' DT B 11 -5.251 -3.600 16.331 1.00 0.00 H new ATOM 0 H3 DT B 11 -1.710 -1.408 17.571 1.00 0.00 H new ATOM 0 H71 DT B 11 1.066 -4.886 16.118 1.00 0.00 H new ATOM 0 H72 DT B 11 0.473 -5.966 17.403 1.00 0.00 H new ATOM 0 H73 DT B 11 -0.068 -6.200 15.724 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.400 -5.997 16.240 1.00 0.00 H new ATOM 355 P DT B 12 -7.159 -6.230 12.853 1.00 0.00 P ATOM 356 OP1 DT B 12 -8.416 -6.965 12.599 1.00 0.00 O ATOM 357 OP2 DT B 12 -5.886 -6.709 12.270 1.00 0.00 O ATOM 358 O5' DT B 12 -7.355 -4.712 12.358 1.00 0.00 O ATOM 359 C5' DT B 12 -8.572 -4.014 12.568 1.00 0.00 C ATOM 360 C4' DT B 12 -8.486 -2.543 12.127 1.00 0.00 C ATOM 361 O4' DT B 12 -7.462 -1.914 12.870 1.00 0.00 O ATOM 362 C3' DT B 12 -8.187 -2.323 10.641 1.00 0.00 C ATOM 363 O3' DT B 12 -8.813 -1.130 10.186 1.00 0.00 O ATOM 364 C2' DT B 12 -6.669 -2.220 10.645 1.00 0.00 C ATOM 365 C1' DT B 12 -6.336 -1.665 12.043 1.00 0.00 C ATOM 366 N1 DT B 12 -5.110 -2.197 12.730 1.00 0.00 N ATOM 367 C2 DT B 12 -4.602 -1.389 13.758 1.00 0.00 C ATOM 368 O2 DT B 12 -5.190 -0.431 14.247 1.00 0.00 O ATOM 369 N3 DT B 12 -3.337 -1.671 14.213 1.00 0.00 N ATOM 370 C4 DT B 12 -2.468 -2.590 13.669 1.00 0.00 C ATOM 371 O4 DT B 12 -1.321 -2.639 14.105 1.00 0.00 O ATOM 372 C5 DT B 12 -3.044 -3.420 12.618 1.00 0.00 C ATOM 373 C7 DT B 12 -2.181 -4.455 11.907 1.00 0.00 C ATOM 374 C6 DT B 12 -4.343 -3.251 12.242 1.00 0.00 C ATOM 0 H5' DT B 12 -8.836 -4.059 13.625 1.00 0.00 H new ATOM 0 H5'' DT B 12 -9.372 -4.510 12.018 1.00 0.00 H new ATOM 0 H4' DT B 12 -9.475 -2.122 12.307 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.557 -3.102 9.974 1.00 0.00 H new ATOM 0 H2' DT B 12 -6.203 -3.191 10.480 1.00 0.00 H new ATOM 0 H2'' DT B 12 -6.312 -1.557 9.857 1.00 0.00 H new ATOM 0 H1' DT B 12 -6.106 -0.611 11.886 1.00 0.00 H new ATOM 0 H3 DT B 12 -3.012 -1.152 15.029 1.00 0.00 H new ATOM 0 H71 DT B 12 -2.804 -5.290 11.586 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.709 -3.999 11.037 1.00 0.00 H new ATOM 0 H73 DT B 12 -1.412 -4.817 12.589 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.787 -3.951 11.550 1.00 0.00 H new ATOM 387 P DG B 13 -9.058 -0.830 8.612 1.00 0.00 P ATOM 388 OP1 DG B 13 -10.507 -0.619 8.406 1.00 0.00 O ATOM 389 OP2 DG B 13 -8.340 -1.853 7.822 1.00 0.00 O ATOM 390 O5' DG B 13 -8.304 0.571 8.363 1.00 0.00 O ATOM 391 C5' DG B 13 -8.806 1.785 8.900 1.00 0.00 C ATOM 392 C4' DG B 13 -7.847 2.968 8.689 1.00 0.00 C ATOM 393 O4' DG B 13 -6.583 2.636 9.255 1.00 0.00 O ATOM 394 C3' DG B 13 -7.612 3.390 7.228 1.00 0.00 C ATOM 395 O3' DG B 13 -7.431 4.801 7.178 1.00 0.00 O ATOM 396 C2' DG B 13 -6.362 2.614 6.900 1.00 0.00 C ATOM 397 C1' DG B 13 -5.613 2.582 8.223 1.00 0.00 C ATOM 398 N9 DG B 13 -4.764 1.373 8.301 1.00 0.00 N ATOM 399 C8 DG B 13 -5.076 0.062 8.031 1.00 0.00 C ATOM 400 N7 DG B 13 -4.063 -0.757 8.109 1.00 0.00 N ATOM 401 C5 DG B 13 -2.989 0.076 8.439 1.00 0.00 C ATOM 402 C6 DG B 13 -1.604 -0.205 8.697 1.00 0.00 C ATOM 403 O6 DG B 13 -1.011 -1.282 8.744 1.00 0.00 O ATOM 404 N1 DG B 13 -0.863 0.935 8.957 1.00 0.00 N ATOM 405 C2 DG B 13 -1.384 2.188 9.041 1.00 0.00 C ATOM 406 N2 DG B 13 -0.571 3.168 9.349 1.00 0.00 N ATOM 407 N3 DG B 13 -2.661 2.485 8.825 1.00 0.00 N ATOM 408 C4 DG B 13 -3.414 1.384 8.535 1.00 0.00 C ATOM 0 H5' DG B 13 -8.990 1.657 9.967 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.766 2.013 8.436 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.332 3.816 9.172 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.421 3.186 6.527 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.594 1.610 6.544 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.779 3.102 6.119 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.937 3.431 8.323 1.00 0.00 H new ATOM 0 H8 DG B 13 -6.074 -0.263 7.776 1.00 0.00 H new ATOM 0 H1 DG B 13 0.142 0.828 9.095 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.926 4.122 9.421 1.00 0.00 H new ATOM 0 H22 DG B 13 0.417 2.977 9.517 1.00 0.00 H new ATOM 420 P DT B 14 -7.113 5.615 5.814 1.00 0.00 P ATOM 421 OP1 DT B 14 -7.907 6.862 5.828 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.214 4.686 4.667 1.00 0.00 O ATOM 423 O5' DT B 14 -5.557 6.006 5.999 1.00 0.00 O ATOM 424 C5' DT B 14 -5.156 6.902 7.027 1.00 0.00 C ATOM 425 C4' DT B 14 -3.657 7.242 7.001 1.00 0.00 C ATOM 426 O4' DT B 14 -2.891 6.063 7.208 1.00 0.00 O ATOM 427 C3' DT B 14 -3.178 7.901 5.701 1.00 0.00 C ATOM 428 O3' DT B 14 -2.224 8.908 6.017 1.00 0.00 O ATOM 429 C2' DT B 14 -2.566 6.726 4.960 1.00 0.00 C ATOM 430 C1' DT B 14 -2.013 5.880 6.109 1.00 0.00 C ATOM 431 N1 DT B 14 -1.915 4.428 5.799 1.00 0.00 N ATOM 432 C2 DT B 14 -0.707 3.777 6.075 1.00 0.00 C ATOM 433 O2 DT B 14 0.297 4.348 6.489 1.00 0.00 O ATOM 434 N3 DT B 14 -0.672 2.417 5.859 1.00 0.00 N ATOM 435 C4 DT B 14 -1.713 1.656 5.370 1.00 0.00 C ATOM 436 O4 DT B 14 -1.546 0.448 5.240 1.00 0.00 O ATOM 437 C5 DT B 14 -2.931 2.399 5.057 1.00 0.00 C ATOM 438 C7 DT B 14 -4.139 1.676 4.477 1.00 0.00 C ATOM 439 C6 DT B 14 -2.996 3.737 5.286 1.00 0.00 C ATOM 0 H5' DT B 14 -5.404 6.465 7.994 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.730 7.824 6.937 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.512 7.968 7.801 1.00 0.00 H new ATOM 0 H3' DT B 14 -3.947 8.402 5.114 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.307 6.183 4.373 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.782 7.041 4.271 1.00 0.00 H new ATOM 0 H1' DT B 14 -0.994 6.208 6.315 1.00 0.00 H new ATOM 0 H3 DT B 14 0.198 1.932 6.079 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.804 0.823 3.888 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.779 1.328 5.288 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.700 2.359 3.840 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.909 4.270 5.063 1.00 0.00 H new ATOM 452 P DA B 15 -1.531 9.834 4.888 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.184 11.132 5.505 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.369 9.794 3.669 1.00 0.00 O ATOM 455 O5' DA B 15 -0.163 9.035 4.585 1.00 0.00 O ATOM 456 C5' DA B 15 0.891 9.014 5.535 1.00 0.00 C ATOM 457 C4' DA B 15 2.109 8.216 5.050 1.00 0.00 C ATOM 458 O4' DA B 15 1.793 6.829 4.997 1.00 0.00 O ATOM 459 C3' DA B 15 2.610 8.645 3.664 1.00 0.00 C ATOM 460 O3' DA B 15 4.008 8.888 3.726 1.00 0.00 O ATOM 461 C2' DA B 15 2.269 7.428 2.818 1.00 0.00 C ATOM 462 C1' DA B 15 2.365 6.283 3.827 1.00 0.00 C ATOM 463 N9 DA B 15 1.616 5.070 3.418 1.00 0.00 N ATOM 464 C8 DA B 15 0.330 4.982 2.939 1.00 0.00 C ATOM 465 N7 DA B 15 -0.084 3.766 2.710 1.00 0.00 N ATOM 466 C5 DA B 15 1.025 2.986 3.057 1.00 0.00 C ATOM 467 C6 DA B 15 1.287 1.596 3.072 1.00 0.00 C ATOM 468 N6 DA B 15 0.388 0.676 2.765 1.00 0.00 N ATOM 469 N1 DA B 15 2.491 1.132 3.422 1.00 0.00 N ATOM 470 C2 DA B 15 3.420 2.014 3.778 1.00 0.00 C ATOM 471 N3 DA B 15 3.314 3.339 3.831 1.00 0.00 N ATOM 472 C4 DA B 15 2.073 3.769 3.465 1.00 0.00 C ATOM 0 H5' DA B 15 0.526 8.582 6.467 1.00 0.00 H new ATOM 0 H5'' DA B 15 1.196 10.037 5.756 1.00 0.00 H new ATOM 0 H4' DA B 15 2.903 8.417 5.769 1.00 0.00 H new ATOM 0 H3' DA B 15 2.172 9.562 3.270 1.00 0.00 H new ATOM 0 H2' DA B 15 1.272 7.503 2.383 1.00 0.00 H new ATOM 0 H2'' DA B 15 2.968 7.300 1.992 1.00 0.00 H new ATOM 0 H1' DA B 15 3.396 5.947 3.940 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.288 5.850 2.766 1.00 0.00 H new ATOM 0 H61 DA B 15 0.639 -0.312 2.795 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.556 0.955 2.498 1.00 0.00 H new ATOM 0 H2 DA B 15 4.379 1.604 4.059 1.00 0.00 H new ATOM 484 P DC B 16 4.835 9.484 2.473 1.00 0.00 P ATOM 485 OP1 DC B 16 5.959 10.299 2.983 1.00 0.00 O ATOM 486 OP2 DC B 16 3.887 10.053 1.491 1.00 0.00 O ATOM 487 O5' DC B 16 5.446 8.139 1.842 1.00 0.00 O ATOM 488 C5' DC B 16 6.526 7.471 2.469 1.00 0.00 C ATOM 489 C4' DC B 16 6.895 6.192 1.717 1.00 0.00 C ATOM 490 O4' DC B 16 5.968 5.159 1.990 1.00 0.00 O ATOM 491 C3' DC B 16 6.910 6.338 0.193 1.00 0.00 C ATOM 492 O3' DC B 16 8.134 6.868 -0.283 1.00 0.00 O ATOM 493 C2' DC B 16 6.724 4.894 -0.250 1.00 0.00 C ATOM 494 C1' DC B 16 6.024 4.216 0.937 1.00 0.00 C ATOM 495 N1 DC B 16 4.642 3.791 0.600 1.00 0.00 N ATOM 496 C2 DC B 16 4.360 2.424 0.506 1.00 0.00 C ATOM 497 O2 DC B 16 5.221 1.571 0.714 1.00 0.00 O ATOM 498 N3 DC B 16 3.117 2.012 0.161 1.00 0.00 N ATOM 499 C4 DC B 16 2.178 2.910 -0.077 1.00 0.00 C ATOM 500 N4 DC B 16 0.987 2.434 -0.336 1.00 0.00 N ATOM 501 C5 DC B 16 2.417 4.317 -0.020 1.00 0.00 C ATOM 502 C6 DC B 16 3.669 4.718 0.327 1.00 0.00 C ATOM 0 H5' DC B 16 6.259 7.227 3.497 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.391 8.133 2.513 1.00 0.00 H new ATOM 0 H4' DC B 16 7.901 5.963 2.069 1.00 0.00 H new ATOM 0 H3' DC B 16 6.156 7.028 -0.186 1.00 0.00 H new ATOM 0 H2' DC B 16 6.121 4.831 -1.156 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.680 4.420 -0.471 1.00 0.00 H new ATOM 0 HO3' DC B 16 8.100 6.943 -1.260 1.00 0.00 H new ATOM 0 H1' DC B 16 6.583 3.323 1.215 1.00 0.00 H new ATOM 0 H41 DC B 16 0.214 3.071 -0.529 1.00 0.00 H new ATOM 0 H42 DC B 16 0.832 1.426 -0.345 1.00 0.00 H new ATOM 0 H5 DC B 16 1.638 5.031 -0.243 1.00 0.00 H new ATOM 0 H6 DC B 16 3.898 5.772 0.388 1.00 0.00 H new TER 515 DC B 16