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= -0.0359 (180deg=-0.0359) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -8.814 8.479 10.864 1.00 1.79 O ATOM 2 C5' DC A 1 -8.410 7.445 9.966 1.00 1.72 C ATOM 3 C4' DC A 1 -6.889 7.393 9.826 1.00 1.41 C ATOM 4 O4' DC A 1 -6.524 6.355 8.915 1.00 1.38 O ATOM 5 C3' DC A 1 -6.269 8.694 9.302 1.00 1.30 C ATOM 6 O3' DC A 1 -5.279 9.155 10.228 1.00 1.12 O ATOM 7 C2' DC A 1 -5.604 8.305 7.982 1.00 1.19 C ATOM 8 C1' DC A 1 -5.413 6.811 8.156 1.00 1.15 C ATOM 9 N1 DC A 1 -5.386 6.051 6.891 1.00 1.18 N ATOM 10 C2 DC A 1 -4.214 5.382 6.574 1.00 1.04 C ATOM 11 O2 DC A 1 -3.252 5.432 7.336 1.00 0.93 O ATOM 12 N3 DC A 1 -4.170 4.677 5.410 1.00 1.09 N ATOM 13 C4 DC A 1 -5.229 4.632 4.592 1.00 1.26 C ATOM 14 N4 DC A 1 -5.151 3.934 3.458 1.00 1.32 N ATOM 15 C5 DC A 1 -6.439 5.322 4.916 1.00 1.42 C ATOM 16 C6 DC A 1 -6.475 6.016 6.069 1.00 1.37 C ATOM 0 H5' DC A 1 -8.862 7.613 8.988 1.00 1.72 H new ATOM 0 H5'' DC A 1 -8.777 6.484 10.326 1.00 1.72 H new ATOM 0 H4' DC A 1 -6.509 7.216 10.832 1.00 1.41 H new ATOM 0 H3' DC A 1 -7.004 9.489 9.175 1.00 1.30 H new ATOM 0 H2' DC A 1 -6.233 8.539 7.123 1.00 1.19 H new ATOM 0 H2'' DC A 1 -4.657 8.823 7.834 1.00 1.19 H new ATOM 0 HO5' DC A 1 -9.792 8.489 10.932 1.00 1.79 H new ATOM 0 H1' DC A 1 -4.446 6.648 8.632 1.00 1.15 H new ATOM 0 H41 DC A 1 -5.952 3.893 2.828 1.00 1.32 H new ATOM 0 H42 DC A 1 -4.290 3.441 3.221 1.00 1.32 H new ATOM 0 H5 DC A 1 -7.295 5.288 4.258 1.00 1.42 H new ATOM 0 H6 DC A 1 -7.373 6.549 6.346 1.00 1.37 H new ATOM 29 P DG A 2 -4.479 10.526 9.953 1.00 1.12 P ATOM 30 OP1 DG A 2 -3.952 11.023 11.243 1.00 1.12 O ATOM 31 OP2 DG A 2 -5.334 11.400 9.118 1.00 1.37 O ATOM 32 O5' DG A 2 -3.236 10.035 9.056 1.00 0.92 O ATOM 33 C5' DG A 2 -2.135 9.345 9.655 1.00 0.74 C ATOM 34 C4' DG A 2 -1.055 9.021 8.626 1.00 0.60 C ATOM 35 O4' DG A 2 -1.595 8.170 7.614 1.00 0.57 O ATOM 36 C3' DG A 2 -0.479 10.255 7.916 1.00 0.69 C ATOM 37 O3' DG A 2 0.936 10.311 8.127 1.00 0.66 O ATOM 38 C2' DG A 2 -0.768 10.023 6.433 1.00 0.69 C ATOM 39 C1' DG A 2 -0.980 8.521 6.383 1.00 0.54 C ATOM 40 N9 DG A 2 -1.859 8.076 5.288 1.00 0.58 N ATOM 41 C8 DG A 2 -3.170 8.396 5.059 1.00 0.77 C ATOM 42 N7 DG A 2 -3.669 7.846 3.987 1.00 0.80 N ATOM 43 C5 DG A 2 -2.611 7.107 3.466 1.00 0.61 C ATOM 44 C6 DG A 2 -2.553 6.294 2.303 1.00 0.57 C ATOM 45 O6 DG A 2 -3.443 6.064 1.487 1.00 0.68 O ATOM 46 N1 DG A 2 -1.295 5.728 2.140 1.00 0.40 N ATOM 47 C2 DG A 2 -0.226 5.917 2.991 1.00 0.33 C ATOM 48 N2 DG A 2 0.904 5.289 2.670 1.00 0.35 N ATOM 49 N3 DG A 2 -0.279 6.681 4.085 1.00 0.36 N ATOM 50 C4 DG A 2 -1.498 7.241 4.259 1.00 0.49 C ATOM 0 H5' DG A 2 -2.489 8.423 10.116 1.00 0.74 H new ATOM 0 H5'' DG A 2 -1.710 9.957 10.451 1.00 0.74 H new ATOM 0 H4' DG A 2 -0.251 8.546 9.188 1.00 0.60 H new ATOM 0 H3' DG A 2 -0.910 11.187 8.283 1.00 0.69 H new ATOM 0 H2' DG A 2 -1.649 10.571 6.099 1.00 0.69 H new ATOM 0 H2'' DG A 2 0.062 10.339 5.801 1.00 0.69 H new ATOM 0 H1' DG A 2 -0.015 8.044 6.213 1.00 0.54 H new ATOM 0 H8 DG A 2 -3.740 9.045 5.707 1.00 0.77 H new ATOM 0 H1 DG A 2 -1.151 5.127 1.329 1.00 0.40 H new ATOM 0 H21 DG A 2 1.729 5.390 3.261 1.00 0.35 H new ATOM 0 H22 DG A 2 0.944 4.707 1.833 1.00 0.35 H new ATOM 62 P DC A 3 1.817 11.485 7.461 1.00 0.80 P ATOM 63 OP1 DC A 3 2.971 11.758 8.347 1.00 0.88 O ATOM 64 OP2 DC A 3 0.904 12.586 7.079 1.00 0.95 O ATOM 65 O5' DC A 3 2.368 10.799 6.112 1.00 0.70 O ATOM 66 C5' DC A 3 3.430 9.840 6.166 1.00 0.65 C ATOM 67 C4' DC A 3 3.869 9.407 4.769 1.00 0.58 C ATOM 68 O4' DC A 3 2.751 8.883 4.059 1.00 0.52 O ATOM 69 C3' DC A 3 4.449 10.541 3.915 1.00 0.61 C ATOM 70 O3' DC A 3 5.828 10.276 3.632 1.00 0.61 O ATOM 71 C2' DC A 3 3.647 10.510 2.613 1.00 0.62 C ATOM 72 C1' DC A 3 2.954 9.158 2.680 1.00 0.54 C ATOM 73 N1 DC A 3 1.641 9.115 2.009 1.00 0.54 N ATOM 74 C2 DC A 3 1.553 8.394 0.830 1.00 0.51 C ATOM 75 O2 DC A 3 2.543 7.818 0.384 1.00 0.51 O ATOM 76 N3 DC A 3 0.352 8.346 0.193 1.00 0.52 N ATOM 77 C4 DC A 3 -0.718 8.979 0.691 1.00 0.57 C ATOM 78 N4 DC A 3 -1.880 8.913 0.039 1.00 0.61 N ATOM 79 C5 DC A 3 -0.631 9.725 1.910 1.00 0.64 C ATOM 80 C6 DC A 3 0.563 9.766 2.533 1.00 0.62 C ATOM 0 H5' DC A 3 3.104 8.967 6.732 1.00 0.65 H new ATOM 0 H5'' DC A 3 4.280 10.267 6.699 1.00 0.65 H new ATOM 0 H4' DC A 3 4.653 8.667 4.928 1.00 0.58 H new ATOM 0 H3' DC A 3 4.388 11.506 4.418 1.00 0.61 H new ATOM 0 H2' DC A 3 2.931 11.330 2.559 1.00 0.62 H new ATOM 0 H2'' DC A 3 4.292 10.592 1.738 1.00 0.62 H new ATOM 0 H1' DC A 3 3.583 8.432 2.166 1.00 0.54 H new ATOM 0 H41 DC A 3 -2.701 9.392 0.410 1.00 0.61 H new ATOM 0 H42 DC A 3 -1.948 8.384 -0.830 1.00 0.61 H new ATOM 0 H5 DC A 3 -1.491 10.236 2.316 1.00 0.64 H new ATOM 0 H6 DC A 3 0.667 10.319 3.455 1.00 0.62 H new ATOM 92 P DG A 4 6.696 11.318 2.760 1.00 0.66 P ATOM 93 OP1 DG A 4 8.129 11.056 3.014 1.00 0.71 O ATOM 94 OP2 DG A 4 6.144 12.674 2.981 1.00 0.73 O ATOM 95 O5' DG A 4 6.365 10.883 1.245 1.00 0.60 O ATOM 96 C5' DG A 4 7.119 9.850 0.601 1.00 0.57 C ATOM 97 C4' DG A 4 6.766 9.735 -0.880 1.00 0.52 C ATOM 98 O4' DG A 4 5.376 9.429 -1.023 1.00 0.51 O ATOM 99 C3' DG A 4 7.034 11.014 -1.682 1.00 0.51 C ATOM 100 O3' DG A 4 7.877 10.710 -2.798 1.00 0.53 O ATOM 101 C2' DG A 4 5.660 11.456 -2.180 1.00 0.53 C ATOM 102 C1' DG A 4 4.880 10.154 -2.144 1.00 0.51 C ATOM 103 N9 DG A 4 3.426 10.326 -1.966 1.00 0.52 N ATOM 104 C8 DG A 4 2.760 10.953 -0.949 1.00 0.53 C ATOM 105 N7 DG A 4 1.463 10.934 -1.073 1.00 0.53 N ATOM 106 C5 DG A 4 1.250 10.246 -2.262 1.00 0.52 C ATOM 107 C6 DG A 4 0.033 9.914 -2.916 1.00 0.52 C ATOM 108 O6 DG A 4 -1.116 10.169 -2.563 1.00 0.54 O ATOM 109 N1 DG A 4 0.263 9.217 -4.094 1.00 0.51 N ATOM 110 C2 DG A 4 1.507 8.877 -4.584 1.00 0.51 C ATOM 111 N2 DG A 4 1.526 8.206 -5.734 1.00 0.52 N ATOM 112 N3 DG A 4 2.654 9.187 -3.968 1.00 0.51 N ATOM 113 C4 DG A 4 2.448 9.869 -2.817 1.00 0.51 C ATOM 0 H5' DG A 4 6.929 8.898 1.096 1.00 0.57 H new ATOM 0 H5'' DG A 4 8.184 10.057 0.707 1.00 0.57 H new ATOM 0 H4' DG A 4 7.407 8.946 -1.273 1.00 0.52 H new ATOM 0 H3' DG A 4 7.528 11.784 -1.089 1.00 0.51 H new ATOM 0 H2' DG A 4 5.217 12.215 -1.536 1.00 0.53 H new ATOM 0 H2'' DG A 4 5.706 11.877 -3.184 1.00 0.53 H new ATOM 0 H1' DG A 4 5.014 9.650 -3.101 1.00 0.51 H new ATOM 0 H8 DG A 4 3.264 11.422 -0.117 1.00 0.53 H new ATOM 0 H1 DG A 4 -0.551 8.934 -4.640 1.00 0.51 H new ATOM 0 H21 DG A 4 2.416 7.927 -6.147 1.00 0.52 H new ATOM 0 H22 DG A 4 0.651 7.972 -6.202 1.00 0.52 H new ATOM 125 P DA A 5 8.223 11.842 -3.891 1.00 0.51 P ATOM 126 OP1 DA A 5 9.556 11.545 -4.462 1.00 0.55 O ATOM 127 OP2 DA A 5 7.959 13.165 -3.284 1.00 0.63 O ATOM 128 O5' DA A 5 7.117 11.580 -5.032 1.00 0.40 O ATOM 129 C5' DA A 5 7.259 10.488 -5.944 1.00 0.36 C ATOM 130 C4' DA A 5 6.196 10.532 -7.039 1.00 0.36 C ATOM 131 O4' DA A 5 4.898 10.409 -6.453 1.00 0.40 O ATOM 132 C3' DA A 5 6.206 11.827 -7.859 1.00 0.39 C ATOM 133 O3' DA A 5 6.256 11.512 -9.255 1.00 0.45 O ATOM 134 C2' DA A 5 4.877 12.499 -7.531 1.00 0.34 C ATOM 135 C1' DA A 5 4.024 11.314 -7.116 1.00 0.33 C ATOM 136 N9 DA A 5 2.933 11.654 -6.185 1.00 0.31 N ATOM 137 C8 DA A 5 3.002 12.314 -4.985 1.00 0.34 C ATOM 138 N7 DA A 5 1.848 12.465 -4.398 1.00 0.35 N ATOM 139 C5 DA A 5 0.948 11.863 -5.272 1.00 0.32 C ATOM 140 C6 DA A 5 -0.444 11.686 -5.228 1.00 0.35 C ATOM 141 N6 DA A 5 -1.202 12.124 -4.223 1.00 0.40 N ATOM 142 N1 DA A 5 -1.017 11.044 -6.260 1.00 0.35 N ATOM 143 C2 DA A 5 -0.254 10.612 -7.258 1.00 0.33 C ATOM 144 N3 DA A 5 1.057 10.717 -7.413 1.00 0.31 N ATOM 145 C4 DA A 5 1.602 11.365 -6.363 1.00 0.30 C ATOM 0 H5' DA A 5 7.184 9.546 -5.400 1.00 0.36 H new ATOM 0 H5'' DA A 5 8.250 10.517 -6.396 1.00 0.36 H new ATOM 0 H4' DA A 5 6.429 9.705 -7.710 1.00 0.36 H new ATOM 0 H3' DA A 5 7.063 12.461 -7.631 1.00 0.39 H new ATOM 0 H2' DA A 5 4.976 13.232 -6.730 1.00 0.34 H new ATOM 0 H2'' DA A 5 4.460 13.022 -8.392 1.00 0.34 H new ATOM 0 H1' DA A 5 3.551 10.907 -8.010 1.00 0.33 H new ATOM 0 H8 DA A 5 3.929 12.676 -4.564 1.00 0.34 H new ATOM 0 H61 DA A 5 -2.210 11.969 -4.240 1.00 0.40 H new ATOM 0 H62 DA A 5 -0.774 12.614 -3.437 1.00 0.40 H new ATOM 0 H2 DA A 5 -0.776 10.104 -8.055 1.00 0.33 H new ATOM 157 P DA A 6 6.369 12.688 -10.351 1.00 0.50 P ATOM 158 OP1 DA A 6 6.909 12.108 -11.600 1.00 0.61 O ATOM 159 OP2 DA A 6 7.046 13.842 -9.720 1.00 0.53 O ATOM 160 O5' DA A 6 4.829 13.086 -10.605 1.00 0.45 O ATOM 161 C5' DA A 6 4.037 12.355 -11.546 1.00 0.47 C ATOM 162 C4' DA A 6 2.669 13.002 -11.751 1.00 0.43 C ATOM 163 O4' DA A 6 1.929 12.963 -10.529 1.00 0.35 O ATOM 164 C3' DA A 6 2.736 14.471 -12.192 1.00 0.49 C ATOM 165 O3' DA A 6 1.996 14.642 -13.408 1.00 0.55 O ATOM 166 C2' DA A 6 2.058 15.242 -11.061 1.00 0.43 C ATOM 167 C1' DA A 6 1.180 14.168 -10.446 1.00 0.32 C ATOM 168 N9 DA A 6 0.834 14.404 -9.033 1.00 0.29 N ATOM 169 C8 DA A 6 1.664 14.635 -7.968 1.00 0.33 C ATOM 170 N7 DA A 6 1.035 14.837 -6.842 1.00 0.36 N ATOM 171 C5 DA A 6 -0.309 14.731 -7.190 1.00 0.32 C ATOM 172 C6 DA A 6 -1.495 14.845 -6.446 1.00 0.36 C ATOM 173 N6 DA A 6 -1.515 15.104 -5.139 1.00 0.45 N ATOM 174 N1 DA A 6 -2.655 14.681 -7.106 1.00 0.33 N ATOM 175 C2 DA A 6 -2.628 14.425 -8.408 1.00 0.28 C ATOM 176 N3 DA A 6 -1.585 14.298 -9.212 1.00 0.25 N ATOM 177 C4 DA A 6 -0.439 14.466 -8.522 1.00 0.27 C ATOM 0 H5' DA A 6 3.907 11.331 -11.196 1.00 0.47 H new ATOM 0 H5'' DA A 6 4.561 12.301 -12.500 1.00 0.47 H new ATOM 0 H4' DA A 6 2.192 12.429 -12.546 1.00 0.43 H new ATOM 0 H3' DA A 6 3.756 14.809 -12.374 1.00 0.49 H new ATOM 0 H2' DA A 6 2.779 15.641 -10.347 1.00 0.43 H new ATOM 0 H2'' DA A 6 1.476 16.086 -11.431 1.00 0.43 H new ATOM 0 H1' DA A 6 0.233 14.146 -10.985 1.00 0.32 H new ATOM 0 H8 DA A 6 2.741 14.649 -8.052 1.00 0.33 H new ATOM 0 H61 DA A 6 -2.406 15.176 -4.647 1.00 0.45 H new ATOM 0 H62 DA A 6 -0.640 15.230 -4.631 1.00 0.45 H new ATOM 0 H2 DA A 6 -3.593 14.303 -8.877 1.00 0.28 H new ATOM 189 P DG A 7 0.485 14.100 -13.542 1.00 0.50 P ATOM 190 OP1 DG A 7 0.402 12.788 -12.861 1.00 0.47 O ATOM 191 OP2 DG A 7 0.073 14.221 -14.958 1.00 0.58 O ATOM 192 O5' DG A 7 -0.359 15.168 -12.679 1.00 0.45 O ATOM 193 C5' DG A 7 -0.809 16.394 -13.268 1.00 0.50 C ATOM 194 C4' DG A 7 -1.639 17.214 -12.284 1.00 0.46 C ATOM 195 O4' DG A 7 -0.875 17.466 -11.103 1.00 0.52 O ATOM 196 C3' DG A 7 -2.094 18.573 -12.830 1.00 0.52 C ATOM 197 O3' DG A 7 -3.515 18.685 -12.695 1.00 0.44 O ATOM 198 C2' DG A 7 -1.408 19.599 -11.932 1.00 0.64 C ATOM 199 C1' DG A 7 -1.158 18.792 -10.672 1.00 0.60 C ATOM 200 N9 DG A 7 -0.016 19.258 -9.865 1.00 0.75 N ATOM 201 C8 DG A 7 1.242 19.607 -10.280 1.00 0.84 C ATOM 202 N7 DG A 7 2.036 19.976 -9.313 1.00 0.96 N ATOM 203 C5 DG A 7 1.247 19.864 -8.173 1.00 0.98 C ATOM 204 C6 DG A 7 1.569 20.131 -6.814 1.00 1.15 C ATOM 205 O6 DG A 7 2.635 20.526 -6.346 1.00 1.28 O ATOM 206 N1 DG A 7 0.488 19.889 -5.977 1.00 1.19 N ATOM 207 C2 DG A 7 -0.750 19.445 -6.394 1.00 1.08 C ATOM 208 N2 DG A 7 -1.665 19.269 -5.441 1.00 1.18 N ATOM 209 N3 DG A 7 -1.054 19.193 -7.671 1.00 0.90 N ATOM 210 C4 DG A 7 -0.011 19.425 -8.501 1.00 0.86 C ATOM 0 H5' DG A 7 -1.404 16.176 -14.155 1.00 0.50 H new ATOM 0 H5'' DG A 7 0.050 16.978 -13.596 1.00 0.50 H new ATOM 0 H4' DG A 7 -2.529 16.616 -12.086 1.00 0.46 H new ATOM 0 H3' DG A 7 -1.844 18.710 -13.882 1.00 0.52 H new ATOM 0 H2' DG A 7 -0.482 19.971 -12.370 1.00 0.64 H new ATOM 0 H2'' DG A 7 -2.042 20.466 -11.743 1.00 0.64 H new ATOM 0 H1' DG A 7 -2.038 18.883 -10.035 1.00 0.60 H new ATOM 0 H8 DG A 7 1.549 19.579 -11.315 1.00 0.84 H new ATOM 0 H1 DG A 7 0.619 20.052 -4.979 1.00 1.19 H new ATOM 0 H21 DG A 7 -2.600 18.942 -5.686 1.00 1.18 H new ATOM 0 H22 DG A 7 -1.430 19.461 -4.467 1.00 1.18 H new ATOM 222 P DC A 8 -4.271 20.062 -13.049 1.00 0.52 P ATOM 223 OP1 DC A 8 -5.558 19.731 -13.701 1.00 0.54 O ATOM 224 OP2 DC A 8 -3.308 20.956 -13.730 1.00 0.66 O ATOM 225 O5' DC A 8 -4.587 20.678 -11.594 1.00 0.51 O ATOM 226 C5' DC A 8 -5.377 19.944 -10.654 1.00 0.43 C ATOM 227 C4' DC A 8 -5.763 20.799 -9.450 1.00 0.51 C ATOM 228 O4' DC A 8 -4.589 21.362 -8.865 1.00 0.60 O ATOM 229 C3' DC A 8 -6.705 21.964 -9.782 1.00 0.58 C ATOM 230 O3' DC A 8 -7.904 21.843 -9.006 1.00 0.62 O ATOM 231 C2' DC A 8 -5.941 23.218 -9.360 1.00 0.69 C ATOM 232 C1' DC A 8 -4.927 22.654 -8.379 1.00 0.70 C ATOM 233 N1 DC A 8 -3.683 23.438 -8.272 1.00 0.80 N ATOM 234 C2 DC A 8 -3.599 24.360 -7.242 1.00 1.04 C ATOM 235 O2 DC A 8 -4.540 24.504 -6.465 1.00 1.23 O ATOM 236 N3 DC A 8 -2.458 25.094 -7.124 1.00 1.14 N ATOM 237 C4 DC A 8 -1.441 24.926 -7.981 1.00 1.04 C ATOM 238 N4 DC A 8 -0.338 25.659 -7.836 1.00 1.17 N ATOM 239 C5 DC A 8 -1.525 23.973 -9.044 1.00 0.95 C ATOM 240 C6 DC A 8 -2.658 23.253 -9.152 1.00 0.83 C ATOM 0 H5' DC A 8 -4.821 19.070 -10.316 1.00 0.43 H new ATOM 0 H5'' DC A 8 -6.279 19.578 -11.144 1.00 0.43 H new ATOM 0 H4' DC A 8 -6.288 20.124 -8.773 1.00 0.51 H new ATOM 0 H3' DC A 8 -6.987 21.987 -10.835 1.00 0.58 H new ATOM 0 H2' DC A 8 -5.461 23.708 -10.207 1.00 0.69 H new ATOM 0 H2'' DC A 8 -6.594 23.956 -8.893 1.00 0.69 H new ATOM 0 H1' DC A 8 -5.377 22.661 -7.386 1.00 0.70 H new ATOM 0 H41 DC A 8 0.442 25.540 -8.482 1.00 1.17 H new ATOM 0 H42 DC A 8 -0.274 26.339 -7.079 1.00 1.17 H new ATOM 0 H5 DC A 8 -0.708 23.835 -9.737 1.00 0.95 H new ATOM 0 H6 DC A 8 -2.756 22.523 -9.942 1.00 0.83 H new ATOM 252 P DA A 9 -8.996 23.028 -9.000 1.00 0.76 P ATOM 253 OP1 DA A 9 -9.079 23.586 -10.368 1.00 0.80 O ATOM 254 OP2 DA A 9 -8.705 23.920 -7.856 1.00 0.93 O ATOM 255 O5' DA A 9 -10.372 22.246 -8.692 1.00 0.72 O ATOM 256 C5' DA A 9 -10.661 21.766 -7.375 1.00 0.75 C ATOM 257 C4' DA A 9 -10.666 20.240 -7.325 1.00 0.62 C ATOM 258 O4' DA A 9 -9.384 19.751 -7.702 1.00 0.53 O ATOM 259 C3' DA A 9 -10.983 19.650 -5.941 1.00 0.69 C ATOM 260 O3' DA A 9 -12.178 18.862 -6.027 1.00 0.70 O ATOM 261 C2' DA A 9 -9.786 18.752 -5.615 1.00 0.64 C ATOM 262 C1' DA A 9 -9.161 18.546 -6.987 1.00 0.50 C ATOM 263 N9 DA A 9 -7.705 18.286 -6.991 1.00 0.46 N ATOM 264 C8 DA A 9 -6.750 18.613 -6.057 1.00 0.54 C ATOM 265 N7 DA A 9 -5.543 18.244 -6.385 1.00 0.52 N ATOM 266 C5 DA A 9 -5.707 17.630 -7.622 1.00 0.41 C ATOM 267 C6 DA A 9 -4.802 17.022 -8.509 1.00 0.37 C ATOM 268 N6 DA A 9 -3.495 16.930 -8.269 1.00 0.45 N ATOM 269 N1 DA A 9 -5.304 16.514 -9.648 1.00 0.32 N ATOM 270 C2 DA A 9 -6.608 16.609 -9.880 1.00 0.28 C ATOM 271 N3 DA A 9 -7.551 17.152 -9.130 1.00 0.30 N ATOM 272 C4 DA A 9 -7.019 17.651 -7.997 1.00 0.37 C ATOM 0 H5' DA A 9 -11.631 22.145 -7.053 1.00 0.75 H new ATOM 0 H5'' DA A 9 -9.920 22.152 -6.675 1.00 0.75 H new ATOM 0 H4' DA A 9 -11.457 19.932 -8.008 1.00 0.62 H new ATOM 0 H3' DA A 9 -11.140 20.415 -5.181 1.00 0.69 H new ATOM 0 H2' DA A 9 -9.095 19.229 -4.920 1.00 0.64 H new ATOM 0 H2'' DA A 9 -10.094 17.810 -5.162 1.00 0.64 H new ATOM 0 H1' DA A 9 -9.619 17.657 -7.421 1.00 0.50 H new ATOM 0 H8 DA A 9 -6.979 19.128 -5.136 1.00 0.54 H new ATOM 0 H61 DA A 9 -2.882 16.478 -8.948 1.00 0.45 H new ATOM 0 H62 DA A 9 -3.107 17.312 -7.406 1.00 0.45 H new ATOM 0 H2 DA A 9 -6.946 16.182 -10.813 1.00 0.28 H new ATOM 284 P DT A 10 -12.464 17.666 -4.982 1.00 0.74 P ATOM 285 OP1 DT A 10 -13.927 17.457 -4.900 1.00 0.85 O ATOM 286 OP2 DT A 10 -11.687 17.928 -3.750 1.00 0.82 O ATOM 287 O5' DT A 10 -11.817 16.393 -5.722 1.00 0.63 O ATOM 288 C5' DT A 10 -12.257 16.014 -7.029 1.00 0.57 C ATOM 289 C4' DT A 10 -11.270 15.061 -7.696 1.00 0.48 C ATOM 290 O4' DT A 10 -9.944 15.546 -7.506 1.00 0.43 O ATOM 291 C3' DT A 10 -11.309 13.635 -7.139 1.00 0.52 C ATOM 292 O3' DT A 10 -11.772 12.746 -8.160 1.00 0.55 O ATOM 293 C2' DT A 10 -9.857 13.300 -6.783 1.00 0.50 C ATOM 294 C1' DT A 10 -9.074 14.424 -7.446 1.00 0.40 C ATOM 295 N1 DT A 10 -7.864 14.832 -6.704 1.00 0.39 N ATOM 296 C2 DT A 10 -6.649 14.708 -7.348 1.00 0.32 C ATOM 297 O2 DT A 10 -6.559 14.289 -8.500 1.00 0.28 O ATOM 298 N3 DT A 10 -5.536 15.087 -6.621 1.00 0.33 N ATOM 299 C4 DT A 10 -5.535 15.574 -5.326 1.00 0.42 C ATOM 300 O4 DT A 10 -4.482 15.881 -4.772 1.00 0.46 O ATOM 301 C5 DT A 10 -6.851 15.671 -4.734 1.00 0.49 C ATOM 302 C7 DT A 10 -6.995 16.195 -3.309 1.00 0.60 C ATOM 303 C6 DT A 10 -7.950 15.305 -5.422 1.00 0.47 C ATOM 0 H5' DT A 10 -12.378 16.904 -7.646 1.00 0.57 H new ATOM 0 H5'' DT A 10 -13.235 15.538 -6.961 1.00 0.57 H new ATOM 0 H4' DT A 10 -11.560 15.023 -8.746 1.00 0.48 H new ATOM 0 H3' DT A 10 -11.971 13.542 -6.278 1.00 0.52 H new ATOM 0 H2' DT A 10 -9.700 13.280 -5.705 1.00 0.50 H new ATOM 0 H2'' DT A 10 -9.563 12.323 -7.166 1.00 0.50 H new ATOM 0 H1' DT A 10 -8.740 14.068 -8.420 1.00 0.40 H new ATOM 0 H3 DT A 10 -4.631 14.999 -7.083 1.00 0.33 H new ATOM 0 H71 DT A 10 -7.958 16.695 -3.201 1.00 0.60 H new ATOM 0 H72 DT A 10 -6.937 15.363 -2.608 1.00 0.60 H new ATOM 0 H73 DT A 10 -6.193 16.903 -3.099 1.00 0.60 H new ATOM 0 H6 DT A 10 -8.919 15.386 -4.952 1.00 0.47 H new ATOM 316 P DT A 11 -11.640 11.152 -7.979 1.00 0.62 P ATOM 317 OP1 DT A 11 -12.652 10.501 -8.842 1.00 0.71 O ATOM 318 OP2 DT A 11 -11.603 10.853 -6.531 1.00 0.70 O ATOM 319 O5' DT A 11 -10.184 10.849 -8.594 1.00 0.57 O ATOM 320 C5' DT A 11 -9.927 11.056 -9.986 1.00 0.54 C ATOM 321 C4' DT A 11 -8.567 10.499 -10.394 1.00 0.51 C ATOM 322 O4' DT A 11 -7.535 11.165 -9.660 1.00 0.47 O ATOM 323 C3' DT A 11 -8.411 8.997 -10.134 1.00 0.57 C ATOM 324 O3' DT A 11 -7.955 8.352 -11.327 1.00 0.60 O ATOM 325 C2' DT A 11 -7.339 8.903 -9.054 1.00 0.56 C ATOM 326 C1' DT A 11 -6.572 10.193 -9.271 1.00 0.47 C ATOM 327 N1 DT A 11 -5.879 10.698 -8.070 1.00 0.44 N ATOM 328 C2 DT A 11 -4.500 10.763 -8.110 1.00 0.41 C ATOM 329 O2 DT A 11 -3.857 10.412 -9.097 1.00 0.43 O ATOM 330 N3 DT A 11 -3.882 11.245 -6.971 1.00 0.40 N ATOM 331 C4 DT A 11 -4.517 11.660 -5.813 1.00 0.42 C ATOM 332 O4 DT A 11 -3.868 12.074 -4.855 1.00 0.43 O ATOM 333 C5 DT A 11 -5.957 11.556 -5.864 1.00 0.45 C ATOM 334 C7 DT A 11 -6.782 11.983 -4.655 1.00 0.52 C ATOM 335 C6 DT A 11 -6.583 11.089 -6.964 1.00 0.46 C ATOM 0 H5' DT A 11 -9.966 12.122 -10.209 1.00 0.54 H new ATOM 0 H5'' DT A 11 -10.709 10.578 -10.576 1.00 0.54 H new ATOM 0 H4' DT A 11 -8.489 10.668 -11.468 1.00 0.51 H new ATOM 0 H3' DT A 11 -9.345 8.522 -9.834 1.00 0.57 H new ATOM 0 H2' DT A 11 -7.769 8.845 -8.054 1.00 0.56 H new ATOM 0 H2'' DT A 11 -6.707 8.024 -9.180 1.00 0.56 H new ATOM 0 H1' DT A 11 -5.797 10.003 -10.014 1.00 0.47 H new ATOM 0 H3 DT A 11 -2.864 11.300 -6.985 1.00 0.40 H new ATOM 0 H71 DT A 11 -7.753 12.348 -4.988 1.00 0.52 H new ATOM 0 H72 DT A 11 -6.923 11.130 -3.991 1.00 0.52 H new ATOM 0 H73 DT A 11 -6.260 12.776 -4.120 1.00 0.52 H new ATOM 0 H6 DT A 11 -7.661 11.023 -6.972 1.00 0.46 H new ATOM 348 P DC A 12 -7.627 6.775 -11.326 1.00 0.65 P ATOM 349 OP1 DC A 12 -7.741 6.275 -12.714 1.00 0.75 O ATOM 350 OP2 DC A 12 -8.415 6.140 -10.246 1.00 0.73 O ATOM 351 O5' DC A 12 -6.073 6.738 -10.903 1.00 0.56 O ATOM 352 C5' DC A 12 -5.056 7.092 -11.844 1.00 0.55 C ATOM 353 C4' DC A 12 -3.661 6.816 -11.291 1.00 0.51 C ATOM 354 O4' DC A 12 -3.409 7.668 -10.169 1.00 0.52 O ATOM 355 C3' DC A 12 -3.458 5.372 -10.816 1.00 0.46 C ATOM 356 O3' DC A 12 -2.279 4.829 -11.423 1.00 0.49 O ATOM 357 C2' DC A 12 -3.257 5.494 -9.310 1.00 0.42 C ATOM 358 C1' DC A 12 -2.711 6.902 -9.194 1.00 0.46 C ATOM 359 N1 DC A 12 -2.919 7.534 -7.877 1.00 0.45 N ATOM 360 C2 DC A 12 -1.794 7.966 -7.194 1.00 0.47 C ATOM 361 O2 DC A 12 -0.678 7.815 -7.687 1.00 0.49 O ATOM 362 N3 DC A 12 -1.963 8.550 -5.975 1.00 0.47 N ATOM 363 C4 DC A 12 -3.185 8.705 -5.451 1.00 0.48 C ATOM 364 N4 DC A 12 -3.315 9.281 -4.256 1.00 0.49 N ATOM 365 C5 DC A 12 -4.350 8.260 -6.154 1.00 0.47 C ATOM 366 C6 DC A 12 -4.171 7.683 -7.357 1.00 0.46 C ATOM 0 H5' DC A 12 -5.145 8.148 -12.098 1.00 0.55 H new ATOM 0 H5'' DC A 12 -5.201 6.529 -12.766 1.00 0.55 H new ATOM 0 H4' DC A 12 -2.976 7.003 -12.118 1.00 0.51 H new ATOM 0 H3' DC A 12 -4.292 4.720 -11.074 1.00 0.46 H new ATOM 0 H2' DC A 12 -4.190 5.369 -8.760 1.00 0.42 H new ATOM 0 H2'' DC A 12 -2.559 4.750 -8.927 1.00 0.42 H new ATOM 0 H1' DC A 12 -1.631 6.862 -9.336 1.00 0.46 H new ATOM 0 H41 DC A 12 -4.241 9.404 -3.847 1.00 0.49 H new ATOM 0 H42 DC A 12 -2.488 9.599 -3.750 1.00 0.49 H new ATOM 0 H5 DC A 12 -5.337 8.383 -5.734 1.00 0.47 H new ATOM 0 H6 DC A 12 -5.027 7.335 -7.916 1.00 0.46 H new ATOM 378 P DG A 13 -1.861 3.295 -11.164 1.00 0.50 P ATOM 379 OP1 DG A 13 -1.050 2.833 -12.313 1.00 0.59 O ATOM 380 OP2 DG A 13 -3.075 2.545 -10.772 1.00 0.48 O ATOM 381 O5' DG A 13 -0.898 3.399 -9.878 1.00 0.48 O ATOM 382 C5' DG A 13 0.516 3.558 -10.037 1.00 0.55 C ATOM 383 C4' DG A 13 1.241 3.513 -8.695 1.00 0.56 C ATOM 384 O4' DG A 13 0.792 4.591 -7.865 1.00 0.53 O ATOM 385 C3' DG A 13 1.011 2.215 -7.913 1.00 0.52 C ATOM 386 O3' DG A 13 2.272 1.667 -7.511 1.00 0.62 O ATOM 387 C2' DG A 13 0.219 2.645 -6.684 1.00 0.43 C ATOM 388 C1' DG A 13 0.642 4.093 -6.540 1.00 0.46 C ATOM 389 N9 DG A 13 -0.342 4.940 -5.839 1.00 0.41 N ATOM 390 C8 DG A 13 -1.647 5.186 -6.171 1.00 0.40 C ATOM 391 N7 DG A 13 -2.269 5.969 -5.335 1.00 0.43 N ATOM 392 C5 DG A 13 -1.307 6.265 -4.376 1.00 0.41 C ATOM 393 C6 DG A 13 -1.403 7.076 -3.213 1.00 0.45 C ATOM 394 O6 DG A 13 -2.376 7.700 -2.795 1.00 0.51 O ATOM 395 N1 DG A 13 -0.203 7.112 -2.517 1.00 0.43 N ATOM 396 C2 DG A 13 0.949 6.449 -2.890 1.00 0.43 C ATOM 397 N2 DG A 13 2.005 6.604 -2.093 1.00 0.47 N ATOM 398 N3 DG A 13 1.041 5.686 -3.984 1.00 0.44 N ATOM 399 C4 DG A 13 -0.122 5.640 -4.676 1.00 0.41 C ATOM 0 H5' DG A 13 0.723 4.507 -10.531 1.00 0.55 H new ATOM 0 H5'' DG A 13 0.901 2.771 -10.685 1.00 0.55 H new ATOM 0 H4' DG A 13 2.302 3.586 -8.933 1.00 0.56 H new ATOM 0 H3' DG A 13 0.492 1.457 -8.499 1.00 0.52 H new ATOM 0 H2' DG A 13 -0.856 2.545 -6.834 1.00 0.43 H new ATOM 0 H2'' DG A 13 0.475 2.054 -5.804 1.00 0.43 H new ATOM 0 H1' DG A 13 1.553 4.127 -5.943 1.00 0.46 H new ATOM 0 H8 DG A 13 -2.119 4.768 -7.048 1.00 0.40 H new ATOM 0 H1 DG A 13 -0.170 7.671 -1.665 1.00 0.43 H new ATOM 0 H21 DG A 13 2.885 6.139 -2.316 1.00 0.47 H new ATOM 0 H22 DG A 13 1.934 7.188 -1.260 1.00 0.47 H new ATOM 411 P DC A 14 2.335 0.263 -6.725 1.00 0.67 P ATOM 412 OP1 DC A 14 3.576 -0.438 -7.124 1.00 0.85 O ATOM 413 OP2 DC A 14 1.027 -0.412 -6.877 1.00 0.68 O ATOM 414 O5' DC A 14 2.487 0.723 -5.190 1.00 0.62 O ATOM 415 C5' DC A 14 3.739 1.217 -4.704 1.00 0.70 C ATOM 416 C4' DC A 14 3.689 1.496 -3.204 1.00 0.70 C ATOM 417 O4' DC A 14 2.696 2.479 -2.932 1.00 0.57 O ATOM 418 C3' DC A 14 3.342 0.270 -2.352 1.00 0.77 C ATOM 419 O3' DC A 14 4.482 -0.107 -1.572 1.00 0.97 O ATOM 420 C2' DC A 14 2.215 0.736 -1.425 1.00 0.63 C ATOM 421 C1' DC A 14 2.229 2.246 -1.612 1.00 0.51 C ATOM 422 N1 DC A 14 0.908 2.886 -1.477 1.00 0.40 N ATOM 423 C2 DC A 14 0.706 3.700 -0.376 1.00 0.40 C ATOM 424 O2 DC A 14 1.613 3.872 0.435 1.00 0.44 O ATOM 425 N3 DC A 14 -0.510 4.295 -0.225 1.00 0.46 N ATOM 426 C4 DC A 14 -1.487 4.098 -1.121 1.00 0.52 C ATOM 427 N4 DC A 14 -2.666 4.693 -0.943 1.00 0.68 N ATOM 428 C5 DC A 14 -1.281 3.258 -2.260 1.00 0.49 C ATOM 429 C6 DC A 14 -0.075 2.674 -2.399 1.00 0.43 C ATOM 0 H5' DC A 14 4.001 2.131 -5.236 1.00 0.70 H new ATOM 0 H5'' DC A 14 4.524 0.490 -4.913 1.00 0.70 H new ATOM 0 H4' DC A 14 4.694 1.825 -2.938 1.00 0.70 H new ATOM 0 H3' DC A 14 3.049 -0.588 -2.958 1.00 0.77 H new ATOM 0 H2' DC A 14 1.255 0.302 -1.705 1.00 0.63 H new ATOM 0 H2'' DC A 14 2.401 0.455 -0.388 1.00 0.63 H new ATOM 0 H1' DC A 14 2.857 2.676 -0.832 1.00 0.51 H new ATOM 0 H41 DC A 14 -3.417 4.550 -1.619 1.00 0.68 H new ATOM 0 H42 DC A 14 -2.818 5.291 -0.131 1.00 0.68 H new ATOM 0 H5 DC A 14 -2.066 3.097 -2.984 1.00 0.49 H new ATOM 0 H6 DC A 14 0.115 2.033 -3.247 1.00 0.43 H new ATOM 441 P DG A 15 4.363 -1.270 -0.464 1.00 1.15 P ATOM 442 OP1 DG A 15 5.685 -1.923 -0.333 1.00 1.38 O ATOM 443 OP2 DG A 15 3.167 -2.084 -0.774 1.00 1.17 O ATOM 444 O5' DG A 15 4.073 -0.444 0.888 1.00 1.12 O ATOM 445 C5' DG A 15 5.084 0.392 1.457 1.00 1.17 C ATOM 446 C4' DG A 15 4.741 0.797 2.888 1.00 1.18 C ATOM 447 O4' DG A 15 3.513 1.539 2.895 1.00 0.94 O ATOM 448 C3' DG A 15 4.550 -0.386 3.835 1.00 1.41 C ATOM 449 O3' DG A 15 5.028 -0.080 5.150 1.00 1.53 O ATOM 450 C2' DG A 15 3.045 -0.577 3.829 1.00 1.32 C ATOM 451 C1' DG A 15 2.579 0.863 3.741 1.00 1.01 C ATOM 452 N9 DG A 15 1.234 1.034 3.159 1.00 0.89 N ATOM 453 C8 DG A 15 0.722 0.490 2.011 1.00 0.94 C ATOM 454 N7 DG A 15 -0.508 0.842 1.762 1.00 0.93 N ATOM 455 C5 DG A 15 -0.838 1.680 2.823 1.00 0.84 C ATOM 456 C6 DG A 15 -2.051 2.368 3.097 1.00 0.89 C ATOM 457 O6 DG A 15 -3.090 2.372 2.440 1.00 1.04 O ATOM 458 N1 DG A 15 -1.965 3.104 4.270 1.00 0.82 N ATOM 459 C2 DG A 15 -0.851 3.172 5.082 1.00 0.73 C ATOM 460 N2 DG A 15 -0.960 3.933 6.171 1.00 0.73 N ATOM 461 N3 DG A 15 0.290 2.526 4.825 1.00 0.74 N ATOM 462 C4 DG A 15 0.224 1.802 3.684 1.00 0.79 C ATOM 0 H5' DG A 15 5.205 1.286 0.845 1.00 1.17 H new ATOM 0 H5'' DG A 15 6.039 -0.133 1.446 1.00 1.17 H new ATOM 0 H4' DG A 15 5.590 1.384 3.239 1.00 1.18 H new ATOM 0 H3' DG A 15 5.101 -1.276 3.531 1.00 1.41 H new ATOM 0 H2' DG A 15 2.707 -1.174 2.982 1.00 1.32 H new ATOM 0 H2'' DG A 15 2.687 -1.073 4.731 1.00 1.32 H new ATOM 0 HO3' DG A 15 4.892 -0.854 5.736 1.00 1.53 H new ATOM 0 H1' DG A 15 2.526 1.258 4.756 1.00 1.01 H new ATOM 0 H8 DG A 15 1.287 -0.171 1.370 1.00 0.94 H new ATOM 0 H1 DG A 15 -2.788 3.635 4.554 1.00 0.82 H new ATOM 0 H21 DG A 15 -0.171 4.024 6.811 1.00 0.73 H new ATOM 0 H22 DG A 15 -1.833 4.425 6.364 1.00 0.73 H new TER 475 DG A 15