USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 185 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 NoAdj-H: A 4 DT H3 : A 4 DT N3 : B 13 EDI C11 :(H bumps) USER MOD Set 1.1: A 4 DT C7 :methyl -30:sc= 0 (180deg=-0.00194) USER MOD Set 1.2: A 5 DT C7 :methyl 150:sc= -0.0629 (180deg=-0.0629) USER MOD Single : A 1 DC O5' : rot 180:sc= -0.813 USER MOD Single : A 8 DA O3' : rot 180:sc= 0 USER MOD Single : B 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 9 DT O5' : rot 180:sc= -0.0385 USER MOD Single : B 15 DT C7 :methyl -30:sc= 0 (180deg=-0.00184) USER MOD Single : B 16 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 10.856 -3.089 9.617 1.00 0.00 O ATOM 2 C5' DC A 1 10.946 -3.730 10.894 1.00 0.00 C ATOM 3 C4' DC A 1 9.576 -4.047 11.448 1.00 0.00 C ATOM 4 O4' DC A 1 8.884 -2.804 11.719 1.00 0.00 O ATOM 5 C3' DC A 1 8.665 -4.835 10.508 1.00 0.00 C ATOM 6 O3' DC A 1 7.819 -5.718 11.257 1.00 0.00 O ATOM 7 C2' DC A 1 7.842 -3.756 9.827 1.00 0.00 C ATOM 8 C1' DC A 1 7.737 -2.677 10.891 1.00 0.00 C ATOM 9 N1 DC A 1 7.713 -1.303 10.363 1.00 0.00 N ATOM 10 C2 DC A 1 6.632 -0.474 10.680 1.00 0.00 C ATOM 11 O2 DC A 1 5.726 -0.918 11.400 1.00 0.00 O ATOM 12 N3 DC A 1 6.601 0.788 10.196 1.00 0.00 N ATOM 13 C4 DC A 1 7.596 1.230 9.424 1.00 0.00 C ATOM 14 N4 DC A 1 7.524 2.482 8.969 1.00 0.00 N ATOM 15 C5 DC A 1 8.712 0.409 9.086 1.00 0.00 C ATOM 16 C6 DC A 1 8.729 -0.839 9.573 1.00 0.00 C ATOM 0 H5' DC A 1 11.482 -3.085 11.590 1.00 0.00 H new ATOM 0 H5'' DC A 1 11.525 -4.649 10.802 1.00 0.00 H new ATOM 0 H4' DC A 1 9.762 -4.660 12.330 1.00 0.00 H new ATOM 0 H3' DC A 1 9.213 -5.460 9.803 1.00 0.00 H new ATOM 0 H2' DC A 1 8.330 -3.386 8.925 1.00 0.00 H new ATOM 0 H2'' DC A 1 6.861 -4.125 9.530 1.00 0.00 H new ATOM 0 HO5' DC A 1 11.757 -2.895 9.284 1.00 0.00 H new ATOM 0 H1' DC A 1 6.792 -2.824 11.414 1.00 0.00 H new ATOM 0 H41 DC A 1 8.267 2.853 8.376 1.00 0.00 H new ATOM 0 H42 DC A 1 6.726 3.068 9.214 1.00 0.00 H new ATOM 0 H5 DC A 1 9.512 0.779 8.462 1.00 0.00 H new ATOM 0 H6 DC A 1 9.558 -1.489 9.338 1.00 0.00 H new ATOM 29 P DA A 2 6.855 -6.749 10.484 1.00 0.00 P ATOM 30 OP1 DA A 2 6.529 -7.841 11.437 1.00 0.00 O ATOM 31 OP2 DA A 2 7.470 -7.081 9.173 1.00 0.00 O ATOM 32 O5' DA A 2 5.526 -5.912 10.214 1.00 0.00 O ATOM 33 C5' DA A 2 4.634 -5.584 11.281 1.00 0.00 C ATOM 34 C4' DA A 2 3.286 -5.173 10.735 1.00 0.00 C ATOM 35 O4' DA A 2 3.370 -3.802 10.279 1.00 0.00 O ATOM 36 C3' DA A 2 2.781 -5.996 9.543 1.00 0.00 C ATOM 37 O3' DA A 2 1.472 -6.505 9.834 1.00 0.00 O ATOM 38 C2' DA A 2 2.751 -5.010 8.386 1.00 0.00 C ATOM 39 C1' DA A 2 2.657 -3.666 9.069 1.00 0.00 C ATOM 40 N9 DA A 2 3.260 -2.571 8.314 1.00 0.00 N ATOM 41 C8 DA A 2 4.355 -2.646 7.498 1.00 0.00 C ATOM 42 N7 DA A 2 4.694 -1.499 6.961 1.00 0.00 N ATOM 43 C5 DA A 2 3.746 -0.611 7.451 1.00 0.00 C ATOM 44 C6 DA A 2 3.548 0.765 7.255 1.00 0.00 C ATOM 45 N6 DA A 2 4.333 1.526 6.490 1.00 0.00 N ATOM 46 N1 DA A 2 2.503 1.343 7.883 1.00 0.00 N ATOM 47 C2 DA A 2 1.717 0.582 8.656 1.00 0.00 C ATOM 48 N3 DA A 2 1.805 -0.716 8.923 1.00 0.00 N ATOM 49 C4 DA A 2 2.852 -1.261 8.281 1.00 0.00 C ATOM 0 H5' DA A 2 5.054 -4.774 11.878 1.00 0.00 H new ATOM 0 H5'' DA A 2 4.519 -6.442 11.943 1.00 0.00 H new ATOM 0 H4' DA A 2 2.588 -5.329 11.557 1.00 0.00 H new ATOM 0 H3' DA A 2 3.408 -6.858 9.316 1.00 0.00 H new ATOM 0 H2' DA A 2 3.648 -5.086 7.771 1.00 0.00 H new ATOM 0 H2'' DA A 2 1.899 -5.187 7.730 1.00 0.00 H new ATOM 0 H1' DA A 2 1.604 -3.412 9.189 1.00 0.00 H new ATOM 0 H8 DA A 2 4.891 -3.565 7.313 1.00 0.00 H new ATOM 0 H61 DA A 2 4.135 2.521 6.388 1.00 0.00 H new ATOM 0 H62 DA A 2 5.131 1.112 6.007 1.00 0.00 H new ATOM 0 H2 DA A 2 0.895 1.097 9.130 1.00 0.00 H new ATOM 61 P DG A 3 0.590 -7.181 8.669 1.00 0.00 P ATOM 62 OP1 DG A 3 -0.109 -8.342 9.276 1.00 0.00 O ATOM 63 OP2 DG A 3 1.439 -7.386 7.466 1.00 0.00 O ATOM 64 O5' DG A 3 -0.507 -6.075 8.334 1.00 0.00 O ATOM 65 C5' DG A 3 -1.252 -5.445 9.380 1.00 0.00 C ATOM 66 C4' DG A 3 -2.095 -4.321 8.823 1.00 0.00 C ATOM 67 O4' DG A 3 -1.217 -3.249 8.398 1.00 0.00 O ATOM 68 C3' DG A 3 -2.953 -4.692 7.610 1.00 0.00 C ATOM 69 O3' DG A 3 -4.315 -4.316 7.835 1.00 0.00 O ATOM 70 C2' DG A 3 -2.357 -3.893 6.467 1.00 0.00 C ATOM 71 C1' DG A 3 -1.632 -2.756 7.139 1.00 0.00 C ATOM 72 N9 DG A 3 -0.448 -2.322 6.410 1.00 0.00 N ATOM 73 C8 DG A 3 0.537 -3.132 5.911 1.00 0.00 C ATOM 74 N7 DG A 3 1.489 -2.476 5.306 1.00 0.00 N ATOM 75 C5 DG A 3 1.099 -1.147 5.402 1.00 0.00 C ATOM 76 C6 DG A 3 1.726 0.030 4.927 1.00 0.00 C ATOM 77 O6 DG A 3 2.793 0.140 4.311 1.00 0.00 O ATOM 78 N1 DG A 3 0.984 1.164 5.235 1.00 0.00 N ATOM 79 C2 DG A 3 -0.207 1.168 5.915 1.00 0.00 C ATOM 80 N2 DG A 3 -0.773 2.365 6.103 1.00 0.00 N ATOM 81 N3 DG A 3 -0.799 0.080 6.373 1.00 0.00 N ATOM 82 C4 DG A 3 -0.097 -1.034 6.081 1.00 0.00 C ATOM 0 H5' DG A 3 -0.571 -5.056 10.137 1.00 0.00 H new ATOM 0 H5'' DG A 3 -1.891 -6.178 9.872 1.00 0.00 H new ATOM 0 H4' DG A 3 -2.774 -4.044 9.630 1.00 0.00 H new ATOM 0 H3' DG A 3 -2.954 -5.763 7.407 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.676 -4.501 5.871 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.131 -3.527 5.793 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.299 -1.896 7.199 1.00 0.00 H new ATOM 0 H8 DG A 3 0.527 -4.208 6.009 1.00 0.00 H new ATOM 0 H1 DG A 3 1.354 2.065 4.931 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.660 2.437 6.602 1.00 0.00 H new ATOM 0 H22 DG A 3 -0.318 3.206 5.748 1.00 0.00 H new ATOM 94 P DT A 4 -5.466 -4.860 6.852 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.595 -5.320 7.701 1.00 0.00 O ATOM 96 OP2 DT A 4 -4.857 -5.795 5.872 1.00 0.00 O ATOM 97 O5' DT A 4 -5.935 -3.557 6.065 1.00 0.00 O ATOM 98 C5' DT A 4 -6.240 -2.353 6.767 1.00 0.00 C ATOM 99 C4' DT A 4 -5.926 -1.152 5.906 1.00 0.00 C ATOM 100 O4' DT A 4 -4.534 -1.209 5.517 1.00 0.00 O ATOM 101 C3' DT A 4 -6.734 -1.049 4.606 1.00 0.00 C ATOM 102 O3' DT A 4 -7.492 0.165 4.596 1.00 0.00 O ATOM 103 C2' DT A 4 -5.688 -1.040 3.501 1.00 0.00 C ATOM 104 C1' DT A 4 -4.402 -0.684 4.216 1.00 0.00 C ATOM 105 N1 DT A 4 -3.187 -1.256 3.606 1.00 0.00 N ATOM 106 C2 DT A 4 -2.151 -0.402 3.311 1.00 0.00 C ATOM 107 O2 DT A 4 -2.194 0.793 3.563 1.00 0.00 O ATOM 108 N3 DT A 4 -1.056 -0.985 2.711 1.00 0.00 N ATOM 109 C4 DT A 4 -0.929 -2.331 2.398 1.00 0.00 C ATOM 110 O4 DT A 4 0.102 -2.738 1.866 1.00 0.00 O ATOM 111 C5 DT A 4 -2.055 -3.170 2.741 1.00 0.00 C ATOM 112 C7 DT A 4 -2.032 -4.610 2.332 1.00 0.00 C ATOM 113 C6 DT A 4 -3.112 -2.604 3.333 1.00 0.00 C ATOM 0 H5' DT A 4 -5.664 -2.307 7.692 1.00 0.00 H new ATOM 0 H5'' DT A 4 -7.294 -2.344 7.047 1.00 0.00 H new ATOM 0 H4' DT A 4 -6.182 -0.289 6.521 1.00 0.00 H new ATOM 0 H3' DT A 4 -7.445 -1.867 4.487 1.00 0.00 H new ATOM 0 H2' DT A 4 -5.617 -2.011 3.011 1.00 0.00 H new ATOM 0 H2'' DT A 4 -5.930 -0.310 2.728 1.00 0.00 H new ATOM 0 H1' DT A 4 -4.272 0.397 4.175 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.455 -4.718 1.414 1.00 0.00 H new ATOM 0 H72 DT A 4 -1.573 -5.205 3.121 1.00 0.00 H new ATOM 0 H73 DT A 4 -3.051 -4.956 2.163 1.00 0.00 H new ATOM 0 H6 DT A 4 -3.945 -3.233 3.610 1.00 0.00 H new ATOM 125 P DT A 5 -8.586 0.411 3.445 1.00 0.00 P ATOM 126 OP1 DT A 5 -9.544 1.426 3.955 1.00 0.00 O ATOM 127 OP2 DT A 5 -9.094 -0.904 2.979 1.00 0.00 O ATOM 128 O5' DT A 5 -7.748 1.073 2.265 1.00 0.00 O ATOM 129 C5' DT A 5 -7.025 2.287 2.471 1.00 0.00 C ATOM 130 C4' DT A 5 -6.496 2.806 1.155 1.00 0.00 C ATOM 131 O4' DT A 5 -5.309 2.057 0.810 1.00 0.00 O ATOM 132 C3' DT A 5 -7.464 2.661 -0.024 1.00 0.00 C ATOM 133 O3' DT A 5 -7.630 3.919 -0.684 1.00 0.00 O ATOM 134 C2' DT A 5 -6.790 1.664 -0.951 1.00 0.00 C ATOM 135 C1' DT A 5 -5.332 1.734 -0.564 1.00 0.00 C ATOM 136 N1 DT A 5 -4.584 0.477 -0.748 1.00 0.00 N ATOM 137 C2 DT A 5 -3.395 0.535 -1.437 1.00 0.00 C ATOM 138 O2 DT A 5 -2.945 1.567 -1.902 1.00 0.00 O ATOM 139 N3 DT A 5 -2.751 -0.664 -1.565 1.00 0.00 N ATOM 140 C4 DT A 5 -3.166 -1.890 -1.093 1.00 0.00 C ATOM 141 O4 DT A 5 -2.462 -2.880 -1.266 1.00 0.00 O ATOM 142 C5 DT A 5 -4.429 -1.883 -0.387 1.00 0.00 C ATOM 143 C7 DT A 5 -4.997 -3.182 0.091 1.00 0.00 C ATOM 144 C6 DT A 5 -5.069 -0.714 -0.241 1.00 0.00 C ATOM 0 H5' DT A 5 -6.199 2.115 3.161 1.00 0.00 H new ATOM 0 H5'' DT A 5 -7.674 3.032 2.930 1.00 0.00 H new ATOM 0 H4' DT A 5 -6.317 3.870 1.307 1.00 0.00 H new ATOM 0 H3' DT A 5 -8.455 2.333 0.288 1.00 0.00 H new ATOM 0 H2' DT A 5 -7.191 0.659 -0.816 1.00 0.00 H new ATOM 0 H2'' DT A 5 -6.938 1.929 -1.998 1.00 0.00 H new ATOM 0 H1' DT A 5 -4.849 2.466 -1.211 1.00 0.00 H new ATOM 0 H3 DT A 5 -1.863 -0.649 -2.067 1.00 0.00 H new ATOM 0 H71 DT A 5 -5.586 -3.012 0.992 1.00 0.00 H new ATOM 0 H72 DT A 5 -5.634 -3.608 -0.684 1.00 0.00 H new ATOM 0 H73 DT A 5 -4.185 -3.874 0.314 1.00 0.00 H new ATOM 0 H6 DT A 5 -6.005 -0.702 0.297 1.00 0.00 H new ATOM 157 P DC A 6 -8.793 4.097 -1.780 1.00 0.00 P ATOM 158 OP1 DC A 6 -9.667 5.204 -1.320 1.00 0.00 O ATOM 159 OP2 DC A 6 -9.385 2.766 -2.069 1.00 0.00 O ATOM 160 O5' DC A 6 -8.024 4.587 -3.088 1.00 0.00 O ATOM 161 C5' DC A 6 -6.812 5.339 -2.993 1.00 0.00 C ATOM 162 C4' DC A 6 -5.831 4.884 -4.048 1.00 0.00 C ATOM 163 O4' DC A 6 -5.405 3.540 -3.730 1.00 0.00 O ATOM 164 C3' DC A 6 -6.392 4.834 -5.473 1.00 0.00 C ATOM 165 O3' DC A 6 -5.629 5.692 -6.330 1.00 0.00 O ATOM 166 C2' DC A 6 -6.237 3.380 -5.899 1.00 0.00 C ATOM 167 C1' DC A 6 -5.219 2.824 -4.930 1.00 0.00 C ATOM 168 N1 DC A 6 -5.367 1.391 -4.629 1.00 0.00 N ATOM 169 C2 DC A 6 -4.240 0.570 -4.700 1.00 0.00 C ATOM 170 O2 DC A 6 -3.158 1.064 -5.040 1.00 0.00 O ATOM 171 N3 DC A 6 -4.357 -0.743 -4.398 1.00 0.00 N ATOM 172 C4 DC A 6 -5.541 -1.240 -4.039 1.00 0.00 C ATOM 173 N4 DC A 6 -5.604 -2.537 -3.737 1.00 0.00 N ATOM 174 C5 DC A 6 -6.712 -0.430 -3.970 1.00 0.00 C ATOM 175 C6 DC A 6 -6.581 0.869 -4.276 1.00 0.00 C ATOM 0 H5' DC A 6 -6.375 5.215 -2.002 1.00 0.00 H new ATOM 0 H5'' DC A 6 -7.024 6.401 -3.117 1.00 0.00 H new ATOM 0 H4' DC A 6 -5.028 5.621 -4.035 1.00 0.00 H new ATOM 0 H3' DC A 6 -7.428 5.169 -5.527 1.00 0.00 H new ATOM 0 H2' DC A 6 -7.183 2.842 -5.837 1.00 0.00 H new ATOM 0 H2'' DC A 6 -5.892 3.300 -6.930 1.00 0.00 H new ATOM 0 H1' DC A 6 -4.233 2.931 -5.381 1.00 0.00 H new ATOM 0 H41 DC A 6 -6.492 -2.953 -3.458 1.00 0.00 H new ATOM 0 H42 DC A 6 -4.764 -3.113 -3.785 1.00 0.00 H new ATOM 0 H5 DC A 6 -7.666 -0.846 -3.683 1.00 0.00 H new ATOM 0 H6 DC A 6 -7.447 1.513 -4.243 1.00 0.00 H new ATOM 187 P DC A 7 -5.908 5.699 -7.914 1.00 0.00 P ATOM 188 OP1 DC A 7 -5.389 6.984 -8.450 1.00 0.00 O ATOM 189 OP2 DC A 7 -7.328 5.329 -8.145 1.00 0.00 O ATOM 190 O5' DC A 7 -4.990 4.521 -8.472 1.00 0.00 O ATOM 191 C5' DC A 7 -3.567 4.647 -8.497 1.00 0.00 C ATOM 192 C4' DC A 7 -2.958 3.563 -9.354 1.00 0.00 C ATOM 193 O4' DC A 7 -3.171 2.288 -8.710 1.00 0.00 O ATOM 194 C3' DC A 7 -3.548 3.436 -10.764 1.00 0.00 C ATOM 195 O3' DC A 7 -2.512 3.606 -11.736 1.00 0.00 O ATOM 196 C2' DC A 7 -4.107 2.021 -10.825 1.00 0.00 C ATOM 197 C1' DC A 7 -3.396 1.308 -9.697 1.00 0.00 C ATOM 198 N1 DC A 7 -4.147 0.208 -9.070 1.00 0.00 N ATOM 199 C2 DC A 7 -3.487 -0.994 -8.819 1.00 0.00 C ATOM 200 O2 DC A 7 -2.300 -1.109 -9.156 1.00 0.00 O ATOM 201 N3 DC A 7 -4.153 -2.004 -8.218 1.00 0.00 N ATOM 202 C4 DC A 7 -5.431 -1.845 -7.873 1.00 0.00 C ATOM 203 N4 DC A 7 -6.043 -2.866 -7.269 1.00 0.00 N ATOM 204 C5 DC A 7 -6.138 -0.633 -8.131 1.00 0.00 C ATOM 205 C6 DC A 7 -5.462 0.358 -8.728 1.00 0.00 C ATOM 0 H5' DC A 7 -3.172 4.583 -7.483 1.00 0.00 H new ATOM 0 H5'' DC A 7 -3.289 5.626 -8.886 1.00 0.00 H new ATOM 0 H4' DC A 7 -1.909 3.841 -9.460 1.00 0.00 H new ATOM 0 H3' DC A 7 -4.312 4.186 -10.970 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.188 2.011 -10.687 1.00 0.00 H new ATOM 0 H2'' DC A 7 -3.904 1.551 -11.787 1.00 0.00 H new ATOM 0 H1' DC A 7 -2.499 0.849 -10.113 1.00 0.00 H new ATOM 0 H41 DC A 7 -7.021 -2.782 -6.990 1.00 0.00 H new ATOM 0 H42 DC A 7 -5.533 -3.730 -7.086 1.00 0.00 H new ATOM 0 H5 DC A 7 -7.176 -0.519 -7.856 1.00 0.00 H new ATOM 0 H6 DC A 7 -5.964 1.290 -8.942 1.00 0.00 H new ATOM 217 P DA A 8 -2.889 3.970 -13.256 1.00 0.00 P ATOM 218 OP1 DA A 8 -2.768 5.443 -13.397 1.00 0.00 O ATOM 219 OP2 DA A 8 -4.168 3.302 -13.605 1.00 0.00 O ATOM 220 O5' DA A 8 -1.723 3.295 -14.108 1.00 0.00 O ATOM 221 C5' DA A 8 -0.362 3.700 -13.942 1.00 0.00 C ATOM 222 C4' DA A 8 0.569 2.540 -14.215 1.00 0.00 C ATOM 223 O4' DA A 8 0.076 1.370 -13.520 1.00 0.00 O ATOM 224 C3' DA A 8 0.697 2.142 -15.685 1.00 0.00 C ATOM 225 O3' DA A 8 2.039 1.759 -15.992 1.00 0.00 O ATOM 226 C2' DA A 8 -0.238 0.955 -15.829 1.00 0.00 C ATOM 227 C1' DA A 8 -0.309 0.357 -14.434 1.00 0.00 C ATOM 228 N9 DA A 8 -1.651 -0.087 -14.062 1.00 0.00 N ATOM 229 C8 DA A 8 -2.822 0.603 -14.241 1.00 0.00 C ATOM 230 N7 DA A 8 -3.884 -0.039 -13.819 1.00 0.00 N ATOM 231 C5 DA A 8 -3.377 -1.233 -13.326 1.00 0.00 C ATOM 232 C6 DA A 8 -3.993 -2.351 -12.738 1.00 0.00 C ATOM 233 N6 DA A 8 -5.308 -2.455 -12.542 1.00 0.00 N ATOM 234 N1 DA A 8 -3.199 -3.376 -12.354 1.00 0.00 N ATOM 235 C2 DA A 8 -1.879 -3.273 -12.555 1.00 0.00 C ATOM 236 N3 DA A 8 -1.184 -2.277 -13.100 1.00 0.00 N ATOM 237 C4 DA A 8 -2.002 -1.275 -13.468 1.00 0.00 C ATOM 0 H5' DA A 8 -0.207 4.069 -12.928 1.00 0.00 H new ATOM 0 H5'' DA A 8 -0.136 4.524 -14.619 1.00 0.00 H new ATOM 0 H4' DA A 8 1.548 2.879 -13.877 1.00 0.00 H new ATOM 0 H3' DA A 8 0.449 2.960 -16.361 1.00 0.00 H new ATOM 0 H2' DA A 8 -1.223 1.265 -16.179 1.00 0.00 H new ATOM 0 H2'' DA A 8 0.144 0.234 -16.551 1.00 0.00 H new ATOM 0 HO3' DA A 8 2.099 1.506 -16.937 1.00 0.00 H new ATOM 0 H1' DA A 8 0.342 -0.517 -14.413 1.00 0.00 H new ATOM 0 H8 DA A 8 -2.865 1.585 -14.688 1.00 0.00 H new ATOM 0 H61 DA A 8 -5.694 -3.294 -12.109 1.00 0.00 H new ATOM 0 H62 DA A 8 -5.927 -1.696 -12.825 1.00 0.00 H new ATOM 0 H2 DA A 8 -1.294 -4.120 -12.228 1.00 0.00 H new TER 250 DA A 8 ATOM 251 O5' DT B 9 -5.348 -11.086 -9.448 1.00 0.00 O ATOM 252 C5' DT B 9 -4.268 -11.796 -10.063 1.00 0.00 C ATOM 253 C4' DT B 9 -2.977 -11.015 -9.964 1.00 0.00 C ATOM 254 O4' DT B 9 -3.089 -9.825 -10.782 1.00 0.00 O ATOM 255 C3' DT B 9 -2.625 -10.521 -8.561 1.00 0.00 C ATOM 256 O3' DT B 9 -1.204 -10.503 -8.378 1.00 0.00 O ATOM 257 C2' DT B 9 -3.185 -9.110 -8.544 1.00 0.00 C ATOM 258 C1' DT B 9 -2.951 -8.664 -9.977 1.00 0.00 C ATOM 259 N1 DT B 9 -3.905 -7.651 -10.472 1.00 0.00 N ATOM 260 C2 DT B 9 -3.396 -6.467 -10.956 1.00 0.00 C ATOM 261 O2 DT B 9 -2.203 -6.225 -11.002 1.00 0.00 O ATOM 262 N3 DT B 9 -4.338 -5.574 -11.388 1.00 0.00 N ATOM 263 C4 DT B 9 -5.706 -5.739 -11.385 1.00 0.00 C ATOM 264 O4 DT B 9 -6.429 -4.837 -11.799 1.00 0.00 O ATOM 265 C5 DT B 9 -6.174 -7.006 -10.868 1.00 0.00 C ATOM 266 C7 DT B 9 -7.647 -7.271 -10.824 1.00 0.00 C ATOM 267 C6 DT B 9 -5.264 -7.893 -10.442 1.00 0.00 C ATOM 0 H5' DT B 9 -4.503 -11.985 -11.110 1.00 0.00 H new ATOM 0 H5'' DT B 9 -4.147 -12.767 -9.583 1.00 0.00 H new ATOM 0 H4' DT B 9 -2.201 -11.711 -10.283 1.00 0.00 H new ATOM 0 H3' DT B 9 -3.025 -11.152 -7.767 1.00 0.00 H new ATOM 0 H2' DT B 9 -4.242 -9.093 -8.278 1.00 0.00 H new ATOM 0 H2'' DT B 9 -2.666 -8.473 -7.828 1.00 0.00 H new ATOM 0 HO5' DT B 9 -6.172 -11.611 -9.527 1.00 0.00 H new ATOM 0 H1' DT B 9 -1.967 -8.197 -10.022 1.00 0.00 H new ATOM 0 H3 DT B 9 -3.989 -4.688 -11.753 1.00 0.00 H new ATOM 0 H71 DT B 9 -7.828 -8.340 -10.937 1.00 0.00 H new ATOM 0 H72 DT B 9 -8.049 -6.934 -9.869 1.00 0.00 H new ATOM 0 H73 DT B 9 -8.138 -6.733 -11.635 1.00 0.00 H new ATOM 0 H6 DT B 9 -5.610 -8.841 -10.057 1.00 0.00 H new ATOM 281 P DG B 10 -0.583 -10.773 -6.920 1.00 0.00 P ATOM 282 OP1 DG B 10 -0.288 -12.225 -6.828 1.00 0.00 O ATOM 283 OP2 DG B 10 -1.468 -10.139 -5.909 1.00 0.00 O ATOM 284 O5' DG B 10 0.803 -9.985 -6.936 1.00 0.00 O ATOM 285 C5' DG B 10 1.862 -10.369 -7.817 1.00 0.00 C ATOM 286 C4' DG B 10 2.741 -9.180 -8.132 1.00 0.00 C ATOM 287 O4' DG B 10 1.904 -8.053 -8.484 1.00 0.00 O ATOM 288 C3' DG B 10 3.617 -8.694 -6.979 1.00 0.00 C ATOM 289 O3' DG B 10 4.838 -8.134 -7.483 1.00 0.00 O ATOM 290 C2' DG B 10 2.764 -7.628 -6.322 1.00 0.00 C ATOM 291 C1' DG B 10 1.968 -7.048 -7.480 1.00 0.00 C ATOM 292 N9 DG B 10 0.603 -6.677 -7.133 1.00 0.00 N ATOM 293 C8 DG B 10 -0.274 -7.391 -6.358 1.00 0.00 C ATOM 294 N7 DG B 10 -1.438 -6.814 -6.229 1.00 0.00 N ATOM 295 C5 DG B 10 -1.318 -5.640 -6.962 1.00 0.00 C ATOM 296 C6 DG B 10 -2.254 -4.598 -7.194 1.00 0.00 C ATOM 297 O6 DG B 10 -3.420 -4.502 -6.788 1.00 0.00 O ATOM 298 N1 DG B 10 -1.714 -3.596 -7.991 1.00 0.00 N ATOM 299 C2 DG B 10 -0.440 -3.594 -8.502 1.00 0.00 C ATOM 300 N2 DG B 10 -0.103 -2.535 -9.246 1.00 0.00 N ATOM 301 N3 DG B 10 0.440 -4.556 -8.297 1.00 0.00 N ATOM 302 C4 DG B 10 -0.063 -5.541 -7.523 1.00 0.00 C ATOM 0 H5' DG B 10 1.447 -10.777 -8.739 1.00 0.00 H new ATOM 0 H5'' DG B 10 2.457 -11.158 -7.358 1.00 0.00 H new ATOM 0 H4' DG B 10 3.394 -9.526 -8.934 1.00 0.00 H new ATOM 0 H3' DG B 10 3.909 -9.487 -6.291 1.00 0.00 H new ATOM 0 H2' DG B 10 2.111 -8.050 -5.558 1.00 0.00 H new ATOM 0 H2'' DG B 10 3.375 -6.868 -5.835 1.00 0.00 H new ATOM 0 H1' DG B 10 2.470 -6.136 -7.802 1.00 0.00 H new ATOM 0 H8 DG B 10 -0.026 -8.337 -5.900 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.311 -2.800 -8.214 1.00 0.00 H new ATOM 0 H21 DG B 10 0.830 -2.475 -9.654 1.00 0.00 H new ATOM 0 H22 DG B 10 -0.779 -1.788 -9.405 1.00 0.00 H new ATOM 314 P DG B 11 5.769 -7.239 -6.519 1.00 0.00 P ATOM 315 OP1 DG B 11 7.033 -6.975 -7.253 1.00 0.00 O ATOM 316 OP2 DG B 11 5.820 -7.887 -5.185 1.00 0.00 O ATOM 317 O5' DG B 11 4.978 -5.862 -6.377 1.00 0.00 O ATOM 318 C5' DG B 11 5.115 -4.826 -7.354 1.00 0.00 C ATOM 319 C4' DG B 11 4.927 -3.468 -6.715 1.00 0.00 C ATOM 320 O4' DG B 11 3.510 -3.211 -6.552 1.00 0.00 O ATOM 321 C3' DG B 11 5.554 -3.308 -5.325 1.00 0.00 C ATOM 322 O3' DG B 11 6.295 -2.082 -5.267 1.00 0.00 O ATOM 323 C2' DG B 11 4.360 -3.271 -4.387 1.00 0.00 C ATOM 324 C1' DG B 11 3.274 -2.689 -5.260 1.00 0.00 C ATOM 325 N9 DG B 11 1.919 -3.053 -4.865 1.00 0.00 N ATOM 326 C8 DG B 11 1.530 -4.211 -4.242 1.00 0.00 C ATOM 327 N7 DG B 11 0.248 -4.265 -4.008 1.00 0.00 N ATOM 328 C5 DG B 11 -0.241 -3.063 -4.504 1.00 0.00 C ATOM 329 C6 DG B 11 -1.562 -2.548 -4.531 1.00 0.00 C ATOM 330 O6 DG B 11 -2.603 -3.066 -4.109 1.00 0.00 O ATOM 331 N1 DG B 11 -1.608 -1.291 -5.122 1.00 0.00 N ATOM 332 C2 DG B 11 -0.525 -0.615 -5.624 1.00 0.00 C ATOM 333 N2 DG B 11 -0.773 0.591 -6.146 1.00 0.00 N ATOM 334 N3 DG B 11 0.710 -1.084 -5.610 1.00 0.00 N ATOM 335 C4 DG B 11 0.779 -2.304 -5.038 1.00 0.00 C ATOM 0 H5' DG B 11 4.380 -4.966 -8.147 1.00 0.00 H new ATOM 0 H5'' DG B 11 6.100 -4.883 -7.818 1.00 0.00 H new ATOM 0 H4' DG B 11 5.429 -2.773 -7.388 1.00 0.00 H new ATOM 0 H3' DG B 11 6.252 -4.105 -5.069 1.00 0.00 H new ATOM 0 H2' DG B 11 4.099 -4.265 -4.024 1.00 0.00 H new ATOM 0 H2'' DG B 11 4.552 -2.651 -3.511 1.00 0.00 H new ATOM 0 H1' DG B 11 3.321 -1.602 -5.190 1.00 0.00 H new ATOM 0 H8 DG B 11 2.217 -5.000 -3.972 1.00 0.00 H new ATOM 0 H1 DG B 11 -2.518 -0.835 -5.188 1.00 0.00 H new ATOM 0 H21 DG B 11 -0.010 1.145 -6.536 1.00 0.00 H new ATOM 0 H22 DG B 11 -1.725 0.957 -6.154 1.00 0.00 H new ATOM 347 P DA B 12 7.198 -1.746 -3.978 1.00 0.00 P ATOM 348 OP1 DA B 12 8.617 -1.937 -4.376 1.00 0.00 O ATOM 349 OP2 DA B 12 6.664 -2.479 -2.802 1.00 0.00 O ATOM 350 O5' DA B 12 6.962 -0.188 -3.743 1.00 0.00 O ATOM 351 C5' DA B 12 6.969 0.731 -4.840 1.00 0.00 C ATOM 352 C4' DA B 12 6.196 1.980 -4.486 1.00 0.00 C ATOM 353 O4' DA B 12 4.803 1.631 -4.294 1.00 0.00 O ATOM 354 C3' DA B 12 6.638 2.677 -3.197 1.00 0.00 C ATOM 355 O3' DA B 12 6.533 4.099 -3.338 1.00 0.00 O ATOM 356 C2' DA B 12 5.654 2.166 -2.163 1.00 0.00 C ATOM 357 C1' DA B 12 4.390 1.931 -2.970 1.00 0.00 C ATOM 358 N9 DA B 12 3.580 0.814 -2.490 1.00 0.00 N ATOM 359 C8 DA B 12 4.041 -0.330 -1.897 1.00 0.00 C ATOM 360 N7 DA B 12 3.094 -1.173 -1.565 1.00 0.00 N ATOM 361 C5 DA B 12 1.928 -0.537 -1.965 1.00 0.00 C ATOM 362 C6 DA B 12 0.574 -0.906 -1.889 1.00 0.00 C ATOM 363 N6 DA B 12 0.149 -2.053 -1.358 1.00 0.00 N ATOM 364 N1 DA B 12 -0.342 -0.044 -2.380 1.00 0.00 N ATOM 365 C2 DA B 12 0.084 1.113 -2.906 1.00 0.00 C ATOM 366 N3 DA B 12 1.328 1.573 -3.032 1.00 0.00 N ATOM 367 C4 DA B 12 2.213 0.690 -2.537 1.00 0.00 C ATOM 0 H5' DA B 12 6.529 0.261 -5.719 1.00 0.00 H new ATOM 0 H5'' DA B 12 7.996 0.992 -5.098 1.00 0.00 H new ATOM 0 H4' DA B 12 6.376 2.665 -5.314 1.00 0.00 H new ATOM 0 H3' DA B 12 7.675 2.472 -2.932 1.00 0.00 H new ATOM 0 H2' DA B 12 6.006 1.249 -1.691 1.00 0.00 H new ATOM 0 H2'' DA B 12 5.494 2.893 -1.367 1.00 0.00 H new ATOM 0 H1' DA B 12 3.771 2.824 -2.891 1.00 0.00 H new ATOM 0 H8 DA B 12 5.089 -0.521 -1.719 1.00 0.00 H new ATOM 0 H61 DA B 12 -0.849 -2.264 -1.332 1.00 0.00 H new ATOM 0 H62 DA B 12 0.822 -2.719 -0.978 1.00 0.00 H new ATOM 0 H2 DA B 12 -0.691 1.765 -3.281 1.00 0.00 H new HETATM 379 P EDI B 13 7.177 5.063 -2.223 1.00 0.00 P HETATM 380 OP1 EDI B 13 8.136 5.957 -2.919 1.00 0.00 O HETATM 381 OP2 EDI B 13 7.644 4.237 -1.080 1.00 0.00 O HETATM 382 O5' EDI B 13 5.950 5.951 -1.727 1.00 0.00 O HETATM 383 C5' EDI B 13 5.364 6.938 -2.578 1.00 0.00 C HETATM 384 C4' EDI B 13 4.139 7.533 -1.923 1.00 0.00 C HETATM 385 O4' EDI B 13 3.209 6.468 -1.616 1.00 0.00 O HETATM 386 C3' EDI B 13 4.401 8.257 -0.603 1.00 0.00 C HETATM 387 O3' EDI B 13 3.520 9.379 -0.455 1.00 0.00 O HETATM 388 C2' EDI B 13 4.109 7.204 0.445 1.00 0.00 C HETATM 389 C1' EDI B 13 3.087 6.292 -0.212 1.00 0.00 C HETATM 390 N9 EDI B 13 3.306 4.883 0.084 1.00 0.00 N HETATM 391 C8 EDI B 13 4.517 4.254 0.194 1.00 0.00 C HETATM 392 N7 EDI B 13 4.417 2.982 0.466 1.00 0.00 N HETATM 393 C5 EDI B 13 3.049 2.757 0.541 1.00 0.00 C HETATM 394 C6 EDI B 13 2.328 1.567 0.807 1.00 0.00 C HETATM 395 O6 EDI B 13 2.774 0.435 1.037 1.00 0.00 O HETATM 396 N1 EDI B 13 0.951 1.785 0.790 1.00 0.00 N HETATM 397 C2 EDI B 13 0.353 2.998 0.546 1.00 0.00 C HETATM 398 N3 EDI B 13 1.015 4.115 0.297 1.00 0.00 N HETATM 399 C4 EDI B 13 2.349 3.922 0.309 1.00 0.00 C HETATM 400 C11 EDI B 13 0.065 -0.110 2.369 1.00 0.00 C HETATM 401 C12 EDI B 13 0.077 0.642 1.047 1.00 0.00 C ATOM 415 P DC B 14 3.588 10.283 0.877 1.00 0.00 P ATOM 416 OP1 DC B 14 3.305 11.682 0.467 1.00 0.00 O ATOM 417 OP2 DC B 14 4.845 9.973 1.605 1.00 0.00 O ATOM 418 O5' DC B 14 2.361 9.773 1.762 1.00 0.00 O ATOM 419 C5' DC B 14 1.260 9.093 1.161 1.00 0.00 C ATOM 420 C4' DC B 14 0.422 8.395 2.211 1.00 0.00 C ATOM 421 O4' DC B 14 0.806 7.002 2.238 1.00 0.00 O ATOM 422 C3' DC B 14 0.549 8.912 3.650 1.00 0.00 C ATOM 423 O3' DC B 14 -0.722 9.377 4.113 1.00 0.00 O ATOM 424 C2' DC B 14 0.999 7.709 4.467 1.00 0.00 C ATOM 425 C1' DC B 14 0.783 6.512 3.561 1.00 0.00 C ATOM 426 N1 DC B 14 1.808 5.459 3.667 1.00 0.00 N ATOM 427 C2 DC B 14 1.396 4.146 3.891 1.00 0.00 C ATOM 428 O2 DC B 14 0.188 3.911 4.024 1.00 0.00 O ATOM 429 N3 DC B 14 2.322 3.165 3.960 1.00 0.00 N ATOM 430 C4 DC B 14 3.616 3.456 3.820 1.00 0.00 C ATOM 431 N4 DC B 14 4.490 2.452 3.879 1.00 0.00 N ATOM 432 C5 DC B 14 4.068 4.790 3.608 1.00 0.00 C ATOM 433 C6 DC B 14 3.140 5.752 3.541 1.00 0.00 C ATOM 0 H5' DC B 14 1.627 8.364 0.439 1.00 0.00 H new ATOM 0 H5'' DC B 14 0.644 9.804 0.611 1.00 0.00 H new ATOM 0 H4' DC B 14 -0.608 8.584 1.911 1.00 0.00 H new ATOM 0 H3' DC B 14 1.249 9.743 3.730 1.00 0.00 H new ATOM 0 H2' DC B 14 2.046 7.799 4.758 1.00 0.00 H new ATOM 0 H2'' DC B 14 0.420 7.618 5.386 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.158 6.048 3.856 1.00 0.00 H new ATOM 0 H41 DC B 14 5.488 2.638 3.776 1.00 0.00 H new ATOM 0 H42 DC B 14 4.161 1.498 4.027 1.00 0.00 H new ATOM 0 H5 DC B 14 5.119 5.016 3.505 1.00 0.00 H new ATOM 0 H6 DC B 14 3.446 6.776 3.385 1.00 0.00 H new ATOM 445 P DT B 15 -0.816 10.217 5.482 1.00 0.00 P ATOM 446 OP1 DT B 15 -2.022 11.079 5.383 1.00 0.00 O ATOM 447 OP2 DT B 15 0.506 10.835 5.757 1.00 0.00 O ATOM 448 O5' DT B 15 -1.089 9.109 6.594 1.00 0.00 O ATOM 449 C5' DT B 15 -2.378 8.510 6.733 1.00 0.00 C ATOM 450 C4' DT B 15 -2.342 7.437 7.794 1.00 0.00 C ATOM 451 O4' DT B 15 -1.336 6.463 7.430 1.00 0.00 O ATOM 452 C3' DT B 15 -1.979 7.930 9.200 1.00 0.00 C ATOM 453 O3' DT B 15 -2.955 7.479 10.147 1.00 0.00 O ATOM 454 C2' DT B 15 -0.626 7.300 9.484 1.00 0.00 C ATOM 455 C1' DT B 15 -0.616 6.086 8.583 1.00 0.00 C ATOM 456 N1 DT B 15 0.721 5.636 8.160 1.00 0.00 N ATOM 457 C2 DT B 15 0.977 4.285 8.166 1.00 0.00 C ATOM 458 O2 DT B 15 0.153 3.451 8.502 1.00 0.00 O ATOM 459 N3 DT B 15 2.238 3.942 7.764 1.00 0.00 N ATOM 460 C4 DT B 15 3.250 4.791 7.374 1.00 0.00 C ATOM 461 O4 DT B 15 4.324 4.326 7.000 1.00 0.00 O ATOM 462 C5 DT B 15 2.921 6.199 7.404 1.00 0.00 C ATOM 463 C7 DT B 15 4.005 7.198 7.134 1.00 0.00 C ATOM 464 C6 DT B 15 1.681 6.551 7.777 1.00 0.00 C ATOM 0 H5' DT B 15 -2.692 8.081 5.782 1.00 0.00 H new ATOM 0 H5'' DT B 15 -3.113 9.270 6.998 1.00 0.00 H new ATOM 0 H4' DT B 15 -3.355 7.036 7.836 1.00 0.00 H new ATOM 0 H3' DT B 15 -1.951 9.017 9.271 1.00 0.00 H new ATOM 0 H2' DT B 15 0.192 7.981 9.251 1.00 0.00 H new ATOM 0 H2'' DT B 15 -0.522 7.024 10.533 1.00 0.00 H new ATOM 0 H1' DT B 15 -1.043 5.251 9.138 1.00 0.00 H new ATOM 0 H3 DT B 15 2.454 2.945 7.752 1.00 0.00 H new ATOM 0 H71 DT B 15 4.963 6.793 7.461 1.00 0.00 H new ATOM 0 H72 DT B 15 4.046 7.410 6.066 1.00 0.00 H new ATOM 0 H73 DT B 15 3.795 8.118 7.679 1.00 0.00 H new ATOM 0 H6 DT B 15 1.422 7.599 7.778 1.00 0.00 H new ATOM 477 P DG B 16 -2.821 7.895 11.695 1.00 0.00 P ATOM 478 OP1 DG B 16 -4.175 7.792 12.296 1.00 0.00 O ATOM 479 OP2 DG B 16 -2.080 9.179 11.776 1.00 0.00 O ATOM 480 O5' DG B 16 -1.905 6.752 12.322 1.00 0.00 O ATOM 481 C5' DG B 16 -2.456 5.487 12.699 1.00 0.00 C ATOM 482 C4' DG B 16 -1.596 4.838 13.758 1.00 0.00 C ATOM 483 O4' DG B 16 -0.447 4.237 13.114 1.00 0.00 O ATOM 484 C3' DG B 16 -1.048 5.795 14.820 1.00 0.00 C ATOM 485 O3' DG B 16 -1.177 5.233 16.129 1.00 0.00 O ATOM 486 C2' DG B 16 0.416 5.957 14.455 1.00 0.00 C ATOM 487 C1' DG B 16 0.747 4.659 13.745 1.00 0.00 C ATOM 488 N9 DG B 16 1.775 4.785 12.718 1.00 0.00 N ATOM 489 C8 DG B 16 2.049 5.897 11.964 1.00 0.00 C ATOM 490 N7 DG B 16 3.026 5.718 11.118 1.00 0.00 N ATOM 491 C5 DG B 16 3.424 4.403 11.328 1.00 0.00 C ATOM 492 C6 DG B 16 4.443 3.639 10.703 1.00 0.00 C ATOM 493 O6 DG B 16 5.227 3.983 9.812 1.00 0.00 O ATOM 494 N1 DG B 16 4.505 2.349 11.220 1.00 0.00 N ATOM 495 C2 DG B 16 3.690 1.858 12.209 1.00 0.00 C ATOM 496 N2 DG B 16 3.901 0.588 12.572 1.00 0.00 N ATOM 497 N3 DG B 16 2.738 2.558 12.800 1.00 0.00 N ATOM 498 C4 DG B 16 2.660 3.814 12.314 1.00 0.00 C ATOM 0 H5' DG B 16 -2.524 4.837 11.827 1.00 0.00 H new ATOM 0 H5'' DG B 16 -3.470 5.622 13.076 1.00 0.00 H new ATOM 0 H4' DG B 16 -2.246 4.124 14.263 1.00 0.00 H new ATOM 0 H3' DG B 16 -1.586 6.743 14.840 1.00 0.00 H new ATOM 0 H2' DG B 16 0.576 6.820 13.809 1.00 0.00 H new ATOM 0 H2'' DG B 16 1.037 6.101 15.339 1.00 0.00 H new ATOM 0 HO3' DG B 16 -0.819 5.861 16.791 1.00 0.00 H new ATOM 0 H1' DG B 16 1.135 3.959 14.485 1.00 0.00 H new ATOM 0 H8 DG B 16 1.510 6.828 12.061 1.00 0.00 H new ATOM 0 H1 DG B 16 5.210 1.720 10.835 1.00 0.00 H new ATOM 0 H21 DG B 16 3.328 0.164 13.302 1.00 0.00 H new ATOM 0 H22 DG B 16 4.635 0.043 12.119 1.00 0.00 H new TER 511 DG B 16