USER MOD reduce.3.24.130724 H: found=0, std=0, add=146, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 148 hydrogens (36 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 NoAdj-H: A 7 AQCHN2A : A 7 AQC N2' : A 6 2AU C2' :(H bumps) USER MOD NoAdj-H: B 7 AQCHN2A : B 7 AQC N2' : B 6 2AU C2' :(H bumps) USER MOD Single : A 1 DA O5' : rot -19:sc= 0.222 USER MOD Single : A 6 2AU O3' : rot 39:sc= 0 USER MOD Single : B 1 DA O5' : rot -21:sc= 0.242 USER MOD Single : B 6 2AU O3' : rot 39:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 0.699 13.574 -5.995 1.00 0.00 O ATOM 2 C5' DA A 1 -0.100 12.490 -5.512 1.00 0.00 C ATOM 3 C4' DA A 1 -0.195 11.387 -6.539 1.00 0.00 C ATOM 4 O4' DA A 1 1.084 11.249 -7.202 1.00 0.00 O ATOM 5 C3' DA A 1 -0.516 10.006 -5.972 1.00 0.00 C ATOM 6 O3' DA A 1 -1.928 9.774 -6.029 1.00 0.00 O ATOM 7 C2' DA A 1 0.238 9.074 -6.902 1.00 0.00 C ATOM 8 C1' DA A 1 1.479 9.885 -7.223 1.00 0.00 C ATOM 9 N9 DA A 1 2.581 9.724 -6.272 1.00 0.00 N ATOM 10 C8 DA A 1 2.791 10.440 -5.119 1.00 0.00 C ATOM 11 N7 DA A 1 3.865 10.082 -4.461 1.00 0.00 N ATOM 12 C5 DA A 1 4.401 9.059 -5.229 1.00 0.00 C ATOM 13 C6 DA A 1 5.545 8.258 -5.069 1.00 0.00 C ATOM 14 N6 DA A 1 6.388 8.367 -4.042 1.00 0.00 N ATOM 15 N1 DA A 1 5.795 7.327 -6.012 1.00 0.00 N ATOM 16 C2 DA A 1 4.949 7.214 -7.041 1.00 0.00 C ATOM 17 N3 DA A 1 3.842 7.908 -7.304 1.00 0.00 N ATOM 18 C4 DA A 1 3.620 8.826 -6.348 1.00 0.00 C ATOM 0 H5' DA A 1 -1.099 12.851 -5.268 1.00 0.00 H new ATOM 0 H5'' DA A 1 0.331 12.098 -4.591 1.00 0.00 H new ATOM 0 H4' DA A 1 -1.011 11.686 -7.197 1.00 0.00 H new ATOM 0 H3' DA A 1 -0.232 9.875 -4.928 1.00 0.00 H new ATOM 0 H2' DA A 1 0.483 8.127 -6.420 1.00 0.00 H new ATOM 0 H2'' DA A 1 -0.337 8.837 -7.797 1.00 0.00 H new ATOM 0 HO5' DA A 1 1.254 13.264 -6.741 1.00 0.00 H new ATOM 0 H1' DA A 1 1.857 9.538 -8.185 1.00 0.00 H new ATOM 0 H8 DA A 1 2.130 11.227 -4.785 1.00 0.00 H new ATOM 0 H61 DA A 1 7.202 7.755 -3.983 1.00 0.00 H new ATOM 0 H62 DA A 1 6.219 9.062 -3.315 1.00 0.00 H new ATOM 0 H2 DA A 1 5.199 6.451 -7.763 1.00 0.00 H new ATOM 31 P DC A 2 -2.506 8.291 -5.810 1.00 0.00 P ATOM 32 OP1 DC A 2 -3.960 8.325 -6.112 1.00 0.00 O ATOM 33 OP2 DC A 2 -2.045 7.821 -4.479 1.00 0.00 O ATOM 34 O5' DC A 2 -1.771 7.425 -6.929 1.00 0.00 O ATOM 35 C5' DC A 2 -2.506 6.528 -7.757 1.00 0.00 C ATOM 36 C4' DC A 2 -2.440 5.126 -7.197 1.00 0.00 C ATOM 37 O4' DC A 2 -1.296 4.985 -6.336 1.00 0.00 O ATOM 38 C3' DC A 2 -3.637 4.736 -6.334 1.00 0.00 C ATOM 39 O3' DC A 2 -4.577 3.985 -7.109 1.00 0.00 O ATOM 40 C2' DC A 2 -3.034 3.882 -5.221 1.00 0.00 C ATOM 41 C1' DC A 2 -1.534 3.880 -5.496 1.00 0.00 C ATOM 42 N1 DC A 2 -0.664 4.022 -4.314 1.00 0.00 N ATOM 43 C2 DC A 2 0.421 3.151 -4.168 1.00 0.00 C ATOM 44 O2 DC A 2 0.605 2.269 -5.021 1.00 0.00 O ATOM 45 N3 DC A 2 1.241 3.289 -3.104 1.00 0.00 N ATOM 46 C4 DC A 2 1.006 4.242 -2.200 1.00 0.00 C ATOM 47 N4 DC A 2 1.848 4.348 -1.172 1.00 0.00 N ATOM 48 C5 DC A 2 -0.100 5.133 -2.313 1.00 0.00 C ATOM 49 C6 DC A 2 -0.898 4.993 -3.379 1.00 0.00 C ATOM 0 H5' DC A 2 -2.102 6.542 -8.769 1.00 0.00 H new ATOM 0 H5'' DC A 2 -3.545 6.852 -7.824 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.404 4.487 -8.079 1.00 0.00 H new ATOM 0 H3' DC A 2 -4.179 5.596 -5.941 1.00 0.00 H new ATOM 0 H2' DC A 2 -3.255 4.300 -4.239 1.00 0.00 H new ATOM 0 H2'' DC A 2 -3.440 2.870 -5.236 1.00 0.00 H new ATOM 0 H1' DC A 2 -1.286 2.907 -5.921 1.00 0.00 H new ATOM 0 H41 DC A 2 1.699 5.065 -0.462 1.00 0.00 H new ATOM 0 H42 DC A 2 2.642 3.712 -1.095 1.00 0.00 H new ATOM 0 H5 DC A 2 -0.287 5.892 -1.568 1.00 0.00 H new ATOM 0 H6 DC A 2 -1.740 5.658 -3.503 1.00 0.00 H new ATOM 61 P DG A 3 -5.933 3.450 -6.428 1.00 0.00 P ATOM 62 OP1 DG A 3 -7.017 3.591 -7.431 1.00 0.00 O ATOM 63 OP2 DG A 3 -6.084 4.088 -5.097 1.00 0.00 O ATOM 64 O5' DG A 3 -5.660 1.896 -6.210 1.00 0.00 O ATOM 65 C5' DG A 3 -4.853 1.158 -7.130 1.00 0.00 C ATOM 66 C4' DG A 3 -4.532 -0.208 -6.570 1.00 0.00 C ATOM 67 O4' DG A 3 -3.357 -0.097 -5.730 1.00 0.00 O ATOM 68 C3' DG A 3 -5.628 -0.828 -5.701 1.00 0.00 C ATOM 69 O3' DG A 3 -5.757 -2.225 -5.995 1.00 0.00 O ATOM 70 C2' DG A 3 -5.136 -0.611 -4.280 1.00 0.00 C ATOM 71 C1' DG A 3 -3.627 -0.569 -4.422 1.00 0.00 C ATOM 72 N9 DG A 3 -2.948 0.315 -3.481 1.00 0.00 N ATOM 73 C8 DG A 3 -3.404 1.511 -2.983 1.00 0.00 C ATOM 74 N7 DG A 3 -2.567 2.078 -2.158 1.00 0.00 N ATOM 75 C5 DG A 3 -1.492 1.200 -2.104 1.00 0.00 C ATOM 76 C6 DG A 3 -0.279 1.273 -1.372 1.00 0.00 C ATOM 77 O6 DG A 3 0.102 2.156 -0.596 1.00 0.00 O ATOM 78 N1 DG A 3 0.531 0.168 -1.613 1.00 0.00 N ATOM 79 C2 DG A 3 0.214 -0.874 -2.447 1.00 0.00 C ATOM 80 N2 DG A 3 1.123 -1.848 -2.545 1.00 0.00 N ATOM 81 N3 DG A 3 -0.911 -0.956 -3.133 1.00 0.00 N ATOM 82 C4 DG A 3 -1.713 0.108 -2.916 1.00 0.00 C ATOM 0 H5' DG A 3 -3.930 1.702 -7.331 1.00 0.00 H new ATOM 0 H5'' DG A 3 -5.376 1.055 -8.081 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.400 -0.852 -7.440 1.00 0.00 H new ATOM 0 H3' DG A 3 -6.611 -0.387 -5.869 1.00 0.00 H new ATOM 0 H2' DG A 3 -5.524 0.317 -3.860 1.00 0.00 H new ATOM 0 H2'' DG A 3 -5.453 -1.418 -3.619 1.00 0.00 H new ATOM 0 H1' DG A 3 -3.254 -1.573 -4.219 1.00 0.00 H new ATOM 0 H8 DG A 3 -4.359 1.939 -3.248 1.00 0.00 H new ATOM 0 H1 DG A 3 1.430 0.130 -1.133 1.00 0.00 H new ATOM 0 H21 DG A 3 0.947 -2.651 -3.149 1.00 0.00 H new ATOM 0 H22 DG A 3 1.993 -1.789 -2.016 1.00 0.00 H new ATOM 94 P DC A 4 -6.711 -3.153 -5.089 1.00 0.00 P ATOM 95 OP1 DC A 4 -7.342 -4.147 -5.989 1.00 0.00 O ATOM 96 OP2 DC A 4 -7.569 -2.286 -4.244 1.00 0.00 O ATOM 97 O5' DC A 4 -5.694 -3.926 -4.138 1.00 0.00 O ATOM 98 C5' DC A 4 -4.346 -4.161 -4.547 1.00 0.00 C ATOM 99 C4' DC A 4 -3.815 -5.427 -3.916 1.00 0.00 C ATOM 100 O4' DC A 4 -2.771 -5.074 -2.985 1.00 0.00 O ATOM 101 C3' DC A 4 -4.826 -6.240 -3.111 1.00 0.00 C ATOM 102 O3' DC A 4 -4.542 -7.642 -3.214 1.00 0.00 O ATOM 103 C2' DC A 4 -4.626 -5.763 -1.680 1.00 0.00 C ATOM 104 C1' DC A 4 -3.298 -5.012 -1.672 1.00 0.00 C ATOM 105 N1 DC A 4 -3.397 -3.594 -1.289 1.00 0.00 N ATOM 106 C2 DC A 4 -2.353 -3.019 -0.556 1.00 0.00 C ATOM 107 O2 DC A 4 -1.376 -3.719 -0.254 1.00 0.00 O ATOM 108 N3 DC A 4 -2.436 -1.719 -0.196 1.00 0.00 N ATOM 109 C4 DC A 4 -3.504 -0.999 -0.542 1.00 0.00 C ATOM 110 N4 DC A 4 -3.539 0.282 -0.177 1.00 0.00 N ATOM 111 C5 DC A 4 -4.582 -1.558 -1.286 1.00 0.00 C ATOM 112 C6 DC A 4 -4.487 -2.846 -1.636 1.00 0.00 C ATOM 0 H5' DC A 4 -3.720 -3.315 -4.262 1.00 0.00 H new ATOM 0 H5'' DC A 4 -4.298 -4.241 -5.633 1.00 0.00 H new ATOM 0 H4' DC A 4 -3.492 -6.040 -4.757 1.00 0.00 H new ATOM 0 H3' DC A 4 -5.849 -6.104 -3.463 1.00 0.00 H new ATOM 0 H2' DC A 4 -5.444 -5.114 -1.367 1.00 0.00 H new ATOM 0 H2'' DC A 4 -4.603 -6.604 -0.987 1.00 0.00 H new ATOM 0 H1' DC A 4 -2.667 -5.489 -0.922 1.00 0.00 H new ATOM 0 H41 DC A 4 -4.341 0.861 -0.425 1.00 0.00 H new ATOM 0 H42 DC A 4 -2.764 0.683 0.351 1.00 0.00 H new ATOM 0 H5 DC A 4 -5.443 -0.965 -1.557 1.00 0.00 H new ATOM 0 H6 DC A 4 -5.285 -3.302 -2.202 1.00 0.00 H new ATOM 124 P DG A 5 -5.446 -8.703 -2.408 1.00 0.00 P ATOM 125 OP1 DG A 5 -5.284 -10.019 -3.073 1.00 0.00 O ATOM 126 OP2 DG A 5 -6.806 -8.135 -2.240 1.00 0.00 O ATOM 127 O5' DG A 5 -4.760 -8.783 -0.971 1.00 0.00 O ATOM 128 C5' DG A 5 -3.357 -9.020 -0.841 1.00 0.00 C ATOM 129 C4' DG A 5 -3.007 -9.358 0.589 1.00 0.00 C ATOM 130 O4' DG A 5 -2.594 -8.146 1.264 1.00 0.00 O ATOM 131 C3' DG A 5 -4.148 -9.948 1.415 1.00 0.00 C ATOM 132 O3' DG A 5 -3.658 -10.991 2.265 1.00 0.00 O ATOM 133 C2' DG A 5 -4.660 -8.778 2.235 1.00 0.00 C ATOM 134 C1' DG A 5 -3.500 -7.796 2.294 1.00 0.00 C ATOM 135 N9 DG A 5 -3.887 -6.404 2.093 1.00 0.00 N ATOM 136 C8 DG A 5 -4.911 -5.942 1.307 1.00 0.00 C ATOM 137 N7 DG A 5 -5.023 -4.642 1.315 1.00 0.00 N ATOM 138 C5 DG A 5 -4.011 -4.218 2.167 1.00 0.00 C ATOM 139 C6 DG A 5 -3.642 -2.910 2.578 1.00 0.00 C ATOM 140 O6 DG A 5 -4.147 -1.828 2.255 1.00 0.00 O ATOM 141 N1 DG A 5 -2.566 -2.937 3.458 1.00 0.00 N ATOM 142 C2 DG A 5 -1.920 -4.070 3.879 1.00 0.00 C ATOM 143 N2 DG A 5 -0.895 -3.883 4.720 1.00 0.00 N ATOM 144 N3 DG A 5 -2.251 -5.294 3.504 1.00 0.00 N ATOM 145 C4 DG A 5 -3.300 -5.294 2.655 1.00 0.00 C ATOM 0 H5' DG A 5 -2.802 -8.137 -1.158 1.00 0.00 H new ATOM 0 H5'' DG A 5 -3.058 -9.837 -1.498 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.227 -10.117 0.521 1.00 0.00 H new ATOM 0 H3' DG A 5 -4.929 -10.393 0.799 1.00 0.00 H new ATOM 0 H2' DG A 5 -5.536 -8.325 1.771 1.00 0.00 H new ATOM 0 H2'' DG A 5 -4.957 -9.097 3.234 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.071 -7.864 3.294 1.00 0.00 H new ATOM 0 H8 DG A 5 -5.561 -6.590 0.738 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.231 -2.044 3.819 1.00 0.00 H new ATOM 0 H21 DG A 5 -0.371 -4.684 5.072 1.00 0.00 H new ATOM 0 H22 DG A 5 -0.638 -2.939 5.009 1.00 0.00 H new HETATM 157 P 2AU A 6 -4.696 -11.942 3.044 1.00 0.00 P HETATM 158 OP1 2AU A 6 -4.041 -13.253 3.268 1.00 0.00 O HETATM 159 O5' 2AU A 6 -4.871 -11.227 4.458 1.00 0.00 O HETATM 160 C5' 2AU A 6 -6.074 -10.536 4.795 1.00 0.00 C HETATM 161 C4' 2AU A 6 -5.852 -9.662 6.011 1.00 0.00 C HETATM 162 O4' 2AU A 6 -4.468 -9.796 6.444 1.00 0.00 O HETATM 163 C3' 2AU A 6 -6.073 -8.166 5.807 1.00 0.00 C HETATM 164 O3' 2AU A 6 -6.613 -7.549 6.981 1.00 0.00 O HETATM 165 C2' 2AU A 6 -4.678 -7.653 5.465 1.00 0.00 C HETATM 166 C1' 2AU A 6 -3.808 -8.551 6.340 1.00 0.00 C HETATM 167 N1 2AU A 6 -2.464 -8.783 5.794 1.00 0.00 N HETATM 168 C2 2AU A 6 -1.392 -8.215 6.456 1.00 0.00 C HETATM 169 O2 2AU A 6 -1.518 -7.535 7.460 1.00 0.00 O HETATM 170 N3 2AU A 6 -0.165 -8.470 5.899 1.00 0.00 N HETATM 171 C4 2AU A 6 0.094 -9.218 4.771 1.00 0.00 C HETATM 172 O4 2AU A 6 1.258 -9.360 4.395 1.00 0.00 O HETATM 173 C5 2AU A 6 -1.066 -9.767 4.143 1.00 0.00 C HETATM 174 C6 2AU A 6 -2.277 -9.539 4.659 1.00 0.00 C HETATM 184 OP2 2AU A 6 -5.994 -11.889 2.327 1.00 0.00 O HETATM 0 HO3' 2AU A 6 -6.198 -7.942 7.777 1.00 0.00 H new HETATM 0 H5'' 2AU A 6 -6.399 -9.925 3.953 1.00 0.00 H new HETATM 0 H6 2AU A 6 -3.148 -9.967 4.163 1.00 0.00 H new HETATM 0 H5' 2AU A 6 -6.870 -11.253 4.994 1.00 0.00 H new HETATM 0 H5 2AU A 6 -0.963 -10.372 3.242 1.00 0.00 H new HETATM 0 H4' 2AU A 6 -6.593 -10.012 6.730 1.00 0.00 H new HETATM 0 H3' 2AU A 6 -6.801 -7.938 5.029 1.00 0.00 H new HETATM 0 H3 2AU A 6 0.643 -8.062 6.370 1.00 0.00 H new HETATM 0 H1' 2AU A 6 -3.673 -8.054 7.301 1.00 0.00 H new TER 186 2AU A 6 ATOM 187 O5' DA B 1 -8.064 5.809 11.054 1.00 0.00 O ATOM 188 C5' DA B 1 -6.854 5.812 10.290 1.00 0.00 C ATOM 189 C4' DA B 1 -5.923 4.714 10.744 1.00 0.00 C ATOM 190 O4' DA B 1 -6.702 3.537 11.065 1.00 0.00 O ATOM 191 C3' DA B 1 -4.905 4.261 9.699 1.00 0.00 C ATOM 192 O3' DA B 1 -3.675 4.970 9.881 1.00 0.00 O ATOM 193 C2' DA B 1 -4.743 2.782 10.002 1.00 0.00 C ATOM 194 C1' DA B 1 -6.145 2.394 10.433 1.00 0.00 C ATOM 195 N9 DA B 1 -7.039 2.007 9.339 1.00 0.00 N ATOM 196 C8 DA B 1 -7.835 2.836 8.589 1.00 0.00 C ATOM 197 N7 DA B 1 -8.537 2.212 7.675 1.00 0.00 N ATOM 198 C5 DA B 1 -8.179 0.882 7.831 1.00 0.00 C ATOM 199 C6 DA B 1 -8.575 -0.287 7.158 1.00 0.00 C ATOM 200 N6 DA B 1 -9.453 -0.304 6.154 1.00 0.00 N ATOM 201 N1 DA B 1 -8.028 -1.454 7.555 1.00 0.00 N ATOM 202 C2 DA B 1 -7.144 -1.440 8.558 1.00 0.00 C ATOM 203 N3 DA B 1 -6.693 -0.407 9.271 1.00 0.00 N ATOM 204 C4 DA B 1 -7.256 0.739 8.852 1.00 0.00 C ATOM 0 H5' DA B 1 -6.359 6.778 10.391 1.00 0.00 H new ATOM 0 H5'' DA B 1 -7.087 5.682 9.233 1.00 0.00 H new ATOM 0 H4' DA B 1 -5.382 5.138 11.590 1.00 0.00 H new ATOM 0 H3' DA B 1 -5.210 4.447 8.669 1.00 0.00 H new ATOM 0 H2' DA B 1 -4.414 2.220 9.128 1.00 0.00 H new ATOM 0 H2'' DA B 1 -4.010 2.604 10.789 1.00 0.00 H new ATOM 0 HO5' DA B 1 -8.188 4.929 11.467 1.00 0.00 H new ATOM 0 H1' DA B 1 -6.059 1.519 11.077 1.00 0.00 H new ATOM 0 H8 DA B 1 -7.879 3.905 8.738 1.00 0.00 H new ATOM 0 H61 DA B 1 -9.699 -1.187 5.706 1.00 0.00 H new ATOM 0 H62 DA B 1 -9.879 0.566 5.834 1.00 0.00 H new ATOM 0 H2 DA B 1 -6.737 -2.403 8.830 1.00 0.00 H new ATOM 217 P DC B 2 -2.341 4.462 9.143 1.00 0.00 P ATOM 218 OP1 DC B 2 -1.204 5.266 9.663 1.00 0.00 O ATOM 219 OP2 DC B 2 -2.614 4.439 7.684 1.00 0.00 O ATOM 220 O5' DC B 2 -2.175 2.958 9.646 1.00 0.00 O ATOM 221 C5' DC B 2 -0.917 2.479 10.115 1.00 0.00 C ATOM 222 C4' DC B 2 -0.181 1.767 9.005 1.00 0.00 C ATOM 223 O4' DC B 2 -1.104 1.328 7.993 1.00 0.00 O ATOM 224 C3' DC B 2 0.835 2.635 8.266 1.00 0.00 C ATOM 225 O3' DC B 2 2.149 2.403 8.786 1.00 0.00 O ATOM 226 C2' DC B 2 0.730 2.178 6.813 1.00 0.00 C ATOM 227 C1' DC B 2 -0.368 1.119 6.811 1.00 0.00 C ATOM 228 N1 DC B 2 -1.312 1.174 5.681 1.00 0.00 N ATOM 229 C2 DC B 2 -1.617 -0.010 5.000 1.00 0.00 C ATOM 230 O2 DC B 2 -1.066 -1.065 5.349 1.00 0.00 O ATOM 231 N3 DC B 2 -2.502 0.023 3.980 1.00 0.00 N ATOM 232 C4 DC B 2 -3.068 1.178 3.625 1.00 0.00 C ATOM 233 N4 DC B 2 -3.944 1.162 2.620 1.00 0.00 N ATOM 234 C5 DC B 2 -2.765 2.402 4.289 1.00 0.00 C ATOM 235 C6 DC B 2 -1.895 2.354 5.305 1.00 0.00 C ATOM 0 H5' DC B 2 -1.069 1.800 10.954 1.00 0.00 H new ATOM 0 H5'' DC B 2 -0.317 3.312 10.483 1.00 0.00 H new ATOM 0 H4' DC B 2 0.335 0.950 9.509 1.00 0.00 H new ATOM 0 H3' DC B 2 0.645 3.703 8.374 1.00 0.00 H new ATOM 0 H2' DC B 2 0.478 3.009 6.155 1.00 0.00 H new ATOM 0 H2'' DC B 2 1.675 1.767 6.459 1.00 0.00 H new ATOM 0 H1' DC B 2 0.121 0.148 6.730 1.00 0.00 H new ATOM 0 H41 DC B 2 -4.395 2.027 2.323 1.00 0.00 H new ATOM 0 H42 DC B 2 -4.163 0.285 2.148 1.00 0.00 H new ATOM 0 H5 DC B 2 -3.220 3.333 3.984 1.00 0.00 H new ATOM 0 H6 DC B 2 -1.649 3.261 5.837 1.00 0.00 H new ATOM 247 P DG B 3 3.406 3.197 8.172 1.00 0.00 P ATOM 248 OP1 DG B 3 4.315 3.559 9.287 1.00 0.00 O ATOM 249 OP2 DG B 3 2.884 4.263 7.282 1.00 0.00 O ATOM 250 O5' DG B 3 4.136 2.109 7.266 1.00 0.00 O ATOM 251 C5' DG B 3 4.135 0.729 7.635 1.00 0.00 C ATOM 252 C4' DG B 3 4.655 -0.120 6.498 1.00 0.00 C ATOM 253 O4' DG B 3 3.553 -0.424 5.609 1.00 0.00 O ATOM 254 C3' DG B 3 5.737 0.536 5.639 1.00 0.00 C ATOM 255 O3' DG B 3 6.758 -0.418 5.322 1.00 0.00 O ATOM 256 C2' DG B 3 4.994 0.979 4.390 1.00 0.00 C ATOM 257 C1' DG B 3 3.841 -0.001 4.288 1.00 0.00 C ATOM 258 N9 DG B 3 2.616 0.553 3.721 1.00 0.00 N ATOM 259 C8 DG B 3 2.133 1.830 3.867 1.00 0.00 C ATOM 260 N7 DG B 3 1.005 2.029 3.241 1.00 0.00 N ATOM 261 C5 DG B 3 0.728 0.808 2.641 1.00 0.00 C ATOM 262 C6 DG B 3 -0.362 0.409 1.824 1.00 0.00 C ATOM 263 O6 DG B 3 -1.332 1.078 1.452 1.00 0.00 O ATOM 264 N1 DG B 3 -0.248 -0.920 1.432 1.00 0.00 N ATOM 265 C2 DG B 3 0.783 -1.757 1.776 1.00 0.00 C ATOM 266 N2 DG B 3 0.716 -3.002 1.297 1.00 0.00 N ATOM 267 N3 DG B 3 1.804 -1.400 2.534 1.00 0.00 N ATOM 268 C4 DG B 3 1.712 -0.113 2.929 1.00 0.00 C ATOM 0 H5' DG B 3 3.124 0.417 7.898 1.00 0.00 H new ATOM 0 H5'' DG B 3 4.754 0.582 8.520 1.00 0.00 H new ATOM 0 H4' DG B 3 5.100 -0.995 6.972 1.00 0.00 H new ATOM 0 H3' DG B 3 6.237 1.366 6.137 1.00 0.00 H new ATOM 0 H2' DG B 3 4.639 2.006 4.479 1.00 0.00 H new ATOM 0 H2'' DG B 3 5.633 0.937 3.508 1.00 0.00 H new ATOM 0 H1' DG B 3 4.152 -0.801 3.616 1.00 0.00 H new ATOM 0 H8 DG B 3 2.636 2.593 4.442 1.00 0.00 H new ATOM 0 H1 DG B 3 -0.988 -1.302 0.843 1.00 0.00 H new ATOM 0 H21 DG B 3 1.452 -3.673 1.517 1.00 0.00 H new ATOM 0 H22 DG B 3 -0.071 -3.281 0.712 1.00 0.00 H new ATOM 280 P DC B 4 7.920 -0.036 4.275 1.00 0.00 P ATOM 281 OP1 DC B 4 9.183 -0.657 4.740 1.00 0.00 O ATOM 282 OP2 DC B 4 7.871 1.429 4.041 1.00 0.00 O ATOM 283 O5' DC B 4 7.473 -0.765 2.932 1.00 0.00 O ATOM 284 C5' DC B 4 6.660 -1.938 2.974 1.00 0.00 C ATOM 285 C4' DC B 4 6.946 -2.824 1.783 1.00 0.00 C ATOM 286 O4' DC B 4 5.778 -2.848 0.937 1.00 0.00 O ATOM 287 C3' DC B 4 8.095 -2.372 0.883 1.00 0.00 C ATOM 288 O3' DC B 4 8.774 -3.505 0.328 1.00 0.00 O ATOM 289 C2' DC B 4 7.410 -1.573 -0.215 1.00 0.00 C ATOM 290 C1' DC B 4 5.926 -1.914 -0.117 1.00 0.00 C ATOM 291 N1 DC B 4 5.050 -0.765 0.168 1.00 0.00 N ATOM 292 C2 DC B 4 3.775 -0.731 -0.406 1.00 0.00 C ATOM 293 O2 DC B 4 3.420 -1.669 -1.134 1.00 0.00 O ATOM 294 N3 DC B 4 2.964 0.321 -0.154 1.00 0.00 N ATOM 295 C4 DC B 4 3.383 1.310 0.638 1.00 0.00 C ATOM 296 N4 DC B 4 2.548 2.321 0.868 1.00 0.00 N ATOM 297 C5 DC B 4 4.677 1.303 1.233 1.00 0.00 C ATOM 298 C6 DC B 4 5.469 0.255 0.976 1.00 0.00 C ATOM 0 H5' DC B 4 5.607 -1.657 2.981 1.00 0.00 H new ATOM 0 H5'' DC B 4 6.850 -2.486 3.897 1.00 0.00 H new ATOM 0 H4' DC B 4 7.221 -3.787 2.214 1.00 0.00 H new ATOM 0 H3' DC B 4 8.847 -1.793 1.420 1.00 0.00 H new ATOM 0 H2' DC B 4 7.575 -0.504 -0.081 1.00 0.00 H new ATOM 0 H2'' DC B 4 7.807 -1.836 -1.195 1.00 0.00 H new ATOM 0 H1' DC B 4 5.621 -2.298 -1.091 1.00 0.00 H new ATOM 0 H41 DC B 4 2.836 3.094 1.469 1.00 0.00 H new ATOM 0 H42 DC B 4 1.620 2.323 0.444 1.00 0.00 H new ATOM 0 H5 DC B 4 5.007 2.112 1.867 1.00 0.00 H new ATOM 0 H6 DC B 4 6.455 0.215 1.414 1.00 0.00 H new ATOM 310 P DG B 5 9.997 -3.283 -0.697 1.00 0.00 P ATOM 311 OP1 DG B 5 10.828 -4.512 -0.705 1.00 0.00 O ATOM 312 OP2 DG B 5 10.626 -1.980 -0.374 1.00 0.00 O ATOM 313 O5' DG B 5 9.289 -3.147 -2.120 1.00 0.00 O ATOM 314 C5' DG B 5 8.347 -4.125 -2.566 1.00 0.00 C ATOM 315 C4' DG B 5 8.059 -3.950 -4.039 1.00 0.00 C ATOM 316 O4' DG B 5 6.875 -3.131 -4.185 1.00 0.00 O ATOM 317 C3' DG B 5 9.164 -3.263 -4.839 1.00 0.00 C ATOM 318 O3' DG B 5 9.306 -3.883 -6.122 1.00 0.00 O ATOM 319 C2' DG B 5 8.687 -1.830 -4.981 1.00 0.00 C ATOM 320 C1' DG B 5 7.178 -1.893 -4.802 1.00 0.00 C ATOM 321 N9 DG B 5 6.633 -0.832 -3.962 1.00 0.00 N ATOM 322 C8 DG B 5 7.251 -0.228 -2.898 1.00 0.00 C ATOM 323 N7 DG B 5 6.521 0.692 -2.329 1.00 0.00 N ATOM 324 C5 DG B 5 5.345 0.699 -3.068 1.00 0.00 C ATOM 325 C6 DG B 5 4.177 1.494 -2.932 1.00 0.00 C ATOM 326 O6 DG B 5 3.936 2.375 -2.098 1.00 0.00 O ATOM 327 N1 DG B 5 3.230 1.180 -3.901 1.00 0.00 N ATOM 328 C2 DG B 5 3.380 0.219 -4.868 1.00 0.00 C ATOM 329 N2 DG B 5 2.344 0.059 -5.701 1.00 0.00 N ATOM 330 N3 DG B 5 4.461 -0.530 -5.006 1.00 0.00 N ATOM 331 C4 DG B 5 5.398 -0.237 -4.080 1.00 0.00 C ATOM 0 H5' DG B 5 7.423 -4.035 -1.996 1.00 0.00 H new ATOM 0 H5'' DG B 5 8.738 -5.126 -2.382 1.00 0.00 H new ATOM 0 H4' DG B 5 7.951 -4.961 -4.432 1.00 0.00 H new ATOM 0 H3' DG B 5 10.139 -3.327 -4.355 1.00 0.00 H new ATOM 0 H2' DG B 5 9.146 -1.186 -4.231 1.00 0.00 H new ATOM 0 H2'' DG B 5 8.951 -1.422 -5.957 1.00 0.00 H new ATOM 0 H1' DG B 5 6.731 -1.776 -5.789 1.00 0.00 H new ATOM 0 H8 DG B 5 8.244 -0.488 -2.563 1.00 0.00 H new ATOM 0 H1 DG B 5 2.356 1.705 -3.892 1.00 0.00 H new ATOM 0 H21 DG B 5 2.390 -0.639 -6.443 1.00 0.00 H new ATOM 0 H22 DG B 5 1.509 0.635 -5.593 1.00 0.00 H new HETATM 343 P 2AU B 6 10.567 -3.516 -7.053 1.00 0.00 P HETATM 344 OP1 2AU B 6 10.828 -4.689 -7.921 1.00 0.00 O HETATM 345 O5' 2AU B 6 10.022 -2.335 -7.974 1.00 0.00 O HETATM 346 C5' 2AU B 6 10.449 -0.987 -7.780 1.00 0.00 C HETATM 347 C4' 2AU B 6 9.533 -0.036 -8.521 1.00 0.00 C HETATM 348 O4' 2AU B 6 8.493 -0.805 -9.188 1.00 0.00 O HETATM 349 C3' 2AU B 6 8.797 0.988 -7.662 1.00 0.00 C HETATM 350 O3' 2AU B 6 8.630 2.231 -8.351 1.00 0.00 O HETATM 351 C2' 2AU B 6 7.469 0.300 -7.365 1.00 0.00 C HETATM 352 C1' 2AU B 6 7.226 -0.454 -8.670 1.00 0.00 C HETATM 353 N1 2AU B 6 6.436 -1.681 -8.503 1.00 0.00 N HETATM 354 C2 2AU B 6 5.155 -1.699 -9.022 1.00 0.00 C HETATM 355 O2 2AU B 6 4.662 -0.747 -9.602 1.00 0.00 O HETATM 356 N3 2AU B 6 4.471 -2.874 -8.837 1.00 0.00 N HETATM 357 C4 2AU B 6 4.926 -4.007 -8.199 1.00 0.00 C HETATM 358 O4 2AU B 6 4.191 -4.990 -8.115 1.00 0.00 O HETATM 359 C5 2AU B 6 6.257 -3.907 -7.687 1.00 0.00 C HETATM 360 C6 2AU B 6 6.953 -2.778 -7.850 1.00 0.00 C HETATM 370 OP2 2AU B 6 11.657 -2.986 -6.197 1.00 0.00 O HETATM 0 HO3' 2AU B 6 8.430 2.058 -9.295 1.00 0.00 H new HETATM 0 H5'' 2AU B 6 10.450 -0.748 -6.717 1.00 0.00 H new HETATM 0 H6 2AU B 6 7.966 -2.723 -7.452 1.00 0.00 H new HETATM 0 H5' 2AU B 6 11.473 -0.868 -8.135 1.00 0.00 H new HETATM 0 H5 2AU B 6 6.704 -4.752 -7.163 1.00 0.00 H new HETATM 0 H4' 2AU B 6 10.199 0.510 -9.189 1.00 0.00 H new HETATM 0 H3' 2AU B 6 9.337 1.259 -6.755 1.00 0.00 H new HETATM 0 H3 2AU B 6 3.523 -2.913 -9.212 1.00 0.00 H new HETATM 0 H1' 2AU B 6 6.655 0.196 -9.333 1.00 0.00 H new TER 372 2AU B 6 HETATM 373 C4A AQC A 7 -4.483 -1.189 6.609 1.00 0.00 C HETATM 374 C1A AQC A 7 -5.384 -1.493 5.563 1.00 0.00 C HETATM 375 C9 AQC A 7 -6.147 -0.412 4.864 1.00 0.00 C HETATM 376 C8A AQC A 7 -5.913 0.995 5.318 1.00 0.00 C HETATM 377 C5A AQC A 7 -5.010 1.289 6.362 1.00 0.00 C HETATM 378 C10 AQC A 7 -4.253 0.214 7.061 1.00 0.00 C HETATM 379 C4 AQC A 7 -3.786 -2.221 7.241 1.00 0.00 C HETATM 380 C3 AQC A 7 -3.977 -3.543 6.841 1.00 0.00 C HETATM 381 C2 AQC A 7 -4.874 -3.854 5.798 1.00 0.00 C HETATM 382 C1 AQC A 7 -5.569 -2.819 5.171 1.00 0.00 C HETATM 383 C8 AQC A 7 -6.603 2.038 4.691 1.00 0.00 C HETATM 384 C5 AQC A 7 -4.818 2.618 6.754 1.00 0.00 C HETATM 385 C7 AQC A 7 -6.399 3.356 5.094 1.00 0.00 C HETATM 386 C6 AQC A 7 -5.505 3.643 6.126 1.00 0.00 C HETATM 387 C1L AQC A 7 -5.150 -5.248 5.292 1.00 0.00 C HETATM 388 N2' AQC A 7 -4.483 -6.275 5.886 1.00 0.00 N HETATM 389 O9 AQC A 7 -6.926 -0.668 3.961 1.00 0.00 O HETATM 390 O10 AQC A 7 -3.477 0.464 7.962 1.00 0.00 O HETATM 391 O1L AQC A 7 -5.939 -5.444 4.383 1.00 0.00 O HETATM 0 HN2' AQC A 7 -3.826 -6.086 6.643 1.00 0.00 H new HETATM 0 H8 AQC A 7 -7.303 1.819 3.884 1.00 0.00 H new HETATM 0 H7 AQC A 7 -6.939 4.165 4.602 1.00 0.00 H new HETATM 0 H6 AQC A 7 -5.347 4.675 6.438 1.00 0.00 H new HETATM 0 H5 AQC A 7 -4.122 2.849 7.560 1.00 0.00 H new HETATM 0 H4 AQC A 7 -3.091 -1.992 8.049 1.00 0.00 H new HETATM 0 H3 AQC A 7 -3.428 -4.343 7.339 1.00 0.00 H new HETATM 0 H1 AQC A 7 -6.265 -3.050 4.365 1.00 0.00 H new HETATM 400 C4A AQC B 7 3.082 4.872 -5.636 1.00 0.00 C HETATM 401 C1A AQC B 7 4.129 4.790 -4.691 1.00 0.00 C HETATM 402 C9 AQC B 7 4.148 5.670 -3.481 1.00 0.00 C HETATM 403 C8A AQC B 7 3.014 6.633 -3.318 1.00 0.00 C HETATM 404 C5A AQC B 7 1.971 6.707 -4.267 1.00 0.00 C HETATM 405 C10 AQC B 7 1.954 5.834 -5.472 1.00 0.00 C HETATM 406 C4 AQC B 7 3.095 4.035 -6.755 1.00 0.00 C HETATM 407 C3 AQC B 7 4.134 3.123 -6.936 1.00 0.00 C HETATM 408 C2 AQC B 7 5.182 3.036 -5.997 1.00 0.00 C HETATM 409 C1 AQC B 7 5.166 3.874 -4.882 1.00 0.00 C HETATM 410 C8 AQC B 7 2.988 7.474 -2.201 1.00 0.00 C HETATM 411 C5 AQC B 7 0.928 7.619 -4.076 1.00 0.00 C HETATM 412 C7 AQC B 7 1.941 8.377 -2.026 1.00 0.00 C HETATM 413 C6 AQC B 7 0.911 8.447 -2.966 1.00 0.00 C HETATM 414 C1L AQC B 7 6.349 2.084 -6.101 1.00 0.00 C HETATM 415 N2' AQC B 7 6.388 1.255 -7.179 1.00 0.00 N HETATM 416 O9 AQC B 7 5.049 5.604 -2.662 1.00 0.00 O HETATM 417 O10 AQC B 7 1.059 5.896 -6.292 1.00 0.00 O HETATM 418 O1L AQC B 7 7.221 2.062 -5.249 1.00 0.00 O HETATM 0 HN2' AQC B 7 5.646 1.292 -7.878 1.00 0.00 H new HETATM 0 H8 AQC B 7 3.790 7.423 -1.464 1.00 0.00 H new HETATM 0 H7 AQC B 7 1.926 9.030 -1.153 1.00 0.00 H new HETATM 0 H6 AQC B 7 0.093 9.154 -2.826 1.00 0.00 H new HETATM 0 H5 AQC B 7 0.122 7.679 -4.807 1.00 0.00 H new HETATM 0 H4 AQC B 7 2.291 4.095 -7.488 1.00 0.00 H new HETATM 0 H3 AQC B 7 4.136 2.472 -7.810 1.00 0.00 H new HETATM 0 H1 AQC B 7 5.972 3.813 -4.151 1.00 0.00 H new