USER MOD reduce.3.24.130724 H: found=0, std=0, add=180, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 180 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 DT C7 :methyl -30:sc= -2.6! (180deg=-5.38!) USER MOD Set 1.2: B 8 DT C7 :methyl 150:sc= -0.688 (180deg=-0.547) USER MOD Set 2.1: A 8 DT C7 :methyl -30:sc= -3.22! (180deg=-4.65!) USER MOD Set 2.2: B 4 DT C7 :methyl 150:sc= -0.562 (180deg=-0.425) USER MOD ----------------------------------------------------------------- ATOM 1 P DC A 1 5.768 3.278 -9.970 1.00 0.00 P ATOM 2 OP1 DC A 1 6.194 4.688 -9.838 1.00 0.00 O ATOM 3 OP2 DC A 1 5.099 2.820 -11.208 1.00 0.00 O ATOM 4 O5' DC A 1 7.048 2.337 -9.693 1.00 0.00 O ATOM 5 C5' DC A 1 7.101 0.981 -10.089 1.00 0.00 C ATOM 6 C4' DC A 1 8.479 0.402 -9.740 1.00 0.00 C ATOM 7 O4' DC A 1 9.479 1.307 -10.181 1.00 0.00 O ATOM 8 C3' DC A 1 8.682 0.162 -8.238 1.00 0.00 C ATOM 9 O3' DC A 1 9.315 -1.084 -8.011 1.00 0.00 O ATOM 10 C2' DC A 1 9.671 1.229 -7.805 1.00 0.00 C ATOM 11 C1' DC A 1 10.355 1.621 -9.116 1.00 0.00 C ATOM 12 N1 DC A 1 10.671 3.074 -9.163 1.00 0.00 N ATOM 13 C2 DC A 1 11.942 3.484 -9.572 1.00 0.00 C ATOM 14 O2 DC A 1 12.821 2.669 -9.841 1.00 0.00 O ATOM 15 N3 DC A 1 12.196 4.820 -9.669 1.00 0.00 N ATOM 16 C4 DC A 1 11.248 5.724 -9.393 1.00 0.00 C ATOM 17 N4 DC A 1 11.554 7.018 -9.508 1.00 0.00 N ATOM 18 C5 DC A 1 9.931 5.330 -8.987 1.00 0.00 C ATOM 19 C6 DC A 1 9.694 4.001 -8.892 1.00 0.00 C ATOM 0 H5' DC A 1 6.919 0.896 -11.160 1.00 0.00 H new ATOM 0 H5'' DC A 1 6.318 0.413 -9.587 1.00 0.00 H new ATOM 0 H4' DC A 1 8.547 -0.566 -10.237 1.00 0.00 H new ATOM 0 H3' DC A 1 7.728 0.182 -7.711 1.00 0.00 H new ATOM 0 H2' DC A 1 9.170 2.079 -7.342 1.00 0.00 H new ATOM 0 H2'' DC A 1 10.385 0.845 -7.077 1.00 0.00 H new ATOM 0 H1' DC A 1 11.294 1.073 -9.196 1.00 0.00 H new ATOM 0 H41 DC A 1 10.851 7.728 -9.304 1.00 0.00 H new ATOM 0 H42 DC A 1 12.491 7.296 -9.800 1.00 0.00 H new ATOM 0 H5 DC A 1 9.165 6.059 -8.767 1.00 0.00 H new ATOM 0 H6 DC A 1 8.713 3.661 -8.596 1.00 0.00 H new ATOM 31 P DC A 2 8.490 -2.438 -7.723 1.00 0.00 P ATOM 32 OP1 DC A 2 9.447 -3.565 -7.746 1.00 0.00 O ATOM 33 OP2 DC A 2 7.306 -2.459 -8.611 1.00 0.00 O ATOM 34 O5' DC A 2 7.979 -2.247 -6.205 1.00 0.00 O ATOM 35 C5' DC A 2 8.782 -1.629 -5.220 1.00 0.00 C ATOM 36 C4' DC A 2 8.128 -1.568 -3.831 1.00 0.00 C ATOM 37 O4' DC A 2 7.009 -0.724 -3.685 1.00 0.00 O ATOM 38 C3' DC A 2 7.857 -2.899 -3.130 1.00 0.00 C ATOM 39 O3' DC A 2 8.490 -2.843 -1.860 1.00 0.00 O ATOM 40 C2' DC A 2 6.340 -2.904 -3.053 1.00 0.00 C ATOM 41 C1' DC A 2 5.969 -1.424 -3.027 1.00 0.00 C ATOM 42 N1 DC A 2 4.780 -1.209 -3.856 1.00 0.00 N ATOM 43 C2 DC A 2 3.640 -0.672 -3.294 1.00 0.00 C ATOM 44 O2 DC A 2 3.554 -0.544 -2.080 1.00 0.00 O ATOM 45 N3 DC A 2 2.630 -0.285 -4.117 1.00 0.00 N ATOM 46 C4 DC A 2 2.726 -0.467 -5.440 1.00 0.00 C ATOM 47 N4 DC A 2 1.760 0.042 -6.202 1.00 0.00 N ATOM 48 C5 DC A 2 3.900 -1.046 -6.039 1.00 0.00 C ATOM 49 C6 DC A 2 4.903 -1.377 -5.197 1.00 0.00 C ATOM 0 H5' DC A 2 9.021 -0.616 -5.543 1.00 0.00 H new ATOM 0 H5'' DC A 2 9.725 -2.169 -5.143 1.00 0.00 H new ATOM 0 H4' DC A 2 8.960 -1.093 -3.310 1.00 0.00 H new ATOM 0 H3' DC A 2 8.231 -3.801 -3.614 1.00 0.00 H new ATOM 0 H2' DC A 2 5.898 -3.412 -3.910 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.987 -3.420 -2.160 1.00 0.00 H new ATOM 0 H1' DC A 2 5.806 -1.101 -1.999 1.00 0.00 H new ATOM 0 H41 DC A 2 1.795 -0.074 -7.215 1.00 0.00 H new ATOM 0 H42 DC A 2 0.985 0.548 -5.773 1.00 0.00 H new ATOM 0 H5 DC A 2 3.975 -1.207 -7.104 1.00 0.00 H new ATOM 0 H6 DC A 2 5.820 -1.783 -5.598 1.00 0.00 H new ATOM 61 P DG A 3 8.459 -4.058 -0.801 1.00 0.00 P ATOM 62 OP1 DG A 3 9.577 -3.871 0.149 1.00 0.00 O ATOM 63 OP2 DG A 3 8.339 -5.328 -1.552 1.00 0.00 O ATOM 64 O5' DG A 3 7.078 -3.810 -0.012 1.00 0.00 O ATOM 65 C5' DG A 3 6.875 -2.685 0.828 1.00 0.00 C ATOM 66 C4' DG A 3 5.401 -2.645 1.248 1.00 0.00 C ATOM 67 O4' DG A 3 4.671 -2.521 0.054 1.00 0.00 O ATOM 68 C3' DG A 3 4.942 -3.950 1.903 1.00 0.00 C ATOM 69 O3' DG A 3 4.746 -3.805 3.293 1.00 0.00 O ATOM 70 C2' DG A 3 3.561 -4.133 1.296 1.00 0.00 C ATOM 71 C1' DG A 3 3.378 -2.977 0.325 1.00 0.00 C ATOM 72 N9 DG A 3 2.776 -3.396 -0.952 1.00 0.00 N ATOM 73 C8 DG A 3 3.352 -4.202 -1.891 1.00 0.00 C ATOM 74 N7 DG A 3 2.783 -4.156 -3.062 1.00 0.00 N ATOM 75 C5 DG A 3 1.706 -3.294 -2.866 1.00 0.00 C ATOM 76 C6 DG A 3 0.714 -2.827 -3.780 1.00 0.00 C ATOM 77 O6 DG A 3 0.652 -3.026 -4.988 1.00 0.00 O ATOM 78 N1 DG A 3 -0.268 -2.057 -3.161 1.00 0.00 N ATOM 79 C2 DG A 3 -0.255 -1.726 -1.827 1.00 0.00 C ATOM 80 N2 DG A 3 -1.309 -1.039 -1.393 1.00 0.00 N ATOM 81 N3 DG A 3 0.711 -2.101 -0.980 1.00 0.00 N ATOM 82 C4 DG A 3 1.655 -2.884 -1.555 1.00 0.00 C ATOM 0 H5' DG A 3 7.143 -1.768 0.303 1.00 0.00 H new ATOM 0 H5'' DG A 3 7.517 -2.749 1.707 1.00 0.00 H new ATOM 0 H4' DG A 3 5.255 -1.834 1.962 1.00 0.00 H new ATOM 0 H3' DG A 3 5.662 -4.754 1.751 1.00 0.00 H new ATOM 0 H2' DG A 3 3.484 -5.091 0.782 1.00 0.00 H new ATOM 0 H2'' DG A 3 2.791 -4.122 2.067 1.00 0.00 H new ATOM 0 H1' DG A 3 2.716 -2.230 0.764 1.00 0.00 H new ATOM 0 H8 DG A 3 4.208 -4.826 -1.681 1.00 0.00 H new ATOM 0 H1 DG A 3 -1.043 -1.719 -3.732 1.00 0.00 H new ATOM 0 H21 DG A 3 -1.367 -0.759 -0.414 1.00 0.00 H new ATOM 0 H22 DG A 3 -2.058 -0.793 -2.039 1.00 0.00 H new ATOM 94 P DT A 4 5.791 -4.427 4.347 1.00 0.00 P ATOM 95 OP1 DT A 4 6.986 -3.559 4.410 1.00 0.00 O ATOM 96 OP2 DT A 4 5.932 -5.872 4.065 1.00 0.00 O ATOM 97 O5' DT A 4 4.955 -4.266 5.707 1.00 0.00 O ATOM 98 C5' DT A 4 4.847 -3.017 6.354 1.00 0.00 C ATOM 99 C4' DT A 4 3.590 -2.988 7.223 1.00 0.00 C ATOM 100 O4' DT A 4 2.449 -2.973 6.380 1.00 0.00 O ATOM 101 C3' DT A 4 3.462 -4.217 8.132 1.00 0.00 C ATOM 102 O3' DT A 4 3.035 -3.798 9.415 1.00 0.00 O ATOM 103 C2' DT A 4 2.342 -5.003 7.469 1.00 0.00 C ATOM 104 C1' DT A 4 1.499 -3.866 6.921 1.00 0.00 C ATOM 105 N1 DT A 4 0.539 -4.375 5.920 1.00 0.00 N ATOM 106 C2 DT A 4 -0.752 -4.686 6.339 1.00 0.00 C ATOM 107 O2 DT A 4 -1.131 -4.565 7.501 1.00 0.00 O ATOM 108 N3 DT A 4 -1.617 -5.149 5.362 1.00 0.00 N ATOM 109 C4 DT A 4 -1.300 -5.344 4.028 1.00 0.00 C ATOM 110 O4 DT A 4 -2.170 -5.721 3.246 1.00 0.00 O ATOM 111 C5 DT A 4 0.088 -5.066 3.688 1.00 0.00 C ATOM 112 C7 DT A 4 0.551 -5.258 2.258 1.00 0.00 C ATOM 113 C6 DT A 4 0.949 -4.599 4.632 1.00 0.00 C ATOM 0 H5' DT A 4 4.807 -2.217 5.615 1.00 0.00 H new ATOM 0 H5'' DT A 4 5.729 -2.839 6.969 1.00 0.00 H new ATOM 0 H4' DT A 4 3.662 -2.099 7.849 1.00 0.00 H new ATOM 0 H3' DT A 4 4.388 -4.780 8.251 1.00 0.00 H new ATOM 0 H2' DT A 4 2.707 -5.665 6.684 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.793 -5.623 8.178 1.00 0.00 H new ATOM 0 H1' DT A 4 0.880 -3.373 7.670 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.571 -5.365 5.650 1.00 0.00 H new ATOM 0 H71 DT A 4 -0.034 -6.049 1.789 1.00 0.00 H new ATOM 0 H72 DT A 4 0.415 -4.329 1.704 1.00 0.00 H new ATOM 0 H73 DT A 4 1.605 -5.534 2.251 1.00 0.00 H new ATOM 0 H6 DT A 4 1.976 -4.401 4.361 1.00 0.00 H new ATOM 126 P DC A 5 3.901 -4.108 10.734 1.00 0.00 P ATOM 127 OP1 DC A 5 4.238 -5.549 10.729 1.00 0.00 O ATOM 128 OP2 DC A 5 3.194 -3.526 11.896 1.00 0.00 O ATOM 129 O5' DC A 5 5.264 -3.280 10.484 1.00 0.00 O ATOM 130 C5' DC A 5 5.488 -1.988 11.014 1.00 0.00 C ATOM 131 C4' DC A 5 6.978 -1.641 10.879 1.00 0.00 C ATOM 132 O4' DC A 5 7.738 -2.699 11.440 1.00 0.00 O ATOM 133 C3' DC A 5 7.429 -1.457 9.425 1.00 0.00 C ATOM 134 O3' DC A 5 8.234 -0.301 9.288 1.00 0.00 O ATOM 135 C2' DC A 5 8.334 -2.643 9.141 1.00 0.00 C ATOM 136 C1' DC A 5 8.754 -3.096 10.539 1.00 0.00 C ATOM 137 N1 DC A 5 8.896 -4.575 10.599 1.00 0.00 N ATOM 138 C2 DC A 5 10.082 -5.136 11.078 1.00 0.00 C ATOM 139 O2 DC A 5 11.026 -4.430 11.426 1.00 0.00 O ATOM 140 N3 DC A 5 10.175 -6.494 11.152 1.00 0.00 N ATOM 141 C4 DC A 5 9.154 -7.276 10.782 1.00 0.00 C ATOM 142 N4 DC A 5 9.304 -8.600 10.873 1.00 0.00 N ATOM 143 C5 DC A 5 7.924 -6.725 10.294 1.00 0.00 C ATOM 144 C6 DC A 5 7.845 -5.376 10.225 1.00 0.00 C ATOM 0 H5' DC A 5 5.187 -1.954 12.061 1.00 0.00 H new ATOM 0 H5'' DC A 5 4.881 -1.254 10.484 1.00 0.00 H new ATOM 0 H4' DC A 5 7.134 -0.694 11.396 1.00 0.00 H new ATOM 0 H3' DC A 5 6.565 -1.373 8.766 1.00 0.00 H new ATOM 0 H2' DC A 5 7.809 -3.432 8.602 1.00 0.00 H new ATOM 0 H2'' DC A 5 9.193 -2.359 8.533 1.00 0.00 H new ATOM 0 H1' DC A 5 9.715 -2.649 10.793 1.00 0.00 H new ATOM 0 H41 DC A 5 8.542 -9.220 10.598 1.00 0.00 H new ATOM 0 H42 DC A 5 10.181 -8.991 11.218 1.00 0.00 H new ATOM 0 H5 DC A 5 7.100 -7.356 9.996 1.00 0.00 H new ATOM 0 H6 DC A 5 6.934 -4.919 9.868 1.00 0.00 H new ATOM 156 P DC A 6 7.630 1.138 8.885 1.00 0.00 P ATOM 157 OP1 DC A 6 8.708 2.139 9.038 1.00 0.00 O ATOM 158 OP2 DC A 6 6.348 1.320 9.601 1.00 0.00 O ATOM 159 O5' DC A 6 7.311 0.986 7.311 1.00 0.00 O ATOM 160 C5' DC A 6 8.101 0.178 6.462 1.00 0.00 C ATOM 161 C4' DC A 6 7.668 0.209 4.988 1.00 0.00 C ATOM 162 O4' DC A 6 6.471 -0.458 4.652 1.00 0.00 O ATOM 163 C3' DC A 6 7.703 1.568 4.293 1.00 0.00 C ATOM 164 O3' DC A 6 8.490 1.420 3.122 1.00 0.00 O ATOM 165 C2' DC A 6 6.227 1.810 4.019 1.00 0.00 C ATOM 166 C1' DC A 6 5.639 0.406 3.900 1.00 0.00 C ATOM 167 N1 DC A 6 4.335 0.366 4.568 1.00 0.00 N ATOM 168 C2 DC A 6 3.202 0.035 3.852 1.00 0.00 C ATOM 169 O2 DC A 6 3.252 -0.064 2.633 1.00 0.00 O ATOM 170 N3 DC A 6 2.044 -0.181 4.529 1.00 0.00 N ATOM 171 C4 DC A 6 1.999 -0.034 5.859 1.00 0.00 C ATOM 172 N4 DC A 6 0.865 -0.360 6.477 1.00 0.00 N ATOM 173 C5 DC A 6 3.166 0.326 6.619 1.00 0.00 C ATOM 174 C6 DC A 6 4.309 0.496 5.919 1.00 0.00 C ATOM 0 H5' DC A 6 8.064 -0.851 6.819 1.00 0.00 H new ATOM 0 H5'' DC A 6 9.139 0.502 6.532 1.00 0.00 H new ATOM 0 H4' DC A 6 8.487 -0.389 4.588 1.00 0.00 H new ATOM 0 H3' DC A 6 8.141 2.401 4.842 1.00 0.00 H new ATOM 0 H2' DC A 6 5.758 2.372 4.827 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.080 2.383 3.104 1.00 0.00 H new ATOM 0 H1' DC A 6 5.557 0.128 2.849 1.00 0.00 H new ATOM 0 H41 DC A 6 0.790 -0.263 7.490 1.00 0.00 H new ATOM 0 H42 DC A 6 0.072 -0.707 5.938 1.00 0.00 H new ATOM 0 H5 DC A 6 3.130 0.453 7.691 1.00 0.00 H new ATOM 0 H6 DC A 6 5.220 0.740 6.445 1.00 0.00 H new ATOM 186 P DG A 7 8.793 2.630 2.101 1.00 0.00 P ATOM 187 OP1 DG A 7 9.992 2.278 1.309 1.00 0.00 O ATOM 188 OP2 DG A 7 8.761 3.901 2.859 1.00 0.00 O ATOM 189 O5' DG A 7 7.514 2.593 1.125 1.00 0.00 O ATOM 190 C5' DG A 7 7.260 1.506 0.252 1.00 0.00 C ATOM 191 C4' DG A 7 5.872 1.695 -0.371 1.00 0.00 C ATOM 192 O4' DG A 7 4.969 1.691 0.707 1.00 0.00 O ATOM 193 C3' DG A 7 5.722 3.056 -1.057 1.00 0.00 C ATOM 194 O3' DG A 7 5.678 2.938 -2.462 1.00 0.00 O ATOM 195 C2' DG A 7 4.328 3.480 -0.624 1.00 0.00 C ATOM 196 C1' DG A 7 3.821 2.364 0.274 1.00 0.00 C ATOM 197 N9 DG A 7 3.126 2.871 1.469 1.00 0.00 N ATOM 198 C8 DG A 7 3.691 3.586 2.483 1.00 0.00 C ATOM 199 N7 DG A 7 2.972 3.639 3.568 1.00 0.00 N ATOM 200 C5 DG A 7 1.805 2.962 3.219 1.00 0.00 C ATOM 201 C6 DG A 7 0.632 2.684 3.983 1.00 0.00 C ATOM 202 O6 DG A 7 0.441 2.901 5.174 1.00 0.00 O ATOM 203 N1 DG A 7 -0.377 2.098 3.222 1.00 0.00 N ATOM 204 C2 DG A 7 -0.237 1.751 1.900 1.00 0.00 C ATOM 205 N2 DG A 7 -1.334 1.281 1.311 1.00 0.00 N ATOM 206 N3 DG A 7 0.889 1.934 1.198 1.00 0.00 N ATOM 207 C4 DG A 7 1.867 2.550 1.909 1.00 0.00 C ATOM 0 H5' DG A 7 7.305 0.564 0.798 1.00 0.00 H new ATOM 0 H5'' DG A 7 8.021 1.460 -0.527 1.00 0.00 H new ATOM 0 H4' DG A 7 5.703 0.915 -1.113 1.00 0.00 H new ATOM 0 H3' DG A 7 6.543 3.726 -0.803 1.00 0.00 H new ATOM 0 H2' DG A 7 4.355 4.430 -0.091 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.675 3.617 -1.486 1.00 0.00 H new ATOM 0 H1' DG A 7 3.113 1.744 -0.276 1.00 0.00 H new ATOM 0 H8 DG A 7 4.653 4.068 2.394 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.273 1.916 3.673 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.307 1.003 0.330 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.202 1.199 1.841 1.00 0.00 H new ATOM 219 P DT A 8 6.968 3.259 -3.365 1.00 0.00 P ATOM 220 OP1 DT A 8 7.945 2.158 -3.223 1.00 0.00 O ATOM 221 OP2 DT A 8 7.377 4.658 -3.117 1.00 0.00 O ATOM 222 O5' DT A 8 6.300 3.183 -4.820 1.00 0.00 O ATOM 223 C5' DT A 8 5.957 1.943 -5.398 1.00 0.00 C ATOM 224 C4' DT A 8 4.877 2.136 -6.463 1.00 0.00 C ATOM 225 O4' DT A 8 3.639 2.406 -5.826 1.00 0.00 O ATOM 226 C3' DT A 8 5.165 3.309 -7.403 1.00 0.00 C ATOM 227 O3' DT A 8 4.826 2.917 -8.721 1.00 0.00 O ATOM 228 C2' DT A 8 4.185 4.367 -6.919 1.00 0.00 C ATOM 229 C1' DT A 8 3.027 3.479 -6.507 1.00 0.00 C ATOM 230 N1 DT A 8 2.079 4.232 -5.660 1.00 0.00 N ATOM 231 C2 DT A 8 0.965 4.807 -6.266 1.00 0.00 C ATOM 232 O2 DT A 8 0.753 4.756 -7.475 1.00 0.00 O ATOM 233 N3 DT A 8 0.082 5.461 -5.424 1.00 0.00 N ATOM 234 C4 DT A 8 0.221 5.595 -4.052 1.00 0.00 C ATOM 235 O4 DT A 8 -0.651 6.174 -3.409 1.00 0.00 O ATOM 236 C5 DT A 8 1.438 5.010 -3.506 1.00 0.00 C ATOM 237 C7 DT A 8 1.671 5.059 -2.009 1.00 0.00 C ATOM 238 C6 DT A 8 2.320 4.365 -4.319 1.00 0.00 C ATOM 0 H5' DT A 8 5.599 1.261 -4.627 1.00 0.00 H new ATOM 0 H5'' DT A 8 6.840 1.485 -5.844 1.00 0.00 H new ATOM 0 H4' DT A 8 4.853 1.218 -7.050 1.00 0.00 H new ATOM 0 H3' DT A 8 6.202 3.645 -7.405 1.00 0.00 H new ATOM 0 H2' DT A 8 4.579 4.952 -6.088 1.00 0.00 H new ATOM 0 H2'' DT A 8 3.911 5.073 -7.703 1.00 0.00 H new ATOM 0 H1' DT A 8 2.432 3.121 -7.347 1.00 0.00 H new ATOM 0 H3 DT A 8 -0.743 5.881 -5.851 1.00 0.00 H new ATOM 0 H71 DT A 8 1.193 5.947 -1.595 1.00 0.00 H new ATOM 0 H72 DT A 8 1.247 4.168 -1.545 1.00 0.00 H new ATOM 0 H73 DT A 8 2.742 5.097 -1.808 1.00 0.00 H new ATOM 0 H6 DT A 8 3.225 3.951 -3.899 1.00 0.00 H new TER 251 DT A 8 ATOM 252 P DC B 1 -4.649 -5.329 -9.544 1.00 0.00 P ATOM 253 OP1 DC B 1 -5.296 -6.620 -9.220 1.00 0.00 O ATOM 254 OP2 DC B 1 -3.828 -5.210 -10.769 1.00 0.00 O ATOM 255 O5' DC B 1 -5.800 -4.196 -9.578 1.00 0.00 O ATOM 256 C5' DC B 1 -5.706 -3.027 -10.372 1.00 0.00 C ATOM 257 C4' DC B 1 -7.082 -2.346 -10.438 1.00 0.00 C ATOM 258 O4' DC B 1 -8.042 -3.304 -10.850 1.00 0.00 O ATOM 259 C3' DC B 1 -7.539 -1.769 -9.092 1.00 0.00 C ATOM 260 O3' DC B 1 -8.006 -0.436 -9.240 1.00 0.00 O ATOM 261 C2' DC B 1 -8.720 -2.630 -8.679 1.00 0.00 C ATOM 262 C1' DC B 1 -9.170 -3.258 -9.998 1.00 0.00 C ATOM 263 N1 DC B 1 -9.664 -4.643 -9.783 1.00 0.00 N ATOM 264 C2 DC B 1 -10.941 -4.997 -10.223 1.00 0.00 C ATOM 265 O2 DC B 1 -11.682 -4.175 -10.757 1.00 0.00 O ATOM 266 N3 DC B 1 -11.357 -6.284 -10.046 1.00 0.00 N ATOM 267 C4 DC B 1 -10.562 -7.192 -9.468 1.00 0.00 C ATOM 268 N4 DC B 1 -11.022 -8.436 -9.321 1.00 0.00 N ATOM 269 C5 DC B 1 -9.245 -6.855 -9.011 1.00 0.00 C ATOM 270 C6 DC B 1 -8.846 -5.576 -9.194 1.00 0.00 C ATOM 0 H5' DC B 1 -5.365 -3.282 -11.375 1.00 0.00 H new ATOM 0 H5'' DC B 1 -4.969 -2.344 -9.949 1.00 0.00 H new ATOM 0 H4' DC B 1 -6.993 -1.517 -11.140 1.00 0.00 H new ATOM 0 H3' DC B 1 -6.720 -1.765 -8.373 1.00 0.00 H new ATOM 0 H2' DC B 1 -8.431 -3.387 -7.950 1.00 0.00 H new ATOM 0 H2'' DC B 1 -9.513 -2.036 -8.224 1.00 0.00 H new ATOM 0 H1' DC B 1 -9.979 -2.668 -10.429 1.00 0.00 H new ATOM 0 H41 DC B 1 -10.437 -9.148 -8.884 1.00 0.00 H new ATOM 0 H42 DC B 1 -11.959 -8.675 -9.646 1.00 0.00 H new ATOM 0 H5 DC B 1 -8.603 -7.587 -8.543 1.00 0.00 H new ATOM 0 H6 DC B 1 -7.859 -5.281 -8.869 1.00 0.00 H new ATOM 282 P DC B 2 -7.036 0.843 -9.053 1.00 0.00 P ATOM 283 OP1 DC B 2 -7.557 1.932 -9.907 1.00 0.00 O ATOM 284 OP2 DC B 2 -5.637 0.387 -9.220 1.00 0.00 O ATOM 285 O5' DC B 2 -7.239 1.288 -7.507 1.00 0.00 O ATOM 286 C5' DC B 2 -7.948 0.477 -6.588 1.00 0.00 C ATOM 287 C4' DC B 2 -7.702 0.800 -5.105 1.00 0.00 C ATOM 288 O4' DC B 2 -6.690 0.023 -4.497 1.00 0.00 O ATOM 289 C3' DC B 2 -7.501 2.259 -4.685 1.00 0.00 C ATOM 290 O3' DC B 2 -8.296 2.467 -3.529 1.00 0.00 O ATOM 291 C2' DC B 2 -6.006 2.295 -4.412 1.00 0.00 C ATOM 292 C1' DC B 2 -5.681 0.868 -3.984 1.00 0.00 C ATOM 293 N1 DC B 2 -4.429 0.453 -4.621 1.00 0.00 N ATOM 294 C2 DC B 2 -3.335 0.143 -3.840 1.00 0.00 C ATOM 295 O2 DC B 2 -3.360 0.347 -2.634 1.00 0.00 O ATOM 296 N3 DC B 2 -2.244 -0.395 -4.443 1.00 0.00 N ATOM 297 C4 DC B 2 -2.208 -0.553 -5.770 1.00 0.00 C ATOM 298 N4 DC B 2 -1.172 -1.205 -6.291 1.00 0.00 N ATOM 299 C5 DC B 2 -3.314 -0.173 -6.605 1.00 0.00 C ATOM 300 C6 DC B 2 -4.407 0.302 -5.970 1.00 0.00 C ATOM 0 H5' DC B 2 -7.681 -0.565 -6.766 1.00 0.00 H new ATOM 0 H5'' DC B 2 -9.015 0.572 -6.792 1.00 0.00 H new ATOM 0 H4' DC B 2 -8.688 0.523 -4.732 1.00 0.00 H new ATOM 0 H3' DC B 2 -7.789 3.032 -5.397 1.00 0.00 H new ATOM 0 H2' DC B 2 -5.444 2.584 -5.300 1.00 0.00 H new ATOM 0 H2'' DC B 2 -5.759 3.013 -3.630 1.00 0.00 H new ATOM 0 H1' DC B 2 -5.608 0.813 -2.898 1.00 0.00 H new ATOM 0 H41 DC B 2 -1.112 -1.344 -7.300 1.00 0.00 H new ATOM 0 H42 DC B 2 -0.438 -1.566 -5.682 1.00 0.00 H new ATOM 0 H5 DC B 2 -3.273 -0.262 -7.681 1.00 0.00 H new ATOM 0 H6 DC B 2 -5.281 0.567 -6.547 1.00 0.00 H new ATOM 312 P DG B 3 -8.323 3.857 -2.714 1.00 0.00 P ATOM 313 OP1 DG B 3 -9.548 3.882 -1.884 1.00 0.00 O ATOM 314 OP2 DG B 3 -8.055 4.961 -3.662 1.00 0.00 O ATOM 315 O5' DG B 3 -7.053 3.710 -1.738 1.00 0.00 O ATOM 316 C5' DG B 3 -6.973 2.690 -0.756 1.00 0.00 C ATOM 317 C4' DG B 3 -5.603 2.761 -0.074 1.00 0.00 C ATOM 318 O4' DG B 3 -4.634 2.516 -1.054 1.00 0.00 O ATOM 319 C3' DG B 3 -5.330 4.161 0.474 1.00 0.00 C ATOM 320 O3' DG B 3 -5.390 4.133 1.879 1.00 0.00 O ATOM 321 C2' DG B 3 -3.897 4.423 0.062 1.00 0.00 C ATOM 322 C1' DG B 3 -3.451 3.152 -0.648 1.00 0.00 C ATOM 323 N9 DG B 3 -2.702 3.391 -1.896 1.00 0.00 N ATOM 324 C8 DG B 3 -3.201 3.945 -3.040 1.00 0.00 C ATOM 325 N7 DG B 3 -2.524 3.655 -4.118 1.00 0.00 N ATOM 326 C5 DG B 3 -1.464 2.885 -3.642 1.00 0.00 C ATOM 327 C6 DG B 3 -0.409 2.216 -4.342 1.00 0.00 C ATOM 328 O6 DG B 3 -0.245 2.112 -5.553 1.00 0.00 O ATOM 329 N1 DG B 3 0.504 1.618 -3.479 1.00 0.00 N ATOM 330 C2 DG B 3 0.359 1.586 -2.117 1.00 0.00 C ATOM 331 N2 DG B 3 1.348 0.991 -1.467 1.00 0.00 N ATOM 332 N3 DG B 3 -0.668 2.131 -1.454 1.00 0.00 N ATOM 333 C4 DG B 3 -1.537 2.774 -2.274 1.00 0.00 C ATOM 0 H5' DG B 3 -7.114 1.712 -1.216 1.00 0.00 H new ATOM 0 H5'' DG B 3 -7.767 2.813 -0.020 1.00 0.00 H new ATOM 0 H4' DG B 3 -5.579 2.040 0.743 1.00 0.00 H new ATOM 0 H3' DG B 3 -6.039 4.907 0.114 1.00 0.00 H new ATOM 0 H2' DG B 3 -3.828 5.288 -0.597 1.00 0.00 H new ATOM 0 H2'' DG B 3 -3.269 4.632 0.928 1.00 0.00 H new ATOM 0 H1' DG B 3 -2.809 2.597 0.036 1.00 0.00 H new ATOM 0 H8 DG B 3 -4.081 4.570 -3.052 1.00 0.00 H new ATOM 0 H1 DG B 3 1.330 1.177 -3.884 1.00 0.00 H new ATOM 0 H21 DG B 3 1.321 0.922 -0.450 1.00 0.00 H new ATOM 0 H22 DG B 3 2.136 0.601 -1.984 1.00 0.00 H new ATOM 345 P DT B 4 -6.280 5.193 2.695 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.606 4.601 2.974 1.00 0.00 O ATOM 347 OP2 DT B 4 -6.172 6.519 2.047 1.00 0.00 O ATOM 348 O5' DT B 4 -5.431 5.236 4.046 1.00 0.00 O ATOM 349 C5' DT B 4 -5.359 4.115 4.897 1.00 0.00 C ATOM 350 C4' DT B 4 -4.186 4.297 5.855 1.00 0.00 C ATOM 351 O4' DT B 4 -2.971 4.154 5.138 1.00 0.00 O ATOM 352 C3' DT B 4 -4.186 5.696 6.479 1.00 0.00 C ATOM 353 O3' DT B 4 -3.922 5.575 7.865 1.00 0.00 O ATOM 354 C2' DT B 4 -3.031 6.376 5.765 1.00 0.00 C ATOM 355 C1' DT B 4 -2.112 5.192 5.558 1.00 0.00 C ATOM 356 N1 DT B 4 -1.069 5.544 4.573 1.00 0.00 N ATOM 357 C2 DT B 4 0.142 6.024 5.065 1.00 0.00 C ATOM 358 O2 DT B 4 0.350 6.234 6.258 1.00 0.00 O ATOM 359 N3 DT B 4 1.126 6.270 4.128 1.00 0.00 N ATOM 360 C4 DT B 4 1.011 6.066 2.765 1.00 0.00 C ATOM 361 O4 DT B 4 1.971 6.311 2.039 1.00 0.00 O ATOM 362 C5 DT B 4 -0.289 5.574 2.326 1.00 0.00 C ATOM 363 C7 DT B 4 -0.429 5.153 0.871 1.00 0.00 C ATOM 364 C6 DT B 4 -1.288 5.359 3.231 1.00 0.00 C ATOM 0 H5' DT B 4 -5.230 3.205 4.311 1.00 0.00 H new ATOM 0 H5'' DT B 4 -6.289 4.005 5.456 1.00 0.00 H new ATOM 0 H4' DT B 4 -4.281 3.547 6.641 1.00 0.00 H new ATOM 0 H3' DT B 4 -5.124 6.242 6.379 1.00 0.00 H new ATOM 0 H2' DT B 4 -3.336 6.836 4.825 1.00 0.00 H new ATOM 0 H2'' DT B 4 -2.572 7.159 6.368 1.00 0.00 H new ATOM 0 H1' DT B 4 -1.563 4.885 6.448 1.00 0.00 H new ATOM 0 H3 DT B 4 2.015 6.634 4.471 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.176 4.364 0.791 1.00 0.00 H new ATOM 0 H72 DT B 4 -0.740 6.009 0.273 1.00 0.00 H new ATOM 0 H73 DT B 4 0.529 4.784 0.505 1.00 0.00 H new ATOM 0 H6 DT B 4 -2.261 5.040 2.887 1.00 0.00 H new ATOM 377 P DC B 5 -4.797 6.375 8.950 1.00 0.00 P ATOM 378 OP1 DC B 5 -4.870 7.791 8.526 1.00 0.00 O ATOM 379 OP2 DC B 5 -4.292 6.035 10.298 1.00 0.00 O ATOM 380 O5' DC B 5 -6.262 5.722 8.762 1.00 0.00 O ATOM 381 C5' DC B 5 -6.711 4.613 9.517 1.00 0.00 C ATOM 382 C4' DC B 5 -8.196 4.356 9.219 1.00 0.00 C ATOM 383 O4' DC B 5 -8.894 5.591 9.279 1.00 0.00 O ATOM 384 C3' DC B 5 -8.452 3.734 7.841 1.00 0.00 C ATOM 385 O3' DC B 5 -9.373 2.663 7.937 1.00 0.00 O ATOM 386 C2' DC B 5 -9.143 4.825 7.042 1.00 0.00 C ATOM 387 C1' DC B 5 -9.695 5.752 8.124 1.00 0.00 C ATOM 388 N1 DC B 5 -9.641 7.170 7.686 1.00 0.00 N ATOM 389 C2 DC B 5 -10.795 7.954 7.736 1.00 0.00 C ATOM 390 O2 DC B 5 -11.866 7.489 8.122 1.00 0.00 O ATOM 391 N3 DC B 5 -10.716 9.258 7.346 1.00 0.00 N ATOM 392 C4 DC B 5 -9.557 9.782 6.928 1.00 0.00 C ATOM 393 N4 DC B 5 -9.541 11.062 6.552 1.00 0.00 N ATOM 394 C5 DC B 5 -8.355 9.003 6.877 1.00 0.00 C ATOM 395 C6 DC B 5 -8.449 7.711 7.267 1.00 0.00 C ATOM 0 H5' DC B 5 -6.571 4.803 10.581 1.00 0.00 H new ATOM 0 H5'' DC B 5 -6.122 3.730 9.271 1.00 0.00 H new ATOM 0 H4' DC B 5 -8.544 3.643 9.967 1.00 0.00 H new ATOM 0 H3' DC B 5 -7.522 3.370 7.405 1.00 0.00 H new ATOM 0 H2' DC B 5 -8.447 5.344 6.383 1.00 0.00 H new ATOM 0 H2'' DC B 5 -9.937 4.422 6.413 1.00 0.00 H new ATOM 0 H1' DC B 5 -10.736 5.499 8.326 1.00 0.00 H new ATOM 0 H41 DC B 5 -8.672 11.488 6.229 1.00 0.00 H new ATOM 0 H42 DC B 5 -10.398 11.615 6.587 1.00 0.00 H new ATOM 0 H5 DC B 5 -7.419 9.427 6.543 1.00 0.00 H new ATOM 0 H6 DC B 5 -7.566 7.090 7.249 1.00 0.00 H new ATOM 407 P DC B 6 -8.910 1.121 8.007 1.00 0.00 P ATOM 408 OP1 DC B 6 -10.110 0.299 8.275 1.00 0.00 O ATOM 409 OP2 DC B 6 -7.739 1.029 8.907 1.00 0.00 O ATOM 410 O5' DC B 6 -8.417 0.809 6.502 1.00 0.00 O ATOM 411 C5' DC B 6 -9.122 1.279 5.372 1.00 0.00 C ATOM 412 C4' DC B 6 -8.469 0.928 4.025 1.00 0.00 C ATOM 413 O4' DC B 6 -7.196 1.474 3.766 1.00 0.00 O ATOM 414 C3' DC B 6 -8.494 -0.536 3.575 1.00 0.00 C ATOM 415 O3' DC B 6 -9.111 -0.559 2.297 1.00 0.00 O ATOM 416 C2' DC B 6 -7.017 -0.880 3.542 1.00 0.00 C ATOM 417 C1' DC B 6 -6.344 0.459 3.264 1.00 0.00 C ATOM 418 N1 DC B 6 -5.127 0.534 4.070 1.00 0.00 N ATOM 419 C2 DC B 6 -3.898 0.615 3.449 1.00 0.00 C ATOM 420 O2 DC B 6 -3.804 0.436 2.242 1.00 0.00 O ATOM 421 N3 DC B 6 -2.812 0.906 4.207 1.00 0.00 N ATOM 422 C4 DC B 6 -2.926 1.046 5.534 1.00 0.00 C ATOM 423 N4 DC B 6 -1.855 1.467 6.200 1.00 0.00 N ATOM 424 C5 DC B 6 -4.190 0.897 6.204 1.00 0.00 C ATOM 425 C6 DC B 6 -5.260 0.660 5.416 1.00 0.00 C ATOM 0 H5' DC B 6 -9.219 2.362 5.444 1.00 0.00 H new ATOM 0 H5'' DC B 6 -10.131 0.867 5.391 1.00 0.00 H new ATOM 0 H4' DC B 6 -9.190 1.458 3.403 1.00 0.00 H new ATOM 0 H3' DC B 6 -9.044 -1.242 4.197 1.00 0.00 H new ATOM 0 H2' DC B 6 -6.684 -1.308 4.488 1.00 0.00 H new ATOM 0 H2'' DC B 6 -6.793 -1.611 2.765 1.00 0.00 H new ATOM 0 H1' DC B 6 -6.138 0.568 2.199 1.00 0.00 H new ATOM 0 H41 DC B 6 -1.898 1.587 7.212 1.00 0.00 H new ATOM 0 H42 DC B 6 -0.990 1.670 5.699 1.00 0.00 H new ATOM 0 H5 DC B 6 -4.278 0.971 7.278 1.00 0.00 H new ATOM 0 H6 DC B 6 -6.239 0.569 5.863 1.00 0.00 H new ATOM 437 P DG B 7 -9.291 -1.899 1.424 1.00 0.00 P ATOM 438 OP1 DG B 7 -10.319 -1.643 0.392 1.00 0.00 O ATOM 439 OP2 DG B 7 -9.446 -3.043 2.350 1.00 0.00 O ATOM 440 O5' DG B 7 -7.863 -2.033 0.693 1.00 0.00 O ATOM 441 C5' DG B 7 -7.385 -1.062 -0.223 1.00 0.00 C ATOM 442 C4' DG B 7 -5.980 -1.462 -0.687 1.00 0.00 C ATOM 443 O4' DG B 7 -5.141 -1.420 0.434 1.00 0.00 O ATOM 444 C3' DG B 7 -5.959 -2.902 -1.192 1.00 0.00 C ATOM 445 O3' DG B 7 -5.835 -2.904 -2.595 1.00 0.00 O ATOM 446 C2' DG B 7 -4.695 -3.466 -0.581 1.00 0.00 C ATOM 447 C1' DG B 7 -4.079 -2.305 0.195 1.00 0.00 C ATOM 448 N9 DG B 7 -3.583 -2.666 1.535 1.00 0.00 N ATOM 449 C8 DG B 7 -4.356 -3.046 2.598 1.00 0.00 C ATOM 450 N7 DG B 7 -3.785 -2.893 3.761 1.00 0.00 N ATOM 451 C5 DG B 7 -2.517 -2.409 3.444 1.00 0.00 C ATOM 452 C6 DG B 7 -1.446 -1.981 4.291 1.00 0.00 C ATOM 453 O6 DG B 7 -1.439 -1.888 5.514 1.00 0.00 O ATOM 454 N1 DG B 7 -0.308 -1.626 3.574 1.00 0.00 N ATOM 455 C2 DG B 7 -0.247 -1.600 2.207 1.00 0.00 C ATOM 456 N2 DG B 7 0.927 -1.227 1.715 1.00 0.00 N ATOM 457 N3 DG B 7 -1.267 -1.917 1.400 1.00 0.00 N ATOM 458 C4 DG B 7 -2.369 -2.322 2.080 1.00 0.00 C ATOM 0 H5' DG B 7 -7.360 -0.080 0.249 1.00 0.00 H new ATOM 0 H5'' DG B 7 -8.057 -0.988 -1.078 1.00 0.00 H new ATOM 0 H4' DG B 7 -5.666 -0.788 -1.484 1.00 0.00 H new ATOM 0 H3' DG B 7 -6.857 -3.464 -0.934 1.00 0.00 H new ATOM 0 H2' DG B 7 -4.916 -4.307 0.076 1.00 0.00 H new ATOM 0 H2'' DG B 7 -4.014 -3.832 -1.350 1.00 0.00 H new ATOM 0 H1' DG B 7 -3.240 -1.923 -0.387 1.00 0.00 H new ATOM 0 H8 DG B 7 -5.355 -3.440 2.484 1.00 0.00 H new ATOM 0 H1 DG B 7 0.529 -1.370 4.097 1.00 0.00 H new ATOM 0 H21 DG B 7 1.065 -1.179 0.706 1.00 0.00 H new ATOM 0 H22 DG B 7 1.692 -0.989 2.346 1.00 0.00 H new ATOM 470 P DT B 8 -6.679 -3.936 -3.493 1.00 0.00 P ATOM 471 OP1 DT B 8 -7.888 -3.255 -4.006 1.00 0.00 O ATOM 472 OP2 DT B 8 -6.795 -5.222 -2.770 1.00 0.00 O ATOM 473 O5' DT B 8 -5.652 -4.147 -4.694 1.00 0.00 O ATOM 474 C5' DT B 8 -5.351 -3.103 -5.593 1.00 0.00 C ATOM 475 C4' DT B 8 -4.101 -3.498 -6.371 1.00 0.00 C ATOM 476 O4' DT B 8 -2.996 -3.536 -5.479 1.00 0.00 O ATOM 477 C3' DT B 8 -4.252 -4.900 -6.971 1.00 0.00 C ATOM 478 O3' DT B 8 -3.738 -4.902 -8.289 1.00 0.00 O ATOM 479 C2' DT B 8 -3.367 -5.742 -6.068 1.00 0.00 C ATOM 480 C1' DT B 8 -2.290 -4.732 -5.734 1.00 0.00 C ATOM 481 N1 DT B 8 -1.493 -5.226 -4.593 1.00 0.00 N ATOM 482 C2 DT B 8 -0.339 -5.948 -4.884 1.00 0.00 C ATOM 483 O2 DT B 8 0.004 -6.243 -6.027 1.00 0.00 O ATOM 484 N3 DT B 8 0.427 -6.338 -3.804 1.00 0.00 N ATOM 485 C4 DT B 8 0.146 -6.066 -2.478 1.00 0.00 C ATOM 486 O4 DT B 8 0.928 -6.446 -1.609 1.00 0.00 O ATOM 487 C5 DT B 8 -1.095 -5.338 -2.250 1.00 0.00 C ATOM 488 C7 DT B 8 -1.396 -4.889 -0.829 1.00 0.00 C ATOM 489 C6 DT B 8 -1.884 -4.965 -3.303 1.00 0.00 C ATOM 0 H5' DT B 8 -5.185 -2.171 -5.053 1.00 0.00 H new ATOM 0 H5'' DT B 8 -6.186 -2.933 -6.273 1.00 0.00 H new ATOM 0 H4' DT B 8 -3.951 -2.770 -7.168 1.00 0.00 H new ATOM 0 H3' DT B 8 -5.282 -5.254 -7.025 1.00 0.00 H new ATOM 0 H2' DT B 8 -3.894 -6.097 -5.182 1.00 0.00 H new ATOM 0 H2'' DT B 8 -2.970 -6.621 -6.576 1.00 0.00 H new ATOM 0 H1' DT B 8 -1.562 -4.564 -6.528 1.00 0.00 H new ATOM 0 H3 DT B 8 1.273 -6.873 -4.001 1.00 0.00 H new ATOM 0 H71 DT B 8 -1.987 -3.974 -0.854 1.00 0.00 H new ATOM 0 H72 DT B 8 -1.956 -5.668 -0.312 1.00 0.00 H new ATOM 0 H73 DT B 8 -0.461 -4.703 -0.301 1.00 0.00 H new ATOM 0 H6 DT B 8 -2.821 -4.461 -3.118 1.00 0.00 H new TER 502 DT B 8