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=-0.00111 (180deg=-0.00111) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -7.244 3.826 11.464 1.00 0.91 O ATOM 2 C5' DC A 1 -6.482 3.095 10.501 1.00 0.85 C ATOM 3 C4' DC A 1 -5.125 3.753 10.252 1.00 0.66 C ATOM 4 O4' DC A 1 -4.394 2.995 9.284 1.00 0.65 O ATOM 5 C3' DC A 1 -5.219 5.190 9.723 1.00 0.62 C ATOM 6 O3' DC A 1 -4.470 6.060 10.581 1.00 0.53 O ATOM 7 C2' DC A 1 -4.570 5.142 8.343 1.00 0.58 C ATOM 8 C1' DC A 1 -3.691 3.911 8.453 1.00 0.55 C ATOM 9 N1 DC A 1 -3.420 3.238 7.169 1.00 0.59 N ATOM 10 C2 DC A 1 -2.112 3.237 6.712 1.00 0.58 C ATOM 11 O2 DC A 1 -1.231 3.787 7.367 1.00 0.59 O ATOM 12 N3 DC A 1 -1.842 2.616 5.531 1.00 0.63 N ATOM 13 C4 DC A 1 -2.815 2.022 4.827 1.00 0.69 C ATOM 14 N4 DC A 1 -2.516 1.422 3.674 1.00 0.75 N ATOM 15 C5 DC A 1 -4.167 2.020 5.296 1.00 0.73 C ATOM 16 C6 DC A 1 -4.424 2.638 6.465 1.00 0.67 C ATOM 0 H5' DC A 1 -7.037 3.035 9.565 1.00 0.85 H new ATOM 0 H5'' DC A 1 -6.335 2.073 10.850 1.00 0.85 H new ATOM 0 H4' DC A 1 -4.630 3.780 11.223 1.00 0.66 H new ATOM 0 H3' DC A 1 -6.245 5.557 9.683 1.00 0.62 H new ATOM 0 H2' DC A 1 -5.309 5.046 7.547 1.00 0.58 H new ATOM 0 H2'' DC A 1 -3.990 6.041 8.133 1.00 0.58 H new ATOM 0 HO5' DC A 1 -8.107 3.383 11.602 1.00 0.91 H new ATOM 0 H1' DC A 1 -2.723 4.225 8.844 1.00 0.55 H new ATOM 0 H41 DC A 1 -3.250 0.967 3.131 1.00 0.75 H new ATOM 0 H42 DC A 1 -1.554 1.418 3.336 1.00 0.75 H new ATOM 0 H5 DC A 1 -4.953 1.540 4.733 1.00 0.73 H new ATOM 0 H6 DC A 1 -5.433 2.659 6.849 1.00 0.67 H new ATOM 29 P DG A 2 -4.379 7.637 10.268 1.00 0.55 P ATOM 30 OP1 DG A 2 -4.051 8.343 11.528 1.00 0.59 O ATOM 31 OP2 DG A 2 -5.581 8.026 9.498 1.00 0.70 O ATOM 32 O5' DG A 2 -3.103 7.730 9.292 1.00 0.45 O ATOM 33 C5' DG A 2 -1.781 7.529 9.802 1.00 0.38 C ATOM 34 C4' DG A 2 -0.730 7.682 8.705 1.00 0.33 C ATOM 35 O4' DG A 2 -0.977 6.730 7.670 1.00 0.31 O ATOM 36 C3' DG A 2 -0.710 9.069 8.047 1.00 0.38 C ATOM 37 O3' DG A 2 0.593 9.643 8.197 1.00 0.40 O ATOM 38 C2' DG A 2 -0.993 8.806 6.568 1.00 0.35 C ATOM 39 C1' DG A 2 -0.634 7.337 6.431 1.00 0.30 C ATOM 40 N9 DG A 2 -1.368 6.637 5.363 1.00 0.33 N ATOM 41 C8 DG A 2 -2.714 6.412 5.257 1.00 0.43 C ATOM 42 N7 DG A 2 -3.059 5.765 4.180 1.00 0.49 N ATOM 43 C5 DG A 2 -1.854 5.544 3.521 1.00 0.41 C ATOM 44 C6 DG A 2 -1.597 4.886 2.288 1.00 0.46 C ATOM 45 O6 DG A 2 -2.401 4.358 1.524 1.00 0.57 O ATOM 46 N1 DG A 2 -0.242 4.884 1.986 1.00 0.42 N ATOM 47 C2 DG A 2 0.745 5.445 2.770 1.00 0.37 C ATOM 48 N2 DG A 2 1.992 5.343 2.313 1.00 0.44 N ATOM 49 N3 DG A 2 0.505 6.064 3.930 1.00 0.32 N ATOM 50 C4 DG A 2 -0.812 6.076 4.240 1.00 0.32 C ATOM 0 H5' DG A 2 -1.707 6.535 10.243 1.00 0.38 H new ATOM 0 H5'' DG A 2 -1.584 8.246 10.599 1.00 0.38 H new ATOM 0 H4' DG A 2 0.230 7.528 9.197 1.00 0.33 H new ATOM 0 H3' DG A 2 -1.434 9.755 8.488 1.00 0.38 H new ATOM 0 H2' DG A 2 -2.035 8.996 6.313 1.00 0.35 H new ATOM 0 H2'' DG A 2 -0.385 9.436 5.919 1.00 0.35 H new ATOM 0 H1' DG A 2 0.423 7.266 6.175 1.00 0.30 H new ATOM 0 H8 DG A 2 -3.426 6.741 5.999 1.00 0.43 H new ATOM 0 H1 DG A 2 0.046 4.433 1.118 1.00 0.42 H new ATOM 0 H21 DG A 2 2.765 5.738 2.848 1.00 0.44 H new ATOM 0 H22 DG A 2 2.174 4.870 1.428 1.00 0.44 H new ATOM 62 P DC A 3 0.972 11.024 7.461 1.00 0.45 P ATOM 63 OP1 DC A 3 1.991 11.720 8.277 1.00 0.51 O ATOM 64 OP2 DC A 3 -0.285 11.717 7.101 1.00 0.54 O ATOM 65 O5' DC A 3 1.675 10.519 6.102 1.00 0.41 O ATOM 66 C5' DC A 3 2.913 9.805 6.148 1.00 0.39 C ATOM 67 C4' DC A 3 3.424 9.473 4.748 1.00 0.42 C ATOM 68 O4' DC A 3 2.420 8.760 4.031 1.00 0.45 O ATOM 69 C3' DC A 3 3.787 10.704 3.907 1.00 0.42 C ATOM 70 O3' DC A 3 5.189 10.683 3.608 1.00 0.45 O ATOM 71 C2' DC A 3 2.982 10.554 2.614 1.00 0.40 C ATOM 72 C1' DC A 3 2.549 9.097 2.658 1.00 0.42 C ATOM 73 N1 DC A 3 1.255 8.830 2.004 1.00 0.42 N ATOM 74 C2 DC A 3 1.281 8.214 0.765 1.00 0.43 C ATOM 75 O2 DC A 3 2.356 7.914 0.249 1.00 0.47 O ATOM 76 N3 DC A 3 0.096 7.956 0.147 1.00 0.43 N ATOM 77 C4 DC A 3 -1.067 8.290 0.722 1.00 0.42 C ATOM 78 N4 DC A 3 -2.208 8.023 0.088 1.00 0.43 N ATOM 79 C5 DC A 3 -1.098 8.927 2.003 1.00 0.41 C ATOM 80 C6 DC A 3 0.080 9.178 2.605 1.00 0.41 C ATOM 0 H5' DC A 3 2.781 8.884 6.716 1.00 0.39 H new ATOM 0 H5'' DC A 3 3.658 10.401 6.676 1.00 0.39 H new ATOM 0 H4' DC A 3 4.330 8.887 4.900 1.00 0.42 H new ATOM 0 H3' DC A 3 3.567 11.639 4.423 1.00 0.42 H new ATOM 0 H2' DC A 3 2.127 11.230 2.588 1.00 0.40 H new ATOM 0 H2'' DC A 3 3.586 10.771 1.733 1.00 0.40 H new ATOM 0 H1' DC A 3 3.293 8.510 2.120 1.00 0.42 H new ATOM 0 H41 DC A 3 -3.100 8.273 0.516 1.00 0.43 H new ATOM 0 H42 DC A 3 -2.190 7.569 -0.825 1.00 0.43 H new ATOM 0 H5 DC A 3 -2.033 9.197 2.471 1.00 0.41 H new ATOM 0 H6 DC A 3 0.095 9.659 3.572 1.00 0.41 H new ATOM 92 P DG A 4 5.876 11.905 2.811 1.00 0.49 P ATOM 93 OP1 DG A 4 7.298 11.979 3.211 1.00 0.56 O ATOM 94 OP2 DG A 4 5.008 13.095 2.956 1.00 0.49 O ATOM 95 O5' DG A 4 5.808 11.417 1.278 1.00 0.47 O ATOM 96 C5' DG A 4 6.732 10.444 0.780 1.00 0.52 C ATOM 97 C4' DG A 4 6.537 10.200 -0.715 1.00 0.49 C ATOM 98 O4' DG A 4 5.192 9.772 -0.962 1.00 0.43 O ATOM 99 C3' DG A 4 6.785 11.439 -1.579 1.00 0.48 C ATOM 100 O3' DG A 4 7.568 11.077 -2.721 1.00 0.54 O ATOM 101 C2' DG A 4 5.394 11.870 -2.021 1.00 0.40 C ATOM 102 C1' DG A 4 4.660 10.542 -2.040 1.00 0.37 C ATOM 103 N9 DG A 4 3.203 10.654 -1.838 1.00 0.30 N ATOM 104 C8 DG A 4 2.527 11.264 -0.815 1.00 0.28 C ATOM 105 N7 DG A 4 1.230 11.183 -0.913 1.00 0.27 N ATOM 106 C5 DG A 4 1.028 10.469 -2.089 1.00 0.26 C ATOM 107 C6 DG A 4 -0.185 10.072 -2.715 1.00 0.28 C ATOM 108 O6 DG A 4 -1.338 10.276 -2.341 1.00 0.31 O ATOM 109 N1 DG A 4 0.053 9.368 -3.887 1.00 0.31 N ATOM 110 C2 DG A 4 1.302 9.081 -4.398 1.00 0.32 C ATOM 111 N2 DG A 4 1.330 8.396 -5.540 1.00 0.37 N ATOM 112 N3 DG A 4 2.445 9.452 -3.810 1.00 0.33 N ATOM 113 C4 DG A 4 2.231 10.140 -2.664 1.00 0.28 C ATOM 0 H5' DG A 4 6.603 9.507 1.322 1.00 0.52 H new ATOM 0 H5'' DG A 4 7.752 10.781 0.965 1.00 0.52 H new ATOM 0 H4' DG A 4 7.271 9.442 -0.989 1.00 0.49 H new ATOM 0 H3' DG A 4 7.320 12.227 -1.049 1.00 0.48 H new ATOM 0 H2' DG A 4 4.943 12.578 -1.326 1.00 0.40 H new ATOM 0 H2'' DG A 4 5.404 12.348 -3.001 1.00 0.40 H new ATOM 0 H1' DG A 4 4.803 10.094 -3.024 1.00 0.37 H new ATOM 0 H8 DG A 4 3.025 11.768 0.001 1.00 0.28 H new ATOM 0 H1 DG A 4 -0.757 9.037 -4.411 1.00 0.31 H new ATOM 0 H21 DG A 4 2.224 8.154 -5.967 1.00 0.37 H new ATOM 0 H22 DG A 4 0.458 8.114 -5.987 1.00 0.37 H new ATOM 125 P DA A 5 7.919 12.169 -3.850 1.00 0.57 P ATOM 126 OP1 DA A 5 9.321 11.961 -4.279 1.00 0.72 O ATOM 127 OP2 DA A 5 7.488 13.496 -3.360 1.00 0.59 O ATOM 128 O5' DA A 5 6.952 11.744 -5.066 1.00 0.50 O ATOM 129 C5' DA A 5 7.251 10.597 -5.867 1.00 0.54 C ATOM 130 C4' DA A 5 6.305 10.483 -7.058 1.00 0.49 C ATOM 131 O4' DA A 5 4.960 10.349 -6.587 1.00 0.44 O ATOM 132 C3' DA A 5 6.342 11.694 -7.992 1.00 0.47 C ATOM 133 O3' DA A 5 6.359 11.251 -9.354 1.00 0.50 O ATOM 134 C2' DA A 5 5.042 12.430 -7.705 1.00 0.41 C ATOM 135 C1' DA A 5 4.134 11.291 -7.271 1.00 0.39 C ATOM 136 N9 DA A 5 3.059 11.698 -6.348 1.00 0.35 N ATOM 137 C8 DA A 5 3.155 12.412 -5.183 1.00 0.37 C ATOM 138 N7 DA A 5 2.011 12.608 -4.588 1.00 0.34 N ATOM 139 C5 DA A 5 1.092 11.977 -5.420 1.00 0.32 C ATOM 140 C6 DA A 5 -0.301 11.823 -5.349 1.00 0.35 C ATOM 141 N6 DA A 5 -1.038 12.317 -4.353 1.00 0.38 N ATOM 142 N1 DA A 5 -0.898 11.141 -6.341 1.00 0.39 N ATOM 143 C2 DA A 5 -0.155 10.653 -7.327 1.00 0.39 C ATOM 144 N3 DA A 5 1.153 10.731 -7.506 1.00 0.36 N ATOM 145 C4 DA A 5 1.723 11.420 -6.495 1.00 0.33 C ATOM 0 H5' DA A 5 7.179 9.697 -5.256 1.00 0.54 H new ATOM 0 H5'' DA A 5 8.279 10.659 -6.223 1.00 0.54 H new ATOM 0 H4' DA A 5 6.638 9.611 -7.621 1.00 0.49 H new ATOM 0 H3' DA A 5 7.221 12.320 -7.838 1.00 0.47 H new ATOM 0 H2' DA A 5 5.160 13.180 -6.923 1.00 0.41 H new ATOM 0 H2'' DA A 5 4.660 12.945 -8.586 1.00 0.41 H new ATOM 0 H1' DA A 5 3.648 10.894 -8.162 1.00 0.39 H new ATOM 0 H8 DA A 5 4.093 12.779 -4.793 1.00 0.37 H new ATOM 0 H61 DA A 5 -2.048 12.177 -4.348 1.00 0.38 H new ATOM 0 H62 DA A 5 -0.591 12.835 -3.596 1.00 0.38 H new ATOM 0 H2 DA A 5 -0.696 10.116 -8.092 1.00 0.39 H new ATOM 157 P DA A 6 6.519 12.315 -10.552 1.00 0.52 P ATOM 158 OP1 DA A 6 7.042 11.603 -11.739 1.00 0.57 O ATOM 159 OP2 DA A 6 7.235 13.499 -10.028 1.00 0.55 O ATOM 160 O5' DA A 6 4.995 12.742 -10.854 1.00 0.50 O ATOM 161 C5' DA A 6 4.187 11.965 -11.742 1.00 0.51 C ATOM 162 C4' DA A 6 2.837 12.630 -11.997 1.00 0.49 C ATOM 163 O4' DA A 6 2.098 12.703 -10.776 1.00 0.48 O ATOM 164 C3' DA A 6 2.944 14.060 -12.547 1.00 0.49 C ATOM 165 O3' DA A 6 2.209 14.159 -13.775 1.00 0.50 O ATOM 166 C2' DA A 6 2.287 14.931 -11.481 1.00 0.45 C ATOM 167 C1' DA A 6 1.386 13.932 -10.781 1.00 0.45 C ATOM 168 N9 DA A 6 1.057 14.284 -9.389 1.00 0.43 N ATOM 169 C8 DA A 6 1.900 14.609 -8.358 1.00 0.46 C ATOM 170 N7 DA A 6 1.285 14.902 -7.245 1.00 0.44 N ATOM 171 C5 DA A 6 -0.062 14.761 -7.564 1.00 0.39 C ATOM 172 C6 DA A 6 -1.239 14.932 -6.817 1.00 0.38 C ATOM 173 N6 DA A 6 -1.243 15.302 -5.535 1.00 0.40 N ATOM 174 N1 DA A 6 -2.406 14.707 -7.444 1.00 0.37 N ATOM 175 C2 DA A 6 -2.394 14.341 -8.721 1.00 0.36 C ATOM 176 N3 DA A 6 -1.362 14.151 -9.525 1.00 0.37 N ATOM 177 C4 DA A 6 -0.209 14.383 -8.866 1.00 0.39 C ATOM 0 H5' DA A 6 4.031 10.973 -11.319 1.00 0.51 H new ATOM 0 H5'' DA A 6 4.711 11.829 -12.688 1.00 0.51 H new ATOM 0 H4' DA A 6 2.343 12.012 -12.747 1.00 0.49 H new ATOM 0 H3' DA A 6 3.973 14.356 -12.751 1.00 0.49 H new ATOM 0 H2' DA A 6 3.019 15.369 -10.802 1.00 0.45 H new ATOM 0 H2'' DA A 6 1.723 15.756 -11.917 1.00 0.45 H new ATOM 0 H1' DA A 6 0.435 13.897 -11.312 1.00 0.45 H new ATOM 0 H8 DA A 6 2.975 14.621 -8.458 1.00 0.46 H new ATOM 0 H61 DA A 6 -2.127 15.412 -5.039 1.00 0.40 H new ATOM 0 H62 DA A 6 -0.362 15.475 -5.051 1.00 0.40 H new ATOM 0 H2 DA A 6 -3.364 14.175 -9.165 1.00 0.36 H new ATOM 189 P DG A 7 0.668 13.698 -13.855 1.00 0.49 P ATOM 190 OP1 DG A 7 0.513 12.460 -13.058 1.00 0.52 O ATOM 191 OP2 DG A 7 0.253 13.715 -15.275 1.00 0.55 O ATOM 192 O5' DG A 7 -0.104 14.888 -13.091 1.00 0.41 O ATOM 193 C5' DG A 7 -0.517 16.063 -13.797 1.00 0.38 C ATOM 194 C4' DG A 7 -1.261 17.033 -12.882 1.00 0.34 C ATOM 195 O4' DG A 7 -0.424 17.396 -11.781 1.00 0.35 O ATOM 196 C3' DG A 7 -1.696 18.333 -13.570 1.00 0.35 C ATOM 197 O3' DG A 7 -3.096 18.538 -13.348 1.00 0.33 O ATOM 198 C2' DG A 7 -0.895 19.427 -12.869 1.00 0.38 C ATOM 199 C1' DG A 7 -0.605 18.785 -11.525 1.00 0.36 C ATOM 200 N9 DG A 7 0.614 19.284 -10.862 1.00 0.40 N ATOM 201 C8 DG A 7 1.881 19.399 -11.372 1.00 0.45 C ATOM 202 N7 DG A 7 2.752 19.874 -10.525 1.00 0.48 N ATOM 203 C5 DG A 7 2.009 20.090 -9.368 1.00 0.52 C ATOM 204 C6 DG A 7 2.419 20.599 -8.106 1.00 0.68 C ATOM 205 O6 DG A 7 3.539 20.965 -7.759 1.00 0.70 O ATOM 206 N1 DG A 7 1.358 20.656 -7.212 1.00 0.87 N ATOM 207 C2 DG A 7 0.064 20.272 -7.494 1.00 0.88 C ATOM 208 N2 DG A 7 -0.820 20.401 -6.504 1.00 1.12 N ATOM 209 N3 DG A 7 -0.323 19.794 -8.681 1.00 0.69 N ATOM 210 C4 DG A 7 0.699 19.731 -9.566 1.00 0.52 C ATOM 0 H5' DG A 7 -1.161 15.781 -14.630 1.00 0.38 H new ATOM 0 H5'' DG A 7 0.356 16.559 -14.222 1.00 0.38 H new ATOM 0 H4' DG A 7 -2.159 16.502 -12.566 1.00 0.34 H new ATOM 0 H3' DG A 7 -1.525 18.321 -14.646 1.00 0.35 H new ATOM 0 H2' DG A 7 0.019 19.675 -13.409 1.00 0.38 H new ATOM 0 H2'' DG A 7 -1.466 20.350 -12.767 1.00 0.38 H new ATOM 0 H1' DG A 7 -1.434 19.017 -10.856 1.00 0.36 H new ATOM 0 H8 DG A 7 2.135 19.121 -12.384 1.00 0.45 H new ATOM 0 H1 DG A 7 1.551 21.009 -6.275 1.00 0.87 H new ATOM 0 H21 DG A 7 -1.793 20.134 -6.651 1.00 1.12 H new ATOM 0 H22 DG A 7 -0.523 20.767 -5.599 1.00 1.12 H new ATOM 222 P DC A 8 -3.802 19.923 -13.771 1.00 0.29 P ATOM 223 OP1 DC A 8 -5.064 19.603 -14.475 1.00 0.35 O ATOM 224 OP2 DC A 8 -2.788 20.778 -14.428 1.00 0.38 O ATOM 225 O5' DC A 8 -4.170 20.580 -12.347 1.00 0.28 O ATOM 226 C5' DC A 8 -5.006 19.880 -11.422 1.00 0.25 C ATOM 227 C4' DC A 8 -5.312 20.722 -10.187 1.00 0.26 C ATOM 228 O4' DC A 8 -4.090 21.175 -9.602 1.00 0.31 O ATOM 229 C3' DC A 8 -6.166 21.964 -10.471 1.00 0.30 C ATOM 230 O3' DC A 8 -7.343 21.927 -9.653 1.00 0.36 O ATOM 231 C2' DC A 8 -5.289 23.145 -10.059 1.00 0.39 C ATOM 232 C1' DC A 8 -4.308 22.489 -9.103 1.00 0.40 C ATOM 233 N1 DC A 8 -2.998 23.162 -9.016 1.00 0.50 N ATOM 234 C2 DC A 8 -2.697 23.823 -7.837 1.00 0.63 C ATOM 235 O2 DC A 8 -3.508 23.835 -6.914 1.00 0.72 O ATOM 236 N3 DC A 8 -1.492 24.448 -7.737 1.00 0.73 N ATOM 237 C4 DC A 8 -0.618 24.424 -8.753 1.00 0.72 C ATOM 238 N4 DC A 8 0.554 25.046 -8.623 1.00 0.85 N ATOM 239 C5 DC A 8 -0.926 23.743 -9.973 1.00 0.66 C ATOM 240 C6 DC A 8 -2.121 23.127 -10.062 1.00 0.55 C ATOM 0 H5' DC A 8 -4.517 18.954 -11.119 1.00 0.25 H new ATOM 0 H5'' DC A 8 -5.939 19.602 -11.913 1.00 0.25 H new ATOM 0 H4' DC A 8 -5.879 20.069 -9.523 1.00 0.26 H new ATOM 0 H3' DC A 8 -6.481 22.027 -11.513 1.00 0.30 H new ATOM 0 H2' DC A 8 -4.786 23.598 -10.913 1.00 0.39 H new ATOM 0 H2'' DC A 8 -5.866 23.933 -9.575 1.00 0.39 H new ATOM 0 H1' DC A 8 -4.737 22.528 -8.102 1.00 0.40 H new ATOM 0 H41 DC A 8 1.226 25.034 -9.390 1.00 0.85 H new ATOM 0 H42 DC A 8 0.779 25.534 -7.756 1.00 0.85 H new ATOM 0 H5 DC A 8 -0.225 23.723 -10.794 1.00 0.66 H new ATOM 0 H6 DC A 8 -2.387 22.602 -10.967 1.00 0.55 H new ATOM 252 P DA A 9 -8.381 23.161 -9.653 1.00 0.45 P ATOM 253 OP1 DA A 9 -8.501 23.663 -11.040 1.00 0.53 O ATOM 254 OP2 DA A 9 -7.998 24.087 -8.564 1.00 0.49 O ATOM 255 O5' DA A 9 -9.774 22.458 -9.249 1.00 0.46 O ATOM 256 C5' DA A 9 -10.026 22.055 -7.898 1.00 0.44 C ATOM 257 C4' DA A 9 -10.134 20.537 -7.777 1.00 0.39 C ATOM 258 O4' DA A 9 -8.918 19.940 -8.218 1.00 0.35 O ATOM 259 C3' DA A 9 -10.393 20.030 -6.350 1.00 0.37 C ATOM 260 O3' DA A 9 -11.629 19.303 -6.324 1.00 0.42 O ATOM 261 C2' DA A 9 -9.225 19.087 -6.051 1.00 0.32 C ATOM 262 C1' DA A 9 -8.711 18.768 -7.448 1.00 0.30 C ATOM 263 N9 DA A 9 -7.275 18.427 -7.536 1.00 0.27 N ATOM 264 C8 DA A 9 -6.238 18.765 -6.698 1.00 0.30 C ATOM 265 N7 DA A 9 -5.078 18.310 -7.086 1.00 0.32 N ATOM 266 C5 DA A 9 -5.365 17.625 -8.262 1.00 0.28 C ATOM 267 C6 DA A 9 -4.561 16.912 -9.167 1.00 0.32 C ATOM 268 N6 DA A 9 -3.244 16.769 -9.018 1.00 0.39 N ATOM 269 N1 DA A 9 -5.171 16.358 -10.229 1.00 0.34 N ATOM 270 C2 DA A 9 -6.482 16.507 -10.371 1.00 0.33 C ATOM 271 N3 DA A 9 -7.340 17.148 -9.595 1.00 0.30 N ATOM 272 C4 DA A 9 -6.699 17.691 -8.541 1.00 0.27 C ATOM 0 H5' DA A 9 -10.949 22.516 -7.546 1.00 0.44 H new ATOM 0 H5'' DA A 9 -9.224 22.416 -7.254 1.00 0.44 H new ATOM 0 H4' DA A 9 -10.991 20.259 -8.390 1.00 0.39 H new ATOM 0 H3' DA A 9 -10.464 20.838 -5.621 1.00 0.37 H new ATOM 0 H2' DA A 9 -8.463 19.564 -5.435 1.00 0.32 H new ATOM 0 H2'' DA A 9 -9.549 18.191 -5.521 1.00 0.32 H new ATOM 0 H1' DA A 9 -9.246 17.884 -7.794 1.00 0.30 H new ATOM 0 H8 DA A 9 -6.371 19.353 -5.802 1.00 0.30 H new ATOM 0 H61 DA A 9 -2.707 16.240 -9.706 1.00 0.39 H new ATOM 0 H62 DA A 9 -2.773 17.188 -8.216 1.00 0.39 H new ATOM 0 H2 DA A 9 -6.909 16.038 -11.245 1.00 0.33 H new ATOM 284 P DT A 10 -11.930 18.209 -5.176 1.00 0.44 P ATOM 285 OP1 DT A 10 -13.397 18.095 -5.015 1.00 0.54 O ATOM 286 OP2 DT A 10 -11.082 18.520 -4.003 1.00 0.42 O ATOM 287 O5' DT A 10 -11.391 16.847 -5.839 1.00 0.44 O ATOM 288 C5' DT A 10 -11.936 16.376 -7.075 1.00 0.46 C ATOM 289 C4' DT A 10 -11.041 15.315 -7.708 1.00 0.45 C ATOM 290 O4' DT A 10 -9.688 15.757 -7.666 1.00 0.36 O ATOM 291 C3' DT A 10 -11.092 13.956 -7.005 1.00 0.51 C ATOM 292 O3' DT A 10 -11.680 12.992 -7.885 1.00 0.58 O ATOM 293 C2' DT A 10 -9.633 13.585 -6.732 1.00 0.43 C ATOM 294 C1' DT A 10 -8.854 14.614 -7.542 1.00 0.33 C ATOM 295 N1 DT A 10 -7.595 15.047 -6.904 1.00 0.26 N ATOM 296 C2 DT A 10 -6.422 14.841 -7.602 1.00 0.27 C ATOM 297 O2 DT A 10 -6.405 14.327 -8.718 1.00 0.33 O ATOM 298 N3 DT A 10 -5.262 15.251 -6.969 1.00 0.30 N ATOM 299 C4 DT A 10 -5.178 15.841 -5.721 1.00 0.32 C ATOM 300 O4 DT A 10 -4.089 16.167 -5.253 1.00 0.41 O ATOM 301 C5 DT A 10 -6.456 16.018 -5.068 1.00 0.31 C ATOM 302 C7 DT A 10 -6.510 16.658 -3.685 1.00 0.42 C ATOM 303 C6 DT A 10 -7.600 15.626 -5.664 1.00 0.28 C ATOM 0 H5' DT A 10 -12.055 17.212 -7.764 1.00 0.46 H new ATOM 0 H5'' DT A 10 -12.929 15.961 -6.902 1.00 0.46 H new ATOM 0 H4' DT A 10 -11.412 15.182 -8.724 1.00 0.45 H new ATOM 0 H3' DT A 10 -11.682 13.985 -6.089 1.00 0.51 H new ATOM 0 H2' DT A 10 -9.394 13.644 -5.670 1.00 0.43 H new ATOM 0 H2'' DT A 10 -9.410 12.567 -7.053 1.00 0.43 H new ATOM 0 H1' DT A 10 -8.587 14.155 -8.494 1.00 0.33 H new ATOM 0 H3 DT A 10 -4.386 15.104 -7.470 1.00 0.30 H new ATOM 0 H71 DT A 10 -7.455 17.188 -3.566 1.00 0.42 H new ATOM 0 H72 DT A 10 -6.430 15.883 -2.922 1.00 0.42 H new ATOM 0 H73 DT A 10 -5.684 17.360 -3.577 1.00 0.42 H new ATOM 0 H6 DT A 10 -8.540 15.772 -5.152 1.00 0.28 H new ATOM 316 P DT A 11 -11.646 11.424 -7.521 1.00 0.65 P ATOM 317 OP1 DT A 11 -12.757 10.758 -8.236 1.00 0.79 O ATOM 318 OP2 DT A 11 -11.531 11.293 -6.051 1.00 0.67 O ATOM 319 O5' DT A 11 -10.260 10.940 -8.180 1.00 0.56 O ATOM 320 C5' DT A 11 -10.086 10.960 -9.599 1.00 0.57 C ATOM 321 C4' DT A 11 -8.773 10.303 -10.013 1.00 0.51 C ATOM 322 O4' DT A 11 -7.678 10.995 -9.407 1.00 0.43 O ATOM 323 C3' DT A 11 -8.661 8.829 -9.607 1.00 0.51 C ATOM 324 O3' DT A 11 -8.315 8.045 -10.753 1.00 0.53 O ATOM 325 C2' DT A 11 -7.523 8.794 -8.593 1.00 0.45 C ATOM 326 C1' DT A 11 -6.726 10.029 -8.977 1.00 0.41 C ATOM 327 N1 DT A 11 -5.950 10.617 -7.870 1.00 0.35 N ATOM 328 C2 DT A 11 -4.579 10.685 -8.018 1.00 0.37 C ATOM 329 O2 DT A 11 -4.008 10.272 -9.026 1.00 0.44 O ATOM 330 N3 DT A 11 -3.881 11.245 -6.963 1.00 0.36 N ATOM 331 C4 DT A 11 -4.432 11.734 -5.791 1.00 0.33 C ATOM 332 O4 DT A 11 -3.717 12.214 -4.915 1.00 0.37 O ATOM 333 C5 DT A 11 -5.871 11.621 -5.726 1.00 0.32 C ATOM 334 C7 DT A 11 -6.606 12.122 -4.487 1.00 0.36 C ATOM 335 C6 DT A 11 -6.573 11.079 -6.742 1.00 0.34 C ATOM 0 H5' DT A 11 -10.106 11.990 -9.954 1.00 0.57 H new ATOM 0 H5'' DT A 11 -10.919 10.443 -10.076 1.00 0.57 H new ATOM 0 H4' DT A 11 -8.748 10.356 -11.101 1.00 0.51 H new ATOM 0 H3' DT A 11 -9.591 8.432 -9.200 1.00 0.51 H new ATOM 0 H2' DT A 11 -7.888 8.846 -7.567 1.00 0.45 H new ATOM 0 H2'' DT A 11 -6.930 7.883 -8.675 1.00 0.45 H new ATOM 0 H1' DT A 11 -6.001 9.741 -9.739 1.00 0.41 H new ATOM 0 H3 DT A 11 -2.867 11.303 -7.057 1.00 0.36 H new ATOM 0 H71 DT A 11 -7.603 12.461 -4.768 1.00 0.36 H new ATOM 0 H72 DT A 11 -6.689 11.313 -3.761 1.00 0.36 H new ATOM 0 H73 DT A 11 -6.052 12.950 -4.045 1.00 0.36 H new ATOM 0 H6 DT A 11 -7.648 11.008 -6.664 1.00 0.34 H new ATOM 348 P DC A 12 -7.985 6.476 -10.601 1.00 0.53 P ATOM 349 OP1 DC A 12 -8.259 5.814 -11.895 1.00 0.60 O ATOM 350 OP2 DC A 12 -8.641 5.983 -9.368 1.00 0.56 O ATOM 351 O5' DC A 12 -6.393 6.472 -10.359 1.00 0.46 O ATOM 352 C5' DC A 12 -5.499 6.830 -11.417 1.00 0.44 C ATOM 353 C4' DC A 12 -4.041 6.696 -10.987 1.00 0.39 C ATOM 354 O4' DC A 12 -3.788 7.557 -9.872 1.00 0.34 O ATOM 355 C3' DC A 12 -3.646 5.277 -10.562 1.00 0.40 C ATOM 356 O3' DC A 12 -2.447 4.891 -11.248 1.00 0.44 O ATOM 357 C2' DC A 12 -3.377 5.392 -9.066 1.00 0.37 C ATOM 358 C1' DC A 12 -2.972 6.848 -8.946 1.00 0.30 C ATOM 359 N1 DC A 12 -3.180 7.435 -7.609 1.00 0.28 N ATOM 360 C2 DC A 12 -2.068 7.939 -6.954 1.00 0.25 C ATOM 361 O2 DC A 12 -0.960 7.875 -7.484 1.00 0.27 O ATOM 362 N3 DC A 12 -2.239 8.494 -5.723 1.00 0.28 N ATOM 363 C4 DC A 12 -3.452 8.554 -5.159 1.00 0.31 C ATOM 364 N4 DC A 12 -3.586 9.105 -3.953 1.00 0.34 N ATOM 365 C5 DC A 12 -4.603 8.034 -5.831 1.00 0.35 C ATOM 366 C6 DC A 12 -4.423 7.486 -7.048 1.00 0.34 C ATOM 0 H5' DC A 12 -5.695 7.856 -11.728 1.00 0.44 H new ATOM 0 H5'' DC A 12 -5.684 6.193 -12.282 1.00 0.44 H new ATOM 0 H4' DC A 12 -3.451 6.963 -11.864 1.00 0.39 H new ATOM 0 H3' DC A 12 -4.411 4.535 -10.791 1.00 0.40 H new ATOM 0 H2' DC A 12 -4.261 5.161 -8.471 1.00 0.37 H new ATOM 0 H2'' DC A 12 -2.586 4.717 -8.738 1.00 0.37 H new ATOM 0 H1' DC A 12 -1.901 6.918 -9.139 1.00 0.30 H new ATOM 0 H41 DC A 12 -4.506 9.156 -3.515 1.00 0.34 H new ATOM 0 H42 DC A 12 -2.769 9.476 -3.468 1.00 0.34 H new ATOM 0 H5 DC A 12 -5.582 8.079 -5.378 1.00 0.35 H new ATOM 0 H6 DC A 12 -5.270 7.084 -7.584 1.00 0.34 H new ATOM 378 P DG A 13 -1.849 3.404 -11.086 1.00 0.49 P ATOM 379 OP1 DG A 13 -1.181 3.030 -12.352 1.00 0.58 O ATOM 380 OP2 DG A 13 -2.911 2.537 -10.530 1.00 0.55 O ATOM 381 O5' DG A 13 -0.716 3.598 -9.957 1.00 0.43 O ATOM 382 C5' DG A 13 0.593 4.057 -10.311 1.00 0.41 C ATOM 383 C4' DG A 13 1.493 4.188 -9.085 1.00 0.37 C ATOM 384 O4' DG A 13 0.878 5.055 -8.124 1.00 0.35 O ATOM 385 C3' DG A 13 1.772 2.856 -8.379 1.00 0.37 C ATOM 386 O3' DG A 13 3.179 2.725 -8.149 1.00 0.42 O ATOM 387 C2' DG A 13 1.038 2.972 -7.049 1.00 0.36 C ATOM 388 C1' DG A 13 1.036 4.473 -6.833 1.00 0.35 C ATOM 389 N9 DG A 13 -0.063 4.956 -5.975 1.00 0.34 N ATOM 390 C8 DG A 13 -1.413 4.838 -6.168 1.00 0.39 C ATOM 391 N7 DG A 13 -2.133 5.369 -5.220 1.00 0.40 N ATOM 392 C5 DG A 13 -1.192 5.876 -4.331 1.00 0.36 C ATOM 393 C6 DG A 13 -1.382 6.567 -3.104 1.00 0.39 C ATOM 394 O6 DG A 13 -2.439 6.869 -2.554 1.00 0.43 O ATOM 395 N1 DG A 13 -0.171 6.905 -2.517 1.00 0.39 N ATOM 396 C2 DG A 13 1.072 6.616 -3.044 1.00 0.37 C ATOM 397 N2 DG A 13 2.124 7.019 -2.333 1.00 0.42 N ATOM 398 N3 DG A 13 1.252 5.966 -4.199 1.00 0.34 N ATOM 399 C4 DG A 13 0.079 5.629 -4.784 1.00 0.33 C ATOM 0 H5' DG A 13 0.518 5.022 -10.813 1.00 0.41 H new ATOM 0 H5'' DG A 13 1.043 3.363 -11.021 1.00 0.41 H new ATOM 0 H4' DG A 13 2.439 4.583 -9.456 1.00 0.37 H new ATOM 0 H3' DG A 13 1.449 1.992 -8.959 1.00 0.37 H new ATOM 0 H2' DG A 13 0.029 2.564 -7.101 1.00 0.36 H new ATOM 0 H2'' DG A 13 1.555 2.443 -6.248 1.00 0.36 H new ATOM 0 H1' DG A 13 1.961 4.748 -6.327 1.00 0.35 H new ATOM 0 H8 DG A 13 -1.843 4.348 -7.029 1.00 0.39 H new ATOM 0 H1 DG A 13 -0.201 7.405 -1.629 1.00 0.39 H new ATOM 0 H21 DG A 13 3.069 6.835 -2.671 1.00 0.42 H new ATOM 0 H22 DG A 13 1.985 7.512 -1.451 1.00 0.42 H new ATOM 411 P DC A 14 3.768 1.442 -7.375 1.00 0.45 P ATOM 412 OP1 DC A 14 5.062 1.080 -7.997 1.00 0.53 O ATOM 413 OP2 DC A 14 2.693 0.432 -7.271 1.00 0.52 O ATOM 414 O5' DC A 14 4.061 2.020 -5.902 1.00 0.43 O ATOM 415 C5' DC A 14 5.088 2.995 -5.697 1.00 0.42 C ATOM 416 C4' DC A 14 5.234 3.356 -4.222 1.00 0.42 C ATOM 417 O4' DC A 14 3.981 3.820 -3.719 1.00 0.41 O ATOM 418 C3' DC A 14 5.673 2.187 -3.332 1.00 0.45 C ATOM 419 O3' DC A 14 6.891 2.531 -2.663 1.00 0.52 O ATOM 420 C2' DC A 14 4.551 2.027 -2.309 1.00 0.38 C ATOM 421 C1' DC A 14 3.868 3.381 -2.372 1.00 0.35 C ATOM 422 N1 DC A 14 2.435 3.356 -2.021 1.00 0.36 N ATOM 423 C2 DC A 14 2.060 3.969 -0.838 1.00 0.38 C ATOM 424 O2 DC A 14 2.908 4.507 -0.130 1.00 0.40 O ATOM 425 N3 DC A 14 0.743 3.957 -0.493 1.00 0.42 N ATOM 426 C4 DC A 14 -0.168 3.367 -1.279 1.00 0.46 C ATOM 427 N4 DC A 14 -1.450 3.371 -0.912 1.00 0.54 N ATOM 428 C5 DC A 14 0.216 2.733 -2.503 1.00 0.47 C ATOM 429 C6 DC A 14 1.521 2.751 -2.834 1.00 0.41 C ATOM 0 H5' DC A 14 4.858 3.893 -6.271 1.00 0.42 H new ATOM 0 H5'' DC A 14 6.036 2.610 -6.074 1.00 0.42 H new ATOM 0 H4' DC A 14 6.012 4.119 -4.183 1.00 0.42 H new ATOM 0 H3' DC A 14 5.847 1.273 -3.899 1.00 0.45 H new ATOM 0 H2' DC A 14 3.872 1.216 -2.572 1.00 0.38 H new ATOM 0 H2'' DC A 14 4.936 1.811 -1.312 1.00 0.38 H new ATOM 0 H1' DC A 14 4.349 4.034 -1.644 1.00 0.35 H new ATOM 0 H41 DC A 14 -2.151 2.925 -1.503 1.00 0.54 H new ATOM 0 H42 DC A 14 -1.729 3.820 -0.040 1.00 0.54 H new ATOM 0 H5 DC A 14 -0.515 2.257 -3.139 1.00 0.47 H new ATOM 0 H6 DC A 14 1.847 2.283 -3.751 1.00 0.41 H new ATOM 441 P DG A 15 7.500 1.569 -1.523 1.00 0.57 P ATOM 442 OP1 DG A 15 8.975 1.608 -1.621 1.00 0.69 O ATOM 443 OP2 DG A 15 6.791 0.271 -1.588 1.00 0.61 O ATOM 444 O5' DG A 15 7.064 2.312 -0.162 1.00 0.53 O ATOM 445 C5' DG A 15 7.619 3.586 0.176 1.00 0.58 C ATOM 446 C4' DG A 15 7.405 3.922 1.650 1.00 0.60 C ATOM 447 O4' DG A 15 6.000 3.944 1.938 1.00 0.51 O ATOM 448 C3' DG A 15 8.034 2.916 2.609 1.00 0.71 C ATOM 449 O3' DG A 15 8.476 3.551 3.814 1.00 0.82 O ATOM 450 C2' DG A 15 6.887 1.961 2.878 1.00 0.67 C ATOM 451 C1' DG A 15 5.713 2.925 2.902 1.00 0.52 C ATOM 452 N9 DG A 15 4.422 2.313 2.542 1.00 0.48 N ATOM 453 C8 DG A 15 4.128 1.490 1.487 1.00 0.55 C ATOM 454 N7 DG A 15 2.880 1.115 1.440 1.00 0.60 N ATOM 455 C5 DG A 15 2.303 1.733 2.545 1.00 0.54 C ATOM 456 C6 DG A 15 0.961 1.693 3.012 1.00 0.60 C ATOM 457 O6 DG A 15 0.003 1.091 2.529 1.00 0.73 O ATOM 458 N1 DG A 15 0.799 2.454 4.161 1.00 0.54 N ATOM 459 C2 DG A 15 1.801 3.167 4.785 1.00 0.47 C ATOM 460 N2 DG A 15 1.452 3.840 5.882 1.00 0.50 N ATOM 461 N3 DG A 15 3.063 3.207 4.348 1.00 0.43 N ATOM 462 C4 DG A 15 3.239 2.469 3.226 1.00 0.46 C ATOM 0 H5' DG A 15 7.162 4.358 -0.443 1.00 0.58 H new ATOM 0 H5'' DG A 15 8.686 3.589 -0.047 1.00 0.58 H new ATOM 0 H4' DG A 15 7.883 4.890 1.802 1.00 0.60 H new ATOM 0 H3' DG A 15 8.921 2.428 2.206 1.00 0.71 H new ATOM 0 H2' DG A 15 6.786 1.206 2.098 1.00 0.67 H new ATOM 0 H2'' DG A 15 7.005 1.430 3.822 1.00 0.67 H new ATOM 0 HO3' DG A 15 8.873 2.882 4.410 1.00 0.82 H new ATOM 0 H1' DG A 15 5.607 3.295 3.922 1.00 0.52 H new ATOM 0 H8 DG A 15 4.864 1.180 0.760 1.00 0.55 H new ATOM 0 H1 DG A 15 -0.132 2.489 4.576 1.00 0.54 H new ATOM 0 H21 DG A 15 2.149 4.386 6.388 1.00 0.50 H new ATOM 0 H22 DG A 15 0.488 3.808 6.215 1.00 0.50 H new TER 475 DG A 15