USER MOD reduce.3.24.130724 H: found=0, std=0, add=184, rem=0, adj=0 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= -0.211 (180deg=-0.211) USER MOD Single : A 7 DT C7 :methyl 150:sc=-0.00851 (180deg=-0.00851) USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.0324 (180deg=-0.0324) USER MOD Single : B 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.37 (180deg=-0.37) USER MOD Single : B 7 DT C7 :methyl 150:sc= -0.713 (180deg=-0.713) USER MOD Single : B 8 DT C7 :methyl 150:sc= -0.403 (180deg=-0.403) USER MOD ----------------------------------------------------------------- ATOM 1 P DC A 1 6.444 2.496 -9.013 1.00 8.00 P ATOM 2 OP1 DC A 1 5.776 1.260 -9.478 1.00 8.00 O ATOM 3 OP2 DC A 1 5.816 3.789 -9.369 1.00 8.00 O ATOM 4 O5' DC A 1 8.014 2.439 -9.342 1.00 8.00 O ATOM 5 C5' DC A 1 8.633 1.208 -9.687 1.00 8.00 C ATOM 6 C4' DC A 1 9.885 0.836 -8.880 1.00 8.00 C ATOM 7 O4' DC A 1 11.033 1.436 -9.449 1.00 8.00 O ATOM 8 C3' DC A 1 9.915 1.083 -7.371 1.00 8.00 C ATOM 9 O3' DC A 1 10.231 -0.121 -6.696 1.00 8.00 O ATOM 10 C2' DC A 1 11.071 2.047 -7.186 1.00 8.00 C ATOM 11 C1' DC A 1 11.931 1.783 -8.416 1.00 8.00 C ATOM 12 N1 DC A 1 12.601 3.030 -8.828 1.00 8.00 N ATOM 13 C2 DC A 1 13.977 3.132 -8.704 1.00 8.00 C ATOM 14 O2 DC A 1 14.633 2.215 -8.222 1.00 8.00 O ATOM 15 N3 DC A 1 14.594 4.265 -9.115 1.00 8.00 N ATOM 16 C4 DC A 1 13.878 5.251 -9.615 1.00 8.00 C ATOM 17 N4 DC A 1 14.548 6.313 -9.997 1.00 8.00 N ATOM 18 C5 DC A 1 12.461 5.202 -9.734 1.00 8.00 C ATOM 19 C6 DC A 1 11.860 4.064 -9.327 1.00 8.00 C ATOM 0 H5' DC A 1 8.902 1.243 -10.743 1.00 8.00 H new ATOM 0 H5'' DC A 1 7.900 0.410 -9.571 1.00 8.00 H new ATOM 0 H4' DC A 1 9.865 -0.251 -8.957 1.00 8.00 H new ATOM 0 H3' DC A 1 8.964 1.453 -6.989 1.00 8.00 H new ATOM 0 H2' DC A 1 10.732 3.082 -7.144 1.00 8.00 H new ATOM 0 H2'' DC A 1 11.616 1.853 -6.262 1.00 8.00 H new ATOM 0 H1' DC A 1 12.674 1.012 -8.213 1.00 8.00 H new ATOM 0 H41 DC A 1 14.054 7.113 -10.393 1.00 8.00 H new ATOM 0 H42 DC A 1 15.563 6.339 -9.898 1.00 8.00 H new ATOM 0 H5 DC A 1 11.895 6.033 -10.130 1.00 8.00 H new ATOM 0 H6 DC A 1 10.786 3.970 -9.396 1.00 8.00 H new ATOM 31 P DA A 2 9.058 -1.126 -6.297 1.00 8.00 P ATOM 32 OP1 DA A 2 9.565 -2.381 -5.672 1.00 8.00 O ATOM 33 OP2 DA A 2 8.050 -1.172 -7.389 1.00 8.00 O ATOM 34 O5' DA A 2 8.408 -0.268 -5.136 1.00 8.00 O ATOM 35 C5' DA A 2 9.169 0.228 -4.053 1.00 8.00 C ATOM 36 C4' DA A 2 8.443 -0.142 -2.759 1.00 8.00 C ATOM 37 O4' DA A 2 7.093 0.272 -2.866 1.00 8.00 O ATOM 38 C3' DA A 2 8.448 -1.658 -2.580 1.00 8.00 C ATOM 39 O3' DA A 2 8.720 -2.029 -1.256 1.00 8.00 O ATOM 40 C2' DA A 2 7.076 -2.118 -3.071 1.00 8.00 C ATOM 41 C1' DA A 2 6.243 -0.852 -2.945 1.00 8.00 C ATOM 42 N9 DA A 2 5.293 -0.723 -4.061 1.00 8.00 N ATOM 43 C8 DA A 2 5.426 -1.003 -5.394 1.00 8.00 C ATOM 44 N7 DA A 2 4.380 -0.740 -6.132 1.00 8.00 N ATOM 45 C5 DA A 2 3.471 -0.262 -5.178 1.00 8.00 C ATOM 46 C6 DA A 2 2.153 0.223 -5.208 1.00 8.00 C ATOM 47 N6 DA A 2 1.403 0.303 -6.294 1.00 8.00 N ATOM 48 N1 DA A 2 1.577 0.646 -4.086 1.00 8.00 N ATOM 49 C2 DA A 2 2.258 0.590 -2.954 1.00 8.00 C ATOM 50 N3 DA A 2 3.480 0.153 -2.770 1.00 8.00 N ATOM 51 C4 DA A 2 4.034 -0.240 -3.932 1.00 8.00 C ATOM 0 H5' DA A 2 9.283 1.309 -4.131 1.00 8.00 H new ATOM 0 H5'' DA A 2 10.171 -0.200 -4.064 1.00 8.00 H new ATOM 0 H4' DA A 2 8.941 0.338 -1.917 1.00 8.00 H new ATOM 0 H3' DA A 2 9.243 -2.139 -3.149 1.00 8.00 H new ATOM 0 H2' DA A 2 7.113 -2.480 -4.099 1.00 8.00 H new ATOM 0 H2'' DA A 2 6.677 -2.929 -2.462 1.00 8.00 H new ATOM 0 H1' DA A 2 5.655 -0.912 -2.029 1.00 8.00 H new ATOM 0 H8 DA A 2 6.335 -1.414 -5.808 1.00 8.00 H new ATOM 0 H61 DA A 2 0.453 0.668 -6.232 1.00 8.00 H new ATOM 0 H62 DA A 2 1.775 -0.000 -7.194 1.00 8.00 H new ATOM 0 H2 DA A 2 1.745 0.948 -2.074 1.00 8.00 H new ATOM 63 P DT A 3 8.711 -3.563 -0.876 1.00 8.00 P ATOM 64 OP1 DT A 3 9.524 -3.677 0.362 1.00 8.00 O ATOM 65 OP2 DT A 3 9.050 -4.336 -2.098 1.00 8.00 O ATOM 66 O5' DT A 3 7.200 -3.793 -0.429 1.00 8.00 O ATOM 67 C5' DT A 3 6.615 -2.951 0.561 1.00 8.00 C ATOM 68 C4' DT A 3 5.091 -3.085 0.628 1.00 8.00 C ATOM 69 O4' DT A 3 4.498 -2.434 -0.479 1.00 8.00 O ATOM 70 C3' DT A 3 4.584 -4.531 0.588 1.00 8.00 C ATOM 71 O3' DT A 3 4.219 -4.981 1.875 1.00 8.00 O ATOM 72 C2' DT A 3 3.349 -4.415 -0.305 1.00 8.00 C ATOM 73 C1' DT A 3 3.182 -2.924 -0.590 1.00 8.00 C ATOM 74 N1 DT A 3 2.706 -2.764 -1.974 1.00 8.00 N ATOM 75 C2 DT A 3 1.404 -2.378 -2.215 1.00 8.00 C ATOM 76 O2 DT A 3 0.628 -2.024 -1.341 1.00 8.00 O ATOM 77 N3 DT A 3 1.004 -2.416 -3.527 1.00 8.00 N ATOM 78 C4 DT A 3 1.703 -2.934 -4.584 1.00 8.00 C ATOM 79 O4 DT A 3 1.178 -2.949 -5.694 1.00 8.00 O ATOM 80 C5 DT A 3 3.035 -3.397 -4.239 1.00 8.00 C ATOM 81 C7 DT A 3 3.904 -4.195 -5.189 1.00 8.00 C ATOM 82 C6 DT A 3 3.477 -3.266 -2.973 1.00 8.00 C ATOM 0 H5' DT A 3 6.875 -1.914 0.349 1.00 8.00 H new ATOM 0 H5'' DT A 3 7.040 -3.194 1.535 1.00 8.00 H new ATOM 0 H4' DT A 3 4.816 -2.641 1.585 1.00 8.00 H new ATOM 0 H3' DT A 3 5.330 -5.241 0.230 1.00 8.00 H new ATOM 0 H2' DT A 3 3.480 -4.978 -1.229 1.00 8.00 H new ATOM 0 H2'' DT A 3 2.467 -4.820 0.192 1.00 8.00 H new ATOM 0 H1' DT A 3 2.478 -2.416 0.069 1.00 8.00 H new ATOM 0 H3 DT A 3 0.089 -2.016 -3.737 1.00 8.00 H new ATOM 0 H71 DT A 3 4.954 -3.984 -4.986 1.00 8.00 H new ATOM 0 H72 DT A 3 3.714 -5.259 -5.049 1.00 8.00 H new ATOM 0 H73 DT A 3 3.670 -3.917 -6.217 1.00 8.00 H new ATOM 0 H6 DT A 3 4.487 -3.573 -2.743 1.00 8.00 H new ATOM 95 P DT A 4 5.265 -5.781 2.796 1.00 8.00 P ATOM 96 OP1 DT A 4 6.633 -5.631 2.244 1.00 8.00 O ATOM 97 OP2 DT A 4 4.697 -7.137 2.980 1.00 8.00 O ATOM 98 O5' DT A 4 5.222 -5.043 4.213 1.00 8.00 O ATOM 99 C5' DT A 4 6.055 -3.940 4.513 1.00 8.00 C ATOM 100 C4' DT A 4 5.622 -3.182 5.781 1.00 8.00 C ATOM 101 O4' DT A 4 4.307 -2.681 5.618 1.00 8.00 O ATOM 102 C3' DT A 4 5.584 -4.045 7.041 1.00 8.00 C ATOM 103 O3' DT A 4 5.800 -3.127 8.092 1.00 8.00 O ATOM 104 C2' DT A 4 4.148 -4.538 6.980 1.00 8.00 C ATOM 105 C1' DT A 4 3.442 -3.270 6.575 1.00 8.00 C ATOM 106 N1 DT A 4 2.155 -3.642 5.975 1.00 8.00 N ATOM 107 C2 DT A 4 1.028 -3.673 6.776 1.00 8.00 C ATOM 108 O2 DT A 4 1.028 -3.375 7.962 1.00 8.00 O ATOM 109 N3 DT A 4 -0.134 -4.076 6.174 1.00 8.00 N ATOM 110 C4 DT A 4 -0.285 -4.371 4.842 1.00 8.00 C ATOM 111 O4 DT A 4 -1.408 -4.633 4.427 1.00 8.00 O ATOM 112 C5 DT A 4 0.944 -4.344 4.061 1.00 8.00 C ATOM 113 C7 DT A 4 0.913 -4.581 2.559 1.00 8.00 C ATOM 114 C6 DT A 4 2.111 -3.999 4.661 1.00 8.00 C ATOM 0 H5' DT A 4 6.054 -3.252 3.668 1.00 8.00 H new ATOM 0 H5'' DT A 4 7.080 -4.290 4.638 1.00 8.00 H new ATOM 0 H4' DT A 4 6.370 -2.399 5.908 1.00 8.00 H new ATOM 0 H3' DT A 4 6.292 -4.866 7.152 1.00 8.00 H new ATOM 0 H2' DT A 4 4.014 -5.338 6.252 1.00 8.00 H new ATOM 0 H2'' DT A 4 3.799 -4.919 7.940 1.00 8.00 H new ATOM 0 H1' DT A 4 3.238 -2.584 7.397 1.00 8.00 H new ATOM 0 H3 DT A 4 -0.959 -4.165 6.767 1.00 8.00 H new ATOM 0 H71 DT A 4 1.728 -4.032 2.087 1.00 8.00 H new ATOM 0 H72 DT A 4 1.027 -5.646 2.356 1.00 8.00 H new ATOM 0 H73 DT A 4 -0.039 -4.235 2.156 1.00 8.00 H new ATOM 0 H6 DT A 4 3.024 -4.008 4.085 1.00 8.00 H new ATOM 127 P DC A 5 5.548 -3.466 9.627 1.00 8.00 P ATOM 128 OP1 DC A 5 5.272 -4.902 9.813 1.00 8.00 O ATOM 129 OP2 DC A 5 4.609 -2.406 10.063 1.00 8.00 O ATOM 130 O5' DC A 5 6.973 -3.097 10.220 1.00 8.00 O ATOM 131 C5' DC A 5 8.132 -3.804 9.843 1.00 8.00 C ATOM 132 C4' DC A 5 9.237 -2.774 9.584 1.00 8.00 C ATOM 133 O4' DC A 5 10.486 -3.294 10.018 1.00 8.00 O ATOM 134 C3' DC A 5 9.397 -2.413 8.111 1.00 8.00 C ATOM 135 O3' DC A 5 9.746 -1.062 7.979 1.00 8.00 O ATOM 136 C2' DC A 5 10.601 -3.209 7.669 1.00 8.00 C ATOM 137 C1' DC A 5 11.420 -3.219 8.956 1.00 8.00 C ATOM 138 N1 DC A 5 12.261 -4.432 8.990 1.00 8.00 N ATOM 139 C2 DC A 5 13.641 -4.305 8.969 1.00 8.00 C ATOM 140 O2 DC A 5 14.172 -3.202 8.919 1.00 8.00 O ATOM 141 N3 DC A 5 14.407 -5.423 8.995 1.00 8.00 N ATOM 142 C4 DC A 5 13.830 -6.607 9.034 1.00 8.00 C ATOM 143 N4 DC A 5 14.638 -7.641 9.046 1.00 8.00 N ATOM 144 C5 DC A 5 12.419 -6.786 9.035 1.00 8.00 C ATOM 145 C6 DC A 5 11.671 -5.662 9.017 1.00 8.00 C ATOM 0 H5' DC A 5 7.945 -4.398 8.949 1.00 8.00 H new ATOM 0 H5'' DC A 5 8.431 -4.497 10.629 1.00 8.00 H new ATOM 0 H4' DC A 5 8.943 -1.879 10.133 1.00 8.00 H new ATOM 0 H3' DC A 5 8.483 -2.607 7.549 1.00 8.00 H new ATOM 0 H2' DC A 5 10.335 -4.213 7.340 1.00 8.00 H new ATOM 0 H2'' DC A 5 11.132 -2.733 6.844 1.00 8.00 H new ATOM 0 H1' DC A 5 12.057 -2.337 9.028 1.00 8.00 H new ATOM 0 H41 DC A 5 14.256 -8.586 9.076 1.00 8.00 H new ATOM 0 H42 DC A 5 15.648 -7.499 9.025 1.00 8.00 H new ATOM 0 H5 DC A 5 11.970 -7.768 9.049 1.00 8.00 H new ATOM 0 H6 DC A 5 10.594 -5.737 9.024 1.00 8.00 H new ATOM 157 P DA A 6 8.624 0.035 7.723 1.00 8.00 P ATOM 158 OP1 DA A 6 9.245 1.367 7.607 1.00 8.00 O ATOM 159 OP2 DA A 6 7.474 -0.180 8.638 1.00 8.00 O ATOM 160 O5' DA A 6 8.122 -0.396 6.269 1.00 8.00 O ATOM 161 C5' DA A 6 9.020 -0.665 5.222 1.00 8.00 C ATOM 162 C4' DA A 6 8.516 -0.075 3.905 1.00 8.00 C ATOM 163 O4' DA A 6 7.191 -0.528 3.679 1.00 8.00 O ATOM 164 C3' DA A 6 8.516 1.461 3.896 1.00 8.00 C ATOM 165 O3' DA A 6 9.154 2.094 2.797 1.00 8.00 O ATOM 166 C2' DA A 6 7.053 1.859 4.041 1.00 8.00 C ATOM 167 C1' DA A 6 6.288 0.559 3.787 1.00 8.00 C ATOM 168 N9 DA A 6 5.271 0.335 4.838 1.00 8.00 N ATOM 169 C8 DA A 6 5.332 0.516 6.199 1.00 8.00 C ATOM 170 N7 DA A 6 4.215 0.302 6.842 1.00 8.00 N ATOM 171 C5 DA A 6 3.342 -0.040 5.804 1.00 8.00 C ATOM 172 C6 DA A 6 1.990 -0.411 5.734 1.00 8.00 C ATOM 173 N6 DA A 6 1.185 -0.464 6.781 1.00 8.00 N ATOM 174 N1 DA A 6 1.453 -0.765 4.566 1.00 8.00 N ATOM 175 C2 DA A 6 2.214 -0.741 3.484 1.00 8.00 C ATOM 176 N3 DA A 6 3.479 -0.391 3.393 1.00 8.00 N ATOM 177 C4 DA A 6 3.990 -0.062 4.598 1.00 8.00 C ATOM 0 H5' DA A 6 9.149 -1.742 5.116 1.00 8.00 H new ATOM 0 H5'' DA A 6 9.998 -0.248 5.461 1.00 8.00 H new ATOM 0 H4' DA A 6 9.197 -0.407 3.121 1.00 8.00 H new ATOM 0 H3' DA A 6 9.139 1.818 4.716 1.00 8.00 H new ATOM 0 H2' DA A 6 6.844 2.257 5.034 1.00 8.00 H new ATOM 0 H2'' DA A 6 6.777 2.631 3.323 1.00 8.00 H new ATOM 0 H1' DA A 6 5.755 0.640 2.840 1.00 8.00 H new ATOM 0 H8 DA A 6 6.240 0.814 6.702 1.00 8.00 H new ATOM 0 H61 DA A 6 0.211 -0.742 6.662 1.00 8.00 H new ATOM 0 H62 DA A 6 1.538 -0.227 7.708 1.00 8.00 H new ATOM 0 H2 DA A 6 1.739 -1.046 2.563 1.00 8.00 H new ATOM 189 P DT A 7 8.814 1.819 1.253 1.00 8.00 P ATOM 190 OP1 DT A 7 9.027 0.382 0.964 1.00 8.00 O ATOM 191 OP2 DT A 7 9.566 2.815 0.456 1.00 8.00 O ATOM 192 O5' DT A 7 7.269 2.178 1.052 1.00 8.00 O ATOM 193 C5' DT A 7 6.596 1.794 -0.128 1.00 8.00 C ATOM 194 C4' DT A 7 5.148 2.299 -0.184 1.00 8.00 C ATOM 195 O4' DT A 7 4.418 1.795 0.920 1.00 8.00 O ATOM 196 C3' DT A 7 4.983 3.825 -0.136 1.00 8.00 C ATOM 197 O3' DT A 7 4.712 4.370 -1.411 1.00 8.00 O ATOM 198 C2' DT A 7 3.743 4.007 0.741 1.00 8.00 C ATOM 199 C1' DT A 7 3.263 2.590 1.048 1.00 8.00 C ATOM 200 N1 DT A 7 2.768 2.534 2.436 1.00 8.00 N ATOM 201 C2 DT A 7 1.438 2.243 2.663 1.00 8.00 C ATOM 202 O2 DT A 7 0.652 1.912 1.789 1.00 8.00 O ATOM 203 N3 DT A 7 1.014 2.346 3.960 1.00 8.00 N ATOM 204 C4 DT A 7 1.743 2.793 5.030 1.00 8.00 C ATOM 205 O4 DT A 7 1.207 2.841 6.131 1.00 8.00 O ATOM 206 C5 DT A 7 3.111 3.157 4.706 1.00 8.00 C ATOM 207 C7 DT A 7 4.004 3.906 5.677 1.00 8.00 C ATOM 208 C6 DT A 7 3.566 2.987 3.448 1.00 8.00 C ATOM 0 H5' DT A 7 6.599 0.707 -0.204 1.00 8.00 H new ATOM 0 H5'' DT A 7 7.142 2.175 -0.991 1.00 8.00 H new ATOM 0 H4' DT A 7 4.783 1.947 -1.149 1.00 8.00 H new ATOM 0 H3' DT A 7 5.885 4.318 0.227 1.00 8.00 H new ATOM 0 H2' DT A 7 3.983 4.549 1.656 1.00 8.00 H new ATOM 0 H2'' DT A 7 2.974 4.580 0.223 1.00 8.00 H new ATOM 0 H1' DT A 7 2.456 2.262 0.392 1.00 8.00 H new ATOM 0 H3 DT A 7 0.054 2.060 4.150 1.00 8.00 H new ATOM 0 H71 DT A 7 5.043 3.625 5.507 1.00 8.00 H new ATOM 0 H72 DT A 7 3.889 4.979 5.524 1.00 8.00 H new ATOM 0 H73 DT A 7 3.722 3.653 6.699 1.00 8.00 H new ATOM 0 H6 DT A 7 4.599 3.217 3.233 1.00 8.00 H new ATOM 221 P DT A 8 5.831 5.193 -2.226 1.00 8.00 P ATOM 222 OP1 DT A 8 7.154 4.951 -1.600 1.00 8.00 O ATOM 223 OP2 DT A 8 5.351 6.576 -2.397 1.00 8.00 O ATOM 224 O5' DT A 8 5.852 4.492 -3.667 1.00 8.00 O ATOM 225 C5' DT A 8 6.694 3.395 -3.949 1.00 8.00 C ATOM 226 C4' DT A 8 6.258 2.593 -5.190 1.00 8.00 C ATOM 227 O4' DT A 8 4.908 2.190 -5.069 1.00 8.00 O ATOM 228 C3' DT A 8 6.334 3.361 -6.502 1.00 8.00 C ATOM 229 O3' DT A 8 6.432 2.310 -7.446 1.00 8.00 O ATOM 230 C2' DT A 8 4.962 4.008 -6.500 1.00 8.00 C ATOM 231 C1' DT A 8 4.147 2.814 -6.083 1.00 8.00 C ATOM 232 N1 DT A 8 2.865 3.306 -5.586 1.00 8.00 N ATOM 233 C2 DT A 8 1.852 3.516 -6.497 1.00 8.00 C ATOM 234 O2 DT A 8 2.019 3.400 -7.714 1.00 8.00 O ATOM 235 N3 DT A 8 0.647 3.903 -5.973 1.00 8.00 N ATOM 236 C4 DT A 8 0.400 4.152 -4.639 1.00 8.00 C ATOM 237 O4 DT A 8 -0.742 4.450 -4.308 1.00 8.00 O ATOM 238 C5 DT A 8 1.561 4.045 -3.763 1.00 8.00 C ATOM 239 C7 DT A 8 1.452 4.312 -2.266 1.00 8.00 C ATOM 240 C6 DT A 8 2.748 3.643 -4.275 1.00 8.00 C ATOM 0 H5' DT A 8 6.715 2.731 -3.085 1.00 8.00 H new ATOM 0 H5'' DT A 8 7.712 3.756 -4.098 1.00 8.00 H new ATOM 0 H4' DT A 8 6.959 1.759 -5.223 1.00 8.00 H new ATOM 0 H3' DT A 8 7.123 4.092 -6.677 1.00 8.00 H new ATOM 0 H2' DT A 8 4.887 4.837 -5.796 1.00 8.00 H new ATOM 0 H2'' DT A 8 4.676 4.394 -7.478 1.00 8.00 H new ATOM 0 H1' DT A 8 3.939 2.106 -6.885 1.00 8.00 H new ATOM 0 H3 DT A 8 -0.131 4.016 -6.622 1.00 8.00 H new ATOM 0 H71 DT A 8 2.188 3.708 -1.734 1.00 8.00 H new ATOM 0 H72 DT A 8 1.639 5.368 -2.070 1.00 8.00 H new ATOM 0 H73 DT A 8 0.451 4.051 -1.922 1.00 8.00 H new ATOM 0 H6 DT A 8 3.614 3.589 -3.632 1.00 8.00 H new TER 253 DT A 8 ATOM 254 P DC B 1 -7.832 -5.960 -7.742 1.00 8.00 P ATOM 255 OP1 DC B 1 -8.466 -7.033 -6.948 1.00 8.00 O ATOM 256 OP2 DC B 1 -7.470 -6.405 -9.103 1.00 8.00 O ATOM 257 O5' DC B 1 -8.840 -4.730 -7.856 1.00 8.00 O ATOM 258 C5' DC B 1 -8.596 -3.674 -8.764 1.00 8.00 C ATOM 259 C4' DC B 1 -9.695 -2.606 -8.677 1.00 8.00 C ATOM 260 O4' DC B 1 -10.902 -3.088 -9.245 1.00 8.00 O ATOM 261 C3' DC B 1 -10.000 -2.245 -7.225 1.00 8.00 C ATOM 262 O3' DC B 1 -10.194 -0.862 -7.025 1.00 8.00 O ATOM 263 C2' DC B 1 -11.295 -2.955 -6.932 1.00 8.00 C ATOM 264 C1' DC B 1 -11.951 -2.934 -8.307 1.00 8.00 C ATOM 265 N1 DC B 1 -12.858 -4.090 -8.445 1.00 8.00 N ATOM 266 C2 DC B 1 -14.216 -3.869 -8.609 1.00 8.00 C ATOM 267 O2 DC B 1 -14.673 -2.732 -8.614 1.00 8.00 O ATOM 268 N3 DC B 1 -15.043 -4.931 -8.760 1.00 8.00 N ATOM 269 C4 DC B 1 -14.547 -6.151 -8.743 1.00 8.00 C ATOM 270 N4 DC B 1 -15.412 -7.126 -8.893 1.00 8.00 N ATOM 271 C5 DC B 1 -13.163 -6.426 -8.561 1.00 8.00 C ATOM 272 C6 DC B 1 -12.349 -5.357 -8.417 1.00 8.00 C ATOM 0 H5' DC B 1 -8.546 -4.067 -9.779 1.00 8.00 H new ATOM 0 H5'' DC B 1 -7.628 -3.222 -8.549 1.00 8.00 H new ATOM 0 H4' DC B 1 -9.329 -1.732 -9.217 1.00 8.00 H new ATOM 0 H3' DC B 1 -9.166 -2.530 -6.583 1.00 8.00 H new ATOM 0 H2' DC B 1 -11.136 -3.969 -6.566 1.00 8.00 H new ATOM 0 H2'' DC B 1 -11.891 -2.435 -6.182 1.00 8.00 H new ATOM 0 H1' DC B 1 -12.517 -2.014 -8.456 1.00 8.00 H new ATOM 0 H41 DC B 1 -15.094 -8.095 -8.889 1.00 8.00 H new ATOM 0 H42 DC B 1 -16.403 -6.915 -9.013 1.00 8.00 H new ATOM 0 H5 DC B 1 -12.783 -7.437 -8.539 1.00 8.00 H new ATOM 0 H6 DC B 1 -11.288 -5.506 -8.279 1.00 8.00 H new ATOM 284 P DA B 2 -8.941 0.055 -6.686 1.00 8.00 P ATOM 285 OP1 DA B 2 -9.358 1.384 -6.161 1.00 8.00 O ATOM 286 OP2 DA B 2 -7.943 -0.053 -7.783 1.00 8.00 O ATOM 287 O5' DA B 2 -8.299 -0.754 -5.470 1.00 8.00 O ATOM 288 C5' DA B 2 -9.060 -1.220 -4.373 1.00 8.00 C ATOM 289 C4' DA B 2 -8.434 -0.723 -3.074 1.00 8.00 C ATOM 290 O4' DA B 2 -7.083 -1.122 -3.034 1.00 8.00 O ATOM 291 C3' DA B 2 -8.466 0.797 -3.005 1.00 8.00 C ATOM 292 O3' DA B 2 -8.751 1.232 -1.703 1.00 8.00 O ATOM 293 C2' DA B 2 -7.081 1.232 -3.482 1.00 8.00 C ATOM 294 C1' DA B 2 -6.240 -0.007 -3.205 1.00 8.00 C ATOM 295 N9 DA B 2 -5.287 -0.308 -4.285 1.00 8.00 N ATOM 296 C8 DA B 2 -5.399 -0.204 -5.644 1.00 8.00 C ATOM 297 N7 DA B 2 -4.405 -0.697 -6.332 1.00 8.00 N ATOM 298 C5 DA B 2 -3.529 -1.103 -5.313 1.00 8.00 C ATOM 299 C6 DA B 2 -2.235 -1.651 -5.260 1.00 8.00 C ATOM 300 N6 DA B 2 -1.505 -1.986 -6.310 1.00 8.00 N ATOM 301 N1 DA B 2 -1.645 -1.838 -4.083 1.00 8.00 N ATOM 302 C2 DA B 2 -2.301 -1.527 -2.977 1.00 8.00 C ATOM 303 N3 DA B 2 -3.511 -1.038 -2.872 1.00 8.00 N ATOM 304 C4 DA B 2 -4.070 -0.861 -4.081 1.00 8.00 C ATOM 0 H5' DA B 2 -9.097 -2.309 -4.378 1.00 8.00 H new ATOM 0 H5'' DA B 2 -10.088 -0.866 -4.453 1.00 8.00 H new ATOM 0 H4' DA B 2 -8.999 -1.141 -2.241 1.00 8.00 H new ATOM 0 H3' DA B 2 -9.250 1.234 -3.623 1.00 8.00 H new ATOM 0 H2' DA B 2 -7.079 1.497 -4.539 1.00 8.00 H new ATOM 0 H2'' DA B 2 -6.717 2.102 -2.935 1.00 8.00 H new ATOM 0 H1' DA B 2 -5.667 0.201 -2.301 1.00 8.00 H new ATOM 0 H8 DA B 2 -6.254 0.256 -6.117 1.00 8.00 H new ATOM 0 H61 DA B 2 -0.573 -2.379 -6.179 1.00 8.00 H new ATOM 0 H62 DA B 2 -1.874 -1.852 -7.251 1.00 8.00 H new ATOM 0 H2 DA B 2 -1.775 -1.697 -2.049 1.00 8.00 H new ATOM 316 P DT B 3 -8.848 2.784 -1.413 1.00 8.00 P ATOM 317 OP1 DT B 3 -9.689 2.906 -0.194 1.00 8.00 O ATOM 318 OP2 DT B 3 -9.224 3.459 -2.679 1.00 8.00 O ATOM 319 O5' DT B 3 -7.369 3.161 -0.973 1.00 8.00 O ATOM 320 C5' DT B 3 -6.768 2.507 0.137 1.00 8.00 C ATOM 321 C4' DT B 3 -5.254 2.719 0.203 1.00 8.00 C ATOM 322 O4' DT B 3 -4.620 1.888 -0.750 1.00 8.00 O ATOM 323 C3' DT B 3 -4.778 4.145 -0.099 1.00 8.00 C ATOM 324 O3' DT B 3 -4.471 4.838 1.088 1.00 8.00 O ATOM 325 C2' DT B 3 -3.508 3.902 -0.916 1.00 8.00 C ATOM 326 C1' DT B 3 -3.314 2.386 -0.925 1.00 8.00 C ATOM 327 N1 DT B 3 -2.813 1.980 -2.250 1.00 8.00 N ATOM 328 C2 DT B 3 -1.510 1.543 -2.382 1.00 8.00 C ATOM 329 O2 DT B 3 -0.765 1.325 -1.440 1.00 8.00 O ATOM 330 N3 DT B 3 -1.068 1.362 -3.668 1.00 8.00 N ATOM 331 C4 DT B 3 -1.741 1.676 -4.819 1.00 8.00 C ATOM 332 O4 DT B 3 -1.201 1.469 -5.901 1.00 8.00 O ATOM 333 C5 DT B 3 -3.070 2.218 -4.601 1.00 8.00 C ATOM 334 C7 DT B 3 -3.864 2.895 -5.703 1.00 8.00 C ATOM 335 C6 DT B 3 -3.548 2.317 -3.345 1.00 8.00 C ATOM 0 H5' DT B 3 -6.978 1.439 0.081 1.00 8.00 H new ATOM 0 H5'' DT B 3 -7.222 2.873 1.058 1.00 8.00 H new ATOM 0 H4' DT B 3 -4.993 2.488 1.236 1.00 8.00 H new ATOM 0 H3' DT B 3 -5.526 4.750 -0.612 1.00 8.00 H new ATOM 0 H2' DT B 3 -3.612 4.291 -1.929 1.00 8.00 H new ATOM 0 H2'' DT B 3 -2.651 4.405 -0.468 1.00 8.00 H new ATOM 0 H1' DT B 3 -2.613 2.030 -0.170 1.00 8.00 H new ATOM 0 H3 DT B 3 -0.141 0.951 -3.779 1.00 8.00 H new ATOM 0 H71 DT B 3 -4.929 2.746 -5.528 1.00 8.00 H new ATOM 0 H72 DT B 3 -3.643 3.962 -5.708 1.00 8.00 H new ATOM 0 H73 DT B 3 -3.591 2.463 -6.666 1.00 8.00 H new ATOM 0 H6 DT B 3 -4.555 2.679 -3.201 1.00 8.00 H new ATOM 348 P DT B 4 -5.576 5.774 1.786 1.00 8.00 P ATOM 349 OP1 DT B 4 -6.930 5.313 1.386 1.00 8.00 O ATOM 350 OP2 DT B 4 -5.198 7.179 1.561 1.00 8.00 O ATOM 351 O5' DT B 4 -5.417 5.461 3.347 1.00 8.00 O ATOM 352 C5' DT B 4 -6.076 4.376 3.969 1.00 8.00 C ATOM 353 C4' DT B 4 -5.641 4.212 5.432 1.00 8.00 C ATOM 354 O4' DT B 4 -4.280 3.811 5.466 1.00 8.00 O ATOM 355 C3' DT B 4 -5.753 5.569 6.145 1.00 8.00 C ATOM 356 O3' DT B 4 -6.274 5.536 7.464 1.00 8.00 O ATOM 357 C2' DT B 4 -4.322 6.080 6.031 1.00 8.00 C ATOM 358 C1' DT B 4 -3.496 4.807 6.088 1.00 8.00 C ATOM 359 N1 DT B 4 -2.232 5.018 5.367 1.00 8.00 N ATOM 360 C2 DT B 4 -1.114 5.384 6.090 1.00 8.00 C ATOM 361 O2 DT B 4 -1.135 5.589 7.305 1.00 8.00 O ATOM 362 N3 DT B 4 0.042 5.564 5.380 1.00 8.00 N ATOM 363 C4 DT B 4 0.174 5.417 4.020 1.00 8.00 C ATOM 364 O4 DT B 4 1.290 5.543 3.531 1.00 8.00 O ATOM 365 C5 DT B 4 -1.061 5.118 3.307 1.00 8.00 C ATOM 366 C7 DT B 4 -1.061 4.953 1.792 1.00 8.00 C ATOM 367 C6 DT B 4 -2.212 4.940 4.005 1.00 8.00 C ATOM 0 H5' DT B 4 -5.863 3.458 3.421 1.00 8.00 H new ATOM 0 H5'' DT B 4 -7.154 4.531 3.925 1.00 8.00 H new ATOM 0 H4' DT B 4 -6.273 3.470 5.920 1.00 8.00 H new ATOM 0 H3' DT B 4 -6.496 6.227 5.694 1.00 8.00 H new ATOM 0 H2' DT B 4 -4.161 6.624 5.100 1.00 8.00 H new ATOM 0 H2'' DT B 4 -4.071 6.760 6.845 1.00 8.00 H new ATOM 0 H1' DT B 4 -3.244 4.516 7.108 1.00 8.00 H new ATOM 0 H3 DT B 4 0.876 5.830 5.904 1.00 8.00 H new ATOM 0 H71 DT B 4 -1.847 4.256 1.502 1.00 8.00 H new ATOM 0 H72 DT B 4 -1.241 5.919 1.321 1.00 8.00 H new ATOM 0 H73 DT B 4 -0.095 4.566 1.468 1.00 8.00 H new ATOM 0 H6 DT B 4 -3.128 4.733 3.472 1.00 8.00 H new ATOM 380 P DC B 5 -5.522 4.891 8.719 1.00 8.00 P ATOM 381 OP1 DC B 5 -4.380 5.762 9.095 1.00 8.00 O ATOM 382 OP2 DC B 5 -5.253 3.465 8.434 1.00 8.00 O ATOM 383 O5' DC B 5 -6.622 4.965 9.885 1.00 8.00 O ATOM 384 C5' DC B 5 -7.171 3.798 10.474 1.00 8.00 C ATOM 385 C4' DC B 5 -8.532 3.351 9.914 1.00 8.00 C ATOM 386 O4' DC B 5 -9.556 4.135 10.503 1.00 8.00 O ATOM 387 C3' DC B 5 -8.765 3.362 8.400 1.00 8.00 C ATOM 388 O3' DC B 5 -9.499 2.229 8.002 1.00 8.00 O ATOM 389 C2' DC B 5 -9.646 4.572 8.178 1.00 8.00 C ATOM 390 C1' DC B 5 -10.408 4.646 9.497 1.00 8.00 C ATOM 391 N1 DC B 5 -10.692 6.053 9.839 1.00 8.00 N ATOM 392 C2 DC B 5 -12.009 6.475 9.936 1.00 8.00 C ATOM 393 O2 DC B 5 -12.935 5.713 9.683 1.00 8.00 O ATOM 394 N3 DC B 5 -12.266 7.750 10.311 1.00 8.00 N ATOM 395 C4 DC B 5 -11.265 8.567 10.571 1.00 8.00 C ATOM 396 N4 DC B 5 -11.597 9.784 10.937 1.00 8.00 N ATOM 397 C5 DC B 5 -9.901 8.185 10.469 1.00 8.00 C ATOM 398 C6 DC B 5 -9.659 6.908 10.101 1.00 8.00 C ATOM 0 H5' DC B 5 -7.277 3.968 11.545 1.00 8.00 H new ATOM 0 H5'' DC B 5 -6.461 2.981 10.350 1.00 8.00 H new ATOM 0 H4' DC B 5 -8.545 2.292 10.174 1.00 8.00 H new ATOM 0 H3' DC B 5 -7.825 3.374 7.848 1.00 8.00 H new ATOM 0 H2' DC B 5 -9.063 5.474 7.991 1.00 8.00 H new ATOM 0 H2'' DC B 5 -10.314 4.442 7.326 1.00 8.00 H new ATOM 0 H1' DC B 5 -11.341 4.088 9.417 1.00 8.00 H new ATOM 0 H41 DC B 5 -10.871 10.467 11.153 1.00 8.00 H new ATOM 0 H42 DC B 5 -12.581 10.046 11.005 1.00 8.00 H new ATOM 0 H5 DC B 5 -9.099 8.879 10.675 1.00 8.00 H new ATOM 0 H6 DC B 5 -8.640 6.560 10.013 1.00 8.00 H new ATOM 410 P DA B 6 -8.761 0.837 7.729 1.00 8.00 P ATOM 411 OP1 DA B 6 -9.753 -0.250 7.715 1.00 8.00 O ATOM 412 OP2 DA B 6 -7.561 0.754 8.601 1.00 8.00 O ATOM 413 O5' DA B 6 -8.210 1.026 6.242 1.00 8.00 O ATOM 414 C5' DA B 6 -9.014 1.569 5.228 1.00 8.00 C ATOM 415 C4' DA B 6 -8.566 1.113 3.839 1.00 8.00 C ATOM 416 O4' DA B 6 -7.213 1.447 3.625 1.00 8.00 O ATOM 417 C3' DA B 6 -8.697 -0.388 3.574 1.00 8.00 C ATOM 418 O3' DA B 6 -8.985 -0.477 2.195 1.00 8.00 O ATOM 419 C2' DA B 6 -7.320 -0.930 3.944 1.00 8.00 C ATOM 420 C1' DA B 6 -6.422 0.276 3.691 1.00 8.00 C ATOM 421 N9 DA B 6 -5.389 0.454 4.727 1.00 8.00 N ATOM 422 C8 DA B 6 -5.419 0.234 6.081 1.00 8.00 C ATOM 423 N7 DA B 6 -4.341 0.602 6.722 1.00 8.00 N ATOM 424 C5 DA B 6 -3.520 1.062 5.687 1.00 8.00 C ATOM 425 C6 DA B 6 -2.213 1.570 5.607 1.00 8.00 C ATOM 426 N6 DA B 6 -1.421 1.765 6.650 1.00 8.00 N ATOM 427 N1 DA B 6 -1.670 1.809 4.416 1.00 8.00 N ATOM 428 C2 DA B 6 -2.395 1.606 3.327 1.00 8.00 C ATOM 429 N3 DA B 6 -3.640 1.193 3.255 1.00 8.00 N ATOM 430 C4 DA B 6 -4.147 0.951 4.479 1.00 8.00 C ATOM 0 H5' DA B 6 -8.980 2.657 5.281 1.00 8.00 H new ATOM 0 H5'' DA B 6 -10.051 1.274 5.390 1.00 8.00 H new ATOM 0 H4' DA B 6 -9.242 1.632 3.160 1.00 8.00 H new ATOM 0 H3' DA B 6 -9.463 -0.937 4.122 1.00 8.00 H new ATOM 0 H2' DA B 6 -7.277 -1.259 4.982 1.00 8.00 H new ATOM 0 H2'' DA B 6 -7.039 -1.784 3.327 1.00 8.00 H new ATOM 0 H1' DA B 6 -5.908 0.095 2.747 1.00 8.00 H new ATOM 0 H8 DA B 6 -6.269 -0.209 6.579 1.00 8.00 H new ATOM 0 H61 DA B 6 -0.481 2.138 6.514 1.00 8.00 H new ATOM 0 H62 DA B 6 -1.750 1.542 7.589 1.00 8.00 H new ATOM 0 H2 DA B 6 -1.904 1.804 2.385 1.00 8.00 H new ATOM 442 P DT B 7 -9.023 -1.838 1.363 1.00 8.00 P ATOM 443 OP1 DT B 7 -9.639 -1.428 0.086 1.00 8.00 O ATOM 444 OP2 DT B 7 -9.612 -2.964 2.113 1.00 8.00 O ATOM 445 O5' DT B 7 -7.522 -2.297 1.100 1.00 8.00 O ATOM 446 C5' DT B 7 -6.819 -1.932 -0.063 1.00 8.00 C ATOM 447 C4' DT B 7 -5.346 -2.348 0.025 1.00 8.00 C ATOM 448 O4' DT B 7 -4.669 -1.560 0.989 1.00 8.00 O ATOM 449 C3' DT B 7 -5.117 -3.800 0.466 1.00 8.00 C ATOM 450 O3' DT B 7 -4.867 -4.660 -0.619 1.00 8.00 O ATOM 451 C2' DT B 7 -3.859 -3.708 1.320 1.00 8.00 C ATOM 452 C1' DT B 7 -3.464 -2.231 1.289 1.00 8.00 C ATOM 453 N1 DT B 7 -2.985 -1.850 2.630 1.00 8.00 N ATOM 454 C2 DT B 7 -1.650 -1.536 2.804 1.00 8.00 C ATOM 455 O2 DT B 7 -0.861 -1.378 1.885 1.00 8.00 O ATOM 456 N3 DT B 7 -1.223 -1.418 4.101 1.00 8.00 N ATOM 457 C4 DT B 7 -1.958 -1.678 5.228 1.00 8.00 C ATOM 458 O4 DT B 7 -1.447 -1.505 6.329 1.00 8.00 O ATOM 459 C5 DT B 7 -3.316 -2.118 4.969 1.00 8.00 C ATOM 460 C7 DT B 7 -4.175 -2.754 6.046 1.00 8.00 C ATOM 461 C6 DT B 7 -3.776 -2.143 3.703 1.00 8.00 C ATOM 0 H5' DT B 7 -6.887 -0.854 -0.209 1.00 8.00 H new ATOM 0 H5'' DT B 7 -7.281 -2.401 -0.932 1.00 8.00 H new ATOM 0 H4' DT B 7 -4.973 -2.215 -0.991 1.00 8.00 H new ATOM 0 H3' DT B 7 -5.991 -4.205 0.976 1.00 8.00 H new ATOM 0 H2' DT B 7 -4.049 -4.044 2.339 1.00 8.00 H new ATOM 0 H2'' DT B 7 -3.064 -4.337 0.920 1.00 8.00 H new ATOM 0 H1' DT B 7 -2.677 -1.999 0.572 1.00 8.00 H new ATOM 0 H3 DT B 7 -0.262 -1.105 4.241 1.00 8.00 H new ATOM 0 H71 DT B 7 -5.224 -2.528 5.856 1.00 8.00 H new ATOM 0 H72 DT B 7 -4.029 -3.834 6.037 1.00 8.00 H new ATOM 0 H73 DT B 7 -3.889 -2.358 7.020 1.00 8.00 H new ATOM 0 H6 DT B 7 -4.810 -2.405 3.531 1.00 8.00 H new ATOM 474 P DT B 8 -6.013 -5.655 -1.136 1.00 8.00 P ATOM 475 OP1 DT B 8 -7.320 -5.163 -0.624 1.00 8.00 O ATOM 476 OP2 DT B 8 -5.589 -7.029 -0.813 1.00 8.00 O ATOM 477 O5' DT B 8 -5.964 -5.467 -2.728 1.00 8.00 O ATOM 478 C5' DT B 8 -6.697 -4.454 -3.385 1.00 8.00 C ATOM 479 C4' DT B 8 -6.300 -4.284 -4.866 1.00 8.00 C ATOM 480 O4' DT B 8 -4.989 -3.740 -4.967 1.00 8.00 O ATOM 481 C3' DT B 8 -6.302 -5.623 -5.615 1.00 8.00 C ATOM 482 O3' DT B 8 -6.507 -5.450 -7.005 1.00 8.00 O ATOM 483 C2' DT B 8 -4.850 -6.022 -5.453 1.00 8.00 C ATOM 484 C1' DT B 8 -4.149 -4.685 -5.604 1.00 8.00 C ATOM 485 N1 DT B 8 -2.846 -4.792 -4.929 1.00 8.00 N ATOM 486 C2 DT B 8 -1.729 -5.072 -5.696 1.00 8.00 C ATOM 487 O2 DT B 8 -1.742 -5.138 -6.918 1.00 8.00 O ATOM 488 N3 DT B 8 -0.558 -5.285 -5.019 1.00 8.00 N ATOM 489 C4 DT B 8 -0.404 -5.241 -3.655 1.00 8.00 C ATOM 490 O4 DT B 8 0.711 -5.452 -3.191 1.00 8.00 O ATOM 491 C5 DT B 8 -1.616 -4.946 -2.905 1.00 8.00 C ATOM 492 C7 DT B 8 -1.565 -4.805 -1.391 1.00 8.00 C ATOM 493 C6 DT B 8 -2.787 -4.745 -3.565 1.00 8.00 C ATOM 0 H5' DT B 8 -6.546 -3.509 -2.864 1.00 8.00 H new ATOM 0 H5'' DT B 8 -7.760 -4.686 -3.324 1.00 8.00 H new ATOM 0 H4' DT B 8 -7.037 -3.616 -5.312 1.00 8.00 H new ATOM 0 H3' DT B 8 -7.067 -6.309 -5.252 1.00 8.00 H new ATOM 0 H2' DT B 8 -4.656 -6.479 -4.483 1.00 8.00 H new ATOM 0 H2'' DT B 8 -4.535 -6.738 -6.212 1.00 8.00 H new ATOM 0 H1' DT B 8 -3.975 -4.391 -6.639 1.00 8.00 H new ATOM 0 H3 DT B 8 0.271 -5.494 -5.575 1.00 8.00 H new ATOM 0 H71 DT B 8 -2.336 -4.108 -1.064 1.00 8.00 H new ATOM 0 H72 DT B 8 -1.736 -5.777 -0.929 1.00 8.00 H new ATOM 0 H73 DT B 8 -0.586 -4.429 -1.093 1.00 8.00 H new ATOM 0 H6 DT B 8 -3.686 -4.545 -3.001 1.00 8.00 H new TER 506 DT B 8