USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 169 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 DC O5' : rot 180:sc= 0 USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl 150:sc= -0.0168 (180deg=-0.0168) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -6.317 2.105 9.450 1.00 1.30 O ATOM 2 C5' DC A 1 -5.544 2.226 10.646 1.00 1.24 C ATOM 3 C4' DC A 1 -4.273 3.039 10.405 1.00 1.05 C ATOM 4 O4' DC A 1 -3.455 2.377 9.439 1.00 1.03 O ATOM 5 C3' DC A 1 -4.533 4.458 9.882 1.00 0.93 C ATOM 6 O3' DC A 1 -3.879 5.406 10.734 1.00 0.81 O ATOM 7 C2' DC A 1 -3.896 4.482 8.495 1.00 0.86 C ATOM 8 C1' DC A 1 -2.868 3.371 8.609 1.00 0.88 C ATOM 9 N1 DC A 1 -2.508 2.739 7.326 1.00 0.88 N ATOM 10 C2 DC A 1 -1.238 2.981 6.831 1.00 0.83 C ATOM 11 O2 DC A 1 -0.460 3.700 7.454 1.00 0.82 O ATOM 12 N3 DC A 1 -0.885 2.404 5.650 1.00 0.83 N ATOM 13 C4 DC A 1 -1.744 1.623 4.982 1.00 0.88 C ATOM 14 N4 DC A 1 -1.367 1.074 3.827 1.00 0.88 N ATOM 15 C5 DC A 1 -3.057 1.371 5.489 1.00 0.95 C ATOM 16 C6 DC A 1 -3.397 1.947 6.660 1.00 0.95 C ATOM 0 H5' DC A 1 -5.280 1.234 11.013 1.00 1.24 H new ATOM 0 H5'' DC A 1 -6.142 2.704 11.422 1.00 1.24 H new ATOM 0 H4' DC A 1 -3.788 3.119 11.378 1.00 1.05 H new ATOM 0 H3' DC A 1 -5.593 4.709 9.855 1.00 0.93 H new ATOM 0 H2' DC A 1 -4.624 4.287 7.707 1.00 0.86 H new ATOM 0 H2'' DC A 1 -3.435 5.445 8.273 1.00 0.86 H new ATOM 0 HO5' DC A 1 -7.123 1.579 9.633 1.00 1.30 H new ATOM 0 H1' DC A 1 -1.947 3.802 9.002 1.00 0.88 H new ATOM 0 H41 DC A 1 -2.014 0.478 3.311 1.00 0.88 H new ATOM 0 H42 DC A 1 -0.432 1.250 3.460 1.00 0.88 H new ATOM 0 H5 DC A 1 -3.752 0.742 4.953 1.00 0.95 H new ATOM 0 H6 DC A 1 -4.381 1.780 7.074 1.00 0.95 H new ATOM 29 P DG A 2 -3.987 6.985 10.436 1.00 0.71 P ATOM 30 OP1 DG A 2 -3.701 7.716 11.691 1.00 0.69 O ATOM 31 OP2 DG A 2 -5.252 7.233 9.710 1.00 0.85 O ATOM 32 O5' DG A 2 -2.765 7.237 9.418 1.00 0.56 O ATOM 33 C5' DG A 2 -1.413 7.205 9.883 1.00 0.46 C ATOM 34 C4' DG A 2 -0.427 7.498 8.754 1.00 0.38 C ATOM 35 O4' DG A 2 -0.594 6.538 7.710 1.00 0.42 O ATOM 36 C3' DG A 2 -0.597 8.886 8.122 1.00 0.34 C ATOM 37 O3' DG A 2 0.630 9.613 8.252 1.00 0.33 O ATOM 38 C2' DG A 2 -0.886 8.614 6.646 1.00 0.37 C ATOM 39 C1' DG A 2 -0.363 7.199 6.472 1.00 0.37 C ATOM 40 N9 DG A 2 -1.048 6.432 5.416 1.00 0.42 N ATOM 41 C8 DG A 2 -2.360 6.050 5.354 1.00 0.51 C ATOM 42 N7 DG A 2 -2.665 5.378 4.280 1.00 0.56 N ATOM 43 C5 DG A 2 -1.467 5.311 3.576 1.00 0.49 C ATOM 44 C6 DG A 2 -1.178 4.702 2.325 1.00 0.50 C ATOM 45 O6 DG A 2 -1.942 4.090 1.581 1.00 0.58 O ATOM 46 N1 DG A 2 0.156 4.866 1.975 1.00 0.45 N ATOM 47 C2 DG A 2 1.096 5.532 2.734 1.00 0.40 C ATOM 48 N2 DG A 2 2.329 5.586 2.231 1.00 0.41 N ATOM 49 N3 DG A 2 0.826 6.105 3.909 1.00 0.38 N ATOM 50 C4 DG A 2 -0.470 5.954 4.266 1.00 0.42 C ATOM 0 H5' DG A 2 -1.197 6.226 10.311 1.00 0.46 H new ATOM 0 H5'' DG A 2 -1.284 7.937 10.680 1.00 0.46 H new ATOM 0 H4' DG A 2 0.562 7.452 9.211 1.00 0.38 H new ATOM 0 H3' DG A 2 -1.388 9.470 8.593 1.00 0.34 H new ATOM 0 H2' DG A 2 -1.950 8.686 6.420 1.00 0.37 H new ATOM 0 H2'' DG A 2 -0.373 9.321 5.994 1.00 0.37 H new ATOM 0 H1' DG A 2 0.686 7.257 6.182 1.00 0.37 H new ATOM 0 H8 DG A 2 -3.078 6.284 6.126 1.00 0.51 H new ATOM 0 H1 DG A 2 0.464 4.464 1.090 1.00 0.45 H new ATOM 0 H21 DG A 2 3.069 6.065 2.745 1.00 0.41 H new ATOM 0 H22 DG A 2 2.533 5.149 1.332 1.00 0.41 H new ATOM 62 P DC A 3 0.856 10.995 7.458 1.00 0.39 P ATOM 63 OP1 DC A 3 1.790 11.834 8.241 1.00 0.45 O ATOM 64 OP2 DC A 3 -0.469 11.530 7.072 1.00 0.50 O ATOM 65 O5' DC A 3 1.613 10.511 6.121 1.00 0.39 O ATOM 66 C5' DC A 3 2.876 9.846 6.203 1.00 0.36 C ATOM 67 C4' DC A 3 3.424 9.508 4.818 1.00 0.38 C ATOM 68 O4' DC A 3 2.443 8.775 4.087 1.00 0.40 O ATOM 69 C3' DC A 3 3.791 10.738 3.978 1.00 0.43 C ATOM 70 O3' DC A 3 5.188 10.696 3.659 1.00 0.45 O ATOM 71 C2' DC A 3 2.965 10.602 2.698 1.00 0.44 C ATOM 72 C1' DC A 3 2.561 9.138 2.719 1.00 0.42 C ATOM 73 N1 DC A 3 1.271 8.856 2.063 1.00 0.43 N ATOM 74 C2 DC A 3 1.307 8.271 0.808 1.00 0.44 C ATOM 75 O2 DC A 3 2.386 8.012 0.281 1.00 0.45 O ATOM 76 N3 DC A 3 0.126 7.999 0.189 1.00 0.47 N ATOM 77 C4 DC A 3 -1.041 8.288 0.778 1.00 0.48 C ATOM 78 N4 DC A 3 -2.180 8.009 0.143 1.00 0.52 N ATOM 79 C5 DC A 3 -1.083 8.892 2.076 1.00 0.48 C ATOM 80 C6 DC A 3 0.091 9.158 2.678 1.00 0.45 C ATOM 0 H5' DC A 3 2.769 8.931 6.786 1.00 0.36 H new ATOM 0 H5'' DC A 3 3.588 10.480 6.732 1.00 0.36 H new ATOM 0 H4' DC A 3 4.334 8.934 4.991 1.00 0.38 H new ATOM 0 H3' DC A 3 3.592 11.675 4.499 1.00 0.43 H new ATOM 0 H2' DC A 3 2.098 11.262 2.703 1.00 0.44 H new ATOM 0 H2'' DC A 3 3.548 10.849 1.811 1.00 0.44 H new ATOM 0 H1' DC A 3 3.315 8.575 2.169 1.00 0.42 H new ATOM 0 H41 DC A 3 -3.075 8.225 0.582 1.00 0.52 H new ATOM 0 H42 DC A 3 -2.156 7.580 -0.782 1.00 0.52 H new ATOM 0 H5 DC A 3 -2.023 9.126 2.554 1.00 0.48 H new ATOM 0 H6 DC A 3 0.099 9.615 3.657 1.00 0.45 H new ATOM 92 P DG A 4 5.886 11.921 2.876 1.00 0.52 P ATOM 93 OP1 DG A 4 7.316 11.960 3.254 1.00 0.59 O ATOM 94 OP2 DG A 4 5.044 13.124 3.056 1.00 0.59 O ATOM 95 O5' DG A 4 5.784 11.462 1.335 1.00 0.52 O ATOM 96 C5' DG A 4 6.700 10.504 0.797 1.00 0.51 C ATOM 97 C4' DG A 4 6.454 10.267 -0.691 1.00 0.53 C ATOM 98 O4' DG A 4 5.103 9.834 -0.893 1.00 0.52 O ATOM 99 C3' DG A 4 6.667 11.511 -1.557 1.00 0.56 C ATOM 100 O3' DG A 4 7.453 11.166 -2.704 1.00 0.59 O ATOM 101 C2' DG A 4 5.264 11.910 -1.993 1.00 0.55 C ATOM 102 C1' DG A 4 4.553 10.570 -1.984 1.00 0.53 C ATOM 103 N9 DG A 4 3.094 10.660 -1.782 1.00 0.52 N ATOM 104 C8 DG A 4 2.410 11.233 -0.744 1.00 0.53 C ATOM 105 N7 DG A 4 1.114 11.138 -0.847 1.00 0.54 N ATOM 106 C5 DG A 4 0.922 10.453 -2.042 1.00 0.53 C ATOM 107 C6 DG A 4 -0.284 10.058 -2.680 1.00 0.55 C ATOM 108 O6 DG A 4 -1.440 10.237 -2.304 1.00 0.58 O ATOM 109 N1 DG A 4 -0.035 9.390 -3.871 1.00 0.55 N ATOM 110 C2 DG A 4 1.219 9.133 -4.386 1.00 0.55 C ATOM 111 N2 DG A 4 1.257 8.477 -5.547 1.00 0.58 N ATOM 112 N3 DG A 4 2.355 9.503 -3.786 1.00 0.53 N ATOM 113 C4 DG A 4 2.131 10.156 -2.623 1.00 0.52 C ATOM 0 H5' DG A 4 6.602 9.562 1.337 1.00 0.51 H new ATOM 0 H5'' DG A 4 7.722 10.853 0.947 1.00 0.51 H new ATOM 0 H4' DG A 4 7.181 9.514 -0.994 1.00 0.53 H new ATOM 0 H3' DG A 4 7.185 12.312 -1.030 1.00 0.56 H new ATOM 0 H2' DG A 4 4.807 12.621 -1.305 1.00 0.55 H new ATOM 0 H2'' DG A 4 5.257 12.372 -2.980 1.00 0.55 H new ATOM 0 H1' DG A 4 4.699 10.104 -2.958 1.00 0.53 H new ATOM 0 H8 DG A 4 2.900 11.720 0.086 1.00 0.53 H new ATOM 0 H1 DG A 4 -0.840 9.064 -4.406 1.00 0.55 H new ATOM 0 H21 DG A 4 2.154 8.257 -5.979 1.00 0.58 H new ATOM 0 H22 DG A 4 0.389 8.195 -6.002 1.00 0.58 H new ATOM 125 P DA A 5 7.727 12.249 -3.863 1.00 0.61 P ATOM 126 OP1 DA A 5 9.139 12.124 -4.291 1.00 0.70 O ATOM 127 OP2 DA A 5 7.209 13.557 -3.404 1.00 0.72 O ATOM 128 O5' DA A 5 6.789 11.730 -5.064 1.00 0.49 O ATOM 129 C5' DA A 5 7.140 10.558 -5.807 1.00 0.43 C ATOM 130 C4' DA A 5 6.277 10.409 -7.057 1.00 0.39 C ATOM 131 O4' DA A 5 4.901 10.288 -6.677 1.00 0.49 O ATOM 132 C3' DA A 5 6.378 11.594 -8.017 1.00 0.37 C ATOM 133 O3' DA A 5 6.377 11.120 -9.369 1.00 0.35 O ATOM 134 C2' DA A 5 5.114 12.391 -7.747 1.00 0.40 C ATOM 135 C1' DA A 5 4.140 11.291 -7.355 1.00 0.42 C ATOM 136 N9 DA A 5 3.071 11.734 -6.441 1.00 0.42 N ATOM 137 C8 DA A 5 3.179 12.472 -5.291 1.00 0.44 C ATOM 138 N7 DA A 5 2.040 12.695 -4.698 1.00 0.45 N ATOM 139 C5 DA A 5 1.110 12.059 -5.514 1.00 0.44 C ATOM 140 C6 DA A 5 -0.285 11.925 -5.435 1.00 0.45 C ATOM 141 N6 DA A 5 -1.013 12.449 -4.450 1.00 0.47 N ATOM 142 N1 DA A 5 -0.893 11.230 -6.413 1.00 0.47 N ATOM 143 C2 DA A 5 -0.159 10.712 -7.391 1.00 0.47 C ATOM 144 N3 DA A 5 1.151 10.769 -7.573 1.00 0.46 N ATOM 145 C4 DA A 5 1.731 11.471 -6.579 1.00 0.43 C ATOM 0 H5' DA A 5 7.023 9.677 -5.176 1.00 0.43 H new ATOM 0 H5'' DA A 5 8.191 10.608 -6.093 1.00 0.43 H new ATOM 0 H4' DA A 5 6.647 9.522 -7.570 1.00 0.39 H new ATOM 0 H3' DA A 5 7.286 12.181 -7.878 1.00 0.37 H new ATOM 0 H2' DA A 5 5.252 13.121 -6.949 1.00 0.40 H new ATOM 0 H2'' DA A 5 4.780 12.941 -8.627 1.00 0.40 H new ATOM 0 H1' DA A 5 3.653 10.940 -8.265 1.00 0.42 H new ATOM 0 H8 DA A 5 4.122 12.836 -4.911 1.00 0.44 H new ATOM 0 H61 DA A 5 -2.025 12.322 -4.440 1.00 0.47 H new ATOM 0 H62 DA A 5 -0.558 12.977 -3.705 1.00 0.47 H new ATOM 0 H2 DA A 5 -0.709 10.167 -8.144 1.00 0.47 H new ATOM 157 P DA A 6 6.611 12.145 -10.590 1.00 0.29 P ATOM 158 OP1 DA A 6 7.085 11.373 -11.759 1.00 0.35 O ATOM 159 OP2 DA A 6 7.407 13.287 -10.088 1.00 0.37 O ATOM 160 O5' DA A 6 5.121 12.670 -10.903 1.00 0.26 O ATOM 161 C5' DA A 6 4.280 11.963 -11.820 1.00 0.30 C ATOM 162 C4' DA A 6 2.961 12.695 -12.047 1.00 0.36 C ATOM 163 O4' DA A 6 2.207 12.719 -10.831 1.00 0.40 O ATOM 164 C3' DA A 6 3.128 14.152 -12.502 1.00 0.36 C ATOM 165 O3' DA A 6 2.427 14.357 -13.737 1.00 0.51 O ATOM 166 C2' DA A 6 2.476 14.976 -11.395 1.00 0.33 C ATOM 167 C1' DA A 6 1.528 13.965 -10.782 1.00 0.38 C ATOM 168 N9 DA A 6 1.166 14.246 -9.380 1.00 0.38 N ATOM 169 C8 DA A 6 1.984 14.526 -8.317 1.00 0.38 C ATOM 170 N7 DA A 6 1.343 14.776 -7.208 1.00 0.44 N ATOM 171 C5 DA A 6 0.004 14.647 -7.565 1.00 0.45 C ATOM 172 C6 DA A 6 -1.191 14.788 -6.838 1.00 0.52 C ATOM 173 N6 DA A 6 -1.225 15.107 -5.545 1.00 0.59 N ATOM 174 N1 DA A 6 -2.343 14.589 -7.502 1.00 0.56 N ATOM 175 C2 DA A 6 -2.300 14.276 -8.793 1.00 0.54 C ATOM 176 N3 DA A 6 -1.249 14.118 -9.578 1.00 0.48 N ATOM 177 C4 DA A 6 -0.111 14.323 -8.885 1.00 0.42 C ATOM 0 H5' DA A 6 4.081 10.963 -11.435 1.00 0.30 H new ATOM 0 H5'' DA A 6 4.798 11.841 -12.771 1.00 0.30 H new ATOM 0 H4' DA A 6 2.456 12.145 -12.841 1.00 0.36 H new ATOM 0 H3' DA A 6 4.171 14.423 -12.666 1.00 0.36 H new ATOM 0 H2' DA A 6 3.206 15.344 -10.674 1.00 0.33 H new ATOM 0 H2'' DA A 6 1.950 15.846 -11.787 1.00 0.33 H new ATOM 0 H1' DA A 6 0.592 13.987 -11.340 1.00 0.38 H new ATOM 0 H8 DA A 6 3.061 14.539 -8.390 1.00 0.38 H new ATOM 0 H61 DA A 6 -2.121 15.197 -5.065 1.00 0.59 H new ATOM 0 H62 DA A 6 -0.355 15.262 -5.035 1.00 0.59 H new ATOM 0 H2 DA A 6 -3.259 14.130 -9.267 1.00 0.54 H new ATOM 189 P DG A 7 0.876 13.950 -13.885 1.00 0.64 P ATOM 190 OP1 DG A 7 0.665 12.667 -13.179 1.00 0.64 O ATOM 191 OP2 DG A 7 0.499 14.078 -15.311 1.00 0.81 O ATOM 192 O5' DG A 7 0.120 15.111 -13.061 1.00 0.60 O ATOM 193 C5' DG A 7 -0.211 16.357 -13.683 1.00 0.64 C ATOM 194 C4' DG A 7 -0.964 17.278 -12.724 1.00 0.64 C ATOM 195 O4' DG A 7 -0.188 17.474 -11.539 1.00 0.63 O ATOM 196 C3' DG A 7 -1.273 18.667 -13.300 1.00 0.68 C ATOM 197 O3' DG A 7 -2.676 18.924 -13.187 1.00 0.71 O ATOM 198 C2' DG A 7 -0.496 19.635 -12.410 1.00 0.67 C ATOM 199 C1' DG A 7 -0.341 18.829 -11.134 1.00 0.63 C ATOM 200 N9 DG A 7 0.838 19.194 -10.325 1.00 0.64 N ATOM 201 C8 DG A 7 2.111 19.477 -10.744 1.00 0.69 C ATOM 202 N7 DG A 7 2.936 19.761 -9.776 1.00 0.73 N ATOM 203 C5 DG A 7 2.154 19.659 -8.629 1.00 0.69 C ATOM 204 C6 DG A 7 2.507 19.858 -7.267 1.00 0.73 C ATOM 205 O6 DG A 7 3.601 20.168 -6.800 1.00 0.80 O ATOM 206 N1 DG A 7 1.421 19.655 -6.426 1.00 0.72 N ATOM 207 C2 DG A 7 0.153 19.306 -6.840 1.00 0.69 C ATOM 208 N2 DG A 7 -0.761 19.156 -5.882 1.00 0.73 N ATOM 209 N3 DG A 7 -0.181 19.119 -8.121 1.00 0.65 N ATOM 210 C4 DG A 7 0.867 19.312 -8.956 1.00 0.65 C ATOM 0 H5' DG A 7 -0.821 16.173 -14.567 1.00 0.64 H new ATOM 0 H5'' DG A 7 0.701 16.849 -14.022 1.00 0.64 H new ATOM 0 H4' DG A 7 -1.912 16.779 -12.526 1.00 0.64 H new ATOM 0 H3' DG A 7 -0.999 18.760 -14.351 1.00 0.68 H new ATOM 0 H2' DG A 7 0.467 19.904 -12.843 1.00 0.67 H new ATOM 0 H2'' DG A 7 -1.041 20.564 -12.243 1.00 0.67 H new ATOM 0 H1' DG A 7 -1.213 19.018 -10.508 1.00 0.63 H new ATOM 0 H8 DG A 7 2.405 19.466 -11.783 1.00 0.69 H new ATOM 0 H1 DG A 7 1.573 19.773 -5.424 1.00 0.72 H new ATOM 0 H21 DG A 7 -1.717 18.898 -6.125 1.00 0.73 H new ATOM 0 H22 DG A 7 -0.504 19.299 -4.905 1.00 0.73 H new ATOM 222 P DC A 8 -3.265 20.404 -13.436 1.00 0.77 P ATOM 223 OP1 DC A 8 -4.464 20.286 -14.295 1.00 0.88 O ATOM 224 OP2 DC A 8 -2.147 21.283 -13.846 1.00 0.84 O ATOM 225 O5' DC A 8 -3.742 20.845 -11.963 1.00 0.66 O ATOM 226 C5' DC A 8 -4.723 20.077 -11.262 1.00 0.59 C ATOM 227 C4' DC A 8 -4.928 20.583 -9.836 1.00 0.48 C ATOM 228 O4' DC A 8 -3.663 20.701 -9.183 1.00 0.46 O ATOM 229 C3' DC A 8 -5.617 21.951 -9.744 1.00 0.53 C ATOM 230 O3' DC A 8 -6.743 21.852 -8.860 1.00 0.48 O ATOM 231 C2' DC A 8 -4.561 22.871 -9.138 1.00 0.56 C ATOM 232 C1' DC A 8 -3.687 21.882 -8.390 1.00 0.49 C ATOM 233 N1 DC A 8 -2.293 22.324 -8.193 1.00 0.57 N ATOM 234 C2 DC A 8 -1.818 22.372 -6.891 1.00 0.76 C ATOM 235 O2 DC A 8 -2.552 22.057 -5.957 1.00 0.89 O ATOM 236 N3 DC A 8 -0.534 22.773 -6.687 1.00 0.88 N ATOM 237 C4 DC A 8 0.252 23.115 -7.716 1.00 0.81 C ATOM 238 N4 DC A 8 1.505 23.504 -7.481 1.00 0.94 N ATOM 239 C5 DC A 8 -0.234 23.067 -9.061 1.00 0.68 C ATOM 240 C6 DC A 8 -1.506 22.668 -9.253 1.00 0.57 C ATOM 0 H5' DC A 8 -4.415 19.032 -11.236 1.00 0.59 H new ATOM 0 H5'' DC A 8 -5.669 20.117 -11.801 1.00 0.59 H new ATOM 0 H4' DC A 8 -5.579 19.850 -9.360 1.00 0.48 H new ATOM 0 H3' DC A 8 -5.977 22.312 -10.707 1.00 0.53 H new ATOM 0 H2' DC A 8 -4.004 23.414 -9.901 1.00 0.56 H new ATOM 0 H2'' DC A 8 -4.999 23.615 -8.473 1.00 0.56 H new ATOM 0 H1' DC A 8 -4.106 21.750 -7.393 1.00 0.49 H new ATOM 0 H41 DC A 8 2.112 23.767 -8.258 1.00 0.94 H new ATOM 0 H42 DC A 8 1.857 23.539 -6.524 1.00 0.94 H new ATOM 0 H5 DC A 8 0.397 23.341 -9.893 1.00 0.68 H new ATOM 0 H6 DC A 8 -1.906 22.620 -10.255 1.00 0.57 H new ATOM 252 P DA A 9 -7.646 23.144 -8.521 1.00 0.57 P ATOM 253 OP1 DA A 9 -8.306 23.588 -9.770 1.00 0.73 O ATOM 254 OP2 DA A 9 -6.820 24.097 -7.746 1.00 0.65 O ATOM 255 O5' DA A 9 -8.777 22.545 -7.541 1.00 0.53 O ATOM 256 C5' DA A 9 -10.010 22.046 -8.069 1.00 0.62 C ATOM 257 C4' DA A 9 -10.123 20.531 -7.911 1.00 0.60 C ATOM 258 O4' DA A 9 -8.917 19.915 -8.360 1.00 0.54 O ATOM 259 C3' DA A 9 -10.358 20.062 -6.466 1.00 0.57 C ATOM 260 O3' DA A 9 -11.581 19.315 -6.405 1.00 0.70 O ATOM 261 C2' DA A 9 -9.172 19.150 -6.154 1.00 0.52 C ATOM 262 C1' DA A 9 -8.693 18.772 -7.547 1.00 0.52 C ATOM 263 N9 DA A 9 -7.259 18.417 -7.648 1.00 0.45 N ATOM 264 C8 DA A 9 -6.208 18.774 -6.836 1.00 0.38 C ATOM 265 N7 DA A 9 -5.058 18.292 -7.218 1.00 0.37 N ATOM 266 C5 DA A 9 -5.365 17.565 -8.363 1.00 0.43 C ATOM 267 C6 DA A 9 -4.577 16.808 -9.247 1.00 0.49 C ATOM 268 N6 DA A 9 -3.260 16.658 -9.103 1.00 0.48 N ATOM 269 N1 DA A 9 -5.202 16.219 -10.280 1.00 0.61 N ATOM 270 C2 DA A 9 -6.513 16.374 -10.417 1.00 0.66 C ATOM 271 N3 DA A 9 -7.357 17.055 -9.659 1.00 0.62 N ATOM 272 C4 DA A 9 -6.702 17.635 -8.632 1.00 0.49 C ATOM 0 H5' DA A 9 -10.086 22.308 -9.124 1.00 0.62 H new ATOM 0 H5'' DA A 9 -10.845 22.528 -7.560 1.00 0.62 H new ATOM 0 H4' DA A 9 -10.992 20.242 -8.502 1.00 0.60 H new ATOM 0 H3' DA A 9 -10.436 20.889 -5.760 1.00 0.57 H new ATOM 0 H2' DA A 9 -8.400 19.665 -5.582 1.00 0.52 H new ATOM 0 H2'' DA A 9 -9.470 18.277 -5.573 1.00 0.52 H new ATOM 0 H1' DA A 9 -9.238 17.878 -7.850 1.00 0.52 H new ATOM 0 H8 DA A 9 -6.324 19.397 -5.961 1.00 0.38 H new ATOM 0 H61 DA A 9 -2.734 16.097 -9.774 1.00 0.48 H new ATOM 0 H62 DA A 9 -2.778 17.104 -8.322 1.00 0.48 H new ATOM 0 H2 DA A 9 -6.953 15.874 -11.267 1.00 0.66 H new ATOM 284 P DT A 10 -11.852 18.259 -5.216 1.00 0.77 P ATOM 285 OP1 DT A 10 -13.314 18.146 -5.015 1.00 0.93 O ATOM 286 OP2 DT A 10 -10.975 18.604 -4.075 1.00 0.72 O ATOM 287 O5' DT A 10 -11.327 16.877 -5.852 1.00 0.76 O ATOM 288 C5' DT A 10 -11.890 16.380 -7.069 1.00 0.82 C ATOM 289 C4' DT A 10 -11.010 15.299 -7.686 1.00 0.74 C ATOM 290 O4' DT A 10 -9.652 15.731 -7.674 1.00 0.67 O ATOM 291 C3' DT A 10 -11.061 13.958 -6.949 1.00 0.74 C ATOM 292 O3' DT A 10 -11.659 12.975 -7.799 1.00 0.76 O ATOM 293 C2' DT A 10 -9.600 13.589 -6.678 1.00 0.70 C ATOM 294 C1' DT A 10 -8.828 14.582 -7.537 1.00 0.63 C ATOM 295 N1 DT A 10 -7.548 15.014 -6.945 1.00 0.57 N ATOM 296 C2 DT A 10 -6.394 14.762 -7.662 1.00 0.52 C ATOM 297 O2 DT A 10 -6.414 14.215 -8.763 1.00 0.54 O ATOM 298 N3 DT A 10 -5.211 15.166 -7.069 1.00 0.48 N ATOM 299 C4 DT A 10 -5.087 15.792 -5.841 1.00 0.48 C ATOM 300 O4 DT A 10 -3.981 16.108 -5.407 1.00 0.47 O ATOM 301 C5 DT A 10 -6.345 16.015 -5.166 1.00 0.53 C ATOM 302 C7 DT A 10 -6.355 16.697 -3.802 1.00 0.57 C ATOM 303 C6 DT A 10 -7.512 15.630 -5.722 1.00 0.57 C ATOM 0 H5' DT A 10 -12.013 17.200 -7.777 1.00 0.82 H new ATOM 0 H5'' DT A 10 -12.883 15.976 -6.874 1.00 0.82 H new ATOM 0 H4' DT A 10 -11.396 15.145 -8.694 1.00 0.74 H new ATOM 0 H3' DT A 10 -11.644 14.012 -6.029 1.00 0.74 H new ATOM 0 H2' DT A 10 -9.348 13.688 -5.622 1.00 0.70 H new ATOM 0 H2'' DT A 10 -9.385 12.559 -6.961 1.00 0.70 H new ATOM 0 H1' DT A 10 -8.590 14.093 -8.482 1.00 0.63 H new ATOM 0 H3 DT A 10 -4.350 14.986 -7.585 1.00 0.48 H new ATOM 0 H71 DT A 10 -7.286 17.250 -3.679 1.00 0.57 H new ATOM 0 H72 DT A 10 -6.274 15.944 -3.018 1.00 0.57 H new ATOM 0 H73 DT A 10 -5.512 17.385 -3.733 1.00 0.57 H new ATOM 0 H6 DT A 10 -8.436 15.811 -5.193 1.00 0.57 H new ATOM 316 P DT A 11 -11.602 11.414 -7.411 1.00 0.78 P ATOM 317 OP1 DT A 11 -12.744 10.732 -8.059 1.00 0.91 O ATOM 318 OP2 DT A 11 -11.412 11.308 -5.947 1.00 0.86 O ATOM 319 O5' DT A 11 -10.248 10.923 -8.130 1.00 0.62 O ATOM 320 C5' DT A 11 -10.140 10.937 -9.557 1.00 0.56 C ATOM 321 C4' DT A 11 -8.859 10.257 -10.029 1.00 0.44 C ATOM 322 O4' DT A 11 -7.725 10.934 -9.478 1.00 0.40 O ATOM 323 C3' DT A 11 -8.752 8.783 -9.618 1.00 0.41 C ATOM 324 O3' DT A 11 -8.412 7.994 -10.764 1.00 0.43 O ATOM 325 C2' DT A 11 -7.612 8.751 -8.608 1.00 0.40 C ATOM 326 C1' DT A 11 -6.791 9.953 -9.037 1.00 0.38 C ATOM 327 N1 DT A 11 -5.982 10.550 -7.958 1.00 0.38 N ATOM 328 C2 DT A 11 -4.612 10.587 -8.133 1.00 0.39 C ATOM 329 O2 DT A 11 -4.070 10.141 -9.142 1.00 0.41 O ATOM 330 N3 DT A 11 -3.884 11.156 -7.104 1.00 0.41 N ATOM 331 C4 DT A 11 -4.402 11.681 -5.934 1.00 0.43 C ATOM 332 O4 DT A 11 -3.660 12.165 -5.082 1.00 0.47 O ATOM 333 C5 DT A 11 -5.841 11.599 -5.838 1.00 0.42 C ATOM 334 C7 DT A 11 -6.542 12.141 -4.599 1.00 0.47 C ATOM 335 C6 DT A 11 -6.573 11.049 -6.828 1.00 0.40 C ATOM 0 H5' DT A 11 -10.159 11.967 -9.914 1.00 0.56 H new ATOM 0 H5'' DT A 11 -11.002 10.433 -9.993 1.00 0.56 H new ATOM 0 H4' DT A 11 -8.884 10.304 -11.118 1.00 0.44 H new ATOM 0 H3' DT A 11 -9.681 8.388 -9.207 1.00 0.41 H new ATOM 0 H2' DT A 11 -7.970 8.844 -7.583 1.00 0.40 H new ATOM 0 H2'' DT A 11 -7.041 7.824 -8.663 1.00 0.40 H new ATOM 0 H1' DT A 11 -6.087 9.626 -9.802 1.00 0.38 H new ATOM 0 H3 DT A 11 -2.871 11.192 -7.219 1.00 0.41 H new ATOM 0 H71 DT A 11 -7.537 12.494 -4.869 1.00 0.47 H new ATOM 0 H72 DT A 11 -6.627 11.350 -3.854 1.00 0.47 H new ATOM 0 H73 DT A 11 -5.964 12.968 -4.186 1.00 0.47 H new ATOM 0 H6 DT A 11 -7.647 11.001 -6.728 1.00 0.40 H new ATOM 348 P DC A 12 -8.079 6.426 -10.608 1.00 0.47 P ATOM 349 OP1 DC A 12 -8.335 5.765 -11.908 1.00 0.57 O ATOM 350 OP2 DC A 12 -8.748 5.931 -9.385 1.00 0.51 O ATOM 351 O5' DC A 12 -6.490 6.429 -10.348 1.00 0.47 O ATOM 352 C5' DC A 12 -5.586 6.818 -11.385 1.00 0.47 C ATOM 353 C4' DC A 12 -4.133 6.708 -10.933 1.00 0.48 C ATOM 354 O4' DC A 12 -3.912 7.565 -9.809 1.00 0.49 O ATOM 355 C3' DC A 12 -3.720 5.292 -10.512 1.00 0.51 C ATOM 356 O3' DC A 12 -2.509 4.928 -11.188 1.00 0.55 O ATOM 357 C2' DC A 12 -3.467 5.403 -9.013 1.00 0.50 C ATOM 358 C1' DC A 12 -3.090 6.865 -8.882 1.00 0.49 C ATOM 359 N1 DC A 12 -3.319 7.440 -7.541 1.00 0.50 N ATOM 360 C2 DC A 12 -2.220 7.956 -6.873 1.00 0.53 C ATOM 361 O2 DC A 12 -1.109 7.918 -7.396 1.00 0.56 O ATOM 362 N3 DC A 12 -2.410 8.495 -5.638 1.00 0.55 N ATOM 363 C4 DC A 12 -3.628 8.526 -5.081 1.00 0.55 C ATOM 364 N4 DC A 12 -3.778 9.061 -3.870 1.00 0.59 N ATOM 365 C5 DC A 12 -4.765 7.994 -5.767 1.00 0.53 C ATOM 366 C6 DC A 12 -4.566 7.462 -6.989 1.00 0.51 C ATOM 0 H5' DC A 12 -5.797 7.844 -11.687 1.00 0.47 H new ATOM 0 H5'' DC A 12 -5.744 6.189 -12.261 1.00 0.47 H new ATOM 0 H4' DC A 12 -3.534 6.993 -11.798 1.00 0.48 H new ATOM 0 H3' DC A 12 -4.471 4.540 -10.753 1.00 0.51 H new ATOM 0 H2' DC A 12 -4.352 5.153 -8.427 1.00 0.50 H new ATOM 0 H2'' DC A 12 -2.667 4.741 -8.681 1.00 0.50 H new ATOM 0 H1' DC A 12 -2.020 6.956 -9.067 1.00 0.49 H new ATOM 0 H41 DC A 12 -4.701 9.090 -3.436 1.00 0.59 H new ATOM 0 H42 DC A 12 -2.970 9.441 -3.377 1.00 0.59 H new ATOM 0 H5 DC A 12 -5.748 8.018 -5.321 1.00 0.53 H new ATOM 0 H6 DC A 12 -5.401 7.050 -7.536 1.00 0.51 H new ATOM 378 P DG A 13 -1.885 3.452 -11.021 1.00 0.62 P ATOM 379 OP1 DG A 13 -1.277 3.054 -12.310 1.00 0.70 O ATOM 380 OP2 DG A 13 -2.907 2.587 -10.390 1.00 0.68 O ATOM 381 O5' DG A 13 -0.699 3.686 -9.956 1.00 0.57 O ATOM 382 C5' DG A 13 0.560 4.223 -10.375 1.00 0.53 C ATOM 383 C4' DG A 13 1.507 4.424 -9.195 1.00 0.48 C ATOM 384 O4' DG A 13 0.871 5.233 -8.197 1.00 0.52 O ATOM 385 C3' DG A 13 1.932 3.120 -8.514 1.00 0.42 C ATOM 386 O3' DG A 13 3.352 3.124 -8.325 1.00 0.41 O ATOM 387 C2' DG A 13 1.229 3.152 -7.164 1.00 0.42 C ATOM 388 C1' DG A 13 1.112 4.644 -6.921 1.00 0.47 C ATOM 389 N9 DG A 13 0.003 5.024 -6.026 1.00 0.50 N ATOM 390 C8 DG A 13 -1.340 4.815 -6.195 1.00 0.55 C ATOM 391 N7 DG A 13 -2.075 5.275 -5.222 1.00 0.58 N ATOM 392 C5 DG A 13 -1.153 5.829 -4.340 1.00 0.55 C ATOM 393 C6 DG A 13 -1.364 6.480 -3.095 1.00 0.58 C ATOM 394 O6 DG A 13 -2.427 6.697 -2.518 1.00 0.63 O ATOM 395 N1 DG A 13 -0.167 6.888 -2.525 1.00 0.57 N ATOM 396 C2 DG A 13 1.081 6.696 -3.082 1.00 0.55 C ATOM 397 N2 DG A 13 2.118 7.158 -2.383 1.00 0.59 N ATOM 398 N3 DG A 13 1.281 6.085 -4.254 1.00 0.52 N ATOM 399 C4 DG A 13 0.123 5.680 -4.824 1.00 0.51 C ATOM 0 H5' DG A 13 0.400 5.176 -10.880 1.00 0.53 H new ATOM 0 H5'' DG A 13 1.019 3.551 -11.100 1.00 0.53 H new ATOM 0 H4' DG A 13 2.396 4.898 -9.611 1.00 0.48 H new ATOM 0 H3' DG A 13 1.677 2.234 -9.095 1.00 0.42 H new ATOM 0 H2' DG A 13 0.255 2.664 -7.197 1.00 0.42 H new ATOM 0 H2'' DG A 13 1.809 2.654 -6.387 1.00 0.42 H new ATOM 0 H1' DG A 13 2.027 4.984 -6.435 1.00 0.47 H new ATOM 0 H8 DG A 13 -1.753 4.314 -7.058 1.00 0.55 H new ATOM 0 H1 DG A 13 -0.213 7.367 -1.625 1.00 0.57 H new ATOM 0 H21 DG A 13 3.066 7.046 -2.743 1.00 0.59 H new ATOM 0 H22 DG A 13 1.963 7.623 -1.489 1.00 0.59 H new ATOM 411 P DC A 14 4.074 1.944 -7.503 1.00 0.34 P ATOM 412 OP1 DC A 14 5.372 1.653 -8.152 1.00 0.39 O ATOM 413 OP2 DC A 14 3.093 0.855 -7.296 1.00 0.41 O ATOM 414 O5' DC A 14 4.367 2.636 -6.079 1.00 0.29 O ATOM 415 C5' DC A 14 5.247 3.760 -5.987 1.00 0.28 C ATOM 416 C4' DC A 14 5.456 4.194 -4.539 1.00 0.31 C ATOM 417 O4' DC A 14 4.192 4.477 -3.938 1.00 0.39 O ATOM 418 C3' DC A 14 6.148 3.141 -3.666 1.00 0.31 C ATOM 419 O3' DC A 14 7.297 3.725 -3.039 1.00 0.39 O ATOM 420 C2' DC A 14 5.114 2.774 -2.606 1.00 0.33 C ATOM 421 C1' DC A 14 4.228 4.005 -2.597 1.00 0.38 C ATOM 422 N1 DC A 14 2.840 3.751 -2.168 1.00 0.39 N ATOM 423 C2 DC A 14 2.444 4.276 -0.949 1.00 0.45 C ATOM 424 O2 DC A 14 3.240 4.922 -0.271 1.00 0.50 O ATOM 425 N3 DC A 14 1.166 4.055 -0.536 1.00 0.48 N ATOM 426 C4 DC A 14 0.312 3.348 -1.288 1.00 0.46 C ATOM 427 N4 DC A 14 -0.933 3.150 -0.853 1.00 0.51 N ATOM 428 C5 DC A 14 0.717 2.806 -2.548 1.00 0.42 C ATOM 429 C6 DC A 14 1.983 3.030 -2.948 1.00 0.38 C ATOM 0 H5' DC A 14 4.837 4.591 -6.561 1.00 0.28 H new ATOM 0 H5'' DC A 14 6.209 3.507 -6.434 1.00 0.28 H new ATOM 0 H4' DC A 14 6.103 5.070 -4.586 1.00 0.31 H new ATOM 0 H3' DC A 14 6.481 2.274 -4.237 1.00 0.31 H new ATOM 0 H2' DC A 14 4.560 1.873 -2.870 1.00 0.33 H new ATOM 0 H2'' DC A 14 5.572 2.593 -1.634 1.00 0.33 H new ATOM 0 H1' DC A 14 4.644 4.714 -1.881 1.00 0.38 H new ATOM 0 H41 DC A 14 -1.591 2.613 -1.418 1.00 0.51 H new ATOM 0 H42 DC A 14 -1.227 3.535 0.044 1.00 0.51 H new ATOM 0 H5 DC A 14 0.031 2.237 -3.158 1.00 0.42 H new ATOM 0 H6 DC A 14 2.323 2.636 -3.894 1.00 0.38 H new ATOM 441 P DG A 15 8.127 2.911 -1.926 1.00 0.47 P ATOM 442 OP1 DG A 15 9.567 3.202 -2.114 1.00 0.57 O ATOM 443 OP2 DG A 15 7.652 1.509 -1.928 1.00 0.50 O ATOM 444 O5' DG A 15 7.650 3.603 -0.553 1.00 0.55 O ATOM 445 C5' DG A 15 7.973 4.968 -0.278 1.00 0.61 C ATOM 446 C4' DG A 15 7.759 5.314 1.193 1.00 0.74 C ATOM 447 O4' DG A 15 6.389 5.082 1.546 1.00 0.74 O ATOM 448 C3' DG A 15 8.605 4.481 2.151 1.00 0.85 C ATOM 449 O3' DG A 15 8.962 5.234 3.317 1.00 0.99 O ATOM 450 C2' DG A 15 7.673 3.337 2.498 1.00 0.85 C ATOM 451 C1' DG A 15 6.340 4.063 2.550 1.00 0.79 C ATOM 452 N9 DG A 15 5.173 3.206 2.268 1.00 0.74 N ATOM 453 C8 DG A 15 4.983 2.330 1.234 1.00 0.70 C ATOM 454 N7 DG A 15 3.831 1.722 1.258 1.00 0.71 N ATOM 455 C5 DG A 15 3.208 2.233 2.392 1.00 0.73 C ATOM 456 C6 DG A 15 1.927 1.943 2.935 1.00 0.77 C ATOM 457 O6 DG A 15 1.076 1.164 2.508 1.00 0.80 O ATOM 458 N1 DG A 15 1.687 2.674 4.090 1.00 0.79 N ATOM 459 C2 DG A 15 2.567 3.573 4.655 1.00 0.80 C ATOM 460 N2 DG A 15 2.158 4.181 5.769 1.00 0.84 N ATOM 461 N3 DG A 15 3.772 3.848 4.146 1.00 0.79 N ATOM 462 C4 DG A 15 4.022 3.143 3.018 1.00 0.75 C ATOM 0 H5' DG A 15 7.357 5.620 -0.898 1.00 0.61 H new ATOM 0 H5'' DG A 15 9.012 5.158 -0.549 1.00 0.61 H new ATOM 0 H4' DG A 15 8.051 6.359 1.293 1.00 0.74 H new ATOM 0 H3' DG A 15 9.553 4.155 1.724 1.00 0.85 H new ATOM 0 H2' DG A 15 7.686 2.550 1.744 1.00 0.85 H new ATOM 0 H2'' DG A 15 7.927 2.871 3.450 1.00 0.85 H new ATOM 0 HO3' DG A 15 9.502 4.676 3.914 1.00 0.99 H new ATOM 0 H1' DG A 15 6.208 4.442 3.563 1.00 0.79 H new ATOM 0 H8 DG A 15 5.723 2.158 0.466 1.00 0.70 H new ATOM 0 H1 DG A 15 0.791 2.536 4.557 1.00 0.79 H new ATOM 0 H21 DG A 15 2.765 4.857 6.233 1.00 0.84 H new ATOM 0 H22 DG A 15 1.238 3.970 6.157 1.00 0.84 H new TER 475 DG A 15