USER MOD reduce.3.24.130724 H: found=0, std=0, add=140, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 137 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot -21:sc= 0.177 USER MOD Single : A 4 DT C7 :methyl -30:sc= -3.91! (180deg=-6!) USER MOD Single : A 6 DA O3' : rot 180:sc= 0 USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT O5' : rot -16:sc= 0.183 USER MOD Single : B 4 DT C7 :methyl -30:sc= -3.63! (180deg=-6.2!) USER MOD Single : B 6 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 1.921 -6.390 -4.648 1.00 0.00 O ATOM 2 C5' DT A 1 2.421 -7.375 -3.734 1.00 0.00 C ATOM 3 C4' DT A 1 3.015 -6.739 -2.449 1.00 0.00 C ATOM 4 O4' DT A 1 2.321 -5.519 -2.125 1.00 0.00 O ATOM 5 C3' DT A 1 3.095 -7.631 -1.182 1.00 0.00 C ATOM 6 O3' DT A 1 4.506 -7.715 -0.813 1.00 0.00 O ATOM 7 C2' DT A 1 2.208 -6.837 -0.241 1.00 0.00 C ATOM 8 C1' DT A 1 2.217 -5.392 -0.715 1.00 0.00 C ATOM 9 N1 DT A 1 1.073 -4.504 -0.420 1.00 0.00 N ATOM 10 C2 DT A 1 1.320 -3.155 -0.270 1.00 0.00 C ATOM 11 O2 DT A 1 2.432 -2.658 -0.224 1.00 0.00 O ATOM 12 N3 DT A 1 0.197 -2.352 -0.230 1.00 0.00 N ATOM 13 C4 DT A 1 -1.112 -2.765 -0.320 1.00 0.00 C ATOM 14 O4 DT A 1 -2.050 -1.990 -0.285 1.00 0.00 O ATOM 15 C5 DT A 1 -1.273 -4.191 -0.470 1.00 0.00 C ATOM 16 C7 DT A 1 -2.571 -4.909 -0.724 1.00 0.00 C ATOM 17 C6 DT A 1 -0.201 -5.006 -0.520 1.00 0.00 C ATOM 0 H5' DT A 1 3.187 -7.971 -4.229 1.00 0.00 H new ATOM 0 H5'' DT A 1 1.615 -8.056 -3.460 1.00 0.00 H new ATOM 0 H4' DT A 1 4.055 -6.563 -2.722 1.00 0.00 H new ATOM 0 H3' DT A 1 2.766 -8.669 -1.238 1.00 0.00 H new ATOM 0 H2' DT A 1 1.193 -7.235 -0.243 1.00 0.00 H new ATOM 0 H2'' DT A 1 2.575 -6.907 0.783 1.00 0.00 H new ATOM 0 HO5' DT A 1 1.745 -5.555 -4.165 1.00 0.00 H new ATOM 0 H1' DT A 1 3.018 -4.895 -0.169 1.00 0.00 H new ATOM 0 H3 DT A 1 0.354 -1.350 -0.123 1.00 0.00 H new ATOM 0 H71 DT A 1 -2.379 -5.816 -1.297 1.00 0.00 H new ATOM 0 H72 DT A 1 -3.033 -5.172 0.227 1.00 0.00 H new ATOM 0 H73 DT A 1 -3.242 -4.260 -1.286 1.00 0.00 H new ATOM 0 H6 DT A 1 -0.346 -6.069 -0.640 1.00 0.00 H new ATOM 30 P DG A 2 4.945 -8.194 0.684 1.00 0.00 P ATOM 31 OP1 DG A 2 6.229 -8.927 0.668 1.00 0.00 O ATOM 32 OP2 DG A 2 3.898 -9.005 1.345 1.00 0.00 O ATOM 33 O5' DG A 2 5.087 -6.693 1.336 1.00 0.00 O ATOM 34 C5' DG A 2 6.218 -5.901 0.875 1.00 0.00 C ATOM 35 C4' DG A 2 6.364 -4.488 1.483 1.00 0.00 C ATOM 36 O4' DG A 2 5.174 -3.697 1.434 1.00 0.00 O ATOM 37 C3' DG A 2 6.800 -4.596 2.940 1.00 0.00 C ATOM 38 O3' DG A 2 8.075 -3.932 3.141 1.00 0.00 O ATOM 39 C2' DG A 2 5.624 -4.079 3.733 1.00 0.00 C ATOM 40 C1' DG A 2 4.941 -3.170 2.744 1.00 0.00 C ATOM 41 N9 DG A 2 3.515 -3.013 2.960 1.00 0.00 N ATOM 42 C8 DG A 2 2.611 -4.052 2.880 1.00 0.00 C ATOM 43 N7 DG A 2 1.360 -3.677 2.960 1.00 0.00 N ATOM 44 C5 DG A 2 1.431 -2.290 3.100 1.00 0.00 C ATOM 45 C6 DG A 2 0.399 -1.331 3.230 1.00 0.00 C ATOM 46 O6 DG A 2 -0.791 -1.589 3.223 1.00 0.00 O ATOM 47 N1 DG A 2 0.919 -0.031 3.350 1.00 0.00 N ATOM 48 C2 DG A 2 2.262 0.290 3.350 1.00 0.00 C ATOM 49 N2 DG A 2 2.601 1.624 3.438 1.00 0.00 N ATOM 50 N3 DG A 2 3.233 -0.611 3.220 1.00 0.00 N ATOM 51 C4 DG A 2 2.751 -1.877 3.100 1.00 0.00 C ATOM 0 H5' DG A 2 6.145 -5.801 -0.208 1.00 0.00 H new ATOM 0 H5'' DG A 2 7.132 -6.458 1.083 1.00 0.00 H new ATOM 0 H4' DG A 2 7.110 -3.985 0.868 1.00 0.00 H new ATOM 0 H3' DG A 2 7.017 -5.609 3.279 1.00 0.00 H new ATOM 0 H2' DG A 2 4.970 -4.886 4.062 1.00 0.00 H new ATOM 0 H2'' DG A 2 5.941 -3.542 4.627 1.00 0.00 H new ATOM 0 H1' DG A 2 5.364 -2.174 2.871 1.00 0.00 H new ATOM 0 H8 DG A 2 2.909 -5.083 2.762 1.00 0.00 H new ATOM 0 H1 DG A 2 0.252 0.735 3.444 1.00 0.00 H new ATOM 0 H21 DG A 2 3.582 1.902 3.441 1.00 0.00 H new ATOM 0 H22 DG A 2 1.870 2.333 3.500 1.00 0.00 H new ATOM 63 P DA A 3 8.714 -3.908 4.639 1.00 0.00 P ATOM 64 OP1 DA A 3 10.186 -3.764 4.597 1.00 0.00 O ATOM 65 OP2 DA A 3 8.333 -5.093 5.437 1.00 0.00 O ATOM 66 O5' DA A 3 7.980 -2.545 5.172 1.00 0.00 O ATOM 67 C5' DA A 3 8.351 -1.327 4.481 1.00 0.00 C ATOM 68 C4' DA A 3 7.795 -0.021 4.977 1.00 0.00 C ATOM 69 O4' DA A 3 6.383 0.062 4.826 1.00 0.00 O ATOM 70 C3' DA A 3 8.257 0.207 6.402 1.00 0.00 C ATOM 71 O3' DA A 3 8.904 1.502 6.538 1.00 0.00 O ATOM 72 C2' DA A 3 6.965 0.003 7.097 1.00 0.00 C ATOM 73 C1' DA A 3 5.882 0.351 6.110 1.00 0.00 C ATOM 74 N9 DA A 3 4.615 -0.371 6.340 1.00 0.00 N ATOM 75 C8 DA A 3 4.519 -1.735 6.260 1.00 0.00 C ATOM 76 N7 DA A 3 3.298 -2.174 6.330 1.00 0.00 N ATOM 77 C5 DA A 3 2.540 -1.026 6.480 1.00 0.00 C ATOM 78 C6 DA A 3 1.152 -0.813 6.610 1.00 0.00 C ATOM 79 N6 DA A 3 0.280 -1.836 6.617 1.00 0.00 N ATOM 80 N1 DA A 3 0.730 0.454 6.730 1.00 0.00 N ATOM 81 C2 DA A 3 1.628 1.435 6.720 1.00 0.00 C ATOM 82 N3 DA A 3 2.936 1.369 6.600 1.00 0.00 N ATOM 83 C4 DA A 3 3.329 0.087 6.480 1.00 0.00 C ATOM 0 H5' DA A 3 8.058 -1.436 3.437 1.00 0.00 H new ATOM 0 H5'' DA A 3 9.438 -1.253 4.501 1.00 0.00 H new ATOM 0 H4' DA A 3 8.185 0.788 4.359 1.00 0.00 H new ATOM 0 H3' DA A 3 9.039 -0.436 6.805 1.00 0.00 H new ATOM 0 H2' DA A 3 6.865 -1.029 7.433 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.898 0.634 7.983 1.00 0.00 H new ATOM 0 H1' DA A 3 5.635 1.406 6.225 1.00 0.00 H new ATOM 0 H8 DA A 3 5.376 -2.383 6.149 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.719 -1.654 6.712 1.00 0.00 H new ATOM 0 H62 DA A 3 0.617 -2.794 6.527 1.00 0.00 H new ATOM 0 H2 DA A 3 1.224 2.431 6.826 1.00 0.00 H new ATOM 95 P DT A 4 9.398 1.982 8.015 1.00 0.00 P ATOM 96 OP1 DT A 4 10.562 2.892 7.932 1.00 0.00 O ATOM 97 OP2 DT A 4 9.693 0.845 8.915 1.00 0.00 O ATOM 98 O5' DT A 4 8.037 2.770 8.456 1.00 0.00 O ATOM 99 C5' DT A 4 7.652 3.924 7.664 1.00 0.00 C ATOM 100 C4' DT A 4 6.328 4.541 8.119 1.00 0.00 C ATOM 101 O4' DT A 4 5.262 3.578 8.034 1.00 0.00 O ATOM 102 C3' DT A 4 6.372 5.206 9.492 1.00 0.00 C ATOM 103 O3' DT A 4 5.856 6.564 9.378 1.00 0.00 O ATOM 104 C2' DT A 4 5.485 4.255 10.231 1.00 0.00 C ATOM 105 C1' DT A 4 4.521 3.683 9.241 1.00 0.00 C ATOM 106 N1 DT A 4 3.952 2.412 9.720 1.00 0.00 N ATOM 107 C2 DT A 4 2.593 2.230 9.870 1.00 0.00 C ATOM 108 O2 DT A 4 1.784 3.139 9.910 1.00 0.00 O ATOM 109 N3 DT A 4 2.176 0.915 9.910 1.00 0.00 N ATOM 110 C4 DT A 4 2.973 -0.203 9.820 1.00 0.00 C ATOM 111 O4 DT A 4 2.525 -1.334 9.869 1.00 0.00 O ATOM 112 C5 DT A 4 4.379 0.084 9.670 1.00 0.00 C ATOM 113 C7 DT A 4 5.400 -1.010 9.665 1.00 0.00 C ATOM 114 C6 DT A 4 4.823 1.356 9.620 1.00 0.00 C ATOM 0 H5' DT A 4 7.570 3.630 6.618 1.00 0.00 H new ATOM 0 H5'' DT A 4 8.438 4.677 7.722 1.00 0.00 H new ATOM 0 H4' DT A 4 6.131 5.357 7.423 1.00 0.00 H new ATOM 0 H3' DT A 4 7.341 5.345 9.972 1.00 0.00 H new ATOM 0 H2' DT A 4 6.073 3.464 10.696 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.953 4.769 11.032 1.00 0.00 H new ATOM 0 H1' DT A 4 3.642 4.308 9.086 1.00 0.00 H new ATOM 0 H3 DT A 4 1.174 0.756 10.017 1.00 0.00 H new ATOM 0 H71 DT A 4 5.049 -1.838 10.280 1.00 0.00 H new ATOM 0 H72 DT A 4 5.556 -1.357 8.644 1.00 0.00 H new ATOM 0 H73 DT A 4 6.340 -0.632 10.067 1.00 0.00 H new ATOM 0 H6 DT A 4 5.879 1.547 9.500 1.00 0.00 H new ATOM 127 P DC A 5 6.039 7.563 10.645 1.00 0.00 P ATOM 128 OP1 DC A 5 6.135 8.980 10.228 1.00 0.00 O ATOM 129 OP2 DC A 5 7.183 7.198 11.510 1.00 0.00 O ATOM 130 O5' DC A 5 4.609 7.207 11.332 1.00 0.00 O ATOM 131 C5' DC A 5 3.422 7.816 10.758 1.00 0.00 C ATOM 132 C4' DC A 5 2.201 7.545 11.665 1.00 0.00 C ATOM 133 O4' DC A 5 1.774 6.165 11.619 1.00 0.00 O ATOM 134 C3' DC A 5 2.430 8.013 13.107 1.00 0.00 C ATOM 135 O3' DC A 5 1.371 8.918 13.545 1.00 0.00 O ATOM 136 C2' DC A 5 2.405 6.667 13.779 1.00 0.00 C ATOM 137 C1' DC A 5 1.517 5.727 12.954 1.00 0.00 C ATOM 138 N1 DC A 5 1.779 4.274 13.100 1.00 0.00 N ATOM 139 C2 DC A 5 0.788 3.307 13.250 1.00 0.00 C ATOM 140 O2 DC A 5 -0.398 3.601 13.296 1.00 0.00 O ATOM 141 N3 DC A 5 1.152 2.003 13.300 1.00 0.00 N ATOM 142 C4 DC A 5 2.437 1.644 13.200 1.00 0.00 C ATOM 143 N4 DC A 5 2.801 0.290 13.283 1.00 0.00 N ATOM 144 C5 DC A 5 3.474 2.618 13.050 1.00 0.00 C ATOM 145 C6 DC A 5 3.086 3.921 13.000 1.00 0.00 C ATOM 0 H5' DC A 5 3.242 7.413 9.761 1.00 0.00 H new ATOM 0 H5'' DC A 5 3.572 8.890 10.646 1.00 0.00 H new ATOM 0 H4' DC A 5 1.387 8.145 11.258 1.00 0.00 H new ATOM 0 H3' DC A 5 3.329 8.598 13.303 1.00 0.00 H new ATOM 0 H2' DC A 5 3.415 6.263 13.856 1.00 0.00 H new ATOM 0 H2'' DC A 5 2.020 6.758 14.795 1.00 0.00 H new ATOM 0 H1' DC A 5 0.480 5.793 13.285 1.00 0.00 H new ATOM 0 H41 DC A 5 3.782 0.020 13.206 1.00 0.00 H new ATOM 0 H42 DC A 5 2.085 -0.423 13.420 1.00 0.00 H new ATOM 0 H5 DC A 5 4.513 2.333 12.980 1.00 0.00 H new ATOM 0 H6 DC A 5 3.834 4.691 12.878 1.00 0.00 H new ATOM 157 P DA A 6 1.354 9.418 15.107 1.00 0.00 P ATOM 158 OP1 DA A 6 0.907 10.823 15.232 1.00 0.00 O ATOM 159 OP2 DA A 6 2.653 9.229 15.790 1.00 0.00 O ATOM 160 O5' DA A 6 0.221 8.367 15.659 1.00 0.00 O ATOM 161 C5' DA A 6 -1.094 8.503 15.071 1.00 0.00 C ATOM 162 C4' DA A 6 -2.226 7.692 15.740 1.00 0.00 C ATOM 163 O4' DA A 6 -2.151 6.295 15.406 1.00 0.00 O ATOM 164 C3' DA A 6 -2.362 7.843 17.256 1.00 0.00 C ATOM 165 O3' DA A 6 -3.694 8.152 17.688 1.00 0.00 O ATOM 166 C2' DA A 6 -1.949 6.481 17.757 1.00 0.00 C ATOM 167 C1' DA A 6 -2.143 5.504 16.597 1.00 0.00 C ATOM 168 N9 DA A 6 -1.073 4.504 16.480 1.00 0.00 N ATOM 169 C8 DA A 6 0.253 4.833 16.400 1.00 0.00 C ATOM 170 N7 DA A 6 1.049 3.808 16.470 1.00 0.00 N ATOM 171 C5 DA A 6 0.191 2.733 16.620 1.00 0.00 C ATOM 172 C6 DA A 6 0.417 1.347 16.750 1.00 0.00 C ATOM 173 N6 DA A 6 1.654 0.823 16.733 1.00 0.00 N ATOM 174 N1 DA A 6 -0.658 0.554 16.870 1.00 0.00 N ATOM 175 C2 DA A 6 -1.868 1.105 16.860 1.00 0.00 C ATOM 176 N3 DA A 6 -2.210 2.370 16.740 1.00 0.00 N ATOM 177 C4 DA A 6 -1.112 3.139 16.620 1.00 0.00 C ATOM 0 H5' DA A 6 -1.033 8.208 14.024 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.370 9.557 15.089 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.125 8.141 15.319 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.764 8.673 17.634 1.00 0.00 H new ATOM 0 H2' DA A 6 -0.910 6.489 18.085 1.00 0.00 H new ATOM 0 H2'' DA A 6 -2.552 6.186 18.616 1.00 0.00 H new ATOM 0 HO3' DA A 6 -3.711 8.233 18.665 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.066 4.948 16.764 1.00 0.00 H new ATOM 0 H8 DA A 6 0.605 5.848 16.289 1.00 0.00 H new ATOM 0 H61 DA A 6 1.783 -0.184 16.830 1.00 0.00 H new ATOM 0 H62 DA A 6 2.465 1.432 16.624 1.00 0.00 H new ATOM 0 H2 DA A 6 -2.690 0.413 16.966 1.00 0.00 H new TER 189 DA A 6 ATOM 190 O5' DT B 1 -1.602 -6.784 21.395 1.00 0.00 O ATOM 191 C5' DT B 1 -2.268 -7.655 20.472 1.00 0.00 C ATOM 192 C4' DT B 1 -2.918 -6.888 19.289 1.00 0.00 C ATOM 193 O4' DT B 1 -2.239 -5.641 19.029 1.00 0.00 O ATOM 194 C3' DT B 1 -3.073 -7.668 17.958 1.00 0.00 C ATOM 195 O3' DT B 1 -4.492 -7.664 17.612 1.00 0.00 O ATOM 196 C2' DT B 1 -2.208 -6.813 17.056 1.00 0.00 C ATOM 197 C1' DT B 1 -2.205 -5.405 17.627 1.00 0.00 C ATOM 198 N1 DT B 1 -1.073 -4.504 17.320 1.00 0.00 N ATOM 199 C2 DT B 1 -1.320 -3.155 17.170 1.00 0.00 C ATOM 200 O2 DT B 1 -2.432 -2.660 17.123 1.00 0.00 O ATOM 201 N3 DT B 1 -0.197 -2.352 17.130 1.00 0.00 N ATOM 202 C4 DT B 1 1.112 -2.765 17.220 1.00 0.00 C ATOM 203 O4 DT B 1 2.051 -1.991 17.185 1.00 0.00 O ATOM 204 C5 DT B 1 1.273 -4.191 17.370 1.00 0.00 C ATOM 205 C7 DT B 1 2.568 -4.912 17.626 1.00 0.00 C ATOM 206 C6 DT B 1 0.201 -5.006 17.420 1.00 0.00 C ATOM 0 H5' DT B 1 -3.037 -8.219 21.001 1.00 0.00 H new ATOM 0 H5'' DT B 1 -1.553 -8.379 20.081 1.00 0.00 H new ATOM 0 H4' DT B 1 -3.934 -6.716 19.645 1.00 0.00 H new ATOM 0 H3' DT B 1 -2.779 -8.717 17.933 1.00 0.00 H new ATOM 0 H2' DT B 1 -1.194 -7.210 17.009 1.00 0.00 H new ATOM 0 H2'' DT B 1 -2.598 -6.813 16.038 1.00 0.00 H new ATOM 0 HO5' DT B 1 -1.463 -5.909 20.977 1.00 0.00 H new ATOM 0 H1' DT B 1 -3.035 -4.862 17.175 1.00 0.00 H new ATOM 0 H3 DT B 1 -0.354 -1.350 17.023 1.00 0.00 H new ATOM 0 H71 DT B 1 2.373 -5.819 18.199 1.00 0.00 H new ATOM 0 H72 DT B 1 3.032 -5.176 16.675 1.00 0.00 H new ATOM 0 H73 DT B 1 3.240 -4.265 18.190 1.00 0.00 H new ATOM 0 H6 DT B 1 0.346 -6.069 17.540 1.00 0.00 H new ATOM 219 P DG B 2 -4.966 -8.193 16.142 1.00 0.00 P ATOM 220 OP1 DG B 2 -6.247 -8.928 16.213 1.00 0.00 O ATOM 221 OP2 DG B 2 -3.932 -9.019 15.480 1.00 0.00 O ATOM 222 O5' DG B 2 -5.127 -6.713 15.446 1.00 0.00 O ATOM 223 C5' DG B 2 -6.284 -5.934 15.863 1.00 0.00 C ATOM 224 C4' DG B 2 -6.433 -4.532 15.231 1.00 0.00 C ATOM 225 O4' DG B 2 -5.263 -3.717 15.356 1.00 0.00 O ATOM 226 C3' DG B 2 -6.768 -4.671 13.750 1.00 0.00 C ATOM 227 O3' DG B 2 -8.060 -4.088 13.442 1.00 0.00 O ATOM 228 C2' DG B 2 -5.562 -4.108 13.036 1.00 0.00 C ATOM 229 C1' DG B 2 -4.954 -3.186 14.064 1.00 0.00 C ATOM 230 N9 DG B 2 -3.515 -3.013 13.940 1.00 0.00 N ATOM 231 C8 DG B 2 -2.611 -4.052 14.020 1.00 0.00 C ATOM 232 N7 DG B 2 -1.360 -3.677 13.940 1.00 0.00 N ATOM 233 C5 DG B 2 -1.431 -2.290 13.800 1.00 0.00 C ATOM 234 C6 DG B 2 -0.399 -1.331 13.670 1.00 0.00 C ATOM 235 O6 DG B 2 0.792 -1.589 13.678 1.00 0.00 O ATOM 236 N1 DG B 2 -0.919 -0.031 13.550 1.00 0.00 N ATOM 237 C2 DG B 2 -2.262 0.290 13.550 1.00 0.00 C ATOM 238 N2 DG B 2 -2.600 1.625 13.480 1.00 0.00 N ATOM 239 N3 DG B 2 -3.233 -0.611 13.680 1.00 0.00 N ATOM 240 C4 DG B 2 -2.751 -1.877 13.800 1.00 0.00 C ATOM 0 H5' DG B 2 -6.245 -5.818 16.946 1.00 0.00 H new ATOM 0 H5'' DG B 2 -7.182 -6.508 15.636 1.00 0.00 H new ATOM 0 H4' DG B 2 -7.234 -4.037 15.779 1.00 0.00 H new ATOM 0 H3' DG B 2 -6.919 -5.696 13.411 1.00 0.00 H new ATOM 0 H2' DG B 2 -4.867 -4.893 12.738 1.00 0.00 H new ATOM 0 H2'' DG B 2 -5.844 -3.571 12.130 1.00 0.00 H new ATOM 0 H1' DG B 2 -5.379 -2.195 13.907 1.00 0.00 H new ATOM 0 H8 DG B 2 -2.909 -5.083 14.138 1.00 0.00 H new ATOM 0 H1 DG B 2 -0.252 0.735 13.456 1.00 0.00 H new ATOM 0 H21 DG B 2 -3.581 1.903 13.478 1.00 0.00 H new ATOM 0 H22 DG B 2 -1.869 2.334 13.431 1.00 0.00 H new ATOM 252 P DA B 3 -8.543 -4.048 11.884 1.00 0.00 P ATOM 253 OP1 DA B 3 -10.017 -4.012 11.772 1.00 0.00 O ATOM 254 OP2 DA B 3 -7.991 -5.166 11.088 1.00 0.00 O ATOM 255 O5' DA B 3 -7.864 -2.614 11.482 1.00 0.00 O ATOM 256 C5' DA B 3 -8.355 -1.461 12.206 1.00 0.00 C ATOM 257 C4' DA B 3 -7.845 -0.097 11.821 1.00 0.00 C ATOM 258 O4' DA B 3 -6.442 0.048 12.028 1.00 0.00 O ATOM 259 C3' DA B 3 -8.263 0.186 10.394 1.00 0.00 C ATOM 260 O3' DA B 3 -8.892 1.491 10.279 1.00 0.00 O ATOM 261 C2' DA B 3 -6.950 -0.003 9.739 1.00 0.00 C ATOM 262 C1' DA B 3 -5.897 0.342 10.759 1.00 0.00 C ATOM 263 N9 DA B 3 -4.615 -0.371 10.560 1.00 0.00 N ATOM 264 C8 DA B 3 -4.519 -1.735 10.640 1.00 0.00 C ATOM 265 N7 DA B 3 -3.298 -2.174 10.570 1.00 0.00 N ATOM 266 C5 DA B 3 -2.540 -1.026 10.420 1.00 0.00 C ATOM 267 C6 DA B 3 -1.152 -0.813 10.290 1.00 0.00 C ATOM 268 N6 DA B 3 -0.280 -1.836 10.283 1.00 0.00 N ATOM 269 N1 DA B 3 -0.730 0.454 10.170 1.00 0.00 N ATOM 270 C2 DA B 3 -1.628 1.435 10.180 1.00 0.00 C ATOM 271 N3 DA B 3 -2.936 1.369 10.300 1.00 0.00 N ATOM 272 C4 DA B 3 -3.329 0.087 10.420 1.00 0.00 C ATOM 0 H5' DA B 3 -8.130 -1.613 13.262 1.00 0.00 H new ATOM 0 H5'' DA B 3 -9.441 -1.448 12.110 1.00 0.00 H new ATOM 0 H4' DA B 3 -8.292 0.650 12.477 1.00 0.00 H new ATOM 0 H3' DA B 3 -9.040 -0.434 9.947 1.00 0.00 H new ATOM 0 H2' DA B 3 -6.834 -1.031 9.397 1.00 0.00 H new ATOM 0 H2'' DA B 3 -6.861 0.637 8.861 1.00 0.00 H new ATOM 0 H1' DA B 3 -5.645 1.398 10.659 1.00 0.00 H new ATOM 0 H8 DA B 3 -5.376 -2.383 10.751 1.00 0.00 H new ATOM 0 H61 DA B 3 0.719 -1.654 10.188 1.00 0.00 H new ATOM 0 H62 DA B 3 -0.617 -2.794 10.373 1.00 0.00 H new ATOM 0 H2 DA B 3 -1.224 2.431 10.074 1.00 0.00 H new ATOM 284 P DT B 4 -9.392 1.988 8.809 1.00 0.00 P ATOM 285 OP1 DT B 4 -10.557 2.895 8.906 1.00 0.00 O ATOM 286 OP2 DT B 4 -9.687 0.862 7.896 1.00 0.00 O ATOM 287 O5' DT B 4 -8.033 2.782 8.377 1.00 0.00 O ATOM 288 C5' DT B 4 -7.662 3.940 9.170 1.00 0.00 C ATOM 289 C4' DT B 4 -6.345 4.570 8.711 1.00 0.00 C ATOM 290 O4' DT B 4 -5.273 3.617 8.826 1.00 0.00 O ATOM 291 C3' DT B 4 -6.392 5.200 7.321 1.00 0.00 C ATOM 292 O3' DT B 4 -5.904 6.571 7.388 1.00 0.00 O ATOM 293 C2' DT B 4 -5.484 4.246 6.613 1.00 0.00 C ATOM 294 C1' DT B 4 -4.526 3.695 7.622 1.00 0.00 C ATOM 295 N1 DT B 4 -3.952 2.412 7.180 1.00 0.00 N ATOM 296 C2 DT B 4 -2.593 2.230 7.030 1.00 0.00 C ATOM 297 O2 DT B 4 -1.784 3.140 6.988 1.00 0.00 O ATOM 298 N3 DT B 4 -2.176 0.915 6.990 1.00 0.00 N ATOM 299 C4 DT B 4 -2.973 -0.203 7.080 1.00 0.00 C ATOM 300 O4 DT B 4 -2.524 -1.333 7.032 1.00 0.00 O ATOM 301 C5 DT B 4 -4.379 0.084 7.230 1.00 0.00 C ATOM 302 C7 DT B 4 -5.397 -1.011 7.180 1.00 0.00 C ATOM 303 C6 DT B 4 -4.823 1.356 7.280 1.00 0.00 C ATOM 0 H5' DT B 4 -7.575 3.647 10.216 1.00 0.00 H new ATOM 0 H5'' DT B 4 -8.456 4.685 9.113 1.00 0.00 H new ATOM 0 H4' DT B 4 -6.160 5.408 9.383 1.00 0.00 H new ATOM 0 H3' DT B 4 -7.363 5.309 6.839 1.00 0.00 H new ATOM 0 H2' DT B 4 -6.058 3.442 6.152 1.00 0.00 H new ATOM 0 H2'' DT B 4 -4.946 4.753 5.812 1.00 0.00 H new ATOM 0 H1' DT B 4 -3.648 4.325 7.764 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.174 0.756 6.883 1.00 0.00 H new ATOM 0 H71 DT B 4 -5.038 -1.812 6.534 1.00 0.00 H new ATOM 0 H72 DT B 4 -5.562 -1.401 8.184 1.00 0.00 H new ATOM 0 H73 DT B 4 -6.334 -0.619 6.785 1.00 0.00 H new ATOM 0 H6 DT B 4 -5.879 1.547 7.400 1.00 0.00 H new ATOM 316 P DC B 5 -6.083 7.510 6.072 1.00 0.00 P ATOM 317 OP1 DC B 5 -6.231 8.940 6.424 1.00 0.00 O ATOM 318 OP2 DC B 5 -7.196 7.075 5.199 1.00 0.00 O ATOM 319 O5' DC B 5 -4.629 7.172 5.427 1.00 0.00 O ATOM 320 C5' DC B 5 -3.470 7.828 6.006 1.00 0.00 C ATOM 321 C4' DC B 5 -2.226 7.576 5.123 1.00 0.00 C ATOM 322 O4' DC B 5 -1.769 6.210 5.211 1.00 0.00 O ATOM 323 C3' DC B 5 -2.441 8.007 3.667 1.00 0.00 C ATOM 324 O3' DC B 5 -1.377 8.898 3.212 1.00 0.00 O ATOM 325 C2' DC B 5 -2.405 6.643 3.035 1.00 0.00 C ATOM 326 C1' DC B 5 -1.519 5.732 3.892 1.00 0.00 C ATOM 327 N1 DC B 5 -1.779 4.274 3.800 1.00 0.00 N ATOM 328 C2 DC B 5 -0.788 3.307 3.650 1.00 0.00 C ATOM 329 O2 DC B 5 0.398 3.603 3.587 1.00 0.00 O ATOM 330 N3 DC B 5 -1.152 2.003 3.600 1.00 0.00 N ATOM 331 C4 DC B 5 -2.437 1.644 3.700 1.00 0.00 C ATOM 332 N4 DC B 5 -2.800 0.289 3.630 1.00 0.00 N ATOM 333 C5 DC B 5 -3.474 2.618 3.850 1.00 0.00 C ATOM 334 C6 DC B 5 -3.086 3.921 3.900 1.00 0.00 C ATOM 0 H5' DC B 5 -3.294 7.451 7.014 1.00 0.00 H new ATOM 0 H5'' DC B 5 -3.654 8.899 6.094 1.00 0.00 H new ATOM 0 H4' DC B 5 -1.434 8.209 5.523 1.00 0.00 H new ATOM 0 H3' DC B 5 -3.337 8.587 3.449 1.00 0.00 H new ATOM 0 H2' DC B 5 -3.412 6.233 2.963 1.00 0.00 H new ATOM 0 H2'' DC B 5 -2.013 6.706 2.020 1.00 0.00 H new ATOM 0 H1' DC B 5 -0.485 5.791 3.553 1.00 0.00 H new ATOM 0 H41 DC B 5 -3.781 0.019 3.707 1.00 0.00 H new ATOM 0 H42 DC B 5 -2.083 -0.425 3.503 1.00 0.00 H new ATOM 0 H5 DC B 5 -4.513 2.333 3.920 1.00 0.00 H new ATOM 0 H6 DC B 5 -3.834 4.691 4.022 1.00 0.00 H new ATOM 346 P DA B 6 -1.363 9.380 1.643 1.00 0.00 P ATOM 347 OP1 DA B 6 -0.926 10.786 1.501 1.00 0.00 O ATOM 348 OP2 DA B 6 -2.659 9.173 0.961 1.00 0.00 O ATOM 349 O5' DA B 6 -0.220 8.334 1.104 1.00 0.00 O ATOM 350 C5' DA B 6 1.096 8.501 1.682 1.00 0.00 C ATOM 351 C4' DA B 6 2.239 7.711 1.007 1.00 0.00 C ATOM 352 O4' DA B 6 2.201 6.325 1.383 1.00 0.00 O ATOM 353 C3' DA B 6 2.341 7.825 -0.515 1.00 0.00 C ATOM 354 O3' DA B 6 3.657 8.142 -0.989 1.00 0.00 O ATOM 355 C2' DA B 6 1.935 6.445 -0.970 1.00 0.00 C ATOM 356 C1' DA B 6 2.146 5.498 0.218 1.00 0.00 C ATOM 357 N9 DA B 6 1.073 4.504 0.420 1.00 0.00 N ATOM 358 C8 DA B 6 -0.253 4.833 0.500 1.00 0.00 C ATOM 359 N7 DA B 6 -1.049 3.808 0.430 1.00 0.00 N ATOM 360 C5 DA B 6 -0.191 2.733 0.280 1.00 0.00 C ATOM 361 C6 DA B 6 -0.417 1.347 0.150 1.00 0.00 C ATOM 362 N6 DA B 6 -1.658 0.830 0.163 1.00 0.00 N ATOM 363 N1 DA B 6 0.658 0.554 0.030 1.00 0.00 N ATOM 364 C2 DA B 6 1.868 1.105 0.040 1.00 0.00 C ATOM 365 N3 DA B 6 2.210 2.370 0.160 1.00 0.00 N ATOM 366 C4 DA B 6 1.112 3.139 0.280 1.00 0.00 C ATOM 0 H5' DA B 6 1.050 8.209 2.731 1.00 0.00 H new ATOM 0 H5'' DA B 6 1.350 9.561 1.657 1.00 0.00 H new ATOM 0 H4' DA B 6 3.137 8.197 1.387 1.00 0.00 H new ATOM 0 H3' DA B 6 1.725 8.638 -0.899 1.00 0.00 H new ATOM 0 H2' DA B 6 0.893 6.436 -1.289 1.00 0.00 H new ATOM 0 H2'' DA B 6 2.533 6.130 -1.825 1.00 0.00 H new ATOM 0 HO3' DA B 6 3.648 8.197 -1.967 1.00 0.00 H new ATOM 0 H1' DA B 6 3.052 4.924 0.024 1.00 0.00 H new ATOM 0 H8 DA B 6 -0.605 5.848 0.611 1.00 0.00 H new ATOM 0 H61 DA B 6 -1.792 -0.177 0.067 1.00 0.00 H new ATOM 0 H62 DA B 6 -2.465 1.444 0.269 1.00 0.00 H new ATOM 0 H2 DA B 6 2.690 0.413 -0.066 1.00 0.00 H new TER 379 DA B 6