USER MOD reduce.3.24.130724 H: found=0, std=0, add=180, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 180 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 Set 1.1: A 4 DT C7 :methyl -30:sc= -3.31! (180deg=-4.74!) USER MOD Set 1.2: B 8 DT C7 :methyl 150:sc= -0.508 (180deg=-0.364) USER MOD Set 2.1: A 8 DT C7 :methyl 150:sc= -2.41! (180deg=-2.16!) USER MOD Set 2.2: B 4 DT C7 :methyl -30:sc= -1.37 (180deg=-1.43!) USER MOD ----------------------------------------------------------------- ATOM 1 P DC A 1 6.061 2.951 -9.727 1.00 0.00 P ATOM 2 OP1 DC A 1 7.207 3.884 -9.683 1.00 0.00 O ATOM 3 OP2 DC A 1 5.359 2.723 -11.009 1.00 0.00 O ATOM 4 O5' DC A 1 6.537 1.515 -9.157 1.00 0.00 O ATOM 5 C5' DC A 1 7.289 0.609 -9.948 1.00 0.00 C ATOM 6 C4' DC A 1 8.748 0.494 -9.483 1.00 0.00 C ATOM 7 O4' DC A 1 9.384 1.752 -9.598 1.00 0.00 O ATOM 8 C3' DC A 1 8.888 0.063 -8.016 1.00 0.00 C ATOM 9 O3' DC A 1 9.542 -1.188 -7.904 1.00 0.00 O ATOM 10 C2' DC A 1 9.828 1.095 -7.407 1.00 0.00 C ATOM 11 C1' DC A 1 10.407 1.808 -8.627 1.00 0.00 C ATOM 12 N1 DC A 1 10.733 3.219 -8.303 1.00 0.00 N ATOM 13 C2 DC A 1 12.038 3.690 -8.470 1.00 0.00 C ATOM 14 O2 DC A 1 12.930 2.960 -8.899 1.00 0.00 O ATOM 15 N3 DC A 1 12.305 4.988 -8.142 1.00 0.00 N ATOM 16 C4 DC A 1 11.344 5.797 -7.671 1.00 0.00 C ATOM 17 N4 DC A 1 11.665 7.056 -7.358 1.00 0.00 N ATOM 18 C5 DC A 1 9.997 5.332 -7.493 1.00 0.00 C ATOM 19 C6 DC A 1 9.747 4.044 -7.824 1.00 0.00 C ATOM 0 H5' DC A 1 7.267 0.935 -10.988 1.00 0.00 H new ATOM 0 H5'' DC A 1 6.821 -0.375 -9.912 1.00 0.00 H new ATOM 0 H4' DC A 1 9.203 -0.266 -10.118 1.00 0.00 H new ATOM 0 H3' DC A 1 7.909 -0.011 -7.544 1.00 0.00 H new ATOM 0 H2' DC A 1 9.297 1.786 -6.752 1.00 0.00 H new ATOM 0 H2'' DC A 1 10.608 0.625 -6.808 1.00 0.00 H new ATOM 0 H1' DC A 1 11.331 1.344 -8.971 1.00 0.00 H new ATOM 0 H41 DC A 1 10.951 7.690 -6.998 1.00 0.00 H new ATOM 0 H42 DC A 1 12.624 7.383 -7.479 1.00 0.00 H new ATOM 0 H5 DC A 1 9.221 5.979 -7.113 1.00 0.00 H new ATOM 0 H6 DC A 1 8.746 3.656 -7.708 1.00 0.00 H new ATOM 31 P DC A 2 8.737 -2.557 -7.620 1.00 0.00 P ATOM 32 OP1 DC A 2 9.721 -3.661 -7.575 1.00 0.00 O ATOM 33 OP2 DC A 2 7.595 -2.630 -8.558 1.00 0.00 O ATOM 34 O5' DC A 2 8.152 -2.345 -6.129 1.00 0.00 O ATOM 35 C5' DC A 2 8.927 -1.749 -5.109 1.00 0.00 C ATOM 36 C4' DC A 2 8.224 -1.669 -3.748 1.00 0.00 C ATOM 37 O4' DC A 2 7.114 -0.810 -3.644 1.00 0.00 O ATOM 38 C3' DC A 2 7.916 -2.991 -3.046 1.00 0.00 C ATOM 39 O3' DC A 2 8.531 -2.918 -1.768 1.00 0.00 O ATOM 40 C2' DC A 2 6.396 -2.975 -3.012 1.00 0.00 C ATOM 41 C1' DC A 2 6.052 -1.490 -3.000 1.00 0.00 C ATOM 42 N1 DC A 2 4.882 -1.260 -3.851 1.00 0.00 N ATOM 43 C2 DC A 2 3.723 -0.751 -3.298 1.00 0.00 C ATOM 44 O2 DC A 2 3.612 -0.666 -2.082 1.00 0.00 O ATOM 45 N3 DC A 2 2.730 -0.349 -4.137 1.00 0.00 N ATOM 46 C4 DC A 2 2.855 -0.493 -5.463 1.00 0.00 C ATOM 47 N4 DC A 2 1.891 0.009 -6.239 1.00 0.00 N ATOM 48 C5 DC A 2 4.040 -1.069 -6.048 1.00 0.00 C ATOM 49 C6 DC A 2 5.028 -1.417 -5.193 1.00 0.00 C ATOM 0 H5' DC A 2 9.205 -0.742 -5.421 1.00 0.00 H new ATOM 0 H5'' DC A 2 9.852 -2.314 -4.994 1.00 0.00 H new ATOM 0 H4' DC A 2 9.042 -1.197 -3.204 1.00 0.00 H new ATOM 0 H3' DC A 2 8.278 -3.911 -3.505 1.00 0.00 H new ATOM 0 H2' DC A 2 5.970 -3.478 -3.880 1.00 0.00 H new ATOM 0 H2'' DC A 2 6.010 -3.483 -2.128 1.00 0.00 H new ATOM 0 H1' DC A 2 5.878 -1.159 -1.976 1.00 0.00 H new ATOM 0 H41 DC A 2 1.953 -0.082 -7.253 1.00 0.00 H new ATOM 0 H42 DC A 2 1.093 0.484 -5.818 1.00 0.00 H new ATOM 0 H5 DC A 2 4.134 -1.215 -7.114 1.00 0.00 H new ATOM 0 H6 DC A 2 5.948 -1.826 -5.583 1.00 0.00 H new ATOM 61 P DG A 3 8.450 -4.094 -0.672 1.00 0.00 P ATOM 62 OP1 DG A 3 9.508 -3.867 0.339 1.00 0.00 O ATOM 63 OP2 DG A 3 8.372 -5.393 -1.375 1.00 0.00 O ATOM 64 O5' DG A 3 7.032 -3.810 0.026 1.00 0.00 O ATOM 65 C5' DG A 3 6.780 -2.639 0.782 1.00 0.00 C ATOM 66 C4' DG A 3 5.315 -2.649 1.222 1.00 0.00 C ATOM 67 O4' DG A 3 4.556 -2.533 0.047 1.00 0.00 O ATOM 68 C3' DG A 3 4.916 -3.980 1.865 1.00 0.00 C ATOM 69 O3' DG A 3 4.748 -3.855 3.259 1.00 0.00 O ATOM 70 C2' DG A 3 3.541 -4.224 1.266 1.00 0.00 C ATOM 71 C1' DG A 3 3.287 -3.055 0.326 1.00 0.00 C ATOM 72 N9 DG A 3 2.697 -3.458 -0.964 1.00 0.00 N ATOM 73 C8 DG A 3 3.298 -4.234 -1.911 1.00 0.00 C ATOM 74 N7 DG A 3 2.745 -4.175 -3.090 1.00 0.00 N ATOM 75 C5 DG A 3 1.656 -3.330 -2.895 1.00 0.00 C ATOM 76 C6 DG A 3 0.673 -2.864 -3.821 1.00 0.00 C ATOM 77 O6 DG A 3 0.631 -3.054 -5.032 1.00 0.00 O ATOM 78 N1 DG A 3 -0.327 -2.113 -3.205 1.00 0.00 N ATOM 79 C2 DG A 3 -0.330 -1.782 -1.869 1.00 0.00 C ATOM 80 N2 DG A 3 -1.387 -1.085 -1.452 1.00 0.00 N ATOM 81 N3 DG A 3 0.630 -2.158 -1.010 1.00 0.00 N ATOM 82 C4 DG A 3 1.586 -2.934 -1.580 1.00 0.00 C ATOM 0 H5' DG A 3 6.990 -1.751 0.186 1.00 0.00 H new ATOM 0 H5'' DG A 3 7.436 -2.601 1.652 1.00 0.00 H new ATOM 0 H4' DG A 3 5.155 -1.849 1.945 1.00 0.00 H new ATOM 0 H3' DG A 3 5.661 -4.758 1.695 1.00 0.00 H new ATOM 0 H2' DG A 3 3.511 -5.172 0.729 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.779 -4.274 2.043 1.00 0.00 H new ATOM 0 H1' DG A 3 2.590 -2.363 0.798 1.00 0.00 H new ATOM 0 H8 DG A 3 4.162 -4.847 -1.701 1.00 0.00 H new ATOM 0 H1 DG A 3 -1.105 -1.789 -3.780 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.459 -0.804 -0.474 1.00 0.00 H new ATOM 0 H22 DG A 3 -2.124 -0.833 -2.111 1.00 0.00 H new ATOM 94 P DT A 4 5.838 -4.456 4.277 1.00 0.00 P ATOM 95 OP1 DT A 4 7.023 -3.569 4.294 1.00 0.00 O ATOM 96 OP2 DT A 4 6.001 -5.898 3.992 1.00 0.00 O ATOM 97 O5' DT A 4 5.043 -4.306 5.661 1.00 0.00 O ATOM 98 C5' DT A 4 4.937 -3.059 6.312 1.00 0.00 C ATOM 99 C4' DT A 4 3.686 -3.030 7.189 1.00 0.00 C ATOM 100 O4' DT A 4 2.539 -2.991 6.356 1.00 0.00 O ATOM 101 C3' DT A 4 3.566 -4.278 8.071 1.00 0.00 C ATOM 102 O3' DT A 4 3.178 -3.894 9.378 1.00 0.00 O ATOM 103 C2' DT A 4 2.424 -5.037 7.413 1.00 0.00 C ATOM 104 C1' DT A 4 1.587 -3.878 6.904 1.00 0.00 C ATOM 105 N1 DT A 4 0.586 -4.354 5.924 1.00 0.00 N ATOM 106 C2 DT A 4 -0.697 -4.647 6.382 1.00 0.00 C ATOM 107 O2 DT A 4 -1.037 -4.523 7.557 1.00 0.00 O ATOM 108 N3 DT A 4 -1.598 -5.097 5.430 1.00 0.00 N ATOM 109 C4 DT A 4 -1.325 -5.290 4.084 1.00 0.00 C ATOM 110 O4 DT A 4 -2.221 -5.671 3.333 1.00 0.00 O ATOM 111 C5 DT A 4 0.049 -5.008 3.697 1.00 0.00 C ATOM 112 C7 DT A 4 0.444 -5.163 2.239 1.00 0.00 C ATOM 113 C6 DT A 4 0.948 -4.562 4.618 1.00 0.00 C ATOM 0 H5' DT A 4 4.892 -2.258 5.575 1.00 0.00 H new ATOM 0 H5'' DT A 4 5.823 -2.882 6.922 1.00 0.00 H new ATOM 0 H4' DT A 4 3.761 -2.151 7.829 1.00 0.00 H new ATOM 0 H3' DT A 4 4.490 -4.850 8.154 1.00 0.00 H new ATOM 0 H2' DT A 4 2.767 -5.687 6.608 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.880 -5.664 8.120 1.00 0.00 H new ATOM 0 H1' DT A 4 0.995 -3.385 7.675 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.545 -5.304 5.747 1.00 0.00 H new ATOM 0 H71 DT A 4 -0.168 -5.938 1.777 1.00 0.00 H new ATOM 0 H72 DT A 4 0.289 -4.218 1.718 1.00 0.00 H new ATOM 0 H73 DT A 4 1.495 -5.444 2.175 1.00 0.00 H new ATOM 0 H6 DT A 4 1.966 -4.368 4.314 1.00 0.00 H new ATOM 126 P DC A 5 4.013 -4.350 10.677 1.00 0.00 P ATOM 127 OP1 DC A 5 4.353 -5.783 10.528 1.00 0.00 O ATOM 128 OP2 DC A 5 3.285 -3.891 11.880 1.00 0.00 O ATOM 129 O5' DC A 5 5.377 -3.497 10.543 1.00 0.00 O ATOM 130 C5' DC A 5 5.514 -2.191 11.073 1.00 0.00 C ATOM 131 C4' DC A 5 6.967 -1.728 10.914 1.00 0.00 C ATOM 132 O4' DC A 5 7.820 -2.724 11.449 1.00 0.00 O ATOM 133 C3' DC A 5 7.364 -1.500 9.450 1.00 0.00 C ATOM 134 O3' DC A 5 7.968 -0.226 9.286 1.00 0.00 O ATOM 135 C2' DC A 5 8.407 -2.567 9.159 1.00 0.00 C ATOM 136 C1' DC A 5 8.880 -2.987 10.551 1.00 0.00 C ATOM 137 N1 DC A 5 9.193 -4.440 10.588 1.00 0.00 N ATOM 138 C2 DC A 5 10.460 -4.867 10.993 1.00 0.00 C ATOM 139 O2 DC A 5 11.339 -4.062 11.290 1.00 0.00 O ATOM 140 N3 DC A 5 10.705 -6.208 11.051 1.00 0.00 N ATOM 141 C4 DC A 5 9.757 -7.102 10.732 1.00 0.00 C ATOM 142 N4 DC A 5 10.052 -8.404 10.807 1.00 0.00 N ATOM 143 C5 DC A 5 8.448 -6.686 10.313 1.00 0.00 C ATOM 144 C6 DC A 5 8.217 -5.353 10.261 1.00 0.00 C ATOM 0 H5' DC A 5 5.231 -2.182 12.126 1.00 0.00 H new ATOM 0 H5'' DC A 5 4.843 -1.505 10.556 1.00 0.00 H new ATOM 0 H4' DC A 5 7.063 -0.778 11.439 1.00 0.00 H new ATOM 0 H3' DC A 5 6.497 -1.548 8.792 1.00 0.00 H new ATOM 0 H2' DC A 5 7.981 -3.406 8.609 1.00 0.00 H new ATOM 0 H2'' DC A 5 9.227 -2.174 8.557 1.00 0.00 H new ATOM 0 H1' DC A 5 9.783 -2.437 10.817 1.00 0.00 H new ATOM 0 H41 DC A 5 9.347 -9.101 10.569 1.00 0.00 H new ATOM 0 H42 DC A 5 10.982 -8.700 11.102 1.00 0.00 H new ATOM 0 H5 DC A 5 7.684 -7.403 10.052 1.00 0.00 H new ATOM 0 H6 DC A 5 7.244 -4.998 9.956 1.00 0.00 H new ATOM 156 P DC A 6 7.133 1.061 8.777 1.00 0.00 P ATOM 157 OP1 DC A 6 7.743 2.268 9.377 1.00 0.00 O ATOM 158 OP2 DC A 6 5.692 0.792 8.982 1.00 0.00 O ATOM 159 O5' DC A 6 7.421 1.102 7.182 1.00 0.00 O ATOM 160 C5' DC A 6 7.776 -0.067 6.467 1.00 0.00 C ATOM 161 C4' DC A 6 7.632 0.032 4.940 1.00 0.00 C ATOM 162 O4' DC A 6 6.482 -0.605 4.420 1.00 0.00 O ATOM 163 C3' DC A 6 7.738 1.407 4.278 1.00 0.00 C ATOM 164 O3' DC A 6 8.518 1.241 3.104 1.00 0.00 O ATOM 165 C2' DC A 6 6.277 1.717 3.999 1.00 0.00 C ATOM 166 C1' DC A 6 5.638 0.346 3.806 1.00 0.00 C ATOM 167 N1 DC A 6 4.351 0.298 4.514 1.00 0.00 N ATOM 168 C2 DC A 6 3.185 0.084 3.803 1.00 0.00 C ATOM 169 O2 DC A 6 3.207 0.058 2.580 1.00 0.00 O ATOM 170 N3 DC A 6 2.029 -0.100 4.497 1.00 0.00 N ATOM 171 C4 DC A 6 2.011 -0.014 5.835 1.00 0.00 C ATOM 172 N4 DC A 6 0.877 -0.319 6.469 1.00 0.00 N ATOM 173 C5 DC A 6 3.208 0.267 6.583 1.00 0.00 C ATOM 174 C6 DC A 6 4.350 0.388 5.871 1.00 0.00 C ATOM 0 H5' DC A 6 7.158 -0.892 6.822 1.00 0.00 H new ATOM 0 H5'' DC A 6 8.810 -0.318 6.703 1.00 0.00 H new ATOM 0 H4' DC A 6 8.542 -0.505 4.670 1.00 0.00 H new ATOM 0 H3' DC A 6 8.212 2.207 4.847 1.00 0.00 H new ATOM 0 H2' DC A 6 5.819 2.258 4.827 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.164 2.339 3.111 1.00 0.00 H new ATOM 0 H1' DC A 6 5.494 0.150 2.744 1.00 0.00 H new ATOM 0 H41 DC A 6 0.831 -0.264 7.486 1.00 0.00 H new ATOM 0 H42 DC A 6 0.057 -0.607 5.936 1.00 0.00 H new ATOM 0 H5 DC A 6 3.194 0.376 7.657 1.00 0.00 H new ATOM 0 H6 DC A 6 5.281 0.560 6.390 1.00 0.00 H new ATOM 186 P DG A 7 8.862 2.449 2.092 1.00 0.00 P ATOM 187 OP1 DG A 7 10.032 2.048 1.279 1.00 0.00 O ATOM 188 OP2 DG A 7 8.901 3.711 2.863 1.00 0.00 O ATOM 189 O5' DG A 7 7.569 2.483 1.135 1.00 0.00 O ATOM 190 C5' DG A 7 7.251 1.409 0.267 1.00 0.00 C ATOM 191 C4' DG A 7 5.893 1.676 -0.388 1.00 0.00 C ATOM 192 O4' DG A 7 4.944 1.719 0.647 1.00 0.00 O ATOM 193 C3' DG A 7 5.836 3.041 -1.082 1.00 0.00 C ATOM 194 O3' DG A 7 5.806 2.902 -2.483 1.00 0.00 O ATOM 195 C2' DG A 7 4.481 3.586 -0.669 1.00 0.00 C ATOM 196 C1' DG A 7 3.867 2.496 0.196 1.00 0.00 C ATOM 197 N9 DG A 7 3.205 3.020 1.404 1.00 0.00 N ATOM 198 C8 DG A 7 3.812 3.667 2.443 1.00 0.00 C ATOM 199 N7 DG A 7 3.100 3.717 3.534 1.00 0.00 N ATOM 200 C5 DG A 7 1.906 3.097 3.175 1.00 0.00 C ATOM 201 C6 DG A 7 0.739 2.818 3.951 1.00 0.00 C ATOM 202 O6 DG A 7 0.574 3.001 5.152 1.00 0.00 O ATOM 203 N1 DG A 7 -0.290 2.265 3.189 1.00 0.00 N ATOM 204 C2 DG A 7 -0.163 1.932 1.861 1.00 0.00 C ATOM 205 N2 DG A 7 -1.265 1.442 1.301 1.00 0.00 N ATOM 206 N3 DG A 7 0.954 2.118 1.143 1.00 0.00 N ATOM 207 C4 DG A 7 1.944 2.717 1.854 1.00 0.00 C ATOM 0 H5' DG A 7 7.222 0.472 0.824 1.00 0.00 H new ATOM 0 H5'' DG A 7 8.022 1.302 -0.496 1.00 0.00 H new ATOM 0 H4' DG A 7 5.712 0.898 -1.129 1.00 0.00 H new ATOM 0 H3' DG A 7 6.695 3.658 -0.818 1.00 0.00 H new ATOM 0 H2' DG A 7 4.583 4.519 -0.115 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.859 3.798 -1.539 1.00 0.00 H new ATOM 0 H1' DG A 7 3.122 1.962 -0.394 1.00 0.00 H new ATOM 0 H8 DG A 7 4.798 4.100 2.367 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.188 2.098 3.643 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.260 1.169 0.318 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.116 1.339 1.854 1.00 0.00 H new ATOM 219 P DT A 8 7.129 3.114 -3.370 1.00 0.00 P ATOM 220 OP1 DT A 8 7.993 1.920 -3.255 1.00 0.00 O ATOM 221 OP2 DT A 8 7.675 4.460 -3.085 1.00 0.00 O ATOM 222 O5' DT A 8 6.459 3.148 -4.826 1.00 0.00 O ATOM 223 C5' DT A 8 6.032 1.970 -5.476 1.00 0.00 C ATOM 224 C4' DT A 8 4.944 2.306 -6.500 1.00 0.00 C ATOM 225 O4' DT A 8 3.719 2.512 -5.813 1.00 0.00 O ATOM 226 C3' DT A 8 5.245 3.598 -7.279 1.00 0.00 C ATOM 227 O3' DT A 8 4.959 3.451 -8.658 1.00 0.00 O ATOM 228 C2' DT A 8 4.245 4.575 -6.685 1.00 0.00 C ATOM 229 C1' DT A 8 3.093 3.634 -6.397 1.00 0.00 C ATOM 230 N1 DT A 8 2.106 4.297 -5.521 1.00 0.00 N ATOM 231 C2 DT A 8 1.012 4.922 -6.120 1.00 0.00 C ATOM 232 O2 DT A 8 0.848 4.972 -7.336 1.00 0.00 O ATOM 233 N3 DT A 8 0.097 5.506 -5.260 1.00 0.00 N ATOM 234 C4 DT A 8 0.182 5.520 -3.877 1.00 0.00 C ATOM 235 O4 DT A 8 -0.700 6.070 -3.222 1.00 0.00 O ATOM 236 C5 DT A 8 1.358 4.856 -3.332 1.00 0.00 C ATOM 237 C7 DT A 8 1.456 4.693 -1.827 1.00 0.00 C ATOM 238 C6 DT A 8 2.280 4.292 -4.160 1.00 0.00 C ATOM 0 H5' DT A 8 5.648 1.259 -4.744 1.00 0.00 H new ATOM 0 H5'' DT A 8 6.876 1.492 -5.973 1.00 0.00 H new ATOM 0 H4' DT A 8 4.897 1.474 -7.202 1.00 0.00 H new ATOM 0 H3' DT A 8 6.291 3.896 -7.203 1.00 0.00 H new ATOM 0 H2' DT A 8 4.621 5.060 -5.784 1.00 0.00 H new ATOM 0 H2'' DT A 8 3.972 5.367 -7.383 1.00 0.00 H new ATOM 0 H1' DT A 8 2.518 3.339 -7.274 1.00 0.00 H new ATOM 0 H3 DT A 8 -0.710 5.966 -5.681 1.00 0.00 H new ATOM 0 H71 DT A 8 2.024 3.792 -1.595 1.00 0.00 H new ATOM 0 H72 DT A 8 1.960 5.560 -1.399 1.00 0.00 H new ATOM 0 H73 DT A 8 0.455 4.610 -1.404 1.00 0.00 H new ATOM 0 H6 DT A 8 3.162 3.833 -3.739 1.00 0.00 H new TER 251 DT A 8 ATOM 252 P DC B 1 -4.882 -5.496 -9.441 1.00 0.00 P ATOM 253 OP1 DC B 1 -5.375 -6.828 -9.023 1.00 0.00 O ATOM 254 OP2 DC B 1 -4.142 -5.354 -10.714 1.00 0.00 O ATOM 255 O5' DC B 1 -6.139 -4.481 -9.450 1.00 0.00 O ATOM 256 C5' DC B 1 -6.195 -3.330 -10.273 1.00 0.00 C ATOM 257 C4' DC B 1 -7.607 -2.728 -10.213 1.00 0.00 C ATOM 258 O4' DC B 1 -8.549 -3.773 -10.387 1.00 0.00 O ATOM 259 C3' DC B 1 -7.923 -2.017 -8.890 1.00 0.00 C ATOM 260 O3' DC B 1 -8.548 -0.768 -9.126 1.00 0.00 O ATOM 261 C2' DC B 1 -8.951 -2.904 -8.206 1.00 0.00 C ATOM 262 C1' DC B 1 -9.521 -3.733 -9.358 1.00 0.00 C ATOM 263 N1 DC B 1 -9.835 -5.123 -8.931 1.00 0.00 N ATOM 264 C2 DC B 1 -11.088 -5.668 -9.226 1.00 0.00 C ATOM 265 O2 DC B 1 -11.953 -5.008 -9.799 1.00 0.00 O ATOM 266 N3 DC B 1 -11.338 -6.959 -8.861 1.00 0.00 N ATOM 267 C4 DC B 1 -10.406 -7.699 -8.243 1.00 0.00 C ATOM 268 N4 DC B 1 -10.706 -8.959 -7.908 1.00 0.00 N ATOM 269 C5 DC B 1 -9.107 -7.165 -7.942 1.00 0.00 C ATOM 270 C6 DC B 1 -8.874 -5.883 -8.307 1.00 0.00 C ATOM 0 H5' DC B 1 -5.943 -3.592 -11.301 1.00 0.00 H new ATOM 0 H5'' DC B 1 -5.460 -2.596 -9.941 1.00 0.00 H new ATOM 0 H4' DC B 1 -7.662 -1.978 -11.002 1.00 0.00 H new ATOM 0 H3' DC B 1 -7.013 -1.852 -8.312 1.00 0.00 H new ATOM 0 H2' DC B 1 -8.494 -3.535 -7.444 1.00 0.00 H new ATOM 0 H2'' DC B 1 -9.725 -2.316 -7.712 1.00 0.00 H new ATOM 0 H1' DC B 1 -10.448 -3.273 -9.701 1.00 0.00 H new ATOM 0 H41 DC B 1 -10.013 -9.540 -7.437 1.00 0.00 H new ATOM 0 H42 DC B 1 -11.628 -9.338 -8.123 1.00 0.00 H new ATOM 0 H5 DC B 1 -8.352 -7.759 -7.448 1.00 0.00 H new ATOM 0 H6 DC B 1 -7.908 -5.445 -8.103 1.00 0.00 H new ATOM 282 P DC B 2 -7.735 0.626 -9.126 1.00 0.00 P ATOM 283 OP1 DC B 2 -8.667 1.694 -9.556 1.00 0.00 O ATOM 284 OP2 DC B 2 -6.463 0.424 -9.854 1.00 0.00 O ATOM 285 O5' DC B 2 -7.391 0.863 -7.566 1.00 0.00 O ATOM 286 C5' DC B 2 -8.339 0.625 -6.546 1.00 0.00 C ATOM 287 C4' DC B 2 -7.815 0.860 -5.119 1.00 0.00 C ATOM 288 O4' DC B 2 -6.760 0.037 -4.678 1.00 0.00 O ATOM 289 C3' DC B 2 -7.556 2.301 -4.671 1.00 0.00 C ATOM 290 O3' DC B 2 -8.336 2.507 -3.503 1.00 0.00 O ATOM 291 C2' DC B 2 -6.060 2.287 -4.411 1.00 0.00 C ATOM 292 C1' DC B 2 -5.768 0.836 -4.053 1.00 0.00 C ATOM 293 N1 DC B 2 -4.501 0.452 -4.677 1.00 0.00 N ATOM 294 C2 DC B 2 -3.425 0.099 -3.887 1.00 0.00 C ATOM 295 O2 DC B 2 -3.468 0.277 -2.676 1.00 0.00 O ATOM 296 N3 DC B 2 -2.340 -0.452 -4.490 1.00 0.00 N ATOM 297 C4 DC B 2 -2.295 -0.596 -5.822 1.00 0.00 C ATOM 298 N4 DC B 2 -1.258 -1.256 -6.338 1.00 0.00 N ATOM 299 C5 DC B 2 -3.388 -0.179 -6.662 1.00 0.00 C ATOM 300 C6 DC B 2 -4.471 0.325 -6.029 1.00 0.00 C ATOM 0 H5' DC B 2 -8.689 -0.404 -6.626 1.00 0.00 H new ATOM 0 H5'' DC B 2 -9.202 1.269 -6.713 1.00 0.00 H new ATOM 0 H4' DC B 2 -8.725 0.538 -4.612 1.00 0.00 H new ATOM 0 H3' DC B 2 -7.820 3.098 -5.366 1.00 0.00 H new ATOM 0 H2' DC B 2 -5.498 2.603 -5.290 1.00 0.00 H new ATOM 0 H2'' DC B 2 -5.789 2.962 -3.599 1.00 0.00 H new ATOM 0 H1' DC B 2 -5.743 0.711 -2.970 1.00 0.00 H new ATOM 0 H41 DC B 2 -1.188 -1.387 -7.347 1.00 0.00 H new ATOM 0 H42 DC B 2 -0.535 -1.630 -5.724 1.00 0.00 H new ATOM 0 H5 DC B 2 -3.345 -0.264 -7.738 1.00 0.00 H new ATOM 0 H6 DC B 2 -5.328 0.632 -6.609 1.00 0.00 H new ATOM 312 P DG B 3 -8.339 3.881 -2.661 1.00 0.00 P ATOM 313 OP1 DG B 3 -9.561 3.909 -1.827 1.00 0.00 O ATOM 314 OP2 DG B 3 -8.054 5.000 -3.587 1.00 0.00 O ATOM 315 O5' DG B 3 -7.070 3.694 -1.690 1.00 0.00 O ATOM 316 C5' DG B 3 -7.008 2.673 -0.707 1.00 0.00 C ATOM 317 C4' DG B 3 -5.621 2.717 -0.057 1.00 0.00 C ATOM 318 O4' DG B 3 -4.700 2.450 -1.080 1.00 0.00 O ATOM 319 C3' DG B 3 -5.296 4.112 0.475 1.00 0.00 C ATOM 320 O3' DG B 3 -5.340 4.137 1.885 1.00 0.00 O ATOM 321 C2' DG B 3 -3.844 4.271 0.066 1.00 0.00 C ATOM 322 C1' DG B 3 -3.475 2.995 -0.680 1.00 0.00 C ATOM 323 N9 DG B 3 -2.699 3.219 -1.915 1.00 0.00 N ATOM 324 C8 DG B 3 -3.168 3.809 -3.052 1.00 0.00 C ATOM 325 N7 DG B 3 -2.478 3.542 -4.125 1.00 0.00 N ATOM 326 C5 DG B 3 -1.432 2.753 -3.653 1.00 0.00 C ATOM 327 C6 DG B 3 -0.359 2.118 -4.354 1.00 0.00 C ATOM 328 O6 DG B 3 -0.172 2.065 -5.566 1.00 0.00 O ATOM 329 N1 DG B 3 0.547 1.499 -3.494 1.00 0.00 N ATOM 330 C2 DG B 3 0.392 1.434 -2.128 1.00 0.00 C ATOM 331 N2 DG B 3 1.387 0.849 -1.460 1.00 0.00 N ATOM 332 N3 DG B 3 -0.655 1.959 -1.474 1.00 0.00 N ATOM 333 C4 DG B 3 -1.525 2.610 -2.287 1.00 0.00 C ATOM 0 H5' DG B 3 -7.184 1.698 -1.161 1.00 0.00 H new ATOM 0 H5'' DG B 3 -7.784 2.821 0.044 1.00 0.00 H new ATOM 0 H4' DG B 3 -5.585 2.006 0.768 1.00 0.00 H new ATOM 0 H3' DG B 3 -5.983 4.874 0.107 1.00 0.00 H new ATOM 0 H2' DG B 3 -3.711 5.147 -0.570 1.00 0.00 H new ATOM 0 H2'' DG B 3 -3.206 4.411 0.939 1.00 0.00 H new ATOM 0 H1' DG B 3 -2.863 2.375 -0.025 1.00 0.00 H new ATOM 0 H8 DG B 3 -4.040 4.446 -3.062 1.00 0.00 H new ATOM 0 H1 DG B 3 1.376 1.068 -3.902 1.00 0.00 H new ATOM 0 H21 DG B 3 1.340 0.766 -0.445 1.00 0.00 H new ATOM 0 H22 DG B 3 2.195 0.485 -1.965 1.00 0.00 H new ATOM 345 P DT B 4 -6.419 5.032 2.673 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.657 4.245 2.860 1.00 0.00 O ATOM 347 OP2 DT B 4 -6.475 6.374 2.050 1.00 0.00 O ATOM 348 O5' DT B 4 -5.664 5.172 4.079 1.00 0.00 O ATOM 349 C5' DT B 4 -5.542 4.073 4.954 1.00 0.00 C ATOM 350 C4' DT B 4 -4.356 4.289 5.892 1.00 0.00 C ATOM 351 O4' DT B 4 -3.150 4.167 5.155 1.00 0.00 O ATOM 352 C3' DT B 4 -4.354 5.684 6.527 1.00 0.00 C ATOM 353 O3' DT B 4 -4.064 5.559 7.908 1.00 0.00 O ATOM 354 C2' DT B 4 -3.189 6.365 5.830 1.00 0.00 C ATOM 355 C1' DT B 4 -2.279 5.173 5.624 1.00 0.00 C ATOM 356 N1 DT B 4 -1.199 5.530 4.684 1.00 0.00 N ATOM 357 C2 DT B 4 0.000 5.993 5.223 1.00 0.00 C ATOM 358 O2 DT B 4 0.181 6.150 6.427 1.00 0.00 O ATOM 359 N3 DT B 4 1.008 6.276 4.316 1.00 0.00 N ATOM 360 C4 DT B 4 0.915 6.144 2.941 1.00 0.00 C ATOM 361 O4 DT B 4 1.896 6.396 2.246 1.00 0.00 O ATOM 362 C5 DT B 4 -0.389 5.706 2.455 1.00 0.00 C ATOM 363 C7 DT B 4 -0.552 5.458 0.968 1.00 0.00 C ATOM 364 C6 DT B 4 -1.398 5.431 3.331 1.00 0.00 C ATOM 0 H5' DT B 4 -5.403 3.155 4.383 1.00 0.00 H new ATOM 0 H5'' DT B 4 -6.458 3.953 5.532 1.00 0.00 H new ATOM 0 H4' DT B 4 -4.438 3.541 6.680 1.00 0.00 H new ATOM 0 H3' DT B 4 -5.298 6.219 6.428 1.00 0.00 H new ATOM 0 H2' DT B 4 -3.481 6.835 4.891 1.00 0.00 H new ATOM 0 H2'' DT B 4 -2.730 7.140 6.444 1.00 0.00 H new ATOM 0 H1' DT B 4 -1.757 4.833 6.518 1.00 0.00 H new ATOM 0 H3 DT B 4 1.895 6.610 4.693 1.00 0.00 H new ATOM 0 H71 DT B 4 0.120 6.113 0.414 1.00 0.00 H new ATOM 0 H72 DT B 4 -0.312 4.419 0.744 1.00 0.00 H new ATOM 0 H73 DT B 4 -1.582 5.663 0.676 1.00 0.00 H new ATOM 0 H6 DT B 4 -2.365 5.132 2.954 1.00 0.00 H new ATOM 377 P DC B 5 -5.023 6.182 9.040 1.00 0.00 P ATOM 378 OP1 DC B 5 -5.369 7.563 8.637 1.00 0.00 O ATOM 379 OP2 DC B 5 -4.395 5.941 10.358 1.00 0.00 O ATOM 380 O5' DC B 5 -6.359 5.281 8.928 1.00 0.00 O ATOM 381 C5' DC B 5 -6.526 4.059 9.621 1.00 0.00 C ATOM 382 C4' DC B 5 -8.003 3.641 9.553 1.00 0.00 C ATOM 383 O4' DC B 5 -8.796 4.731 9.991 1.00 0.00 O ATOM 384 C3' DC B 5 -8.461 3.263 8.139 1.00 0.00 C ATOM 385 O3' DC B 5 -9.278 2.104 8.151 1.00 0.00 O ATOM 386 C2' DC B 5 -9.360 4.406 7.703 1.00 0.00 C ATOM 387 C1' DC B 5 -9.798 5.018 9.035 1.00 0.00 C ATOM 388 N1 DC B 5 -9.959 6.494 8.937 1.00 0.00 N ATOM 389 C2 DC B 5 -11.117 7.097 9.436 1.00 0.00 C ATOM 390 O2 DC B 5 -12.034 6.426 9.907 1.00 0.00 O ATOM 391 N3 DC B 5 -11.210 8.456 9.393 1.00 0.00 N ATOM 392 C4 DC B 5 -10.217 9.206 8.894 1.00 0.00 C ATOM 393 N4 DC B 5 -10.364 10.536 8.878 1.00 0.00 N ATOM 394 C5 DC B 5 -9.013 8.609 8.388 1.00 0.00 C ATOM 395 C6 DC B 5 -8.934 7.259 8.436 1.00 0.00 C ATOM 0 H5' DC B 5 -6.214 4.170 10.659 1.00 0.00 H new ATOM 0 H5'' DC B 5 -5.896 3.287 9.179 1.00 0.00 H new ATOM 0 H4' DC B 5 -8.117 2.760 10.184 1.00 0.00 H new ATOM 0 H3' DC B 5 -7.597 3.082 7.500 1.00 0.00 H new ATOM 0 H2' DC B 5 -8.827 5.126 7.083 1.00 0.00 H new ATOM 0 H2'' DC B 5 -10.211 4.052 7.121 1.00 0.00 H new ATOM 0 H1' DC B 5 -10.762 4.595 9.318 1.00 0.00 H new ATOM 0 H41 DC B 5 -9.622 11.127 8.503 1.00 0.00 H new ATOM 0 H42 DC B 5 -11.218 10.959 9.241 1.00 0.00 H new ATOM 0 H5 DC B 5 -8.209 9.209 7.988 1.00 0.00 H new ATOM 0 H6 DC B 5 -8.042 6.771 8.071 1.00 0.00 H new ATOM 407 P DC B 6 -8.688 0.605 8.052 1.00 0.00 P ATOM 408 OP1 DC B 6 -9.800 -0.333 8.320 1.00 0.00 O ATOM 409 OP2 DC B 6 -7.455 0.533 8.867 1.00 0.00 O ATOM 410 O5' DC B 6 -8.271 0.445 6.502 1.00 0.00 O ATOM 411 C5' DC B 6 -8.943 1.124 5.461 1.00 0.00 C ATOM 412 C4' DC B 6 -8.375 0.828 4.062 1.00 0.00 C ATOM 413 O4' DC B 6 -7.123 1.391 3.738 1.00 0.00 O ATOM 414 C3' DC B 6 -8.400 -0.628 3.597 1.00 0.00 C ATOM 415 O3' DC B 6 -9.047 -0.647 2.334 1.00 0.00 O ATOM 416 C2' DC B 6 -6.917 -0.959 3.534 1.00 0.00 C ATOM 417 C1' DC B 6 -6.256 0.384 3.245 1.00 0.00 C ATOM 418 N1 DC B 6 -5.025 0.496 4.031 1.00 0.00 N ATOM 419 C2 DC B 6 -3.811 0.664 3.392 1.00 0.00 C ATOM 420 O2 DC B 6 -3.723 0.514 2.180 1.00 0.00 O ATOM 421 N3 DC B 6 -2.732 1.004 4.145 1.00 0.00 N ATOM 422 C4 DC B 6 -2.833 1.124 5.475 1.00 0.00 C ATOM 423 N4 DC B 6 -1.771 1.583 6.138 1.00 0.00 N ATOM 424 C5 DC B 6 -4.083 0.912 6.156 1.00 0.00 C ATOM 425 C6 DC B 6 -5.146 0.619 5.377 1.00 0.00 C ATOM 0 H5' DC B 6 -8.890 2.197 5.645 1.00 0.00 H new ATOM 0 H5'' DC B 6 -9.998 0.849 5.481 1.00 0.00 H new ATOM 0 H4' DC B 6 -9.132 1.372 3.496 1.00 0.00 H new ATOM 0 H3' DC B 6 -8.933 -1.346 4.221 1.00 0.00 H new ATOM 0 H2' DC B 6 -6.562 -1.386 4.472 1.00 0.00 H new ATOM 0 H2'' DC B 6 -6.703 -1.687 2.752 1.00 0.00 H new ATOM 0 H1' DC B 6 -6.052 0.477 2.178 1.00 0.00 H new ATOM 0 H41 DC B 6 -1.809 1.688 7.152 1.00 0.00 H new ATOM 0 H42 DC B 6 -0.921 1.829 5.631 1.00 0.00 H new ATOM 0 H5 DC B 6 -4.166 0.983 7.230 1.00 0.00 H new ATOM 0 H6 DC B 6 -6.114 0.479 5.835 1.00 0.00 H new ATOM 437 P DG B 7 -9.267 -1.988 1.468 1.00 0.00 P ATOM 438 OP1 DG B 7 -10.324 -1.725 0.469 1.00 0.00 O ATOM 439 OP2 DG B 7 -9.404 -3.131 2.400 1.00 0.00 O ATOM 440 O5' DG B 7 -7.866 -2.136 0.692 1.00 0.00 O ATOM 441 C5' DG B 7 -7.429 -1.189 -0.267 1.00 0.00 C ATOM 442 C4' DG B 7 -6.020 -1.574 -0.729 1.00 0.00 C ATOM 443 O4' DG B 7 -5.180 -1.470 0.390 1.00 0.00 O ATOM 444 C3' DG B 7 -5.958 -3.031 -1.188 1.00 0.00 C ATOM 445 O3' DG B 7 -5.778 -3.098 -2.581 1.00 0.00 O ATOM 446 C2' DG B 7 -4.690 -3.545 -0.542 1.00 0.00 C ATOM 447 C1' DG B 7 -4.103 -2.345 0.186 1.00 0.00 C ATOM 448 N9 DG B 7 -3.592 -2.666 1.530 1.00 0.00 N ATOM 449 C8 DG B 7 -4.334 -3.099 2.591 1.00 0.00 C ATOM 450 N7 DG B 7 -3.768 -2.928 3.753 1.00 0.00 N ATOM 451 C5 DG B 7 -2.528 -2.382 3.433 1.00 0.00 C ATOM 452 C6 DG B 7 -1.469 -1.925 4.278 1.00 0.00 C ATOM 453 O6 DG B 7 -1.459 -1.842 5.502 1.00 0.00 O ATOM 454 N1 DG B 7 -0.348 -1.526 3.554 1.00 0.00 N ATOM 455 C2 DG B 7 -0.292 -1.492 2.180 1.00 0.00 C ATOM 456 N2 DG B 7 0.872 -1.112 1.665 1.00 0.00 N ATOM 457 N3 DG B 7 -1.310 -1.836 1.382 1.00 0.00 N ATOM 458 C4 DG B 7 -2.391 -2.280 2.068 1.00 0.00 C ATOM 0 H5' DG B 7 -7.425 -0.188 0.165 1.00 0.00 H new ATOM 0 H5'' DG B 7 -8.113 -1.167 -1.116 1.00 0.00 H new ATOM 0 H4' DG B 7 -5.730 -0.925 -1.555 1.00 0.00 H new ATOM 0 H3' DG B 7 -6.862 -3.583 -0.931 1.00 0.00 H new ATOM 0 H2' DG B 7 -4.902 -4.361 0.149 1.00 0.00 H new ATOM 0 H2'' DG B 7 -3.996 -3.932 -1.288 1.00 0.00 H new ATOM 0 H1' DG B 7 -3.277 -1.953 -0.407 1.00 0.00 H new ATOM 0 H8 DG B 7 -5.310 -3.547 2.477 1.00 0.00 H new ATOM 0 H1 DG B 7 0.482 -1.242 4.074 1.00 0.00 H new ATOM 0 H21 DG B 7 0.990 -1.062 0.653 1.00 0.00 H new ATOM 0 H22 DG B 7 1.648 -0.870 2.282 1.00 0.00 H new ATOM 470 P DT B 8 -6.923 -3.685 -3.544 1.00 0.00 P ATOM 471 OP1 DT B 8 -7.872 -2.605 -3.892 1.00 0.00 O ATOM 472 OP2 DT B 8 -7.414 -4.963 -2.985 1.00 0.00 O ATOM 473 O5' DT B 8 -6.003 -4.015 -4.809 1.00 0.00 O ATOM 474 C5' DT B 8 -5.450 -2.986 -5.599 1.00 0.00 C ATOM 475 C4' DT B 8 -4.210 -3.500 -6.329 1.00 0.00 C ATOM 476 O4' DT B 8 -3.124 -3.578 -5.421 1.00 0.00 O ATOM 477 C3' DT B 8 -4.408 -4.905 -6.911 1.00 0.00 C ATOM 478 O3' DT B 8 -3.962 -4.912 -8.256 1.00 0.00 O ATOM 479 C2' DT B 8 -3.498 -5.757 -6.044 1.00 0.00 C ATOM 480 C1' DT B 8 -2.409 -4.752 -5.733 1.00 0.00 C ATOM 481 N1 DT B 8 -1.562 -5.263 -4.635 1.00 0.00 N ATOM 482 C2 DT B 8 -0.419 -5.980 -4.978 1.00 0.00 C ATOM 483 O2 DT B 8 -0.117 -6.249 -6.139 1.00 0.00 O ATOM 484 N3 DT B 8 0.384 -6.390 -3.929 1.00 0.00 N ATOM 485 C4 DT B 8 0.146 -6.144 -2.587 1.00 0.00 C ATOM 486 O4 DT B 8 0.949 -6.549 -1.749 1.00 0.00 O ATOM 487 C5 DT B 8 -1.080 -5.408 -2.308 1.00 0.00 C ATOM 488 C7 DT B 8 -1.325 -4.967 -0.872 1.00 0.00 C ATOM 489 C6 DT B 8 -1.900 -5.016 -3.327 1.00 0.00 C ATOM 0 H5' DT B 8 -5.186 -2.135 -4.971 1.00 0.00 H new ATOM 0 H5'' DT B 8 -6.187 -2.633 -6.320 1.00 0.00 H new ATOM 0 H4' DT B 8 -4.018 -2.801 -7.143 1.00 0.00 H new ATOM 0 H3' DT B 8 -5.441 -5.252 -6.912 1.00 0.00 H new ATOM 0 H2' DT B 8 -3.998 -6.120 -5.146 1.00 0.00 H new ATOM 0 H2'' DT B 8 -3.119 -6.632 -6.573 1.00 0.00 H new ATOM 0 H1' DT B 8 -1.709 -4.563 -6.546 1.00 0.00 H new ATOM 0 H3 DT B 8 1.224 -6.919 -4.164 1.00 0.00 H new ATOM 0 H71 DT B 8 -1.909 -4.047 -0.869 1.00 0.00 H new ATOM 0 H72 DT B 8 -1.872 -5.746 -0.340 1.00 0.00 H new ATOM 0 H73 DT B 8 -0.370 -4.792 -0.377 1.00 0.00 H new ATOM 0 H6 DT B 8 -2.825 -4.506 -3.102 1.00 0.00 H new TER 502 DT B 8