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 32:sc=0.000434 USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -9.096 6.552 8.824 1.00 0.75 O ATOM 2 C5' DC A 1 -8.393 6.350 10.052 1.00 0.71 C ATOM 3 C4' DC A 1 -6.884 6.490 9.858 1.00 0.60 C ATOM 4 O4' DC A 1 -6.431 5.520 8.912 1.00 0.65 O ATOM 5 C3' DC A 1 -6.449 7.866 9.339 1.00 0.43 C ATOM 6 O3' DC A 1 -5.496 8.434 10.244 1.00 0.41 O ATOM 7 C2' DC A 1 -5.782 7.583 7.994 1.00 0.40 C ATOM 8 C1' DC A 1 -5.405 6.120 8.132 1.00 0.53 C ATOM 9 N1 DC A 1 -5.322 5.390 6.852 1.00 0.58 N ATOM 10 C2 DC A 1 -4.094 4.853 6.502 1.00 0.59 C ATOM 11 O2 DC A 1 -3.125 4.996 7.246 1.00 0.61 O ATOM 12 N3 DC A 1 -3.997 4.174 5.328 1.00 0.65 N ATOM 13 C4 DC A 1 -5.063 4.028 4.528 1.00 0.73 C ATOM 14 N4 DC A 1 -4.934 3.357 3.383 1.00 0.82 N ATOM 15 C5 DC A 1 -6.333 4.579 4.886 1.00 0.76 C ATOM 16 C6 DC A 1 -6.418 5.250 6.051 1.00 0.67 C ATOM 0 H5' DC A 1 -8.621 5.359 10.445 1.00 0.71 H new ATOM 0 H5'' DC A 1 -8.735 7.073 10.792 1.00 0.71 H new ATOM 0 H4' DC A 1 -6.446 6.347 10.846 1.00 0.60 H new ATOM 0 H3' DC A 1 -7.282 8.563 9.247 1.00 0.43 H new ATOM 0 H2' DC A 1 -6.461 7.753 7.158 1.00 0.40 H new ATOM 0 H2'' DC A 1 -4.910 8.216 7.830 1.00 0.40 H new ATOM 0 HO5' DC A 1 -8.543 6.243 8.076 1.00 0.75 H new ATOM 0 H1' DC A 1 -4.411 6.068 8.577 1.00 0.53 H new ATOM 0 H41 DC A 1 -5.739 3.240 2.767 1.00 0.82 H new ATOM 0 H42 DC A 1 -4.031 2.961 3.123 1.00 0.82 H new ATOM 0 H5 DC A 1 -7.194 4.461 4.245 1.00 0.76 H new ATOM 0 H6 DC A 1 -7.361 5.681 6.354 1.00 0.67 H new ATOM 29 P DG A 2 -4.852 9.880 9.954 1.00 0.37 P ATOM 30 OP1 DG A 2 -4.364 10.439 11.234 1.00 0.53 O ATOM 31 OP2 DG A 2 -5.807 10.654 9.129 1.00 0.37 O ATOM 32 O5' DG A 2 -3.576 9.521 9.041 1.00 0.35 O ATOM 33 C5' DG A 2 -2.412 8.924 9.621 1.00 0.40 C ATOM 34 C4' DG A 2 -1.319 8.710 8.578 1.00 0.36 C ATOM 35 O4' DG A 2 -1.796 7.834 7.556 1.00 0.30 O ATOM 36 C3' DG A 2 -0.856 10.000 7.888 1.00 0.37 C ATOM 37 O3' DG A 2 0.551 10.172 8.094 1.00 0.44 O ATOM 38 C2' DG A 2 -1.135 9.773 6.402 1.00 0.31 C ATOM 39 C1' DG A 2 -1.230 8.259 6.324 1.00 0.27 C ATOM 40 N9 DG A 2 -2.091 7.769 5.234 1.00 0.23 N ATOM 41 C8 DG A 2 -3.429 7.984 5.039 1.00 0.26 C ATOM 42 N7 DG A 2 -3.905 7.420 3.965 1.00 0.30 N ATOM 43 C5 DG A 2 -2.802 6.783 3.405 1.00 0.27 C ATOM 44 C6 DG A 2 -2.705 6.003 2.220 1.00 0.32 C ATOM 45 O6 DG A 2 -3.593 5.720 1.418 1.00 0.42 O ATOM 46 N1 DG A 2 -1.410 5.546 2.017 1.00 0.29 N ATOM 47 C2 DG A 2 -0.340 5.804 2.849 1.00 0.26 C ATOM 48 N2 DG A 2 0.830 5.278 2.489 1.00 0.30 N ATOM 49 N3 DG A 2 -0.430 6.535 3.964 1.00 0.24 N ATOM 50 C4 DG A 2 -1.687 6.990 4.177 1.00 0.22 C ATOM 0 H5' DG A 2 -2.678 7.969 10.073 1.00 0.40 H new ATOM 0 H5'' DG A 2 -2.034 9.561 10.421 1.00 0.40 H new ATOM 0 H4' DG A 2 -0.472 8.294 9.123 1.00 0.36 H new ATOM 0 H3' DG A 2 -1.363 10.885 8.273 1.00 0.37 H new ATOM 0 H2' DG A 2 -2.058 10.256 6.082 1.00 0.31 H new ATOM 0 H2'' DG A 2 -0.336 10.164 5.773 1.00 0.31 H new ATOM 0 H1' DG A 2 -0.233 7.864 6.131 1.00 0.27 H new ATOM 0 H8 DG A 2 -4.036 8.569 5.715 1.00 0.26 H new ATOM 0 H1 DG A 2 -1.236 4.976 1.189 1.00 0.29 H new ATOM 0 H21 DG A 2 1.658 5.434 3.064 1.00 0.30 H new ATOM 0 H22 DG A 2 0.898 4.719 1.638 1.00 0.30 H new ATOM 62 P DC A 3 1.324 11.432 7.453 1.00 0.51 P ATOM 63 OP1 DC A 3 2.431 11.809 8.361 1.00 0.66 O ATOM 64 OP2 DC A 3 0.316 12.442 7.063 1.00 0.55 O ATOM 65 O5' DC A 3 1.963 10.814 6.110 1.00 0.40 O ATOM 66 C5' DC A 3 3.084 9.929 6.179 1.00 0.35 C ATOM 67 C4' DC A 3 3.574 9.532 4.788 1.00 0.28 C ATOM 68 O4' DC A 3 2.506 8.933 4.060 1.00 0.27 O ATOM 69 C3' DC A 3 4.086 10.708 3.947 1.00 0.30 C ATOM 70 O3' DC A 3 5.484 10.540 3.685 1.00 0.34 O ATOM 71 C2' DC A 3 3.306 10.626 2.634 1.00 0.29 C ATOM 72 C1' DC A 3 2.708 9.229 2.686 1.00 0.28 C ATOM 73 N1 DC A 3 1.409 9.101 2.000 1.00 0.27 N ATOM 74 C2 DC A 3 1.385 8.398 0.806 1.00 0.31 C ATOM 75 O2 DC A 3 2.421 7.907 0.361 1.00 0.37 O ATOM 76 N3 DC A 3 0.197 8.272 0.154 1.00 0.31 N ATOM 77 C4 DC A 3 -0.922 8.813 0.654 1.00 0.28 C ATOM 78 N4 DC A 3 -2.069 8.671 -0.012 1.00 0.30 N ATOM 79 C5 DC A 3 -0.902 9.539 1.887 1.00 0.27 C ATOM 80 C6 DC A 3 0.278 9.658 2.523 1.00 0.27 C ATOM 0 H5' DC A 3 2.808 9.034 6.737 1.00 0.35 H new ATOM 0 H5'' DC A 3 3.894 10.409 6.727 1.00 0.35 H new ATOM 0 H4' DC A 3 4.406 8.848 4.956 1.00 0.28 H new ATOM 0 H3' DC A 3 3.951 11.665 4.450 1.00 0.30 H new ATOM 0 H2' DC A 3 2.535 11.394 2.572 1.00 0.29 H new ATOM 0 H2'' DC A 3 3.956 10.756 1.768 1.00 0.29 H new ATOM 0 H1' DC A 3 3.393 8.551 2.177 1.00 0.28 H new ATOM 0 H41 DC A 3 -2.928 9.078 0.358 1.00 0.30 H new ATOM 0 H42 DC A 3 -2.087 8.155 -0.892 1.00 0.30 H new ATOM 0 H5 DC A 3 -1.802 9.976 2.293 1.00 0.27 H new ATOM 0 H6 DC A 3 0.331 10.199 3.456 1.00 0.27 H new ATOM 92 P DG A 4 6.300 11.663 2.865 1.00 0.43 P ATOM 93 OP1 DG A 4 7.735 11.534 3.203 1.00 0.51 O ATOM 94 OP2 DG A 4 5.614 12.960 3.051 1.00 0.49 O ATOM 95 O5' DG A 4 6.101 11.205 1.333 1.00 0.43 O ATOM 96 C5' DG A 4 6.929 10.187 0.762 1.00 0.44 C ATOM 97 C4' DG A 4 6.654 10.010 -0.729 1.00 0.46 C ATOM 98 O4' DG A 4 5.282 9.656 -0.929 1.00 0.44 O ATOM 99 C3' DG A 4 6.923 11.269 -1.561 1.00 0.50 C ATOM 100 O3' DG A 4 7.773 10.940 -2.664 1.00 0.55 O ATOM 101 C2' DG A 4 5.551 11.693 -2.074 1.00 0.49 C ATOM 102 C1' DG A 4 4.794 10.377 -2.056 1.00 0.45 C ATOM 103 N9 DG A 4 3.334 10.523 -1.904 1.00 0.42 N ATOM 104 C8 DG A 4 2.639 11.152 -0.906 1.00 0.42 C ATOM 105 N7 DG A 4 1.344 11.101 -1.048 1.00 0.41 N ATOM 106 C5 DG A 4 1.165 10.389 -2.229 1.00 0.39 C ATOM 107 C6 DG A 4 -0.035 10.021 -2.895 1.00 0.39 C ATOM 108 O6 DG A 4 -1.195 10.255 -2.562 1.00 0.40 O ATOM 109 N1 DG A 4 0.226 9.310 -4.058 1.00 0.41 N ATOM 110 C2 DG A 4 1.485 8.990 -4.524 1.00 0.43 C ATOM 111 N2 DG A 4 1.535 8.302 -5.664 1.00 0.48 N ATOM 112 N3 DG A 4 2.614 9.334 -3.898 1.00 0.44 N ATOM 113 C4 DG A 4 2.378 10.031 -2.762 1.00 0.41 C ATOM 0 H5' DG A 4 6.755 9.243 1.279 1.00 0.44 H new ATOM 0 H5'' DG A 4 7.978 10.444 0.911 1.00 0.44 H new ATOM 0 H4' DG A 4 7.337 9.229 -1.062 1.00 0.46 H new ATOM 0 H3' DG A 4 7.412 12.056 -0.987 1.00 0.50 H new ATOM 0 H2' DG A 4 5.087 12.441 -1.431 1.00 0.49 H new ATOM 0 H2'' DG A 4 5.603 12.121 -3.075 1.00 0.49 H new ATOM 0 H1' DG A 4 4.955 9.879 -3.012 1.00 0.45 H new ATOM 0 H8 DG A 4 3.121 11.646 -0.075 1.00 0.42 H new ATOM 0 H1 DG A 4 -0.574 9.000 -4.610 1.00 0.41 H new ATOM 0 H21 DG A 4 2.437 8.036 -6.060 1.00 0.48 H new ATOM 0 H22 DG A 4 0.672 8.042 -6.141 1.00 0.48 H new ATOM 125 P DA A 5 8.108 12.039 -3.794 1.00 0.58 P ATOM 126 OP1 DA A 5 9.470 11.776 -4.309 1.00 0.69 O ATOM 127 OP2 DA A 5 7.771 13.374 -3.252 1.00 0.62 O ATOM 128 O5' DA A 5 7.052 11.686 -4.957 1.00 0.49 O ATOM 129 C5' DA A 5 7.248 10.542 -5.792 1.00 0.49 C ATOM 130 C4' DA A 5 6.226 10.494 -6.925 1.00 0.43 C ATOM 131 O4' DA A 5 4.908 10.399 -6.378 1.00 0.45 O ATOM 132 C3' DA A 5 6.255 11.726 -7.835 1.00 0.35 C ATOM 133 O3' DA A 5 6.313 11.310 -9.203 1.00 0.34 O ATOM 134 C2' DA A 5 4.932 12.432 -7.567 1.00 0.36 C ATOM 135 C1' DA A 5 4.057 11.283 -7.101 1.00 0.41 C ATOM 136 N9 DA A 5 2.960 11.686 -6.203 1.00 0.44 N ATOM 137 C8 DA A 5 3.026 12.394 -5.032 1.00 0.47 C ATOM 138 N7 DA A 5 1.867 12.588 -4.465 1.00 0.52 N ATOM 139 C5 DA A 5 0.969 11.961 -5.323 1.00 0.51 C ATOM 140 C6 DA A 5 -0.426 11.807 -5.287 1.00 0.56 C ATOM 141 N6 DA A 5 -1.187 12.296 -4.309 1.00 0.62 N ATOM 142 N1 DA A 5 -0.998 11.131 -6.298 1.00 0.57 N ATOM 143 C2 DA A 5 -0.231 10.647 -7.269 1.00 0.53 C ATOM 144 N3 DA A 5 1.083 10.726 -7.413 1.00 0.48 N ATOM 145 C4 DA A 5 1.627 11.410 -6.384 1.00 0.47 C ATOM 0 H5' DA A 5 7.171 9.635 -5.192 1.00 0.49 H new ATOM 0 H5'' DA A 5 8.255 10.563 -6.209 1.00 0.49 H new ATOM 0 H4' DA A 5 6.490 9.623 -7.526 1.00 0.43 H new ATOM 0 H3' DA A 5 7.116 12.368 -7.646 1.00 0.35 H new ATOM 0 H2' DA A 5 5.029 13.207 -6.807 1.00 0.36 H new ATOM 0 H2'' DA A 5 4.535 12.911 -8.462 1.00 0.36 H new ATOM 0 H1' DA A 5 3.591 10.838 -7.980 1.00 0.41 H new ATOM 0 H8 DA A 5 3.954 12.759 -4.616 1.00 0.47 H new ATOM 0 H61 DA A 5 -2.197 12.156 -4.330 1.00 0.62 H new ATOM 0 H62 DA A 5 -0.759 12.810 -3.539 1.00 0.62 H new ATOM 0 H2 DA A 5 -0.752 10.114 -8.051 1.00 0.53 H new ATOM 157 P DA A 6 6.429 12.402 -10.382 1.00 0.29 P ATOM 158 OP1 DA A 6 6.977 11.732 -11.583 1.00 0.37 O ATOM 159 OP2 DA A 6 7.102 13.600 -9.835 1.00 0.29 O ATOM 160 O5' DA A 6 4.891 12.776 -10.672 1.00 0.35 O ATOM 161 C5' DA A 6 4.095 11.957 -11.535 1.00 0.54 C ATOM 162 C4' DA A 6 2.725 12.578 -11.793 1.00 0.57 C ATOM 163 O4' DA A 6 1.991 12.655 -10.567 1.00 0.49 O ATOM 164 C3' DA A 6 2.786 13.999 -12.370 1.00 0.58 C ATOM 165 O3' DA A 6 2.043 14.053 -13.596 1.00 0.77 O ATOM 166 C2' DA A 6 2.109 14.871 -11.317 1.00 0.45 C ATOM 167 C1' DA A 6 1.238 13.859 -10.597 1.00 0.43 C ATOM 168 N9 DA A 6 0.896 14.229 -9.213 1.00 0.29 N ATOM 169 C8 DA A 6 1.728 14.592 -8.185 1.00 0.23 C ATOM 170 N7 DA A 6 1.101 14.897 -7.082 1.00 0.25 N ATOM 171 C5 DA A 6 -0.241 14.720 -7.403 1.00 0.26 C ATOM 172 C6 DA A 6 -1.425 14.882 -6.664 1.00 0.33 C ATOM 173 N6 DA A 6 -1.442 15.279 -5.391 1.00 0.44 N ATOM 174 N1 DA A 6 -2.585 14.620 -7.292 1.00 0.36 N ATOM 175 C2 DA A 6 -2.559 14.228 -8.561 1.00 0.36 C ATOM 176 N3 DA A 6 -1.519 14.042 -9.356 1.00 0.36 N ATOM 177 C4 DA A 6 -0.373 14.312 -8.699 1.00 0.28 C ATOM 0 H5' DA A 6 3.970 10.971 -11.088 1.00 0.54 H new ATOM 0 H5'' DA A 6 4.614 11.814 -12.483 1.00 0.54 H new ATOM 0 H4' DA A 6 2.245 11.931 -12.527 1.00 0.57 H new ATOM 0 H3' DA A 6 3.805 14.321 -12.585 1.00 0.58 H new ATOM 0 H2' DA A 6 2.830 15.340 -10.648 1.00 0.45 H new ATOM 0 H2'' DA A 6 1.521 15.672 -11.765 1.00 0.45 H new ATOM 0 H1' DA A 6 0.288 13.782 -11.126 1.00 0.43 H new ATOM 0 H8 DA A 6 2.803 14.623 -8.280 1.00 0.23 H new ATOM 0 H61 DA A 6 -2.330 15.381 -4.900 1.00 0.44 H new ATOM 0 H62 DA A 6 -0.567 15.481 -4.908 1.00 0.44 H new ATOM 0 H2 DA A 6 -3.524 14.034 -9.006 1.00 0.36 H new ATOM 189 P DG A 7 0.527 13.513 -13.668 1.00 0.88 P ATOM 190 OP1 DG A 7 0.430 12.295 -12.832 1.00 0.86 O ATOM 191 OP2 DG A 7 0.120 13.464 -15.090 1.00 1.09 O ATOM 192 O5' DG A 7 -0.308 14.687 -12.946 1.00 0.81 O ATOM 193 C5' DG A 7 -0.717 15.850 -13.675 1.00 0.90 C ATOM 194 C4' DG A 7 -1.527 16.803 -12.800 1.00 0.82 C ATOM 195 O4' DG A 7 -0.764 17.163 -11.646 1.00 0.66 O ATOM 196 C3' DG A 7 -1.932 18.106 -13.502 1.00 0.94 C ATOM 197 O3' DG A 7 -3.346 18.292 -13.378 1.00 0.96 O ATOM 198 C2' DG A 7 -1.198 19.201 -12.734 1.00 0.89 C ATOM 199 C1' DG A 7 -0.987 18.543 -11.382 1.00 0.69 C ATOM 200 N9 DG A 7 0.176 19.053 -10.632 1.00 0.64 N ATOM 201 C8 DG A 7 1.444 19.307 -11.084 1.00 0.72 C ATOM 202 N7 DG A 7 2.254 19.752 -10.165 1.00 0.70 N ATOM 203 C5 DG A 7 1.467 19.795 -9.017 1.00 0.61 C ATOM 204 C6 DG A 7 1.805 20.198 -7.697 1.00 0.63 C ATOM 205 O6 DG A 7 2.886 20.604 -7.276 1.00 0.73 O ATOM 206 N1 DG A 7 0.719 20.089 -6.838 1.00 0.56 N ATOM 207 C2 DG A 7 -0.536 19.648 -7.202 1.00 0.46 C ATOM 208 N2 DG A 7 -1.454 19.612 -6.236 1.00 0.42 N ATOM 209 N3 DG A 7 -0.855 19.268 -8.443 1.00 0.45 N ATOM 210 C4 DG A 7 0.193 19.368 -9.294 1.00 0.55 C ATOM 0 H5' DG A 7 -1.314 15.550 -14.536 1.00 0.90 H new ATOM 0 H5'' DG A 7 0.162 16.367 -14.061 1.00 0.90 H new ATOM 0 H4' DG A 7 -2.438 16.261 -12.546 1.00 0.82 H new ATOM 0 H3' DG A 7 -1.686 18.108 -14.564 1.00 0.94 H new ATOM 0 H2' DG A 7 -0.255 19.472 -13.209 1.00 0.89 H new ATOM 0 H2'' DG A 7 -1.789 20.113 -12.657 1.00 0.89 H new ATOM 0 H1' DG A 7 -1.862 18.750 -10.766 1.00 0.69 H new ATOM 0 H8 DG A 7 1.745 19.152 -12.110 1.00 0.72 H new ATOM 0 H1 DG A 7 0.860 20.355 -5.864 1.00 0.56 H new ATOM 0 H21 DG A 7 -2.401 19.295 -6.444 1.00 0.42 H new ATOM 0 H22 DG A 7 -1.209 19.902 -5.289 1.00 0.42 H new ATOM 222 P DC A 8 -4.044 19.652 -13.886 1.00 1.12 P ATOM 223 OP1 DC A 8 -5.287 19.293 -14.608 1.00 1.27 O ATOM 224 OP2 DC A 8 -3.015 20.478 -14.557 1.00 1.32 O ATOM 225 O5' DC A 8 -4.455 20.378 -12.508 1.00 0.88 O ATOM 226 C5' DC A 8 -5.390 19.763 -11.617 1.00 0.68 C ATOM 227 C4' DC A 8 -5.693 20.651 -10.411 1.00 0.49 C ATOM 228 O4' DC A 8 -4.473 21.011 -9.763 1.00 0.49 O ATOM 229 C3' DC A 8 -6.422 21.956 -10.760 1.00 0.78 C ATOM 230 O3' DC A 8 -7.655 22.026 -10.021 1.00 0.68 O ATOM 231 C2' DC A 8 -5.481 23.065 -10.294 1.00 0.98 C ATOM 232 C1' DC A 8 -4.614 22.340 -9.281 1.00 0.78 C ATOM 233 N1 DC A 8 -3.263 22.907 -9.120 1.00 1.04 N ATOM 234 C2 DC A 8 -2.962 23.505 -7.906 1.00 1.41 C ATOM 235 O2 DC A 8 -3.808 23.549 -7.016 1.00 1.54 O ATOM 236 N3 DC A 8 -1.719 24.033 -7.736 1.00 1.70 N ATOM 237 C4 DC A 8 -0.809 23.976 -8.718 1.00 1.60 C ATOM 238 N4 DC A 8 0.400 24.502 -8.519 1.00 1.88 N ATOM 239 C5 DC A 8 -1.115 23.359 -9.972 1.00 1.27 C ATOM 240 C6 DC A 8 -2.348 22.840 -10.129 1.00 1.04 C ATOM 0 H5' DC A 8 -4.991 18.808 -11.274 1.00 0.68 H new ATOM 0 H5'' DC A 8 -6.315 19.549 -12.152 1.00 0.68 H new ATOM 0 H4' DC A 8 -6.349 20.059 -9.772 1.00 0.49 H new ATOM 0 H3' DC A 8 -6.660 22.032 -11.821 1.00 0.78 H new ATOM 0 H2' DC A 8 -4.893 23.473 -11.116 1.00 0.98 H new ATOM 0 H2'' DC A 8 -6.023 23.898 -9.845 1.00 0.98 H new ATOM 0 H1' DC A 8 -5.097 22.419 -8.307 1.00 0.78 H new ATOM 0 H41 DC A 8 1.101 24.464 -9.259 1.00 1.88 H new ATOM 0 H42 DC A 8 0.624 24.942 -7.626 1.00 1.88 H new ATOM 0 H5 DC A 8 -0.383 23.311 -10.765 1.00 1.27 H new ATOM 0 H6 DC A 8 -2.614 22.367 -11.062 1.00 1.04 H new ATOM 252 P DA A 9 -7.639 21.979 -8.407 1.00 0.46 P ATOM 253 OP1 DA A 9 -6.783 23.088 -7.931 1.00 0.77 O ATOM 254 OP2 DA A 9 -7.336 20.595 -7.983 1.00 0.25 O ATOM 255 O5' DA A 9 -9.167 22.320 -7.994 1.00 0.42 O ATOM 256 C5' DA A 9 -10.293 21.664 -8.600 1.00 0.32 C ATOM 257 C4' DA A 9 -10.381 20.182 -8.231 1.00 0.22 C ATOM 258 O4' DA A 9 -9.188 19.514 -8.636 1.00 0.21 O ATOM 259 C3' DA A 9 -10.567 19.910 -6.730 1.00 0.27 C ATOM 260 O3' DA A 9 -11.773 19.158 -6.533 1.00 0.37 O ATOM 261 C2' DA A 9 -9.353 19.071 -6.334 1.00 0.29 C ATOM 262 C1' DA A 9 -8.908 18.507 -7.675 1.00 0.24 C ATOM 263 N9 DA A 9 -7.468 18.175 -7.777 1.00 0.23 N ATOM 264 C8 DA A 9 -6.433 18.485 -6.925 1.00 0.26 C ATOM 265 N7 DA A 9 -5.273 18.040 -7.319 1.00 0.26 N ATOM 266 C5 DA A 9 -5.554 17.390 -8.516 1.00 0.27 C ATOM 267 C6 DA A 9 -4.744 16.703 -9.435 1.00 0.35 C ATOM 268 N6 DA A 9 -3.429 16.554 -9.280 1.00 0.37 N ATOM 269 N1 DA A 9 -5.345 16.179 -10.516 1.00 0.45 N ATOM 270 C2 DA A 9 -6.656 16.332 -10.664 1.00 0.46 C ATOM 271 N3 DA A 9 -7.520 16.953 -9.876 1.00 0.38 N ATOM 272 C4 DA A 9 -6.887 17.467 -8.801 1.00 0.27 C ATOM 0 H5' DA A 9 -10.225 21.761 -9.684 1.00 0.32 H new ATOM 0 H5'' DA A 9 -11.210 22.166 -8.292 1.00 0.32 H new ATOM 0 H4' DA A 9 -11.266 19.812 -8.748 1.00 0.22 H new ATOM 0 H3' DA A 9 -10.643 20.823 -6.139 1.00 0.27 H new ATOM 0 H2' DA A 9 -8.575 19.674 -5.867 1.00 0.29 H new ATOM 0 H2'' DA A 9 -9.614 18.284 -5.627 1.00 0.29 H new ATOM 0 H1' DA A 9 -9.438 17.566 -7.824 1.00 0.24 H new ATOM 0 H8 DA A 9 -6.569 19.046 -6.012 1.00 0.26 H new ATOM 0 H61 DA A 9 -2.888 16.045 -9.979 1.00 0.37 H new ATOM 0 H62 DA A 9 -2.964 16.949 -8.463 1.00 0.37 H new ATOM 0 H2 DA A 9 -7.077 15.887 -11.553 1.00 0.46 H new ATOM 284 P DT A 10 -11.954 18.182 -5.261 1.00 0.48 P ATOM 285 OP1 DT A 10 -13.396 18.105 -4.934 1.00 0.57 O ATOM 286 OP2 DT A 10 -10.983 18.584 -4.220 1.00 0.53 O ATOM 287 O5' DT A 10 -11.500 16.755 -5.850 1.00 0.51 O ATOM 288 C5' DT A 10 -12.111 16.233 -7.032 1.00 0.51 C ATOM 289 C4' DT A 10 -11.226 15.184 -7.697 1.00 0.53 C ATOM 290 O4' DT A 10 -9.870 15.625 -7.664 1.00 0.50 O ATOM 291 C3' DT A 10 -11.276 13.811 -7.021 1.00 0.60 C ATOM 292 O3' DT A 10 -11.746 12.840 -7.962 1.00 0.64 O ATOM 293 C2' DT A 10 -9.830 13.498 -6.636 1.00 0.60 C ATOM 294 C1' DT A 10 -9.036 14.488 -7.476 1.00 0.52 C ATOM 295 N1 DT A 10 -7.787 14.950 -6.838 1.00 0.48 N ATOM 296 C2 DT A 10 -6.610 14.773 -7.539 1.00 0.45 C ATOM 297 O2 DT A 10 -6.584 14.259 -8.656 1.00 0.48 O ATOM 298 N3 DT A 10 -5.458 15.208 -6.908 1.00 0.43 N ATOM 299 C4 DT A 10 -5.385 15.798 -5.658 1.00 0.45 C ATOM 300 O4 DT A 10 -4.304 16.149 -5.193 1.00 0.47 O ATOM 301 C5 DT A 10 -6.665 15.944 -5.003 1.00 0.49 C ATOM 302 C7 DT A 10 -6.731 16.582 -3.619 1.00 0.57 C ATOM 303 C6 DT A 10 -7.802 15.526 -5.595 1.00 0.50 C ATOM 0 H5' DT A 10 -12.305 17.045 -7.733 1.00 0.51 H new ATOM 0 H5'' DT A 10 -13.075 15.792 -6.781 1.00 0.51 H new ATOM 0 H4' DT A 10 -11.607 15.071 -8.712 1.00 0.53 H new ATOM 0 H3' DT A 10 -11.940 13.797 -6.156 1.00 0.60 H new ATOM 0 H2' DT A 10 -9.655 13.641 -5.570 1.00 0.60 H new ATOM 0 H2'' DT A 10 -9.564 12.467 -6.867 1.00 0.60 H new ATOM 0 H1' DT A 10 -8.751 13.987 -8.401 1.00 0.52 H new ATOM 0 H3 DT A 10 -4.580 15.082 -7.411 1.00 0.43 H new ATOM 0 H71 DT A 10 -7.688 17.090 -3.498 1.00 0.57 H new ATOM 0 H72 DT A 10 -6.631 15.809 -2.857 1.00 0.57 H new ATOM 0 H73 DT A 10 -5.921 17.304 -3.512 1.00 0.57 H new ATOM 0 H6 DT A 10 -8.743 15.648 -5.079 1.00 0.50 H new ATOM 316 P DT A 11 -11.632 11.266 -7.645 1.00 0.69 P ATOM 317 OP1 DT A 11 -12.711 10.566 -8.377 1.00 0.79 O ATOM 318 OP2 DT A 11 -11.504 11.097 -6.180 1.00 0.75 O ATOM 319 O5' DT A 11 -10.226 10.874 -8.322 1.00 0.60 O ATOM 320 C5' DT A 11 -10.049 10.980 -9.738 1.00 0.56 C ATOM 321 C4' DT A 11 -8.710 10.400 -10.182 1.00 0.50 C ATOM 322 O4' DT A 11 -7.646 11.091 -9.522 1.00 0.48 O ATOM 323 C3' DT A 11 -8.547 8.908 -9.868 1.00 0.46 C ATOM 324 O3' DT A 11 -8.134 8.216 -11.051 1.00 0.47 O ATOM 325 C2' DT A 11 -7.439 8.853 -8.823 1.00 0.44 C ATOM 326 C1' DT A 11 -6.676 10.133 -9.113 1.00 0.45 C ATOM 327 N1 DT A 11 -5.959 10.685 -7.950 1.00 0.45 N ATOM 328 C2 DT A 11 -4.581 10.758 -8.024 1.00 0.43 C ATOM 329 O2 DT A 11 -3.958 10.376 -9.012 1.00 0.42 O ATOM 330 N3 DT A 11 -3.941 11.286 -6.918 1.00 0.44 N ATOM 331 C4 DT A 11 -4.553 11.739 -5.762 1.00 0.47 C ATOM 332 O4 DT A 11 -3.886 12.192 -4.836 1.00 0.49 O ATOM 333 C5 DT A 11 -5.993 11.624 -5.775 1.00 0.49 C ATOM 334 C7 DT A 11 -6.793 12.088 -4.563 1.00 0.55 C ATOM 335 C6 DT A 11 -6.639 11.113 -6.842 1.00 0.48 C ATOM 0 H5' DT A 11 -10.109 12.027 -10.035 1.00 0.56 H new ATOM 0 H5'' DT A 11 -10.859 10.457 -10.247 1.00 0.56 H new ATOM 0 H4' DT A 11 -8.679 10.524 -11.264 1.00 0.50 H new ATOM 0 H3' DT A 11 -9.470 8.447 -9.517 1.00 0.46 H new ATOM 0 H2' DT A 11 -7.835 8.834 -7.808 1.00 0.44 H new ATOM 0 H2'' DT A 11 -6.812 7.968 -8.937 1.00 0.44 H new ATOM 0 H1' DT A 11 -5.919 9.911 -9.865 1.00 0.45 H new ATOM 0 H3 DT A 11 -2.924 11.347 -6.958 1.00 0.44 H new ATOM 0 H71 DT A 11 -7.775 12.435 -4.886 1.00 0.55 H new ATOM 0 H72 DT A 11 -6.912 11.258 -3.866 1.00 0.55 H new ATOM 0 H73 DT A 11 -6.265 12.903 -4.069 1.00 0.55 H new ATOM 0 H6 DT A 11 -7.716 11.040 -6.822 1.00 0.48 H new ATOM 348 P DC A 12 -7.792 6.643 -10.999 1.00 0.46 P ATOM 349 OP1 DC A 12 -7.989 6.079 -12.353 1.00 0.50 O ATOM 350 OP2 DC A 12 -8.507 6.054 -9.845 1.00 0.46 O ATOM 351 O5' DC A 12 -6.216 6.634 -10.673 1.00 0.49 O ATOM 352 C5' DC A 12 -5.265 6.992 -11.680 1.00 0.51 C ATOM 353 C4' DC A 12 -3.833 6.780 -11.198 1.00 0.51 C ATOM 354 O4' DC A 12 -3.567 7.635 -10.082 1.00 0.48 O ATOM 355 C3' DC A 12 -3.539 5.343 -10.748 1.00 0.50 C ATOM 356 O3' DC A 12 -2.345 4.875 -11.388 1.00 0.57 O ATOM 357 C2' DC A 12 -3.312 5.457 -9.245 1.00 0.45 C ATOM 358 C1' DC A 12 -2.825 6.889 -9.125 1.00 0.45 C ATOM 359 N1 DC A 12 -3.042 7.499 -7.799 1.00 0.41 N ATOM 360 C2 DC A 12 -1.927 7.972 -7.125 1.00 0.41 C ATOM 361 O2 DC A 12 -0.812 7.865 -7.628 1.00 0.44 O ATOM 362 N3 DC A 12 -2.108 8.546 -5.904 1.00 0.39 N ATOM 363 C4 DC A 12 -3.330 8.653 -5.367 1.00 0.38 C ATOM 364 N4 DC A 12 -3.471 9.221 -4.169 1.00 0.40 N ATOM 365 C5 DC A 12 -4.483 8.166 -6.060 1.00 0.39 C ATOM 366 C6 DC A 12 -4.294 7.599 -7.267 1.00 0.40 C ATOM 0 H5' DC A 12 -5.405 8.036 -11.959 1.00 0.51 H new ATOM 0 H5'' DC A 12 -5.440 6.396 -12.576 1.00 0.51 H new ATOM 0 H4' DC A 12 -3.198 7.006 -12.055 1.00 0.51 H new ATOM 0 H3' DC A 12 -4.341 4.648 -10.998 1.00 0.50 H new ATOM 0 H2' DC A 12 -4.226 5.285 -8.677 1.00 0.45 H new ATOM 0 H2'' DC A 12 -2.574 4.740 -8.885 1.00 0.45 H new ATOM 0 H1' DC A 12 -1.747 6.895 -9.285 1.00 0.45 H new ATOM 0 H41 DC A 12 -4.398 9.307 -3.751 1.00 0.40 H new ATOM 0 H42 DC A 12 -2.652 9.569 -3.670 1.00 0.40 H new ATOM 0 H5 DC A 12 -5.470 8.250 -5.630 1.00 0.39 H new ATOM 0 H6 DC A 12 -5.142 7.220 -7.819 1.00 0.40 H new ATOM 378 P DG A 13 -1.844 3.359 -11.176 1.00 0.60 P ATOM 379 OP1 DG A 13 -1.041 2.965 -12.355 1.00 0.69 O ATOM 380 OP2 DG A 13 -3.008 2.541 -10.772 1.00 0.58 O ATOM 381 O5' DG A 13 -0.854 3.486 -9.912 1.00 0.55 O ATOM 382 C5' DG A 13 0.543 3.730 -10.102 1.00 0.57 C ATOM 383 C4' DG A 13 1.300 3.719 -8.776 1.00 0.52 C ATOM 384 O4' DG A 13 0.790 4.749 -7.921 1.00 0.49 O ATOM 385 C3' DG A 13 1.183 2.396 -8.011 1.00 0.52 C ATOM 386 O3' DG A 13 2.490 1.931 -7.655 1.00 0.52 O ATOM 387 C2' DG A 13 0.398 2.749 -6.753 1.00 0.47 C ATOM 388 C1' DG A 13 0.713 4.224 -6.599 1.00 0.43 C ATOM 389 N9 DG A 13 -0.313 4.984 -5.863 1.00 0.40 N ATOM 390 C8 DG A 13 -1.640 5.140 -6.163 1.00 0.41 C ATOM 391 N7 DG A 13 -2.297 5.865 -5.303 1.00 0.39 N ATOM 392 C5 DG A 13 -1.338 6.218 -4.360 1.00 0.36 C ATOM 393 C6 DG A 13 -1.465 7.006 -3.184 1.00 0.34 C ATOM 394 O6 DG A 13 -2.471 7.553 -2.738 1.00 0.35 O ATOM 395 N1 DG A 13 -0.255 7.118 -2.514 1.00 0.34 N ATOM 396 C2 DG A 13 0.932 6.546 -2.923 1.00 0.34 C ATOM 397 N2 DG A 13 1.993 6.765 -2.145 1.00 0.35 N ATOM 398 N3 DG A 13 1.054 5.805 -4.029 1.00 0.35 N ATOM 399 C4 DG A 13 -0.118 5.684 -4.695 1.00 0.36 C ATOM 0 H5' DG A 13 0.681 4.693 -10.593 1.00 0.57 H new ATOM 0 H5'' DG A 13 0.959 2.972 -10.765 1.00 0.57 H new ATOM 0 H4' DG A 13 2.348 3.874 -9.033 1.00 0.52 H new ATOM 0 H3' DG A 13 0.701 1.613 -8.596 1.00 0.52 H new ATOM 0 H2' DG A 13 -0.670 2.569 -6.873 1.00 0.47 H new ATOM 0 H2'' DG A 13 0.724 2.168 -5.890 1.00 0.47 H new ATOM 0 H1' DG A 13 1.634 4.320 -6.024 1.00 0.43 H new ATOM 0 H8 DG A 13 -2.101 4.701 -7.035 1.00 0.41 H new ATOM 0 H1 DG A 13 -0.242 7.665 -1.653 1.00 0.34 H new ATOM 0 H21 DG A 13 2.899 6.368 -2.395 1.00 0.35 H new ATOM 0 H22 DG A 13 1.898 7.329 -1.300 1.00 0.35 H new ATOM 411 P DC A 14 2.673 0.532 -6.880 1.00 0.55 P ATOM 412 OP1 DC A 14 3.947 -0.080 -7.322 1.00 0.66 O ATOM 413 OP2 DC A 14 1.411 -0.230 -6.996 1.00 0.65 O ATOM 414 O5' DC A 14 2.843 0.995 -5.347 1.00 0.41 O ATOM 415 C5' DC A 14 4.066 1.588 -4.901 1.00 0.32 C ATOM 416 C4' DC A 14 4.047 1.854 -3.398 1.00 0.25 C ATOM 417 O4' DC A 14 2.980 2.740 -3.081 1.00 0.25 O ATOM 418 C3' DC A 14 3.848 0.597 -2.543 1.00 0.34 C ATOM 419 O3' DC A 14 5.038 0.339 -1.789 1.00 0.50 O ATOM 420 C2' DC A 14 2.700 0.941 -1.591 1.00 0.33 C ATOM 421 C1' DC A 14 2.570 2.446 -1.754 1.00 0.26 C ATOM 422 N1 DC A 14 1.199 2.960 -1.578 1.00 0.26 N ATOM 423 C2 DC A 14 0.945 3.722 -0.449 1.00 0.28 C ATOM 424 O2 DC A 14 1.846 3.952 0.353 1.00 0.32 O ATOM 425 N3 DC A 14 -0.317 4.199 -0.264 1.00 0.32 N ATOM 426 C4 DC A 14 -1.288 3.941 -1.150 1.00 0.37 C ATOM 427 N4 DC A 14 -2.513 4.422 -0.937 1.00 0.46 N ATOM 428 C5 DC A 14 -1.028 3.155 -2.317 1.00 0.38 C ATOM 429 C6 DC A 14 0.223 2.687 -2.490 1.00 0.31 C ATOM 0 H5' DC A 14 4.233 2.524 -5.434 1.00 0.32 H new ATOM 0 H5'' DC A 14 4.900 0.930 -5.144 1.00 0.32 H new ATOM 0 H4' DC A 14 5.026 2.273 -3.167 1.00 0.25 H new ATOM 0 H3' DC A 14 3.633 -0.285 -3.146 1.00 0.34 H new ATOM 0 H2' DC A 14 1.780 0.423 -1.863 1.00 0.33 H new ATOM 0 H2'' DC A 14 2.930 0.664 -0.562 1.00 0.33 H new ATOM 0 H1' DC A 14 3.176 2.920 -0.982 1.00 0.26 H new ATOM 0 H41 DC A 14 -3.259 4.231 -1.606 1.00 0.46 H new ATOM 0 H42 DC A 14 -2.704 4.981 -0.105 1.00 0.46 H new ATOM 0 H5 DC A 14 -1.808 2.944 -3.034 1.00 0.38 H new ATOM 0 H6 DC A 14 0.455 2.090 -3.359 1.00 0.31 H new ATOM 441 P DG A 15 5.070 -0.841 -0.694 1.00 0.69 P ATOM 442 OP1 DG A 15 6.461 -1.334 -0.581 1.00 0.82 O ATOM 443 OP2 DG A 15 3.977 -1.790 -1.002 1.00 0.77 O ATOM 444 O5' DG A 15 4.697 -0.071 0.670 1.00 0.75 O ATOM 445 C5' DG A 15 5.600 0.885 1.233 1.00 0.81 C ATOM 446 C4' DG A 15 5.203 1.262 2.658 1.00 0.93 C ATOM 447 O4' DG A 15 3.898 1.855 2.654 1.00 0.80 O ATOM 448 C3' DG A 15 5.149 0.073 3.617 1.00 1.14 C ATOM 449 O3' DG A 15 5.597 0.442 4.927 1.00 1.30 O ATOM 450 C2' DG A 15 3.674 -0.285 3.621 1.00 1.07 C ATOM 451 C1' DG A 15 3.050 1.094 3.518 1.00 0.87 C ATOM 452 N9 DG A 15 1.690 1.107 2.949 1.00 0.74 N ATOM 453 C8 DG A 15 1.231 0.497 1.811 1.00 0.75 C ATOM 454 N7 DG A 15 -0.033 0.707 1.572 1.00 0.75 N ATOM 455 C5 DG A 15 -0.445 1.513 2.628 1.00 0.68 C ATOM 456 C6 DG A 15 -1.725 2.064 2.908 1.00 0.68 C ATOM 457 O6 DG A 15 -2.764 1.945 2.262 1.00 0.79 O ATOM 458 N1 DG A 15 -1.712 2.818 4.073 1.00 0.62 N ATOM 459 C2 DG A 15 -0.605 3.019 4.872 1.00 0.63 C ATOM 460 N2 DG A 15 -0.788 3.774 5.956 1.00 0.65 N ATOM 461 N3 DG A 15 0.600 2.502 4.611 1.00 0.70 N ATOM 462 C4 DG A 15 0.605 1.763 3.477 1.00 0.68 C ATOM 0 H5' DG A 15 5.618 1.780 0.611 1.00 0.81 H new ATOM 0 H5'' DG A 15 6.610 0.476 1.232 1.00 0.81 H new ATOM 0 H4' DG A 15 5.974 1.949 3.005 1.00 0.93 H new ATOM 0 H3' DG A 15 5.794 -0.753 3.318 1.00 1.14 H new ATOM 0 H2' DG A 15 3.402 -0.926 2.783 1.00 1.07 H new ATOM 0 H2'' DG A 15 3.377 -0.807 4.531 1.00 1.07 H new ATOM 0 HO3' DG A 15 5.550 -0.337 5.520 1.00 1.30 H new ATOM 0 H1' DG A 15 2.960 1.497 4.527 1.00 0.87 H new ATOM 0 H8 DG A 15 1.860 -0.103 1.170 1.00 0.75 H new ATOM 0 H1 DG A 15 -2.587 3.257 4.360 1.00 0.62 H new ATOM 0 H21 DG A 15 -0.008 3.959 6.586 1.00 0.65 H new ATOM 0 H22 DG A 15 -1.708 4.166 6.155 1.00 0.65 H new TER 475 DG A 15