USER MOD reduce.3.24.130724 H: found=0, std=0, add=184, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 184 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 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.246 (180deg=-0.246) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl -30:sc= -0.0744 (180deg=-0.239) USER MOD Single : B 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.15 (180deg=-0.15) USER MOD Single : B 7 DT C7 :methyl 150:sc= -0.0594 (180deg=-0.0594) USER MOD Single : B 8 DT C7 :methyl 150:sc=-0.00641 (180deg=-0.00641) USER MOD ----------------------------------------------------------------- ATOM 1 P DC A 1 6.184 3.003 -9.159 1.00 8.00 P ATOM 2 OP1 DC A 1 5.981 4.442 -9.405 1.00 8.00 O ATOM 3 OP2 DC A 1 5.233 1.967 -9.620 1.00 8.00 O ATOM 4 O5' DC A 1 7.626 2.557 -9.648 1.00 8.00 O ATOM 5 C5' DC A 1 8.784 3.235 -9.225 1.00 8.00 C ATOM 6 C4' DC A 1 9.846 2.184 -8.880 1.00 8.00 C ATOM 7 O4' DC A 1 11.128 2.663 -9.266 1.00 8.00 O ATOM 8 C3' DC A 1 9.918 1.869 -7.390 1.00 8.00 C ATOM 9 O3' DC A 1 10.223 0.513 -7.186 1.00 8.00 O ATOM 10 C2' DC A 1 11.110 2.666 -6.911 1.00 8.00 C ATOM 11 C1' DC A 1 11.999 2.638 -8.150 1.00 8.00 C ATOM 12 N1 DC A 1 12.844 3.850 -8.190 1.00 8.00 N ATOM 13 C2 DC A 1 14.224 3.723 -8.143 1.00 8.00 C ATOM 14 O2 DC A 1 14.753 2.622 -8.046 1.00 8.00 O ATOM 15 N3 DC A 1 14.994 4.838 -8.199 1.00 8.00 N ATOM 16 C4 DC A 1 14.422 6.022 -8.294 1.00 8.00 C ATOM 17 N4 DC A 1 15.228 7.058 -8.341 1.00 8.00 N ATOM 18 C5 DC A 1 13.013 6.202 -8.328 1.00 8.00 C ATOM 19 C6 DC A 1 12.261 5.082 -8.278 1.00 8.00 C ATOM 0 H5' DC A 1 8.566 3.857 -8.357 1.00 8.00 H new ATOM 0 H5'' DC A 1 9.145 3.899 -10.010 1.00 8.00 H new ATOM 0 H4' DC A 1 9.561 1.278 -9.414 1.00 8.00 H new ATOM 0 H3' DC A 1 8.979 2.096 -6.885 1.00 8.00 H new ATOM 0 H2' DC A 1 10.838 3.681 -6.622 1.00 8.00 H new ATOM 0 H2'' DC A 1 11.592 2.208 -6.048 1.00 8.00 H new ATOM 0 H1' DC A 1 12.643 1.758 -8.147 1.00 8.00 H new ATOM 0 H41 DC A 1 14.844 8.000 -8.415 1.00 8.00 H new ATOM 0 H42 DC A 1 16.238 6.920 -8.304 1.00 8.00 H new ATOM 0 H5 DC A 1 12.567 7.184 -8.391 1.00 8.00 H new ATOM 0 H6 DC A 1 11.184 5.161 -8.308 1.00 8.00 H new ATOM 31 P DA A 2 9.063 -0.567 -7.010 1.00 8.00 P ATOM 32 OP1 DA A 2 9.657 -1.914 -6.927 1.00 8.00 O ATOM 33 OP2 DA A 2 7.954 -0.293 -7.960 1.00 8.00 O ATOM 34 O5' DA A 2 8.493 -0.199 -5.565 1.00 8.00 O ATOM 35 C5' DA A 2 9.327 0.177 -4.503 1.00 8.00 C ATOM 36 C4' DA A 2 8.620 -0.062 -3.170 1.00 8.00 C ATOM 37 O4' DA A 2 7.301 0.446 -3.219 1.00 8.00 O ATOM 38 C3' DA A 2 8.538 -1.536 -2.756 1.00 8.00 C ATOM 39 O3' DA A 2 8.750 -1.511 -1.365 1.00 8.00 O ATOM 40 C2' DA A 2 7.128 -1.951 -3.159 1.00 8.00 C ATOM 41 C1' DA A 2 6.381 -0.624 -3.151 1.00 8.00 C ATOM 42 N9 DA A 2 5.427 -0.541 -4.270 1.00 8.00 N ATOM 43 C8 DA A 2 5.580 -0.808 -5.609 1.00 8.00 C ATOM 44 N7 DA A 2 4.520 -0.579 -6.340 1.00 8.00 N ATOM 45 C5 DA A 2 3.593 -0.131 -5.388 1.00 8.00 C ATOM 46 C6 DA A 2 2.265 0.325 -5.428 1.00 8.00 C ATOM 47 N6 DA A 2 1.519 0.358 -6.518 1.00 8.00 N ATOM 48 N1 DA A 2 1.683 0.779 -4.319 1.00 8.00 N ATOM 49 C2 DA A 2 2.368 0.775 -3.188 1.00 8.00 C ATOM 50 N3 DA A 2 3.596 0.353 -2.992 1.00 8.00 N ATOM 51 C4 DA A 2 4.156 -0.075 -4.144 1.00 8.00 C ATOM 0 H5' DA A 2 9.597 1.229 -4.597 1.00 8.00 H new ATOM 0 H5'' DA A 2 10.255 -0.394 -4.539 1.00 8.00 H new ATOM 0 H4' DA A 2 9.229 0.456 -2.429 1.00 8.00 H new ATOM 0 H3' DA A 2 9.248 -2.232 -3.203 1.00 8.00 H new ATOM 0 H2' DA A 2 7.109 -2.422 -4.142 1.00 8.00 H new ATOM 0 H2'' DA A 2 6.698 -2.664 -2.455 1.00 8.00 H new ATOM 0 H1' DA A 2 5.816 -0.558 -2.221 1.00 8.00 H new ATOM 0 H8 DA A 2 6.505 -1.179 -6.026 1.00 8.00 H new ATOM 0 H61 DA A 2 0.560 0.703 -6.470 1.00 8.00 H new ATOM 0 H62 DA A 2 1.902 0.038 -7.408 1.00 8.00 H new ATOM 0 H2 DA A 2 1.856 1.166 -2.321 1.00 8.00 H new ATOM 63 P DT A 3 8.639 -2.777 -0.409 1.00 8.00 P ATOM 64 OP1 DT A 3 9.315 -2.331 0.824 1.00 8.00 O ATOM 65 OP2 DT A 3 9.061 -4.045 -1.034 1.00 8.00 O ATOM 66 O5' DT A 3 7.098 -3.008 -0.104 1.00 8.00 O ATOM 67 C5' DT A 3 6.430 -2.305 0.913 1.00 8.00 C ATOM 68 C4' DT A 3 4.921 -2.552 0.839 1.00 8.00 C ATOM 69 O4' DT A 3 4.383 -1.919 -0.309 1.00 8.00 O ATOM 70 C3' DT A 3 4.532 -4.027 0.686 1.00 8.00 C ATOM 71 O3' DT A 3 4.165 -4.622 1.905 1.00 8.00 O ATOM 72 C2' DT A 3 3.308 -3.972 -0.215 1.00 8.00 C ATOM 73 C1' DT A 3 3.111 -2.490 -0.514 1.00 8.00 C ATOM 74 N1 DT A 3 2.705 -2.383 -1.923 1.00 8.00 N ATOM 75 C2 DT A 3 1.405 -2.026 -2.204 1.00 8.00 C ATOM 76 O2 DT A 3 0.617 -1.613 -1.366 1.00 8.00 O ATOM 77 N3 DT A 3 1.014 -2.165 -3.507 1.00 8.00 N ATOM 78 C4 DT A 3 1.727 -2.742 -4.522 1.00 8.00 C ATOM 79 O4 DT A 3 1.204 -2.850 -5.627 1.00 8.00 O ATOM 80 C5 DT A 3 3.062 -3.169 -4.139 1.00 8.00 C ATOM 81 C7 DT A 3 3.935 -4.014 -5.048 1.00 8.00 C ATOM 82 C6 DT A 3 3.496 -2.950 -2.881 1.00 8.00 C ATOM 0 H5' DT A 3 6.634 -1.238 0.819 1.00 8.00 H new ATOM 0 H5'' DT A 3 6.808 -2.618 1.887 1.00 8.00 H new ATOM 0 H4' DT A 3 4.535 -2.164 1.782 1.00 8.00 H new ATOM 0 H3' DT A 3 5.365 -4.616 0.302 1.00 8.00 H new ATOM 0 H2' DT A 3 3.465 -4.543 -1.130 1.00 8.00 H new ATOM 0 H2'' DT A 3 2.434 -4.396 0.279 1.00 8.00 H new ATOM 0 H1' DT A 3 2.358 -1.997 0.101 1.00 8.00 H new ATOM 0 H3 DT A 3 0.093 -1.800 -3.748 1.00 8.00 H new ATOM 0 H71 DT A 3 4.984 -3.786 -4.860 1.00 8.00 H new ATOM 0 H72 DT A 3 3.752 -5.070 -4.850 1.00 8.00 H new ATOM 0 H73 DT A 3 3.697 -3.794 -6.089 1.00 8.00 H new ATOM 0 H6 DT A 3 4.505 -3.233 -2.622 1.00 8.00 H new ATOM 95 P DT A 4 5.129 -5.693 2.591 1.00 8.00 P ATOM 96 OP1 DT A 4 6.491 -5.568 2.006 1.00 8.00 O ATOM 97 OP2 DT A 4 4.417 -6.991 2.521 1.00 8.00 O ATOM 98 O5' DT A 4 5.130 -5.235 4.123 1.00 8.00 O ATOM 99 C5' DT A 4 5.985 -4.217 4.606 1.00 8.00 C ATOM 100 C4' DT A 4 5.623 -3.787 6.038 1.00 8.00 C ATOM 101 O4' DT A 4 4.372 -3.106 6.025 1.00 8.00 O ATOM 102 C3' DT A 4 5.484 -5.039 6.914 1.00 8.00 C ATOM 103 O3' DT A 4 6.112 -5.049 8.183 1.00 8.00 O ATOM 104 C2' DT A 4 3.979 -5.215 6.956 1.00 8.00 C ATOM 105 C1' DT A 4 3.442 -3.800 6.837 1.00 8.00 C ATOM 106 N1 DT A 4 2.129 -3.889 6.173 1.00 8.00 N ATOM 107 C2 DT A 4 0.991 -3.924 6.959 1.00 8.00 C ATOM 108 O2 DT A 4 0.992 -3.766 8.172 1.00 8.00 O ATOM 109 N3 DT A 4 -0.189 -4.178 6.311 1.00 8.00 N ATOM 110 C4 DT A 4 -0.339 -4.366 4.960 1.00 8.00 C ATOM 111 O4 DT A 4 -1.464 -4.577 4.524 1.00 8.00 O ATOM 112 C5 DT A 4 0.894 -4.307 4.187 1.00 8.00 C ATOM 113 C7 DT A 4 0.856 -4.417 2.667 1.00 8.00 C ATOM 114 C6 DT A 4 2.073 -4.080 4.821 1.00 8.00 C ATOM 0 H5' DT A 4 5.929 -3.353 3.944 1.00 8.00 H new ATOM 0 H5'' DT A 4 7.016 -4.570 4.584 1.00 8.00 H new ATOM 0 H4' DT A 4 6.401 -3.132 6.430 1.00 8.00 H new ATOM 0 H3' DT A 4 6.038 -5.875 6.488 1.00 8.00 H new ATOM 0 H2' DT A 4 3.628 -5.846 6.139 1.00 8.00 H new ATOM 0 H2'' DT A 4 3.658 -5.687 7.884 1.00 8.00 H new ATOM 0 H1' DT A 4 3.321 -3.292 7.794 1.00 8.00 H new ATOM 0 H3 DT A 4 -1.031 -4.232 6.884 1.00 8.00 H new ATOM 0 H71 DT A 4 1.686 -3.854 2.241 1.00 8.00 H new ATOM 0 H72 DT A 4 0.941 -5.464 2.376 1.00 8.00 H new ATOM 0 H73 DT A 4 -0.086 -4.012 2.296 1.00 8.00 H new ATOM 0 H6 DT A 4 2.986 -4.050 4.245 1.00 8.00 H new ATOM 127 P DC A 5 6.059 -3.875 9.277 1.00 8.00 P ATOM 128 OP1 DC A 5 5.513 -4.399 10.541 1.00 8.00 O ATOM 129 OP2 DC A 5 5.516 -2.620 8.701 1.00 8.00 O ATOM 130 O5' DC A 5 7.619 -3.591 9.482 1.00 8.00 O ATOM 131 C5' DC A 5 8.042 -2.487 10.251 1.00 8.00 C ATOM 132 C4' DC A 5 9.337 -1.884 9.698 1.00 8.00 C ATOM 133 O4' DC A 5 10.459 -2.505 10.305 1.00 8.00 O ATOM 134 C3' DC A 5 9.513 -1.961 8.180 1.00 8.00 C ATOM 135 O3' DC A 5 9.951 -0.731 7.641 1.00 8.00 O ATOM 136 C2' DC A 5 10.572 -3.028 7.995 1.00 8.00 C ATOM 137 C1' DC A 5 11.341 -2.992 9.311 1.00 8.00 C ATOM 138 N1 DC A 5 11.740 -4.365 9.686 1.00 8.00 N ATOM 139 C2 DC A 5 13.083 -4.711 9.662 1.00 8.00 C ATOM 140 O2 DC A 5 13.935 -3.895 9.330 1.00 8.00 O ATOM 141 N3 DC A 5 13.447 -5.970 10.004 1.00 8.00 N ATOM 142 C4 DC A 5 12.524 -6.847 10.344 1.00 8.00 C ATOM 143 N4 DC A 5 12.947 -8.050 10.656 1.00 8.00 N ATOM 144 C5 DC A 5 11.136 -6.546 10.356 1.00 8.00 C ATOM 145 C6 DC A 5 10.788 -5.286 10.021 1.00 8.00 C ATOM 0 H5' DC A 5 8.196 -2.799 11.284 1.00 8.00 H new ATOM 0 H5'' DC A 5 7.260 -1.727 10.261 1.00 8.00 H new ATOM 0 H4' DC A 5 9.264 -0.824 9.942 1.00 8.00 H new ATOM 0 H3' DC A 5 8.577 -2.188 7.669 1.00 8.00 H new ATOM 0 H2' DC A 5 10.129 -4.007 7.815 1.00 8.00 H new ATOM 0 H2'' DC A 5 11.219 -2.810 7.145 1.00 8.00 H new ATOM 0 H1' DC A 5 12.227 -2.364 9.215 1.00 8.00 H new ATOM 0 H41 DC A 5 12.279 -8.771 10.927 1.00 8.00 H new ATOM 0 H42 DC A 5 13.944 -8.263 10.627 1.00 8.00 H new ATOM 0 H5 DC A 5 10.397 -7.288 10.620 1.00 8.00 H new ATOM 0 H6 DC A 5 9.746 -5.003 10.018 1.00 8.00 H new ATOM 157 P DA A 6 8.853 0.339 7.187 1.00 8.00 P ATOM 158 OP1 DA A 6 9.469 1.507 6.498 1.00 8.00 O ATOM 159 OP2 DA A 6 7.859 0.519 8.275 1.00 8.00 O ATOM 160 O5' DA A 6 8.071 -0.490 6.082 1.00 8.00 O ATOM 161 C5' DA A 6 8.735 -1.227 5.081 1.00 8.00 C ATOM 162 C4' DA A 6 8.145 -0.858 3.724 1.00 8.00 C ATOM 163 O4' DA A 6 6.754 -1.068 3.754 1.00 8.00 O ATOM 164 C3' DA A 6 8.370 0.615 3.410 1.00 8.00 C ATOM 165 O3' DA A 6 8.638 0.801 2.050 1.00 8.00 O ATOM 166 C2' DA A 6 7.077 1.316 3.808 1.00 8.00 C ATOM 167 C1' DA A 6 6.081 0.168 3.738 1.00 8.00 C ATOM 168 N9 DA A 6 5.128 0.176 4.853 1.00 8.00 N ATOM 169 C8 DA A 6 5.274 0.505 6.171 1.00 8.00 C ATOM 170 N7 DA A 6 4.238 0.250 6.925 1.00 8.00 N ATOM 171 C5 DA A 6 3.311 -0.235 5.993 1.00 8.00 C ATOM 172 C6 DA A 6 1.965 -0.638 6.029 1.00 8.00 C ATOM 173 N6 DA A 6 1.209 -0.689 7.116 1.00 8.00 N ATOM 174 N1 DA A 6 1.345 -0.954 4.895 1.00 8.00 N ATOM 175 C2 DA A 6 2.017 -0.916 3.758 1.00 8.00 C ATOM 176 N3 DA A 6 3.273 -0.596 3.577 1.00 8.00 N ATOM 177 C4 DA A 6 3.859 -0.275 4.743 1.00 8.00 C ATOM 0 H5' DA A 6 8.623 -2.296 5.263 1.00 8.00 H new ATOM 0 H5'' DA A 6 9.803 -1.011 5.099 1.00 8.00 H new ATOM 0 H4' DA A 6 8.631 -1.475 2.969 1.00 8.00 H new ATOM 0 H3' DA A 6 9.229 1.014 3.949 1.00 8.00 H new ATOM 0 H2' DA A 6 7.135 1.749 4.806 1.00 8.00 H new ATOM 0 H2'' DA A 6 6.821 2.125 3.124 1.00 8.00 H new ATOM 0 H1' DA A 6 5.531 0.303 2.807 1.00 8.00 H new ATOM 0 H8 DA A 6 6.180 0.944 6.561 1.00 8.00 H new ATOM 0 H61 DA A 6 0.238 -0.995 7.048 1.00 8.00 H new ATOM 0 H62 DA A 6 1.598 -0.422 8.020 1.00 8.00 H new ATOM 0 H2 DA A 6 1.462 -1.181 2.870 1.00 8.00 H new ATOM 189 P DT A 7 9.035 2.244 1.518 1.00 8.00 P ATOM 190 OP1 DT A 7 9.954 1.915 0.407 1.00 8.00 O ATOM 191 OP2 DT A 7 9.496 3.014 2.706 1.00 8.00 O ATOM 192 O5' DT A 7 7.626 2.789 0.972 1.00 8.00 O ATOM 193 C5' DT A 7 7.006 2.190 -0.157 1.00 8.00 C ATOM 194 C4' DT A 7 5.488 2.436 -0.215 1.00 8.00 C ATOM 195 O4' DT A 7 4.834 1.830 0.891 1.00 8.00 O ATOM 196 C3' DT A 7 5.075 3.914 -0.181 1.00 8.00 C ATOM 197 O3' DT A 7 4.704 4.409 -1.450 1.00 8.00 O ATOM 198 C2' DT A 7 3.831 3.889 0.703 1.00 8.00 C ATOM 199 C1' DT A 7 3.551 2.411 0.969 1.00 8.00 C ATOM 200 N1 DT A 7 2.993 2.284 2.330 1.00 8.00 N ATOM 201 C2 DT A 7 1.643 2.024 2.494 1.00 8.00 C ATOM 202 O2 DT A 7 0.890 1.729 1.580 1.00 8.00 O ATOM 203 N3 DT A 7 1.156 2.134 3.776 1.00 8.00 N ATOM 204 C4 DT A 7 1.856 2.581 4.871 1.00 8.00 C ATOM 205 O4 DT A 7 1.301 2.636 5.961 1.00 8.00 O ATOM 206 C5 DT A 7 3.228 2.958 4.599 1.00 8.00 C ATOM 207 C7 DT A 7 4.057 3.752 5.594 1.00 8.00 C ATOM 208 C6 DT A 7 3.735 2.762 3.366 1.00 8.00 C ATOM 0 H5' DT A 7 7.193 1.116 -0.140 1.00 8.00 H new ATOM 0 H5'' DT A 7 7.466 2.579 -1.065 1.00 8.00 H new ATOM 0 H4' DT A 7 5.194 2.006 -1.173 1.00 8.00 H new ATOM 0 H3' DT A 7 5.891 4.549 0.164 1.00 8.00 H new ATOM 0 H2' DT A 7 4.000 4.430 1.634 1.00 8.00 H new ATOM 0 H2'' DT A 7 2.986 4.365 0.206 1.00 8.00 H new ATOM 0 H1' DT A 7 2.843 1.946 0.283 1.00 8.00 H new ATOM 0 H3 DT A 7 0.186 1.858 3.928 1.00 8.00 H new ATOM 0 H71 DT A 7 5.109 3.487 5.485 1.00 8.00 H new ATOM 0 H72 DT A 7 3.930 4.818 5.405 1.00 8.00 H new ATOM 0 H73 DT A 7 3.728 3.522 6.607 1.00 8.00 H new ATOM 0 H6 DT A 7 4.775 2.994 3.192 1.00 8.00 H new ATOM 221 P DT A 8 5.701 5.332 -2.300 1.00 8.00 P ATOM 222 OP1 DT A 8 7.051 5.318 -1.702 1.00 8.00 O ATOM 223 OP2 DT A 8 5.135 6.694 -2.388 1.00 8.00 O ATOM 224 O5' DT A 8 5.794 4.723 -3.770 1.00 8.00 O ATOM 225 C5' DT A 8 6.537 3.550 -4.027 1.00 8.00 C ATOM 226 C4' DT A 8 6.093 2.820 -5.306 1.00 8.00 C ATOM 227 O4' DT A 8 4.734 2.435 -5.195 1.00 8.00 O ATOM 228 C3' DT A 8 6.172 3.659 -6.582 1.00 8.00 C ATOM 229 O3' DT A 8 6.333 2.695 -7.603 1.00 8.00 O ATOM 230 C2' DT A 8 4.784 4.279 -6.578 1.00 8.00 C ATOM 231 C1' DT A 8 3.959 3.082 -6.189 1.00 8.00 C ATOM 232 N1 DT A 8 2.678 3.545 -5.635 1.00 8.00 N ATOM 233 C2 DT A 8 1.561 3.559 -6.451 1.00 8.00 C ATOM 234 O2 DT A 8 1.580 3.265 -7.638 1.00 8.00 O ATOM 235 N3 DT A 8 0.382 3.934 -5.863 1.00 8.00 N ATOM 236 C4 DT A 8 0.212 4.240 -4.535 1.00 8.00 C ATOM 237 O4 DT A 8 -0.917 4.501 -4.135 1.00 8.00 O ATOM 238 C5 DT A 8 1.431 4.223 -3.737 1.00 8.00 C ATOM 239 C7 DT A 8 1.368 4.426 -2.230 1.00 8.00 C ATOM 240 C6 DT A 8 2.611 3.898 -4.321 1.00 8.00 C ATOM 0 H5' DT A 8 6.441 2.873 -3.178 1.00 8.00 H new ATOM 0 H5'' DT A 8 7.593 3.807 -4.111 1.00 8.00 H new ATOM 0 H4' DT A 8 6.784 1.981 -5.390 1.00 8.00 H new ATOM 0 H3' DT A 8 6.952 4.413 -6.687 1.00 8.00 H new ATOM 0 H2' DT A 8 4.695 5.096 -5.862 1.00 8.00 H new ATOM 0 H2'' DT A 8 4.504 4.678 -7.553 1.00 8.00 H new ATOM 0 H1' DT A 8 3.731 2.418 -7.022 1.00 8.00 H new ATOM 0 H3 DT A 8 -0.441 3.991 -6.463 1.00 8.00 H new ATOM 0 H71 DT A 8 0.519 5.063 -1.984 1.00 8.00 H new ATOM 0 H72 DT A 8 1.252 3.461 -1.737 1.00 8.00 H new ATOM 0 H73 DT A 8 2.288 4.900 -1.888 1.00 8.00 H new ATOM 0 H6 DT A 8 3.516 3.919 -3.732 1.00 8.00 H new TER 253 DT A 8 ATOM 254 P DC B 1 -7.583 -5.973 -7.719 1.00 8.00 P ATOM 255 OP1 DC B 1 -8.190 -7.140 -7.044 1.00 8.00 O ATOM 256 OP2 DC B 1 -7.157 -6.286 -9.099 1.00 8.00 O ATOM 257 O5' DC B 1 -8.643 -4.787 -7.759 1.00 8.00 O ATOM 258 C5' DC B 1 -8.414 -3.627 -8.538 1.00 8.00 C ATOM 259 C4' DC B 1 -9.652 -2.723 -8.507 1.00 8.00 C ATOM 260 O4' DC B 1 -10.738 -3.348 -9.178 1.00 8.00 O ATOM 261 C3' DC B 1 -10.098 -2.472 -7.067 1.00 8.00 C ATOM 262 O3' DC B 1 -10.501 -1.140 -6.824 1.00 8.00 O ATOM 263 C2' DC B 1 -11.290 -3.379 -6.893 1.00 8.00 C ATOM 264 C1' DC B 1 -11.854 -3.398 -8.309 1.00 8.00 C ATOM 265 N1 DC B 1 -12.562 -4.670 -8.564 1.00 8.00 N ATOM 266 C2 DC B 1 -13.911 -4.644 -8.881 1.00 8.00 C ATOM 267 O2 DC B 1 -14.536 -3.589 -8.894 1.00 8.00 O ATOM 268 N3 DC B 1 -14.544 -5.805 -9.174 1.00 8.00 N ATOM 269 C4 DC B 1 -13.869 -6.937 -9.152 1.00 8.00 C ATOM 270 N4 DC B 1 -14.549 -8.019 -9.455 1.00 8.00 N ATOM 271 C5 DC B 1 -12.489 -7.016 -8.823 1.00 8.00 C ATOM 272 C6 DC B 1 -11.872 -5.849 -8.538 1.00 8.00 C ATOM 0 H5' DC B 1 -8.184 -3.908 -9.566 1.00 8.00 H new ATOM 0 H5'' DC B 1 -7.549 -3.086 -8.155 1.00 8.00 H new ATOM 0 H4' DC B 1 -9.383 -1.786 -8.994 1.00 8.00 H new ATOM 0 H3' DC B 1 -9.274 -2.658 -6.378 1.00 8.00 H new ATOM 0 H2' DC B 1 -11.004 -4.373 -6.550 1.00 8.00 H new ATOM 0 H2'' DC B 1 -12.005 -2.986 -6.170 1.00 8.00 H new ATOM 0 H1' DC B 1 -12.547 -2.569 -8.454 1.00 8.00 H new ATOM 0 H41 DC B 1 -14.087 -8.928 -9.457 1.00 8.00 H new ATOM 0 H42 DC B 1 -15.540 -7.950 -9.688 1.00 8.00 H new ATOM 0 H5 DC B 1 -11.962 -7.958 -8.802 1.00 8.00 H new ATOM 0 H6 DC B 1 -10.822 -5.848 -8.287 1.00 8.00 H new ATOM 284 P DA B 2 -9.397 -0.023 -6.527 1.00 8.00 P ATOM 285 OP1 DA B 2 -10.036 1.193 -5.959 1.00 8.00 O ATOM 286 OP2 DA B 2 -8.508 0.115 -7.693 1.00 8.00 O ATOM 287 O5' DA B 2 -8.557 -0.727 -5.354 1.00 8.00 O ATOM 288 C5' DA B 2 -9.168 -1.227 -4.177 1.00 8.00 C ATOM 289 C4' DA B 2 -8.506 -0.609 -2.946 1.00 8.00 C ATOM 290 O4' DA B 2 -7.169 -1.051 -2.897 1.00 8.00 O ATOM 291 C3' DA B 2 -8.493 0.915 -3.046 1.00 8.00 C ATOM 292 O3' DA B 2 -8.773 1.536 -1.814 1.00 8.00 O ATOM 293 C2' DA B 2 -7.110 1.248 -3.607 1.00 8.00 C ATOM 294 C1' DA B 2 -6.306 0.006 -3.250 1.00 8.00 C ATOM 295 N9 DA B 2 -5.383 -0.408 -4.321 1.00 8.00 N ATOM 296 C8 DA B 2 -5.496 -0.400 -5.692 1.00 8.00 C ATOM 297 N7 DA B 2 -4.427 -0.813 -6.320 1.00 8.00 N ATOM 298 C5 DA B 2 -3.557 -1.132 -5.278 1.00 8.00 C ATOM 299 C6 DA B 2 -2.245 -1.617 -5.197 1.00 8.00 C ATOM 300 N6 DA B 2 -1.499 -1.943 -6.240 1.00 8.00 N ATOM 301 N1 DA B 2 -1.665 -1.747 -4.007 1.00 8.00 N ATOM 302 C2 DA B 2 -2.352 -1.436 -2.919 1.00 8.00 C ATOM 303 N3 DA B 2 -3.587 -1.001 -2.845 1.00 8.00 N ATOM 304 C4 DA B 2 -4.138 -0.887 -4.070 1.00 8.00 C ATOM 0 H5' DA B 2 -9.078 -2.313 -4.143 1.00 8.00 H new ATOM 0 H5'' DA B 2 -10.233 -0.996 -4.183 1.00 8.00 H new ATOM 0 H4' DA B 2 -9.063 -0.906 -2.057 1.00 8.00 H new ATOM 0 H3' DA B 2 -9.281 1.298 -3.695 1.00 8.00 H new ATOM 0 H2' DA B 2 -7.138 1.418 -4.683 1.00 8.00 H new ATOM 0 H2'' DA B 2 -6.693 2.147 -3.153 1.00 8.00 H new ATOM 0 H1' DA B 2 -5.686 0.265 -2.392 1.00 8.00 H new ATOM 0 H8 DA B 2 -6.391 -0.080 -6.205 1.00 8.00 H new ATOM 0 H61 DA B 2 -0.550 -2.290 -6.100 1.00 8.00 H new ATOM 0 H62 DA B 2 -1.873 -1.847 -7.184 1.00 8.00 H new ATOM 0 H2 DA B 2 -1.833 -1.555 -1.979 1.00 8.00 H new ATOM 316 P DT B 3 -8.740 3.119 -1.709 1.00 8.00 P ATOM 317 OP1 DT B 3 -9.571 3.471 -0.529 1.00 8.00 O ATOM 318 OP2 DT B 3 -9.058 3.681 -3.043 1.00 8.00 O ATOM 319 O5' DT B 3 -7.237 3.425 -1.295 1.00 8.00 O ATOM 320 C5' DT B 3 -6.678 2.813 -0.139 1.00 8.00 C ATOM 321 C4' DT B 3 -5.155 2.952 -0.093 1.00 8.00 C ATOM 322 O4' DT B 3 -4.570 2.067 -1.031 1.00 8.00 O ATOM 323 C3' DT B 3 -4.638 4.348 -0.459 1.00 8.00 C ATOM 324 O3' DT B 3 -4.269 5.089 0.682 1.00 8.00 O ATOM 325 C2' DT B 3 -3.410 4.031 -1.308 1.00 8.00 C ATOM 326 C1' DT B 3 -3.253 2.513 -1.247 1.00 8.00 C ATOM 327 N1 DT B 3 -2.757 2.037 -2.549 1.00 8.00 N ATOM 328 C2 DT B 3 -1.440 1.636 -2.665 1.00 8.00 C ATOM 329 O2 DT B 3 -0.679 1.523 -1.716 1.00 8.00 O ATOM 330 N3 DT B 3 -0.998 1.390 -3.938 1.00 8.00 N ATOM 331 C4 DT B 3 -1.685 1.626 -5.102 1.00 8.00 C ATOM 332 O4 DT B 3 -1.136 1.402 -6.174 1.00 8.00 O ATOM 333 C5 DT B 3 -3.021 2.157 -4.906 1.00 8.00 C ATOM 334 C7 DT B 3 -3.836 2.753 -6.039 1.00 8.00 C ATOM 335 C6 DT B 3 -3.499 2.311 -3.656 1.00 8.00 C ATOM 0 H5' DT B 3 -6.946 1.756 -0.123 1.00 8.00 H new ATOM 0 H5'' DT B 3 -7.110 3.264 0.754 1.00 8.00 H new ATOM 0 H4' DT B 3 -4.883 2.736 0.940 1.00 8.00 H new ATOM 0 H3' DT B 3 -5.387 4.957 -0.965 1.00 8.00 H new ATOM 0 H2' DT B 3 -3.544 4.371 -2.335 1.00 8.00 H new ATOM 0 H2'' DT B 3 -2.524 4.533 -0.920 1.00 8.00 H new ATOM 0 H1' DT B 3 -2.558 2.163 -0.484 1.00 8.00 H new ATOM 0 H3 DT B 3 -0.064 0.991 -4.030 1.00 8.00 H new ATOM 0 H71 DT B 3 -4.897 2.596 -5.845 1.00 8.00 H new ATOM 0 H72 DT B 3 -3.634 3.822 -6.110 1.00 8.00 H new ATOM 0 H73 DT B 3 -3.563 2.269 -6.977 1.00 8.00 H new ATOM 0 H6 DT B 3 -4.511 2.666 -3.528 1.00 8.00 H new ATOM 348 P DT B 4 -5.306 6.109 1.361 1.00 8.00 P ATOM 349 OP1 DT B 4 -6.675 5.841 0.858 1.00 8.00 O ATOM 350 OP2 DT B 4 -4.708 7.451 1.184 1.00 8.00 O ATOM 351 O5' DT B 4 -5.273 5.743 2.913 1.00 8.00 O ATOM 352 C5' DT B 4 -6.127 4.765 3.468 1.00 8.00 C ATOM 353 C4' DT B 4 -5.689 4.309 4.870 1.00 8.00 C ATOM 354 O4' DT B 4 -4.386 3.767 4.794 1.00 8.00 O ATOM 355 C3' DT B 4 -5.614 5.423 5.918 1.00 8.00 C ATOM 356 O3' DT B 4 -5.807 4.740 7.144 1.00 8.00 O ATOM 357 C2' DT B 4 -4.184 5.880 5.697 1.00 8.00 C ATOM 358 C1' DT B 4 -3.517 4.536 5.597 1.00 8.00 C ATOM 359 N1 DT B 4 -2.219 4.750 4.962 1.00 8.00 N ATOM 360 C2 DT B 4 -1.143 5.044 5.774 1.00 8.00 C ATOM 361 O2 DT B 4 -1.246 5.181 6.995 1.00 8.00 O ATOM 362 N3 DT B 4 0.054 5.235 5.136 1.00 8.00 N ATOM 363 C4 DT B 4 0.252 5.166 3.774 1.00 8.00 C ATOM 364 O4 DT B 4 1.394 5.285 3.349 1.00 8.00 O ATOM 365 C5 DT B 4 -0.956 4.979 2.980 1.00 8.00 C ATOM 366 C7 DT B 4 -0.884 4.875 1.462 1.00 8.00 C ATOM 367 C6 DT B 4 -2.145 4.793 3.604 1.00 8.00 C ATOM 0 H5' DT B 4 -6.160 3.901 2.805 1.00 8.00 H new ATOM 0 H5'' DT B 4 -7.140 5.164 3.522 1.00 8.00 H new ATOM 0 H4' DT B 4 -6.452 3.596 5.183 1.00 8.00 H new ATOM 0 H3' DT B 4 -6.312 6.260 5.885 1.00 8.00 H new ATOM 0 H2' DT B 4 -4.068 6.475 4.791 1.00 8.00 H new ATOM 0 H2'' DT B 4 -3.801 6.479 6.523 1.00 8.00 H new ATOM 0 H1' DT B 4 -3.344 4.033 6.548 1.00 8.00 H new ATOM 0 H3 DT B 4 0.866 5.446 5.717 1.00 8.00 H new ATOM 0 H71 DT B 4 -1.696 4.244 1.102 1.00 8.00 H new ATOM 0 H72 DT B 4 -0.975 5.869 1.024 1.00 8.00 H new ATOM 0 H73 DT B 4 0.071 4.437 1.172 1.00 8.00 H new ATOM 0 H6 DT B 4 -3.044 4.678 3.017 1.00 8.00 H new ATOM 380 P DC B 5 -5.333 5.256 8.572 1.00 8.00 P ATOM 381 OP1 DC B 5 -4.747 6.606 8.509 1.00 8.00 O ATOM 382 OP2 DC B 5 -4.413 4.200 9.054 1.00 8.00 O ATOM 383 O5' DC B 5 -6.657 5.232 9.442 1.00 8.00 O ATOM 384 C5' DC B 5 -7.820 5.908 9.012 1.00 8.00 C ATOM 385 C4' DC B 5 -8.979 4.907 8.895 1.00 8.00 C ATOM 386 O4' DC B 5 -10.183 5.556 9.286 1.00 8.00 O ATOM 387 C3' DC B 5 -9.222 4.359 7.487 1.00 8.00 C ATOM 388 O3' DC B 5 -9.722 3.049 7.542 1.00 8.00 O ATOM 389 C2' DC B 5 -10.369 5.194 6.971 1.00 8.00 C ATOM 390 C1' DC B 5 -11.149 5.411 8.263 1.00 8.00 C ATOM 391 N1 DC B 5 -11.933 6.658 8.170 1.00 8.00 N ATOM 392 C2 DC B 5 -13.314 6.602 8.266 1.00 8.00 C ATOM 393 O2 DC B 5 -13.891 5.530 8.418 1.00 8.00 O ATOM 394 N3 DC B 5 -14.029 7.749 8.178 1.00 8.00 N ATOM 395 C4 DC B 5 -13.401 8.896 8.004 1.00 8.00 C ATOM 396 N4 DC B 5 -14.160 9.965 7.919 1.00 8.00 N ATOM 397 C5 DC B 5 -11.988 8.998 7.885 1.00 8.00 C ATOM 398 C6 DC B 5 -11.291 7.846 7.979 1.00 8.00 C ATOM 0 H5' DC B 5 -7.640 6.387 8.050 1.00 8.00 H new ATOM 0 H5'' DC B 5 -8.077 6.698 9.718 1.00 8.00 H new ATOM 0 H4' DC B 5 -8.699 4.068 9.532 1.00 8.00 H new ATOM 0 H3' DC B 5 -8.306 4.380 6.896 1.00 8.00 H new ATOM 0 H2' DC B 5 -10.034 6.131 6.525 1.00 8.00 H new ATOM 0 H2'' DC B 5 -10.955 4.673 6.214 1.00 8.00 H new ATOM 0 H1' DC B 5 -11.831 4.583 8.455 1.00 8.00 H new ATOM 0 H41 DC B 5 -13.735 10.883 7.784 1.00 8.00 H new ATOM 0 H42 DC B 5 -15.174 9.877 7.988 1.00 8.00 H new ATOM 0 H5 DC B 5 -11.498 9.947 7.728 1.00 8.00 H new ATOM 0 H6 DC B 5 -10.214 7.865 7.902 1.00 8.00 H new ATOM 410 P DA B 6 -8.749 1.798 7.518 1.00 8.00 P ATOM 411 OP1 DA B 6 -9.564 0.589 7.784 1.00 8.00 O ATOM 412 OP2 DA B 6 -7.551 2.069 8.348 1.00 8.00 O ATOM 413 O5' DA B 6 -8.263 1.749 6.000 1.00 8.00 O ATOM 414 C5' DA B 6 -9.154 1.830 4.913 1.00 8.00 C ATOM 415 C4' DA B 6 -8.661 0.961 3.751 1.00 8.00 C ATOM 416 O4' DA B 6 -7.328 1.330 3.446 1.00 8.00 O ATOM 417 C3' DA B 6 -8.687 -0.541 4.082 1.00 8.00 C ATOM 418 O3' DA B 6 -9.346 -1.408 3.173 1.00 8.00 O ATOM 419 C2' DA B 6 -7.232 -0.928 4.299 1.00 8.00 C ATOM 420 C1' DA B 6 -6.443 0.268 3.758 1.00 8.00 C ATOM 421 N9 DA B 6 -5.414 0.687 4.733 1.00 8.00 N ATOM 422 C8 DA B 6 -5.481 0.802 6.100 1.00 8.00 C ATOM 423 N7 DA B 6 -4.364 1.122 6.693 1.00 8.00 N ATOM 424 C5 DA B 6 -3.484 1.223 5.611 1.00 8.00 C ATOM 425 C6 DA B 6 -2.127 1.550 5.482 1.00 8.00 C ATOM 426 N6 DA B 6 -1.345 1.795 6.518 1.00 8.00 N ATOM 427 N1 DA B 6 -1.567 1.639 4.276 1.00 8.00 N ATOM 428 C2 DA B 6 -2.320 1.390 3.214 1.00 8.00 C ATOM 429 N3 DA B 6 -3.593 1.052 3.183 1.00 8.00 N ATOM 430 C4 DA B 6 -4.122 0.997 4.423 1.00 8.00 C ATOM 0 H5' DA B 6 -9.246 2.866 4.587 1.00 8.00 H new ATOM 0 H5'' DA B 6 -10.147 1.504 5.223 1.00 8.00 H new ATOM 0 H4' DA B 6 -9.331 1.127 2.908 1.00 8.00 H new ATOM 0 H3' DA B 6 -9.315 -0.678 4.962 1.00 8.00 H new ATOM 0 H2' DA B 6 -7.019 -1.102 5.354 1.00 8.00 H new ATOM 0 H2'' DA B 6 -6.980 -1.845 3.767 1.00 8.00 H new ATOM 0 H1' DA B 6 -5.930 -0.023 2.841 1.00 8.00 H new ATOM 0 H8 DA B 6 -6.397 0.638 6.648 1.00 8.00 H new ATOM 0 H61 DA B 6 -0.363 2.029 6.372 1.00 8.00 H new ATOM 0 H62 DA B 6 -1.723 1.750 7.464 1.00 8.00 H new ATOM 0 H2 DA B 6 -1.829 1.475 2.256 1.00 8.00 H new ATOM 442 P DT B 7 -9.011 -1.519 1.604 1.00 8.00 P ATOM 443 OP1 DT B 7 -9.248 -0.197 0.983 1.00 8.00 O ATOM 444 OP2 DT B 7 -9.756 -2.685 1.077 1.00 8.00 O ATOM 445 O5' DT B 7 -7.463 -1.896 1.469 1.00 8.00 O ATOM 446 C5' DT B 7 -6.798 -1.789 0.225 1.00 8.00 C ATOM 447 C4' DT B 7 -5.347 -2.278 0.300 1.00 8.00 C ATOM 448 O4' DT B 7 -4.632 -1.561 1.289 1.00 8.00 O ATOM 449 C3' DT B 7 -5.191 -3.759 0.669 1.00 8.00 C ATOM 450 O3' DT B 7 -4.913 -4.542 -0.469 1.00 8.00 O ATOM 451 C2' DT B 7 -3.962 -3.772 1.577 1.00 8.00 C ATOM 452 C1' DT B 7 -3.487 -2.319 1.598 1.00 8.00 C ATOM 453 N1 DT B 7 -3.028 -1.990 2.959 1.00 8.00 N ATOM 454 C2 DT B 7 -1.707 -1.655 3.153 1.00 8.00 C ATOM 455 O2 DT B 7 -0.899 -1.510 2.250 1.00 8.00 O ATOM 456 N3 DT B 7 -1.325 -1.471 4.455 1.00 8.00 N ATOM 457 C4 DT B 7 -2.073 -1.704 5.576 1.00 8.00 C ATOM 458 O4 DT B 7 -1.562 -1.518 6.677 1.00 8.00 O ATOM 459 C5 DT B 7 -3.430 -2.137 5.300 1.00 8.00 C ATOM 460 C7 DT B 7 -4.346 -2.674 6.381 1.00 8.00 C ATOM 461 C6 DT B 7 -3.851 -2.230 4.021 1.00 8.00 C ATOM 0 H5' DT B 7 -6.813 -0.750 -0.105 1.00 8.00 H new ATOM 0 H5'' DT B 7 -7.337 -2.369 -0.524 1.00 8.00 H new ATOM 0 H4' DT B 7 -4.963 -2.120 -0.708 1.00 8.00 H new ATOM 0 H3' DT B 7 -6.095 -4.162 1.125 1.00 8.00 H new ATOM 0 H2' DT B 7 -4.212 -4.122 2.578 1.00 8.00 H new ATOM 0 H2'' DT B 7 -3.190 -4.437 1.190 1.00 8.00 H new ATOM 0 H1' DT B 7 -2.669 -2.129 0.903 1.00 8.00 H new ATOM 0 H3 DT B 7 -0.379 -1.122 4.605 1.00 8.00 H new ATOM 0 H71 DT B 7 -5.381 -2.442 6.130 1.00 8.00 H new ATOM 0 H72 DT B 7 -4.225 -3.755 6.457 1.00 8.00 H new ATOM 0 H73 DT B 7 -4.092 -2.213 7.335 1.00 8.00 H new ATOM 0 H6 DT B 7 -4.878 -2.505 3.831 1.00 8.00 H new ATOM 474 P DT B 8 -5.971 -5.621 -1.004 1.00 8.00 P ATOM 475 OP1 DT B 8 -7.329 -5.209 -0.569 1.00 8.00 O ATOM 476 OP2 DT B 8 -5.473 -6.964 -0.655 1.00 8.00 O ATOM 477 O5' DT B 8 -5.902 -5.446 -2.593 1.00 8.00 O ATOM 478 C5' DT B 8 -6.668 -4.467 -3.264 1.00 8.00 C ATOM 479 C4' DT B 8 -6.266 -4.297 -4.744 1.00 8.00 C ATOM 480 O4' DT B 8 -4.962 -3.731 -4.815 1.00 8.00 O ATOM 481 C3' DT B 8 -6.207 -5.639 -5.491 1.00 8.00 C ATOM 482 O3' DT B 8 -6.312 -5.483 -6.892 1.00 8.00 O ATOM 483 C2' DT B 8 -4.755 -6.012 -5.270 1.00 8.00 C ATOM 484 C1' DT B 8 -4.086 -4.661 -5.427 1.00 8.00 C ATOM 485 N1 DT B 8 -2.792 -4.732 -4.729 1.00 8.00 N ATOM 486 C2 DT B 8 -1.654 -5.006 -5.467 1.00 8.00 C ATOM 487 O2 DT B 8 -1.647 -5.141 -6.684 1.00 8.00 O ATOM 488 N3 DT B 8 -0.487 -5.140 -4.765 1.00 8.00 N ATOM 489 C4 DT B 8 -0.354 -5.022 -3.404 1.00 8.00 C ATOM 490 O4 DT B 8 0.761 -5.159 -2.912 1.00 8.00 O ATOM 491 C5 DT B 8 -1.589 -4.750 -2.685 1.00 8.00 C ATOM 492 C7 DT B 8 -1.559 -4.523 -1.180 1.00 8.00 C ATOM 493 C6 DT B 8 -2.757 -4.632 -3.368 1.00 8.00 C ATOM 0 H5' DT B 8 -6.557 -3.512 -2.751 1.00 8.00 H new ATOM 0 H5'' DT B 8 -7.722 -4.738 -3.208 1.00 8.00 H new ATOM 0 H4' DT B 8 -7.021 -3.660 -5.204 1.00 8.00 H new ATOM 0 H3' DT B 8 -6.989 -6.321 -5.159 1.00 8.00 H new ATOM 0 H2' DT B 8 -4.585 -6.445 -4.284 1.00 8.00 H new ATOM 0 H2'' DT B 8 -4.399 -6.737 -6.002 1.00 8.00 H new ATOM 0 H1' DT B 8 -3.901 -4.371 -6.461 1.00 8.00 H new ATOM 0 H3 DT B 8 0.357 -5.345 -5.299 1.00 8.00 H new ATOM 0 H71 DT B 8 -2.368 -3.850 -0.897 1.00 8.00 H new ATOM 0 H72 DT B 8 -1.684 -5.476 -0.666 1.00 8.00 H new ATOM 0 H73 DT B 8 -0.604 -4.081 -0.898 1.00 8.00 H new ATOM 0 H6 DT B 8 -3.674 -4.456 -2.825 1.00 8.00 H new TER 506 DT B 8