USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 188 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 150:sc= -0.0509 (180deg=0) USER MOD Set 1.2: B 16 DT C7 :methyl 150:sc= -0.0588 (180deg=-0.00912) USER MOD Set 2.1: A 8 DT C7 :methyl -30:sc= -0.256 (180deg=-0.689) USER MOD Set 2.2: B 12 DT C7 :methyl -30:sc= -0.413 (180deg=-0.445) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT O3' : rot 71:sc= 0.0411 USER MOD Single : B 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 9 DT O5' : rot 180:sc= 0 USER MOD Single : B 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 16 DT O3' : rot -53:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 10.432 -1.558 -10.683 1.00 0.00 O ATOM 2 C5' DT A 1 9.625 -1.643 -9.519 1.00 0.00 C ATOM 3 C4' DT A 1 9.435 -0.274 -8.870 1.00 0.00 C ATOM 4 O4' DT A 1 8.639 0.518 -9.725 1.00 0.00 O ATOM 5 C3' DT A 1 8.658 -0.407 -7.557 1.00 0.00 C ATOM 6 O3' DT A 1 9.279 0.357 -6.556 1.00 0.00 O ATOM 7 C2' DT A 1 7.316 0.217 -7.857 1.00 0.00 C ATOM 8 C1' DT A 1 7.690 1.219 -8.945 1.00 0.00 C ATOM 9 N1 DT A 1 6.564 1.692 -9.780 1.00 0.00 N ATOM 10 C2 DT A 1 6.856 2.325 -11.000 1.00 0.00 C ATOM 11 O2 DT A 1 7.977 2.610 -11.405 1.00 0.00 O ATOM 12 N3 DT A 1 5.784 2.695 -11.763 1.00 0.00 N ATOM 13 C4 DT A 1 4.462 2.581 -11.411 1.00 0.00 C ATOM 14 O4 DT A 1 3.616 2.969 -12.203 1.00 0.00 O ATOM 15 C5 DT A 1 4.232 1.996 -10.097 1.00 0.00 C ATOM 16 C7 DT A 1 2.825 1.778 -9.600 1.00 0.00 C ATOM 17 C6 DT A 1 5.272 1.596 -9.322 1.00 0.00 C ATOM 0 H5' DT A 1 10.086 -2.325 -8.804 1.00 0.00 H new ATOM 0 H5'' DT A 1 8.653 -2.062 -9.779 1.00 0.00 H new ATOM 0 H4' DT A 1 10.417 0.164 -8.690 1.00 0.00 H new ATOM 0 H3' DT A 1 8.598 -1.441 -7.217 1.00 0.00 H new ATOM 0 H2' DT A 1 6.590 -0.517 -8.206 1.00 0.00 H new ATOM 0 H2'' DT A 1 6.883 0.702 -6.982 1.00 0.00 H new ATOM 0 HO5' DT A 1 10.536 -2.450 -11.075 1.00 0.00 H new ATOM 0 H1' DT A 1 8.061 2.142 -8.499 1.00 0.00 H new ATOM 0 H3 DT A 1 5.985 3.093 -12.680 1.00 0.00 H new ATOM 0 H71 DT A 1 2.805 0.918 -8.931 1.00 0.00 H new ATOM 0 H72 DT A 1 2.488 2.664 -9.062 1.00 0.00 H new ATOM 0 H73 DT A 1 2.164 1.595 -10.447 1.00 0.00 H new ATOM 0 H6 DT A 1 5.082 1.198 -8.336 1.00 0.00 H new ATOM 31 P DG A 2 10.431 -0.284 -5.649 1.00 0.00 P ATOM 32 OP1 DG A 2 11.468 0.743 -5.423 1.00 0.00 O ATOM 33 OP2 DG A 2 10.788 -1.604 -6.212 1.00 0.00 O ATOM 34 O5' DG A 2 9.591 -0.506 -4.299 1.00 0.00 O ATOM 35 C5' DG A 2 9.506 0.543 -3.355 1.00 0.00 C ATOM 36 C4' DG A 2 8.626 0.197 -2.155 1.00 0.00 C ATOM 37 O4' DG A 2 7.294 0.577 -2.398 1.00 0.00 O ATOM 38 C3' DG A 2 8.682 -1.260 -1.688 1.00 0.00 C ATOM 39 O3' DG A 2 8.814 -1.275 -0.268 1.00 0.00 O ATOM 40 C2' DG A 2 7.337 -1.752 -2.196 1.00 0.00 C ATOM 41 C1' DG A 2 6.451 -0.511 -2.128 1.00 0.00 C ATOM 42 N9 DG A 2 5.478 -0.443 -3.217 1.00 0.00 N ATOM 43 C8 DG A 2 5.762 -0.572 -4.539 1.00 0.00 C ATOM 44 N7 DG A 2 4.743 -0.370 -5.335 1.00 0.00 N ATOM 45 C5 DG A 2 3.721 0.012 -4.447 1.00 0.00 C ATOM 46 C6 DG A 2 2.367 0.465 -4.661 1.00 0.00 C ATOM 47 O6 DG A 2 1.717 0.578 -5.697 1.00 0.00 O ATOM 48 N1 DG A 2 1.736 0.869 -3.502 1.00 0.00 N ATOM 49 C2 DG A 2 2.296 0.801 -2.271 1.00 0.00 C ATOM 50 N2 DG A 2 1.596 1.308 -1.295 1.00 0.00 N ATOM 51 N3 DG A 2 3.510 0.327 -2.013 1.00 0.00 N ATOM 52 C4 DG A 2 4.181 -0.023 -3.147 1.00 0.00 C ATOM 0 H5' DG A 2 9.110 1.433 -3.844 1.00 0.00 H new ATOM 0 H5'' DG A 2 10.508 0.791 -3.004 1.00 0.00 H new ATOM 0 H4' DG A 2 9.048 0.771 -1.330 1.00 0.00 H new ATOM 0 H3' DG A 2 9.509 -1.875 -2.043 1.00 0.00 H new ATOM 0 H2' DG A 2 7.409 -2.138 -3.213 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.945 -2.559 -1.576 1.00 0.00 H new ATOM 0 H1' DG A 2 5.944 -0.520 -1.163 1.00 0.00 H new ATOM 0 H8 DG A 2 6.748 -0.821 -4.903 1.00 0.00 H new ATOM 0 H1 DG A 2 0.790 1.242 -3.577 1.00 0.00 H new ATOM 0 H21 DG A 2 1.960 1.289 -0.343 1.00 0.00 H new ATOM 0 H22 DG A 2 0.684 1.724 -1.484 1.00 0.00 H new ATOM 64 P DC A 3 8.890 -2.636 0.590 1.00 0.00 P ATOM 65 OP1 DC A 3 9.529 -2.262 1.879 1.00 0.00 O ATOM 66 OP2 DC A 3 9.491 -3.684 -0.253 1.00 0.00 O ATOM 67 O5' DC A 3 7.355 -2.996 0.865 1.00 0.00 O ATOM 68 C5' DC A 3 6.558 -2.280 1.795 1.00 0.00 C ATOM 69 C4' DC A 3 5.140 -2.856 1.801 1.00 0.00 C ATOM 70 O4' DC A 3 4.463 -2.476 0.629 1.00 0.00 O ATOM 71 C3' DC A 3 5.093 -4.383 1.876 1.00 0.00 C ATOM 72 O3' DC A 3 4.808 -4.811 3.196 1.00 0.00 O ATOM 73 C2' DC A 3 3.952 -4.742 0.935 1.00 0.00 C ATOM 74 C1' DC A 3 3.423 -3.408 0.432 1.00 0.00 C ATOM 75 N1 DC A 3 3.118 -3.432 -1.014 1.00 0.00 N ATOM 76 C2 DC A 3 1.812 -3.252 -1.486 1.00 0.00 C ATOM 77 O2 DC A 3 0.854 -3.204 -0.728 1.00 0.00 O ATOM 78 N3 DC A 3 1.574 -3.048 -2.804 1.00 0.00 N ATOM 79 C4 DC A 3 2.600 -3.074 -3.631 1.00 0.00 C ATOM 80 N4 DC A 3 2.369 -2.750 -4.870 1.00 0.00 N ATOM 81 C5 DC A 3 3.937 -3.306 -3.206 1.00 0.00 C ATOM 82 C6 DC A 3 4.161 -3.474 -1.891 1.00 0.00 C ATOM 0 H5' DC A 3 6.532 -1.223 1.530 1.00 0.00 H new ATOM 0 H5'' DC A 3 6.994 -2.348 2.792 1.00 0.00 H new ATOM 0 H4' DC A 3 4.669 -2.456 2.699 1.00 0.00 H new ATOM 0 H3' DC A 3 6.037 -4.855 1.605 1.00 0.00 H new ATOM 0 H2' DC A 3 4.301 -5.364 0.111 1.00 0.00 H new ATOM 0 H2'' DC A 3 3.175 -5.305 1.453 1.00 0.00 H new ATOM 0 H1' DC A 3 2.503 -3.165 0.964 1.00 0.00 H new ATOM 0 H41 DC A 3 3.130 -2.755 -5.549 1.00 0.00 H new ATOM 0 H42 DC A 3 1.427 -2.491 -5.162 1.00 0.00 H new ATOM 0 H5 DC A 3 4.748 -3.346 -3.918 1.00 0.00 H new ATOM 0 H6 DC A 3 5.165 -3.642 -1.530 1.00 0.00 H new ATOM 94 P DT A 4 5.977 -5.206 4.242 1.00 0.00 P ATOM 95 OP1 DT A 4 7.277 -5.227 3.527 1.00 0.00 O ATOM 96 OP2 DT A 4 5.541 -6.412 4.969 1.00 0.00 O ATOM 97 O5' DT A 4 6.193 -3.997 5.296 1.00 0.00 O ATOM 98 C5' DT A 4 5.278 -2.934 5.535 1.00 0.00 C ATOM 99 C4' DT A 4 3.982 -3.268 6.291 1.00 0.00 C ATOM 100 O4' DT A 4 2.892 -3.501 5.452 1.00 0.00 O ATOM 101 C3' DT A 4 3.992 -4.468 7.234 1.00 0.00 C ATOM 102 O3' DT A 4 4.703 -4.342 8.463 1.00 0.00 O ATOM 103 C2' DT A 4 2.497 -4.692 7.419 1.00 0.00 C ATOM 104 C1' DT A 4 1.829 -3.877 6.320 1.00 0.00 C ATOM 105 N1 DT A 4 0.771 -4.643 5.634 1.00 0.00 N ATOM 106 C2 DT A 4 -0.411 -4.938 6.320 1.00 0.00 C ATOM 107 O2 DT A 4 -0.601 -4.691 7.507 1.00 0.00 O ATOM 108 N3 DT A 4 -1.395 -5.550 5.583 1.00 0.00 N ATOM 109 C4 DT A 4 -1.329 -5.866 4.244 1.00 0.00 C ATOM 110 O4 DT A 4 -2.300 -6.396 3.718 1.00 0.00 O ATOM 111 C5 DT A 4 -0.059 -5.530 3.604 1.00 0.00 C ATOM 112 C7 DT A 4 0.165 -5.783 2.135 1.00 0.00 C ATOM 113 C6 DT A 4 0.940 -4.955 4.316 1.00 0.00 C ATOM 0 H5' DT A 4 5.004 -2.504 4.572 1.00 0.00 H new ATOM 0 H5'' DT A 4 5.802 -2.158 6.093 1.00 0.00 H new ATOM 0 H4' DT A 4 3.897 -2.355 6.881 1.00 0.00 H new ATOM 0 H3' DT A 4 4.553 -5.303 6.814 1.00 0.00 H new ATOM 0 H2' DT A 4 2.244 -5.749 7.334 1.00 0.00 H new ATOM 0 H2'' DT A 4 2.169 -4.365 8.406 1.00 0.00 H new ATOM 0 H1' DT A 4 1.310 -3.002 6.711 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.256 -5.793 6.073 1.00 0.00 H new ATOM 0 H71 DT A 4 0.864 -5.045 1.741 1.00 0.00 H new ATOM 0 H72 DT A 4 0.576 -6.783 1.997 1.00 0.00 H new ATOM 0 H73 DT A 4 -0.783 -5.704 1.603 1.00 0.00 H new ATOM 0 H6 DT A 4 1.883 -4.741 3.834 1.00 0.00 H new ATOM 126 P DT A 5 4.675 -3.041 9.425 1.00 0.00 P ATOM 127 OP1 DT A 5 5.274 -3.419 10.724 1.00 0.00 O ATOM 128 OP2 DT A 5 3.346 -2.391 9.371 1.00 0.00 O ATOM 129 O5' DT A 5 5.709 -2.077 8.664 1.00 0.00 O ATOM 130 C5' DT A 5 7.100 -2.297 8.760 1.00 0.00 C ATOM 131 C4' DT A 5 7.882 -1.245 7.969 1.00 0.00 C ATOM 132 O4' DT A 5 7.458 0.052 8.333 1.00 0.00 O ATOM 133 C3' DT A 5 9.373 -1.362 8.336 1.00 0.00 C ATOM 134 O3' DT A 5 10.289 -1.049 7.307 1.00 0.00 O ATOM 135 C2' DT A 5 9.583 -0.284 9.381 1.00 0.00 C ATOM 136 C1' DT A 5 8.497 0.723 8.999 1.00 0.00 C ATOM 137 N1 DT A 5 7.900 1.393 10.159 1.00 0.00 N ATOM 138 C2 DT A 5 7.718 2.772 10.099 1.00 0.00 C ATOM 139 O2 DT A 5 8.018 3.456 9.126 1.00 0.00 O ATOM 140 N3 DT A 5 7.169 3.355 11.211 1.00 0.00 N ATOM 141 C4 DT A 5 6.773 2.693 12.352 1.00 0.00 C ATOM 142 O4 DT A 5 6.303 3.349 13.270 1.00 0.00 O ATOM 143 C5 DT A 5 6.947 1.244 12.313 1.00 0.00 C ATOM 144 C7 DT A 5 6.517 0.375 13.466 1.00 0.00 C ATOM 145 C6 DT A 5 7.486 0.645 11.227 1.00 0.00 C ATOM 0 H5' DT A 5 7.340 -3.292 8.384 1.00 0.00 H new ATOM 0 H5'' DT A 5 7.404 -2.269 9.806 1.00 0.00 H new ATOM 0 H4' DT A 5 7.717 -1.408 6.904 1.00 0.00 H new ATOM 0 H3' DT A 5 9.559 -2.398 8.621 1.00 0.00 H new ATOM 0 H2' DT A 5 9.453 -0.664 10.394 1.00 0.00 H new ATOM 0 H2'' DT A 5 10.582 0.150 9.329 1.00 0.00 H new ATOM 0 H1' DT A 5 8.980 1.474 8.373 1.00 0.00 H new ATOM 0 H3 DT A 5 7.043 4.367 11.192 1.00 0.00 H new ATOM 0 H71 DT A 5 6.225 -0.607 13.093 1.00 0.00 H new ATOM 0 H72 DT A 5 7.344 0.266 14.167 1.00 0.00 H new ATOM 0 H73 DT A 5 5.670 0.837 13.973 1.00 0.00 H new ATOM 0 H6 DT A 5 7.590 -0.430 11.203 1.00 0.00 H new ATOM 158 P DC A 6 10.435 -1.869 5.942 1.00 0.00 P ATOM 159 OP1 DC A 6 10.102 -3.299 6.169 1.00 0.00 O ATOM 160 OP2 DC A 6 11.740 -1.552 5.348 1.00 0.00 O ATOM 161 O5' DC A 6 9.278 -1.266 5.012 1.00 0.00 O ATOM 162 C5' DC A 6 9.137 0.143 4.870 1.00 0.00 C ATOM 163 C4' DC A 6 7.928 0.509 4.012 1.00 0.00 C ATOM 164 O4' DC A 6 6.736 -0.085 4.460 1.00 0.00 O ATOM 165 C3' DC A 6 7.644 2.011 4.110 1.00 0.00 C ATOM 166 O3' DC A 6 8.483 2.892 3.370 1.00 0.00 O ATOM 167 C2' DC A 6 6.144 2.111 3.869 1.00 0.00 C ATOM 168 C1' DC A 6 5.687 0.651 3.860 1.00 0.00 C ATOM 169 N1 DC A 6 4.483 0.436 4.683 1.00 0.00 N ATOM 170 C2 DC A 6 3.322 -0.083 4.107 1.00 0.00 C ATOM 171 O2 DC A 6 3.252 -0.367 2.912 1.00 0.00 O ATOM 172 N3 DC A 6 2.240 -0.312 4.886 1.00 0.00 N ATOM 173 C4 DC A 6 2.301 -0.040 6.179 1.00 0.00 C ATOM 174 N4 DC A 6 1.239 -0.336 6.878 1.00 0.00 N ATOM 175 C5 DC A 6 3.477 0.446 6.820 1.00 0.00 C ATOM 176 C6 DC A 6 4.554 0.664 6.029 1.00 0.00 C ATOM 0 H5' DC A 6 10.040 0.555 4.420 1.00 0.00 H new ATOM 0 H5'' DC A 6 9.035 0.599 5.855 1.00 0.00 H new ATOM 0 H4' DC A 6 8.185 0.171 3.008 1.00 0.00 H new ATOM 0 H3' DC A 6 7.922 2.402 5.089 1.00 0.00 H new ATOM 0 H2' DC A 6 5.648 2.682 4.654 1.00 0.00 H new ATOM 0 H2'' DC A 6 5.921 2.607 2.925 1.00 0.00 H new ATOM 0 H1' DC A 6 5.456 0.353 2.837 1.00 0.00 H new ATOM 0 H41 DC A 6 1.221 -0.152 7.881 1.00 0.00 H new ATOM 0 H42 DC A 6 0.427 -0.752 6.421 1.00 0.00 H new ATOM 0 H5 DC A 6 3.508 0.631 7.884 1.00 0.00 H new ATOM 0 H6 DC A 6 5.476 1.021 6.465 1.00 0.00 H new ATOM 188 P DG A 7 8.740 2.866 1.770 1.00 0.00 P ATOM 189 OP1 DG A 7 9.043 1.470 1.370 1.00 0.00 O ATOM 190 OP2 DG A 7 9.731 3.917 1.478 1.00 0.00 O ATOM 191 O5' DG A 7 7.313 3.297 1.173 1.00 0.00 O ATOM 192 C5' DG A 7 6.774 2.748 -0.022 1.00 0.00 C ATOM 193 C4' DG A 7 5.362 3.297 -0.287 1.00 0.00 C ATOM 194 O4' DG A 7 4.464 2.634 0.582 1.00 0.00 O ATOM 195 C3' DG A 7 5.187 4.805 -0.013 1.00 0.00 C ATOM 196 O3' DG A 7 5.127 5.678 -1.131 1.00 0.00 O ATOM 197 C2' DG A 7 3.786 4.885 0.578 1.00 0.00 C ATOM 198 C1' DG A 7 3.318 3.440 0.681 1.00 0.00 C ATOM 199 N9 DG A 7 2.685 3.184 1.981 1.00 0.00 N ATOM 200 C8 DG A 7 3.173 3.494 3.219 1.00 0.00 C ATOM 201 N7 DG A 7 2.384 3.165 4.206 1.00 0.00 N ATOM 202 C5 DG A 7 1.274 2.615 3.552 1.00 0.00 C ATOM 203 C6 DG A 7 0.033 2.106 4.053 1.00 0.00 C ATOM 204 O6 DG A 7 -0.320 1.991 5.223 1.00 0.00 O ATOM 205 N1 DG A 7 -0.869 1.759 3.057 1.00 0.00 N ATOM 206 C2 DG A 7 -0.583 1.775 1.725 1.00 0.00 C ATOM 207 N2 DG A 7 -1.521 1.358 0.895 1.00 0.00 N ATOM 208 N3 DG A 7 0.574 2.221 1.238 1.00 0.00 N ATOM 209 C4 DG A 7 1.450 2.638 2.191 1.00 0.00 C ATOM 0 H5' DG A 7 6.738 1.661 0.056 1.00 0.00 H new ATOM 0 H5'' DG A 7 7.425 2.986 -0.863 1.00 0.00 H new ATOM 0 H4' DG A 7 5.175 3.130 -1.348 1.00 0.00 H new ATOM 0 H3' DG A 7 6.050 5.120 0.574 1.00 0.00 H new ATOM 0 H2' DG A 7 3.797 5.367 1.556 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.122 5.470 -0.058 1.00 0.00 H new ATOM 0 H1' DG A 7 2.591 3.229 -0.103 1.00 0.00 H new ATOM 0 H8 DG A 7 4.130 3.971 3.369 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.806 1.474 3.340 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.348 1.354 -0.110 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.419 1.040 1.259 1.00 0.00 H new ATOM 221 P DT A 8 6.226 5.770 -2.299 1.00 0.00 P ATOM 222 OP1 DT A 8 7.504 5.191 -1.851 1.00 0.00 O ATOM 223 OP2 DT A 8 6.179 7.133 -2.869 1.00 0.00 O ATOM 224 O5' DT A 8 5.530 4.774 -3.353 1.00 0.00 O ATOM 225 C5' DT A 8 6.173 3.628 -3.889 1.00 0.00 C ATOM 226 C4' DT A 8 5.482 3.264 -5.209 1.00 0.00 C ATOM 227 O4' DT A 8 4.143 2.886 -4.966 1.00 0.00 O ATOM 228 C3' DT A 8 5.451 4.446 -6.181 1.00 0.00 C ATOM 229 O3' DT A 8 6.427 4.294 -7.197 1.00 0.00 O ATOM 230 C2' DT A 8 4.064 4.406 -6.798 1.00 0.00 C ATOM 231 C1' DT A 8 3.286 3.380 -5.981 1.00 0.00 C ATOM 232 N1 DT A 8 2.085 4.013 -5.400 1.00 0.00 N ATOM 233 C2 DT A 8 0.935 4.103 -6.186 1.00 0.00 C ATOM 234 O2 DT A 8 0.864 3.693 -7.340 1.00 0.00 O ATOM 235 N3 DT A 8 -0.153 4.705 -5.600 1.00 0.00 N ATOM 236 C4 DT A 8 -0.216 5.181 -4.309 1.00 0.00 C ATOM 237 O4 DT A 8 -1.284 5.628 -3.906 1.00 0.00 O ATOM 238 C5 DT A 8 1.037 5.084 -3.566 1.00 0.00 C ATOM 239 C7 DT A 8 1.138 5.559 -2.139 1.00 0.00 C ATOM 240 C6 DT A 8 2.137 4.536 -4.136 1.00 0.00 C ATOM 0 H5' DT A 8 6.114 2.796 -3.187 1.00 0.00 H new ATOM 0 H5'' DT A 8 7.231 3.829 -4.057 1.00 0.00 H new ATOM 0 H4' DT A 8 6.053 2.446 -5.648 1.00 0.00 H new ATOM 0 H3' DT A 8 5.663 5.387 -5.674 1.00 0.00 H new ATOM 0 H2' DT A 8 3.587 5.385 -6.756 1.00 0.00 H new ATOM 0 H2'' DT A 8 4.110 4.119 -7.848 1.00 0.00 H new ATOM 0 HO3' DT A 8 6.160 3.570 -7.801 1.00 0.00 H new ATOM 0 H1' DT A 8 2.955 2.554 -6.611 1.00 0.00 H new ATOM 0 H3 DT A 8 -0.990 4.809 -6.174 1.00 0.00 H new ATOM 0 H71 DT A 8 0.440 6.380 -1.979 1.00 0.00 H new ATOM 0 H72 DT A 8 0.894 4.738 -1.464 1.00 0.00 H new ATOM 0 H73 DT A 8 2.153 5.902 -1.941 1.00 0.00 H new ATOM 0 H6 DT A 8 3.066 4.511 -3.586 1.00 0.00 H new TER 254 DT A 8 ATOM 255 O5' DT B 9 -8.011 -0.779 -11.343 1.00 0.00 O ATOM 256 C5' DT B 9 -8.411 -2.127 -11.120 1.00 0.00 C ATOM 257 C4' DT B 9 -7.304 -3.000 -10.512 1.00 0.00 C ATOM 258 O4' DT B 9 -6.238 -3.099 -11.436 1.00 0.00 O ATOM 259 C3' DT B 9 -6.720 -2.426 -9.214 1.00 0.00 C ATOM 260 O3' DT B 9 -6.599 -3.419 -8.212 1.00 0.00 O ATOM 261 C2' DT B 9 -5.319 -2.018 -9.627 1.00 0.00 C ATOM 262 C1' DT B 9 -5.014 -3.032 -10.731 1.00 0.00 C ATOM 263 N1 DT B 9 -3.891 -2.684 -11.639 1.00 0.00 N ATOM 264 C2 DT B 9 -3.764 -3.373 -12.856 1.00 0.00 C ATOM 265 O2 DT B 9 -4.463 -4.315 -13.212 1.00 0.00 O ATOM 266 N3 DT B 9 -2.740 -2.973 -13.675 1.00 0.00 N ATOM 267 C4 DT B 9 -1.773 -2.044 -13.374 1.00 0.00 C ATOM 268 O4 DT B 9 -0.905 -1.817 -14.205 1.00 0.00 O ATOM 269 C5 DT B 9 -1.902 -1.449 -12.046 1.00 0.00 C ATOM 270 C7 DT B 9 -0.895 -0.454 -11.518 1.00 0.00 C ATOM 271 C6 DT B 9 -2.930 -1.792 -11.232 1.00 0.00 C ATOM 0 H5' DT B 9 -8.730 -2.565 -12.066 1.00 0.00 H new ATOM 0 H5'' DT B 9 -9.276 -2.136 -10.457 1.00 0.00 H new ATOM 0 H4' DT B 9 -7.761 -3.964 -10.287 1.00 0.00 H new ATOM 0 H3' DT B 9 -7.342 -1.628 -8.808 1.00 0.00 H new ATOM 0 H2' DT B 9 -5.282 -0.992 -9.992 1.00 0.00 H new ATOM 0 H2'' DT B 9 -4.612 -2.088 -8.800 1.00 0.00 H new ATOM 0 HO5' DT B 9 -8.757 -0.276 -11.732 1.00 0.00 H new ATOM 0 H1' DT B 9 -4.672 -3.973 -10.301 1.00 0.00 H new ATOM 0 H3 DT B 9 -2.691 -3.407 -14.597 1.00 0.00 H new ATOM 0 H71 DT B 9 -1.389 0.234 -10.831 1.00 0.00 H new ATOM 0 H72 DT B 9 -0.101 -0.984 -10.992 1.00 0.00 H new ATOM 0 H73 DT B 9 -0.468 0.107 -12.349 1.00 0.00 H new ATOM 0 H6 DT B 9 -2.994 -1.356 -10.246 1.00 0.00 H new ATOM 285 P DG B 10 -7.819 -3.799 -7.250 1.00 0.00 P ATOM 286 OP1 DG B 10 -7.535 -5.151 -6.692 1.00 0.00 O ATOM 287 OP2 DG B 10 -9.094 -3.522 -7.943 1.00 0.00 O ATOM 288 O5' DG B 10 -7.665 -2.783 -6.024 1.00 0.00 O ATOM 289 C5' DG B 10 -7.827 -1.380 -6.151 1.00 0.00 C ATOM 290 C4' DG B 10 -7.694 -0.770 -4.752 1.00 0.00 C ATOM 291 O4' DG B 10 -6.470 -1.123 -4.136 1.00 0.00 O ATOM 292 C3' DG B 10 -7.819 0.744 -4.687 1.00 0.00 C ATOM 293 O3' DG B 10 -8.434 1.067 -3.447 1.00 0.00 O ATOM 294 C2' DG B 10 -6.359 1.151 -4.748 1.00 0.00 C ATOM 295 C1' DG B 10 -5.619 -0.005 -4.073 1.00 0.00 C ATOM 296 N9 DG B 10 -4.407 -0.411 -4.794 1.00 0.00 N ATOM 297 C8 DG B 10 -4.287 -0.565 -6.139 1.00 0.00 C ATOM 298 N7 DG B 10 -3.120 -0.995 -6.537 1.00 0.00 N ATOM 299 C5 DG B 10 -2.433 -1.211 -5.331 1.00 0.00 C ATOM 300 C6 DG B 10 -1.123 -1.749 -5.046 1.00 0.00 C ATOM 301 O6 DG B 10 -0.230 -2.132 -5.799 1.00 0.00 O ATOM 302 N1 DG B 10 -0.862 -1.859 -3.697 1.00 0.00 N ATOM 303 C2 DG B 10 -1.706 -1.446 -2.719 1.00 0.00 C ATOM 304 N2 DG B 10 -1.305 -1.649 -1.492 1.00 0.00 N ATOM 305 N3 DG B 10 -2.903 -0.901 -2.932 1.00 0.00 N ATOM 306 C4 DG B 10 -3.220 -0.840 -4.259 1.00 0.00 C ATOM 0 H5' DG B 10 -8.801 -1.144 -6.581 1.00 0.00 H new ATOM 0 H5'' DG B 10 -7.074 -0.967 -6.822 1.00 0.00 H new ATOM 0 H4' DG B 10 -8.545 -1.196 -4.220 1.00 0.00 H new ATOM 0 H3' DG B 10 -8.416 1.232 -5.457 1.00 0.00 H new ATOM 0 H2' DG B 10 -6.027 1.290 -5.777 1.00 0.00 H new ATOM 0 H2'' DG B 10 -6.186 2.093 -4.227 1.00 0.00 H new ATOM 0 H1' DG B 10 -5.349 0.320 -3.068 1.00 0.00 H new ATOM 0 H8 DG B 10 -5.093 -0.349 -6.824 1.00 0.00 H new ATOM 0 H1 DG B 10 0.024 -2.279 -3.416 1.00 0.00 H new ATOM 0 H21 DG B 10 -1.893 -1.362 -0.709 1.00 0.00 H new ATOM 0 H22 DG B 10 -0.404 -2.095 -1.317 1.00 0.00 H new ATOM 318 P DC B 11 -8.685 2.586 -2.955 1.00 0.00 P ATOM 319 OP1 DC B 11 -9.836 2.617 -2.027 1.00 0.00 O ATOM 320 OP2 DC B 11 -8.673 3.449 -4.157 1.00 0.00 O ATOM 321 O5' DC B 11 -7.339 2.882 -2.115 1.00 0.00 O ATOM 322 C5' DC B 11 -7.088 2.269 -0.857 1.00 0.00 C ATOM 323 C4' DC B 11 -5.730 2.724 -0.319 1.00 0.00 C ATOM 324 O4' DC B 11 -4.725 2.157 -1.132 1.00 0.00 O ATOM 325 C3' DC B 11 -5.542 4.246 -0.319 1.00 0.00 C ATOM 326 O3' DC B 11 -5.488 4.766 0.998 1.00 0.00 O ATOM 327 C2' DC B 11 -4.153 4.406 -0.911 1.00 0.00 C ATOM 328 C1' DC B 11 -3.603 3.000 -1.058 1.00 0.00 C ATOM 329 N1 DC B 11 -2.832 2.856 -2.313 1.00 0.00 N ATOM 330 C2 DC B 11 -1.459 2.596 -2.304 1.00 0.00 C ATOM 331 O2 DC B 11 -0.787 2.747 -1.299 1.00 0.00 O ATOM 332 N3 DC B 11 -0.827 2.113 -3.399 1.00 0.00 N ATOM 333 C4 DC B 11 -1.534 1.991 -4.501 1.00 0.00 C ATOM 334 N4 DC B 11 -0.941 1.450 -5.526 1.00 0.00 N ATOM 335 C5 DC B 11 -2.896 2.393 -4.599 1.00 0.00 C ATOM 336 C6 DC B 11 -3.514 2.831 -3.489 1.00 0.00 C ATOM 0 H5' DC B 11 -7.103 1.184 -0.962 1.00 0.00 H new ATOM 0 H5'' DC B 11 -7.876 2.532 -0.151 1.00 0.00 H new ATOM 0 H4' DC B 11 -5.671 2.396 0.719 1.00 0.00 H new ATOM 0 H3' DC B 11 -6.351 4.753 -0.845 1.00 0.00 H new ATOM 0 H2' DC B 11 -4.195 4.913 -1.875 1.00 0.00 H new ATOM 0 H2'' DC B 11 -3.518 5.009 -0.262 1.00 0.00 H new ATOM 0 H1' DC B 11 -2.940 2.762 -0.226 1.00 0.00 H new ATOM 0 H41 DC B 11 -1.446 1.333 -6.404 1.00 0.00 H new ATOM 0 H42 DC B 11 0.029 1.143 -5.451 1.00 0.00 H new ATOM 0 H5 DC B 11 -3.420 2.347 -5.542 1.00 0.00 H new ATOM 0 H6 DC B 11 -4.542 3.160 -3.531 1.00 0.00 H new ATOM 348 P DT B 12 -6.800 5.171 1.835 1.00 0.00 P ATOM 349 OP1 DT B 12 -7.892 4.207 1.568 1.00 0.00 O ATOM 350 OP2 DT B 12 -7.037 6.618 1.669 1.00 0.00 O ATOM 351 O5' DT B 12 -6.248 4.896 3.309 1.00 0.00 O ATOM 352 C5' DT B 12 -6.052 3.586 3.826 1.00 0.00 C ATOM 353 C4' DT B 12 -4.939 3.620 4.882 1.00 0.00 C ATOM 354 O4' DT B 12 -3.666 3.560 4.303 1.00 0.00 O ATOM 355 C3' DT B 12 -4.962 4.849 5.779 1.00 0.00 C ATOM 356 O3' DT B 12 -5.831 4.647 6.873 1.00 0.00 O ATOM 357 C2' DT B 12 -3.514 4.908 6.222 1.00 0.00 C ATOM 358 C1' DT B 12 -2.724 4.063 5.232 1.00 0.00 C ATOM 359 N1 DT B 12 -1.680 4.857 4.541 1.00 0.00 N ATOM 360 C2 DT B 12 -0.547 5.257 5.255 1.00 0.00 C ATOM 361 O2 DT B 12 -0.391 5.096 6.465 1.00 0.00 O ATOM 362 N3 DT B 12 0.448 5.858 4.524 1.00 0.00 N ATOM 363 C4 DT B 12 0.434 6.088 3.169 1.00 0.00 C ATOM 364 O4 DT B 12 1.420 6.595 2.652 1.00 0.00 O ATOM 365 C5 DT B 12 -0.796 5.689 2.503 1.00 0.00 C ATOM 366 C7 DT B 12 -0.945 5.885 1.016 1.00 0.00 C ATOM 367 C6 DT B 12 -1.810 5.113 3.204 1.00 0.00 C ATOM 0 H5' DT B 12 -5.785 2.901 3.021 1.00 0.00 H new ATOM 0 H5'' DT B 12 -6.977 3.214 4.267 1.00 0.00 H new ATOM 0 H4' DT B 12 -5.140 2.738 5.490 1.00 0.00 H new ATOM 0 H3' DT B 12 -5.317 5.762 5.301 1.00 0.00 H new ATOM 0 H2' DT B 12 -3.152 5.936 6.230 1.00 0.00 H new ATOM 0 H2'' DT B 12 -3.403 4.523 7.236 1.00 0.00 H new ATOM 0 H1' DT B 12 -2.199 3.259 5.748 1.00 0.00 H new ATOM 0 H3 DT B 12 1.276 6.163 5.035 1.00 0.00 H new ATOM 0 H71 DT B 12 -0.359 6.749 0.702 1.00 0.00 H new ATOM 0 H72 DT B 12 -0.589 4.996 0.494 1.00 0.00 H new ATOM 0 H73 DT B 12 -1.995 6.052 0.774 1.00 0.00 H new ATOM 0 H6 DT B 12 -2.729 4.855 2.698 1.00 0.00 H new ATOM 380 P DT B 13 -6.314 5.884 7.778 1.00 0.00 P ATOM 381 OP1 DT B 13 -6.839 6.956 6.902 1.00 0.00 O ATOM 382 OP2 DT B 13 -5.256 6.185 8.764 1.00 0.00 O ATOM 383 O5' DT B 13 -7.563 5.225 8.522 1.00 0.00 O ATOM 384 C5' DT B 13 -8.731 4.894 7.796 1.00 0.00 C ATOM 385 C4' DT B 13 -8.899 3.388 7.798 1.00 0.00 C ATOM 386 O4' DT B 13 -9.228 2.985 9.094 1.00 0.00 O ATOM 387 C3' DT B 13 -10.087 2.963 6.954 1.00 0.00 C ATOM 388 O3' DT B 13 -9.718 2.762 5.621 1.00 0.00 O ATOM 389 C2' DT B 13 -10.464 1.635 7.582 1.00 0.00 C ATOM 390 C1' DT B 13 -9.923 1.773 9.006 1.00 0.00 C ATOM 391 N1 DT B 13 -10.897 1.825 10.100 1.00 0.00 N ATOM 392 C2 DT B 13 -10.400 1.548 11.378 1.00 0.00 C ATOM 393 O2 DT B 13 -9.228 1.272 11.620 1.00 0.00 O ATOM 394 N3 DT B 13 -11.314 1.539 12.395 1.00 0.00 N ATOM 395 C4 DT B 13 -12.665 1.735 12.245 1.00 0.00 C ATOM 396 O4 DT B 13 -13.377 1.674 13.234 1.00 0.00 O ATOM 397 C5 DT B 13 -13.099 2.041 10.890 1.00 0.00 C ATOM 398 C7 DT B 13 -14.541 2.342 10.608 1.00 0.00 C ATOM 399 C6 DT B 13 -12.220 2.116 9.875 1.00 0.00 C ATOM 0 H5' DT B 13 -8.657 5.264 6.773 1.00 0.00 H new ATOM 0 H5'' DT B 13 -9.602 5.371 8.245 1.00 0.00 H new ATOM 0 H4' DT B 13 -7.973 2.954 7.420 1.00 0.00 H new ATOM 0 H3' DT B 13 -10.886 3.704 6.938 1.00 0.00 H new ATOM 0 H2' DT B 13 -11.542 1.473 7.572 1.00 0.00 H new ATOM 0 H2'' DT B 13 -10.011 0.795 7.056 1.00 0.00 H new ATOM 0 H1' DT B 13 -9.338 0.864 9.142 1.00 0.00 H new ATOM 0 H3 DT B 13 -10.965 1.374 13.339 1.00 0.00 H new ATOM 0 H71 DT B 13 -14.611 3.027 9.763 1.00 0.00 H new ATOM 0 H72 DT B 13 -15.066 1.417 10.370 1.00 0.00 H new ATOM 0 H73 DT B 13 -14.995 2.802 11.486 1.00 0.00 H new ATOM 0 H6 DT B 13 -12.553 2.403 8.889 1.00 0.00 H new ATOM 412 P DC B 14 -10.821 2.518 4.490 1.00 0.00 P ATOM 413 OP1 DC B 14 -11.094 3.803 3.816 1.00 0.00 O ATOM 414 OP2 DC B 14 -11.924 1.675 4.997 1.00 0.00 O ATOM 415 O5' DC B 14 -9.971 1.674 3.439 1.00 0.00 O ATOM 416 C5' DC B 14 -9.780 0.287 3.612 1.00 0.00 C ATOM 417 C4' DC B 14 -8.573 -0.152 2.799 1.00 0.00 C ATOM 418 O4' DC B 14 -7.401 0.410 3.338 1.00 0.00 O ATOM 419 C3' DC B 14 -8.379 -1.674 2.877 1.00 0.00 C ATOM 420 O3' DC B 14 -8.924 -2.469 1.830 1.00 0.00 O ATOM 421 C2' DC B 14 -6.871 -1.837 2.999 1.00 0.00 C ATOM 422 C1' DC B 14 -6.334 -0.403 2.918 1.00 0.00 C ATOM 423 N1 DC B 14 -5.243 -0.158 3.881 1.00 0.00 N ATOM 424 C2 DC B 14 -4.001 0.306 3.448 1.00 0.00 C ATOM 425 O2 DC B 14 -3.756 0.541 2.265 1.00 0.00 O ATOM 426 N3 DC B 14 -3.026 0.532 4.361 1.00 0.00 N ATOM 427 C4 DC B 14 -3.273 0.326 5.644 1.00 0.00 C ATOM 428 N4 DC B 14 -2.315 0.631 6.475 1.00 0.00 N ATOM 429 C5 DC B 14 -4.542 -0.079 6.142 1.00 0.00 C ATOM 430 C6 DC B 14 -5.505 -0.302 5.218 1.00 0.00 C ATOM 0 H5' DC B 14 -10.668 -0.258 3.292 1.00 0.00 H new ATOM 0 H5'' DC B 14 -9.628 0.057 4.666 1.00 0.00 H new ATOM 0 H4' DC B 14 -8.748 0.169 1.772 1.00 0.00 H new ATOM 0 H3' DC B 14 -8.953 -2.061 3.719 1.00 0.00 H new ATOM 0 H2' DC B 14 -6.596 -2.313 3.940 1.00 0.00 H new ATOM 0 H2'' DC B 14 -6.471 -2.459 2.198 1.00 0.00 H new ATOM 0 H1' DC B 14 -5.963 -0.212 1.911 1.00 0.00 H new ATOM 0 H41 DC B 14 -2.446 0.494 7.477 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.434 1.006 6.123 1.00 0.00 H new ATOM 0 H5 DC B 14 -4.727 -0.202 7.199 1.00 0.00 H new ATOM 0 H6 DC B 14 -6.493 -0.597 5.539 1.00 0.00 H new ATOM 442 P DG B 15 -8.874 -2.083 0.258 1.00 0.00 P ATOM 443 OP1 DG B 15 -9.771 -0.931 0.043 1.00 0.00 O ATOM 444 OP2 DG B 15 -9.073 -3.328 -0.511 1.00 0.00 O ATOM 445 O5' DG B 15 -7.348 -1.581 0.080 1.00 0.00 O ATOM 446 C5' DG B 15 -6.600 -1.782 -1.106 1.00 0.00 C ATOM 447 C4' DG B 15 -5.376 -2.676 -0.889 1.00 0.00 C ATOM 448 O4' DG B 15 -4.493 -2.127 0.069 1.00 0.00 O ATOM 449 C3' DG B 15 -5.692 -4.067 -0.336 1.00 0.00 C ATOM 450 O3' DG B 15 -6.368 -4.934 -1.247 1.00 0.00 O ATOM 451 C2' DG B 15 -4.329 -4.499 0.211 1.00 0.00 C ATOM 452 C1' DG B 15 -3.610 -3.166 0.441 1.00 0.00 C ATOM 453 N9 DG B 15 -3.163 -2.962 1.829 1.00 0.00 N ATOM 454 C8 DG B 15 -3.816 -3.258 2.999 1.00 0.00 C ATOM 455 N7 DG B 15 -3.146 -2.953 4.076 1.00 0.00 N ATOM 456 C5 DG B 15 -1.938 -2.452 3.579 1.00 0.00 C ATOM 457 C6 DG B 15 -0.758 -1.976 4.241 1.00 0.00 C ATOM 458 O6 DG B 15 -0.538 -1.854 5.444 1.00 0.00 O ATOM 459 N1 DG B 15 0.262 -1.627 3.374 1.00 0.00 N ATOM 460 C2 DG B 15 0.159 -1.651 2.014 1.00 0.00 C ATOM 461 N2 DG B 15 1.225 -1.301 1.320 1.00 0.00 N ATOM 462 N3 DG B 15 -0.932 -2.070 1.373 1.00 0.00 N ATOM 463 C4 DG B 15 -1.942 -2.463 2.204 1.00 0.00 C ATOM 0 H5' DG B 15 -6.275 -0.816 -1.494 1.00 0.00 H new ATOM 0 H5'' DG B 15 -7.242 -2.230 -1.864 1.00 0.00 H new ATOM 0 H4' DG B 15 -4.951 -2.746 -1.890 1.00 0.00 H new ATOM 0 H3' DG B 15 -6.451 -4.091 0.446 1.00 0.00 H new ATOM 0 H2' DG B 15 -4.427 -5.069 1.135 1.00 0.00 H new ATOM 0 H2'' DG B 15 -3.792 -5.130 -0.497 1.00 0.00 H new ATOM 0 H1' DG B 15 -2.704 -3.170 -0.165 1.00 0.00 H new ATOM 0 H8 DG B 15 -4.799 -3.705 3.026 1.00 0.00 H new ATOM 0 H1 DG B 15 1.151 -1.332 3.779 1.00 0.00 H new ATOM 0 H21 DG B 15 1.193 -1.304 0.300 1.00 0.00 H new ATOM 0 H22 DG B 15 2.081 -1.027 1.803 1.00 0.00 H new ATOM 475 P DT B 16 -5.688 -5.872 -2.366 1.00 0.00 P ATOM 476 OP1 DT B 16 -6.760 -6.292 -3.301 1.00 0.00 O ATOM 477 OP2 DT B 16 -4.865 -6.904 -1.705 1.00 0.00 O ATOM 478 O5' DT B 16 -4.694 -4.888 -3.171 1.00 0.00 O ATOM 479 C5' DT B 16 -5.124 -4.088 -4.266 1.00 0.00 C ATOM 480 C4' DT B 16 -4.340 -4.424 -5.538 1.00 0.00 C ATOM 481 O4' DT B 16 -2.988 -4.073 -5.334 1.00 0.00 O ATOM 482 C3' DT B 16 -4.399 -5.911 -5.900 1.00 0.00 C ATOM 483 O3' DT B 16 -5.241 -6.140 -7.023 1.00 0.00 O ATOM 484 C2' DT B 16 -2.947 -6.272 -6.218 1.00 0.00 C ATOM 485 C1' DT B 16 -2.121 -5.015 -5.923 1.00 0.00 C ATOM 486 N1 DT B 16 -1.035 -5.319 -4.963 1.00 0.00 N ATOM 487 C2 DT B 16 0.235 -5.594 -5.472 1.00 0.00 C ATOM 488 O2 DT B 16 0.529 -5.512 -6.660 1.00 0.00 O ATOM 489 N3 DT B 16 1.171 -6.022 -4.563 1.00 0.00 N ATOM 490 C4 DT B 16 0.972 -6.203 -3.211 1.00 0.00 C ATOM 491 O4 DT B 16 1.918 -6.587 -2.531 1.00 0.00 O ATOM 492 C5 DT B 16 -0.380 -5.897 -2.753 1.00 0.00 C ATOM 493 C7 DT B 16 -0.784 -6.067 -1.307 1.00 0.00 C ATOM 494 C6 DT B 16 -1.324 -5.470 -3.626 1.00 0.00 C ATOM 0 H5' DT B 16 -4.993 -3.034 -4.023 1.00 0.00 H new ATOM 0 H5'' DT B 16 -6.189 -4.246 -4.439 1.00 0.00 H new ATOM 0 H4' DT B 16 -4.792 -3.866 -6.358 1.00 0.00 H new ATOM 0 H3' DT B 16 -4.817 -6.517 -5.096 1.00 0.00 H new ATOM 0 H2' DT B 16 -2.612 -7.111 -5.608 1.00 0.00 H new ATOM 0 H2'' DT B 16 -2.840 -6.573 -7.260 1.00 0.00 H new ATOM 0 HO3' DT B 16 -6.117 -5.730 -6.864 1.00 0.00 H new ATOM 0 H1' DT B 16 -1.677 -4.639 -6.845 1.00 0.00 H new ATOM 0 H3 DT B 16 2.103 -6.226 -4.923 1.00 0.00 H new ATOM 0 H71 DT B 16 -1.560 -5.343 -1.059 1.00 0.00 H new ATOM 0 H72 DT B 16 -1.166 -7.076 -1.152 1.00 0.00 H new ATOM 0 H73 DT B 16 0.082 -5.904 -0.666 1.00 0.00 H new ATOM 0 H6 DT B 16 -2.318 -5.245 -3.268 1.00 0.00 H new TER 508 DT B 16