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=-0.00665 (180deg=-0.00665) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 3 DT C7 :methyl -30:sc= 0 (180deg=-0.02) USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.022 (180deg=-0.022) USER MOD Single : B 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 P DC A 1 7.358 3.188 -8.921 1.00 8.00 P ATOM 2 OP1 DC A 1 7.056 2.338 -10.091 1.00 8.00 O ATOM 3 OP2 DC A 1 7.241 4.631 -9.218 1.00 8.00 O ATOM 4 O5' DC A 1 8.841 2.878 -8.419 1.00 8.00 O ATOM 5 C5' DC A 1 9.387 1.569 -8.393 1.00 8.00 C ATOM 6 C4' DC A 1 10.678 1.553 -7.547 1.00 8.00 C ATOM 7 O4' DC A 1 11.670 2.356 -8.170 1.00 8.00 O ATOM 8 C3' DC A 1 10.382 2.173 -6.185 1.00 8.00 C ATOM 9 O3' DC A 1 11.090 1.700 -5.056 1.00 8.00 O ATOM 10 C2' DC A 1 10.878 3.572 -6.305 1.00 8.00 C ATOM 11 C1' DC A 1 12.037 3.395 -7.281 1.00 8.00 C ATOM 12 N1 DC A 1 12.279 4.639 -8.042 1.00 8.00 N ATOM 13 C2 DC A 1 13.541 5.212 -8.019 1.00 8.00 C ATOM 14 O2 DC A 1 14.452 4.714 -7.367 1.00 8.00 O ATOM 15 N3 DC A 1 13.768 6.346 -8.725 1.00 8.00 N ATOM 16 C4 DC A 1 12.789 6.883 -9.426 1.00 8.00 C ATOM 17 N4 DC A 1 13.080 7.983 -10.082 1.00 8.00 N ATOM 18 C5 DC A 1 11.482 6.329 -9.485 1.00 8.00 C ATOM 19 C6 DC A 1 11.273 5.199 -8.776 1.00 8.00 C ATOM 0 H5' DC A 1 9.603 1.236 -9.408 1.00 8.00 H new ATOM 0 H5'' DC A 1 8.661 0.871 -7.977 1.00 8.00 H new ATOM 0 H4' DC A 1 11.026 0.525 -7.449 1.00 8.00 H new ATOM 0 H3' DC A 1 9.326 1.969 -6.005 1.00 8.00 H new ATOM 0 H2' DC A 1 10.115 4.247 -6.691 1.00 8.00 H new ATOM 0 H2'' DC A 1 11.205 3.976 -5.347 1.00 8.00 H new ATOM 0 H1' DC A 1 12.954 3.155 -6.742 1.00 8.00 H new ATOM 0 H41 DC A 1 12.365 8.447 -10.643 1.00 8.00 H new ATOM 0 H42 DC A 1 14.021 8.374 -10.031 1.00 8.00 H new ATOM 0 H5 DC A 1 10.696 6.788 -10.067 1.00 8.00 H new ATOM 0 H6 DC A 1 10.299 4.733 -8.790 1.00 8.00 H new ATOM 31 P DA A 2 10.366 1.847 -3.631 1.00 8.00 P ATOM 32 OP1 DA A 2 9.852 3.214 -3.402 1.00 8.00 O ATOM 33 OP2 DA A 2 11.053 1.118 -2.537 1.00 8.00 O ATOM 34 O5' DA A 2 9.202 0.913 -4.143 1.00 8.00 O ATOM 35 C5' DA A 2 9.565 -0.424 -4.365 1.00 8.00 C ATOM 36 C4' DA A 2 8.928 -1.199 -3.205 1.00 8.00 C ATOM 37 O4' DA A 2 7.710 -0.537 -2.832 1.00 8.00 O ATOM 38 C3' DA A 2 8.538 -2.670 -3.333 1.00 8.00 C ATOM 39 O3' DA A 2 8.978 -3.438 -2.219 1.00 8.00 O ATOM 40 C2' DA A 2 7.025 -2.720 -3.497 1.00 8.00 C ATOM 41 C1' DA A 2 6.556 -1.313 -3.123 1.00 8.00 C ATOM 42 N9 DA A 2 5.657 -0.776 -4.186 1.00 8.00 N ATOM 43 C8 DA A 2 5.724 -0.930 -5.555 1.00 8.00 C ATOM 44 N7 DA A 2 4.632 -0.664 -6.204 1.00 8.00 N ATOM 45 C5 DA A 2 3.788 -0.226 -5.196 1.00 8.00 C ATOM 46 C6 DA A 2 2.494 0.299 -5.202 1.00 8.00 C ATOM 47 N6 DA A 2 1.776 0.411 -6.306 1.00 8.00 N ATOM 48 N1 DA A 2 1.936 0.713 -4.067 1.00 8.00 N ATOM 49 C2 DA A 2 2.642 0.622 -2.952 1.00 8.00 C ATOM 50 N3 DA A 2 3.869 0.149 -2.797 1.00 8.00 N ATOM 51 C4 DA A 2 4.407 -0.243 -3.976 1.00 8.00 C ATOM 0 H5' DA A 2 10.648 -0.544 -4.373 1.00 8.00 H new ATOM 0 H5'' DA A 2 9.197 -0.779 -5.328 1.00 8.00 H new ATOM 0 H4' DA A 2 9.761 -1.203 -2.502 1.00 8.00 H new ATOM 0 H3' DA A 2 9.027 -3.116 -4.199 1.00 8.00 H new ATOM 0 H2' DA A 2 6.744 -2.974 -4.519 1.00 8.00 H new ATOM 0 H2'' DA A 2 6.579 -3.473 -2.847 1.00 8.00 H new ATOM 0 H1' DA A 2 5.939 -1.296 -2.225 1.00 8.00 H new ATOM 0 H8 DA A 2 6.626 -1.251 -6.054 1.00 8.00 H new ATOM 0 H61 DA A 2 0.834 0.801 -6.265 1.00 8.00 H new ATOM 0 H62 DA A 2 2.164 0.108 -7.199 1.00 8.00 H new ATOM 0 H2 DA A 2 2.157 0.978 -2.055 1.00 8.00 H new ATOM 63 P DT A 3 8.708 -3.064 -0.664 1.00 8.00 P ATOM 64 OP1 DT A 3 9.189 -1.690 -0.367 1.00 8.00 O ATOM 65 OP2 DT A 3 9.235 -4.187 0.146 1.00 8.00 O ATOM 66 O5' DT A 3 7.118 -3.112 -0.491 1.00 8.00 O ATOM 67 C5' DT A 3 6.509 -2.588 0.671 1.00 8.00 C ATOM 68 C4' DT A 3 4.998 -2.845 0.713 1.00 8.00 C ATOM 69 O4' DT A 3 4.346 -2.225 -0.382 1.00 8.00 O ATOM 70 C3' DT A 3 4.606 -4.327 0.648 1.00 8.00 C ATOM 71 O3' DT A 3 4.232 -4.812 1.919 1.00 8.00 O ATOM 72 C2' DT A 3 3.365 -4.316 -0.245 1.00 8.00 C ATOM 73 C1' DT A 3 3.082 -2.833 -0.495 1.00 8.00 C ATOM 74 N1 DT A 3 2.556 -2.660 -1.863 1.00 8.00 N ATOM 75 C2 DT A 3 1.254 -2.217 -2.037 1.00 8.00 C ATOM 76 O2 DT A 3 0.527 -1.866 -1.120 1.00 8.00 O ATOM 77 N3 DT A 3 0.782 -2.208 -3.326 1.00 8.00 N ATOM 78 C4 DT A 3 1.460 -2.664 -4.432 1.00 8.00 C ATOM 79 O4 DT A 3 0.934 -2.593 -5.533 1.00 8.00 O ATOM 80 C5 DT A 3 2.774 -3.215 -4.157 1.00 8.00 C ATOM 81 C7 DT A 3 3.549 -4.021 -5.183 1.00 8.00 C ATOM 82 C6 DT A 3 3.271 -3.168 -2.908 1.00 8.00 C ATOM 0 H5' DT A 3 6.693 -1.515 0.720 1.00 8.00 H new ATOM 0 H5'' DT A 3 6.974 -3.032 1.552 1.00 8.00 H new ATOM 0 H4' DT A 3 4.690 -2.433 1.674 1.00 8.00 H new ATOM 0 H3' DT A 3 5.423 -4.953 0.291 1.00 8.00 H new ATOM 0 H2' DT A 3 3.544 -4.848 -1.179 1.00 8.00 H new ATOM 0 H2'' DT A 3 2.521 -4.804 0.243 1.00 8.00 H new ATOM 0 H1' DT A 3 2.350 -2.410 0.193 1.00 8.00 H new ATOM 0 H3 DT A 3 -0.153 -1.830 -3.477 1.00 8.00 H new ATOM 0 H71 DT A 3 4.618 -3.883 -5.022 1.00 8.00 H new ATOM 0 H72 DT A 3 3.300 -5.077 -5.080 1.00 8.00 H new ATOM 0 H73 DT A 3 3.286 -3.683 -6.185 1.00 8.00 H new ATOM 0 H6 DT A 3 4.267 -3.544 -2.727 1.00 8.00 H new ATOM 95 P DT A 4 5.131 -5.885 2.699 1.00 8.00 P ATOM 96 OP1 DT A 4 6.498 -5.901 2.132 1.00 8.00 O ATOM 97 OP2 DT A 4 4.344 -7.140 2.751 1.00 8.00 O ATOM 98 O5' DT A 4 5.223 -5.310 4.186 1.00 8.00 O ATOM 99 C5' DT A 4 6.144 -4.297 4.538 1.00 8.00 C ATOM 100 C4' DT A 4 5.874 -3.711 5.939 1.00 8.00 C ATOM 101 O4' DT A 4 4.641 -3.003 5.919 1.00 8.00 O ATOM 102 C3' DT A 4 5.742 -4.813 7.001 1.00 8.00 C ATOM 103 O3' DT A 4 6.012 -4.338 8.304 1.00 8.00 O ATOM 104 C2' DT A 4 4.244 -5.049 6.966 1.00 8.00 C ATOM 105 C1' DT A 4 3.718 -3.639 6.785 1.00 8.00 C ATOM 106 N1 DT A 4 2.385 -3.756 6.171 1.00 8.00 N ATOM 107 C2 DT A 4 1.278 -3.787 6.999 1.00 8.00 C ATOM 108 O2 DT A 4 1.326 -3.613 8.209 1.00 8.00 O ATOM 109 N3 DT A 4 0.074 -4.055 6.401 1.00 8.00 N ATOM 110 C4 DT A 4 -0.121 -4.297 5.063 1.00 8.00 C ATOM 111 O4 DT A 4 -1.258 -4.533 4.673 1.00 8.00 O ATOM 112 C5 DT A 4 1.085 -4.265 4.249 1.00 8.00 C ATOM 113 C7 DT A 4 1.007 -4.466 2.739 1.00 8.00 C ATOM 114 C6 DT A 4 2.282 -4.003 4.832 1.00 8.00 C ATOM 0 H5' DT A 4 6.099 -3.497 3.799 1.00 8.00 H new ATOM 0 H5'' DT A 4 7.155 -4.703 4.507 1.00 8.00 H new ATOM 0 H4' DT A 4 6.715 -3.063 6.189 1.00 8.00 H new ATOM 0 H3' DT A 4 6.407 -5.654 6.806 1.00 8.00 H new ATOM 0 H2' DT A 4 3.951 -5.704 6.145 1.00 8.00 H new ATOM 0 H2'' DT A 4 3.880 -5.507 7.885 1.00 8.00 H new ATOM 0 H1' DT A 4 3.623 -3.069 7.709 1.00 8.00 H new ATOM 0 H3 DT A 4 -0.750 -4.077 7.002 1.00 8.00 H new ATOM 0 H71 DT A 4 1.815 -3.916 2.256 1.00 8.00 H new ATOM 0 H72 DT A 4 1.102 -5.527 2.508 1.00 8.00 H new ATOM 0 H73 DT A 4 0.048 -4.099 2.372 1.00 8.00 H new ATOM 0 H6 DT A 4 3.174 -3.990 4.223 1.00 8.00 H new ATOM 127 P DC A 5 7.226 -4.895 9.180 1.00 8.00 P ATOM 128 OP1 DC A 5 7.518 -6.293 8.797 1.00 8.00 O ATOM 129 OP2 DC A 5 6.883 -4.766 10.612 1.00 8.00 O ATOM 130 O5' DC A 5 8.505 -3.997 8.878 1.00 8.00 O ATOM 131 C5' DC A 5 8.602 -2.689 9.412 1.00 8.00 C ATOM 132 C4' DC A 5 9.924 -2.030 9.006 1.00 8.00 C ATOM 133 O4' DC A 5 11.028 -2.713 9.582 1.00 8.00 O ATOM 134 C3' DC A 5 10.115 -2.064 7.493 1.00 8.00 C ATOM 135 O3' DC A 5 10.580 -0.841 6.968 1.00 8.00 O ATOM 136 C2' DC A 5 11.175 -3.111 7.274 1.00 8.00 C ATOM 137 C1' DC A 5 11.973 -2.993 8.566 1.00 8.00 C ATOM 138 N1 DC A 5 12.606 -4.293 8.864 1.00 8.00 N ATOM 139 C2 DC A 5 13.986 -4.403 8.800 1.00 8.00 C ATOM 140 O2 DC A 5 14.684 -3.435 8.524 1.00 8.00 O ATOM 141 N3 DC A 5 14.563 -5.606 9.038 1.00 8.00 N ATOM 142 C4 DC A 5 13.806 -6.647 9.318 1.00 8.00 C ATOM 143 N4 DC A 5 14.438 -7.780 9.516 1.00 8.00 N ATOM 144 C5 DC A 5 12.387 -6.585 9.375 1.00 8.00 C ATOM 145 C6 DC A 5 11.826 -5.379 9.141 1.00 8.00 C ATOM 0 H5' DC A 5 8.530 -2.729 10.499 1.00 8.00 H new ATOM 0 H5'' DC A 5 7.766 -2.085 9.059 1.00 8.00 H new ATOM 0 H4' DC A 5 9.880 -1.000 9.360 1.00 8.00 H new ATOM 0 H3' DC A 5 9.166 -2.267 6.998 1.00 8.00 H new ATOM 0 H2' DC A 5 10.750 -4.106 7.141 1.00 8.00 H new ATOM 0 H2'' DC A 5 11.783 -2.904 6.393 1.00 8.00 H new ATOM 0 H1' DC A 5 12.743 -2.225 8.494 1.00 8.00 H new ATOM 0 H41 DC A 5 13.912 -8.626 9.737 1.00 8.00 H new ATOM 0 H42 DC A 5 15.455 -7.815 9.449 1.00 8.00 H new ATOM 0 H5 DC A 5 11.789 -7.457 9.594 1.00 8.00 H new ATOM 0 H6 DC A 5 10.752 -5.273 9.173 1.00 8.00 H new ATOM 157 P DA A 6 9.532 0.307 6.602 1.00 8.00 P ATOM 158 OP1 DA A 6 10.199 1.365 5.796 1.00 8.00 O ATOM 159 OP2 DA A 6 8.776 0.680 7.809 1.00 8.00 O ATOM 160 O5' DA A 6 8.547 -0.502 5.630 1.00 8.00 O ATOM 161 C5' DA A 6 9.030 -1.281 4.550 1.00 8.00 C ATOM 162 C4' DA A 6 8.316 -0.872 3.263 1.00 8.00 C ATOM 163 O4' DA A 6 6.943 -1.156 3.416 1.00 8.00 O ATOM 164 C3' DA A 6 8.469 0.627 3.028 1.00 8.00 C ATOM 165 O3' DA A 6 8.738 0.913 1.679 1.00 8.00 O ATOM 166 C2' DA A 6 7.166 1.234 3.553 1.00 8.00 C ATOM 167 C1' DA A 6 6.216 0.048 3.498 1.00 8.00 C ATOM 168 N9 DA A 6 5.301 0.001 4.651 1.00 8.00 N ATOM 169 C8 DA A 6 5.500 0.237 5.993 1.00 8.00 C ATOM 170 N7 DA A 6 4.421 0.112 6.721 1.00 8.00 N ATOM 171 C5 DA A 6 3.456 -0.272 5.790 1.00 8.00 C ATOM 172 C6 DA A 6 2.096 -0.603 5.848 1.00 8.00 C ATOM 173 N6 DA A 6 1.374 -0.639 6.956 1.00 8.00 N ATOM 174 N1 DA A 6 1.447 -0.923 4.731 1.00 8.00 N ATOM 175 C2 DA A 6 2.106 -0.930 3.585 1.00 8.00 C ATOM 176 N3 DA A 6 3.374 -0.662 3.384 1.00 8.00 N ATOM 177 C4 DA A 6 3.996 -0.352 4.540 1.00 8.00 C ATOM 0 H5' DA A 6 8.864 -2.340 4.749 1.00 8.00 H new ATOM 0 H5'' DA A 6 10.106 -1.142 4.441 1.00 8.00 H new ATOM 0 H4' DA A 6 8.745 -1.415 2.421 1.00 8.00 H new ATOM 0 H3' DA A 6 9.324 1.058 3.549 1.00 8.00 H new ATOM 0 H2' DA A 6 7.276 1.621 4.566 1.00 8.00 H new ATOM 0 H2'' DA A 6 6.822 2.061 2.931 1.00 8.00 H new ATOM 0 H1' DA A 6 5.605 0.173 2.604 1.00 8.00 H new ATOM 0 H8 DA A 6 6.462 0.502 6.407 1.00 8.00 H new ATOM 0 H61 DA A 6 0.386 -0.890 6.913 1.00 8.00 H new ATOM 0 H62 DA A 6 1.805 -0.415 7.853 1.00 8.00 H new ATOM 0 H2 DA A 6 1.531 -1.188 2.708 1.00 8.00 H new ATOM 189 P DT A 7 8.924 2.417 1.220 1.00 8.00 P ATOM 190 OP1 DT A 7 9.690 2.395 -0.047 1.00 8.00 O ATOM 191 OP2 DT A 7 9.405 3.205 2.381 1.00 8.00 O ATOM 192 O5' DT A 7 7.440 2.813 0.836 1.00 8.00 O ATOM 193 C5' DT A 7 6.766 2.087 -0.177 1.00 8.00 C ATOM 194 C4' DT A 7 5.286 2.451 -0.233 1.00 8.00 C ATOM 195 O4' DT A 7 4.600 1.853 0.848 1.00 8.00 O ATOM 196 C3' DT A 7 5.003 3.954 -0.149 1.00 8.00 C ATOM 197 O3' DT A 7 4.716 4.503 -1.418 1.00 8.00 O ATOM 198 C2' DT A 7 3.771 3.991 0.754 1.00 8.00 C ATOM 199 C1' DT A 7 3.373 2.530 0.950 1.00 8.00 C ATOM 200 N1 DT A 7 2.820 2.351 2.304 1.00 8.00 N ATOM 201 C2 DT A 7 1.468 2.103 2.457 1.00 8.00 C ATOM 202 O2 DT A 7 0.706 1.881 1.529 1.00 8.00 O ATOM 203 N3 DT A 7 0.989 2.148 3.742 1.00 8.00 N ATOM 204 C4 DT A 7 1.700 2.507 4.859 1.00 8.00 C ATOM 205 O4 DT A 7 1.128 2.540 5.942 1.00 8.00 O ATOM 206 C5 DT A 7 3.093 2.830 4.611 1.00 8.00 C ATOM 207 C7 DT A 7 3.970 3.502 5.649 1.00 8.00 C ATOM 208 C6 DT A 7 3.594 2.708 3.367 1.00 8.00 C ATOM 0 H5' DT A 7 6.872 1.018 0.008 1.00 8.00 H new ATOM 0 H5'' DT A 7 7.229 2.291 -1.142 1.00 8.00 H new ATOM 0 H4' DT A 7 4.946 2.089 -1.203 1.00 8.00 H new ATOM 0 H3' DT A 7 5.847 4.536 0.222 1.00 8.00 H new ATOM 0 H2' DT A 7 3.996 4.469 1.707 1.00 8.00 H new ATOM 0 H2'' DT A 7 2.963 4.561 0.295 1.00 8.00 H new ATOM 0 H1' DT A 7 2.623 2.181 0.240 1.00 8.00 H new ATOM 0 H3 DT A 7 0.012 1.890 3.880 1.00 8.00 H new ATOM 0 H71 DT A 7 5.004 3.187 5.511 1.00 8.00 H new ATOM 0 H72 DT A 7 3.903 4.584 5.537 1.00 8.00 H new ATOM 0 H73 DT A 7 3.635 3.219 6.647 1.00 8.00 H new ATOM 0 H6 DT A 7 4.645 2.900 3.206 1.00 8.00 H new ATOM 221 P DT A 8 5.879 5.199 -2.283 1.00 8.00 P ATOM 222 OP1 DT A 8 7.195 4.864 -1.692 1.00 8.00 O ATOM 223 OP2 DT A 8 5.504 6.625 -2.435 1.00 8.00 O ATOM 224 O5' DT A 8 5.810 4.533 -3.738 1.00 8.00 O ATOM 225 C5' DT A 8 6.469 3.316 -4.039 1.00 8.00 C ATOM 226 C4' DT A 8 6.044 2.712 -5.390 1.00 8.00 C ATOM 227 O4' DT A 8 4.672 2.381 -5.345 1.00 8.00 O ATOM 228 C3' DT A 8 6.227 3.642 -6.585 1.00 8.00 C ATOM 229 O3' DT A 8 6.362 2.825 -7.733 1.00 8.00 O ATOM 230 C2' DT A 8 4.864 4.316 -6.601 1.00 8.00 C ATOM 231 C1' DT A 8 3.964 3.134 -6.308 1.00 8.00 C ATOM 232 N1 DT A 8 2.695 3.605 -5.726 1.00 8.00 N ATOM 233 C2 DT A 8 1.585 3.725 -6.542 1.00 8.00 C ATOM 234 O2 DT A 8 1.600 3.510 -7.746 1.00 8.00 O ATOM 235 N3 DT A 8 0.424 4.136 -5.934 1.00 8.00 N ATOM 236 C4 DT A 8 0.265 4.385 -4.591 1.00 8.00 C ATOM 237 O4 DT A 8 -0.852 4.679 -4.180 1.00 8.00 O ATOM 238 C5 DT A 8 1.479 4.266 -3.796 1.00 8.00 C ATOM 239 C7 DT A 8 1.454 4.467 -2.287 1.00 8.00 C ATOM 240 C6 DT A 8 2.636 3.893 -4.394 1.00 8.00 C ATOM 0 H5' DT A 8 6.266 2.595 -3.247 1.00 8.00 H new ATOM 0 H5'' DT A 8 7.546 3.486 -4.047 1.00 8.00 H new ATOM 0 H4' DT A 8 6.692 1.847 -5.532 1.00 8.00 H new ATOM 0 H3' DT A 8 7.075 4.326 -6.550 1.00 8.00 H new ATOM 0 H2' DT A 8 4.780 5.098 -5.846 1.00 8.00 H new ATOM 0 H2'' DT A 8 4.642 4.777 -7.563 1.00 8.00 H new ATOM 0 H1' DT A 8 3.727 2.559 -7.203 1.00 8.00 H new ATOM 0 H3 DT A 8 -0.392 4.268 -6.531 1.00 8.00 H new ATOM 0 H71 DT A 8 2.232 3.858 -1.826 1.00 8.00 H new ATOM 0 H72 DT A 8 1.632 5.518 -2.057 1.00 8.00 H new ATOM 0 H73 DT A 8 0.481 4.170 -1.896 1.00 8.00 H new ATOM 0 H6 DT A 8 3.535 3.822 -3.800 1.00 8.00 H new TER 253 DT A 8 ATOM 254 P DC B 1 -6.915 -6.362 -7.719 1.00 8.00 P ATOM 255 OP1 DC B 1 -8.219 -6.765 -7.129 1.00 8.00 O ATOM 256 OP2 DC B 1 -5.840 -7.360 -7.870 1.00 8.00 O ATOM 257 O5' DC B 1 -7.213 -5.624 -9.128 1.00 8.00 O ATOM 258 C5' DC B 1 -6.782 -4.290 -9.416 1.00 8.00 C ATOM 259 C4' DC B 1 -7.903 -3.229 -9.329 1.00 8.00 C ATOM 260 O4' DC B 1 -8.828 -3.523 -10.366 1.00 8.00 O ATOM 261 C3' DC B 1 -8.725 -3.274 -8.024 1.00 8.00 C ATOM 262 O3' DC B 1 -8.617 -2.311 -7.023 1.00 8.00 O ATOM 263 C2' DC B 1 -10.182 -3.291 -8.447 1.00 8.00 C ATOM 264 C1' DC B 1 -10.139 -3.183 -9.966 1.00 8.00 C ATOM 265 N1 DC B 1 -11.082 -4.155 -10.552 1.00 8.00 N ATOM 266 C2 DC B 1 -12.228 -3.692 -11.181 1.00 8.00 C ATOM 267 O2 DC B 1 -12.456 -2.492 -11.275 1.00 8.00 O ATOM 268 N3 DC B 1 -13.106 -4.587 -11.694 1.00 8.00 N ATOM 269 C4 DC B 1 -12.862 -5.878 -11.582 1.00 8.00 C ATOM 270 N4 DC B 1 -13.762 -6.685 -12.094 1.00 8.00 N ATOM 271 C5 DC B 1 -11.710 -6.397 -10.928 1.00 8.00 C ATOM 272 C6 DC B 1 -10.841 -5.492 -10.429 1.00 8.00 C ATOM 0 H5' DC B 1 -6.353 -4.267 -10.418 1.00 8.00 H new ATOM 0 H5'' DC B 1 -5.986 -4.019 -8.722 1.00 8.00 H new ATOM 0 H4' DC B 1 -7.418 -2.255 -9.392 1.00 8.00 H new ATOM 0 H3' DC B 1 -8.296 -4.143 -7.526 1.00 8.00 H new ATOM 0 H2' DC B 1 -10.677 -4.208 -8.128 1.00 8.00 H new ATOM 0 H2'' DC B 1 -10.733 -2.461 -8.005 1.00 8.00 H new ATOM 0 H1' DC B 1 -10.409 -2.179 -10.294 1.00 8.00 H new ATOM 0 H41 DC B 1 -13.631 -7.695 -12.040 1.00 8.00 H new ATOM 0 H42 DC B 1 -14.592 -6.302 -12.546 1.00 8.00 H new ATOM 0 H5 DC B 1 -11.539 -7.459 -10.835 1.00 8.00 H new ATOM 0 H6 DC B 1 -9.946 -5.830 -9.928 1.00 8.00 H new ATOM 284 P DA B 2 -9.369 -2.631 -5.630 1.00 8.00 P ATOM 285 OP1 DA B 2 -8.945 -3.963 -5.138 1.00 8.00 O ATOM 286 OP2 DA B 2 -10.818 -2.410 -5.782 1.00 8.00 O ATOM 287 O5' DA B 2 -8.760 -1.489 -4.731 1.00 8.00 O ATOM 288 C5' DA B 2 -9.572 -0.372 -4.527 1.00 8.00 C ATOM 289 C4' DA B 2 -8.987 0.648 -3.535 1.00 8.00 C ATOM 290 O4' DA B 2 -7.876 0.043 -2.866 1.00 8.00 O ATOM 291 C3' DA B 2 -8.456 1.971 -4.111 1.00 8.00 C ATOM 292 O3' DA B 2 -8.821 3.140 -3.394 1.00 8.00 O ATOM 293 C2' DA B 2 -6.953 1.805 -4.201 1.00 8.00 C ATOM 294 C1' DA B 2 -6.640 0.567 -3.355 1.00 8.00 C ATOM 295 N9 DA B 2 -5.763 -0.343 -4.143 1.00 8.00 N ATOM 296 C8 DA B 2 -5.804 -0.607 -5.496 1.00 8.00 C ATOM 297 N7 DA B 2 -4.659 -0.906 -6.034 1.00 8.00 N ATOM 298 C5 DA B 2 -3.824 -0.985 -4.930 1.00 8.00 C ATOM 299 C6 DA B 2 -2.488 -1.364 -4.774 1.00 8.00 C ATOM 300 N6 DA B 2 -1.720 -1.653 -5.809 1.00 8.00 N ATOM 301 N1 DA B 2 -1.948 -1.458 -3.559 1.00 8.00 N ATOM 302 C2 DA B 2 -2.718 -1.178 -2.516 1.00 8.00 C ATOM 303 N3 DA B 2 -3.985 -0.786 -2.516 1.00 8.00 N ATOM 304 C4 DA B 2 -4.497 -0.731 -3.770 1.00 8.00 C ATOM 0 H5' DA B 2 -10.544 -0.703 -4.162 1.00 8.00 H new ATOM 0 H5'' DA B 2 -9.742 0.122 -5.484 1.00 8.00 H new ATOM 0 H4' DA B 2 -9.836 0.906 -2.903 1.00 8.00 H new ATOM 0 H3' DA B 2 -8.918 2.144 -5.083 1.00 8.00 H new ATOM 0 H2' DA B 2 -6.632 1.669 -5.234 1.00 8.00 H new ATOM 0 H2'' DA B 2 -6.435 2.685 -3.820 1.00 8.00 H new ATOM 0 H1' DA B 2 -6.057 0.773 -2.458 1.00 8.00 H new ATOM 0 H8 DA B 2 -6.720 -0.568 -6.067 1.00 8.00 H new ATOM 0 H61 DA B 2 -0.748 -1.927 -5.662 1.00 8.00 H new ATOM 0 H62 DA B 2 -2.099 -1.603 -6.755 1.00 8.00 H new ATOM 0 H2 DA B 2 -2.256 -1.282 -1.546 1.00 8.00 H new ATOM 316 P DT B 3 -8.591 3.365 -1.817 1.00 8.00 P ATOM 317 OP1 DT B 3 -9.201 2.246 -1.069 1.00 8.00 O ATOM 318 OP2 DT B 3 -8.994 4.751 -1.489 1.00 8.00 O ATOM 319 O5' DT B 3 -7.016 3.277 -1.576 1.00 8.00 O ATOM 320 C5' DT B 3 -6.505 2.888 -0.317 1.00 8.00 C ATOM 321 C4' DT B 3 -4.979 3.012 -0.270 1.00 8.00 C ATOM 322 O4' DT B 3 -4.384 2.136 -1.209 1.00 8.00 O ATOM 323 C3' DT B 3 -4.482 4.419 -0.622 1.00 8.00 C ATOM 324 O3' DT B 3 -4.083 5.156 0.518 1.00 8.00 O ATOM 325 C2' DT B 3 -3.261 4.119 -1.489 1.00 8.00 C ATOM 326 C1' DT B 3 -3.075 2.606 -1.417 1.00 8.00 C ATOM 327 N1 DT B 3 -2.553 2.129 -2.708 1.00 8.00 N ATOM 328 C2 DT B 3 -1.238 1.713 -2.791 1.00 8.00 C ATOM 329 O2 DT B 3 -0.504 1.579 -1.823 1.00 8.00 O ATOM 330 N3 DT B 3 -0.761 1.466 -4.052 1.00 8.00 N ATOM 331 C4 DT B 3 -1.439 1.666 -5.230 1.00 8.00 C ATOM 332 O4 DT B 3 -0.881 1.421 -6.292 1.00 8.00 O ATOM 333 C5 DT B 3 -2.782 2.192 -5.068 1.00 8.00 C ATOM 334 C7 DT B 3 -3.607 2.703 -6.232 1.00 8.00 C ATOM 335 C6 DT B 3 -3.281 2.381 -3.833 1.00 8.00 C ATOM 0 H5' DT B 3 -6.794 1.858 -0.108 1.00 8.00 H new ATOM 0 H5'' DT B 3 -6.946 3.508 0.464 1.00 8.00 H new ATOM 0 H4' DT B 3 -4.700 2.770 0.755 1.00 8.00 H new ATOM 0 H3' DT B 3 -5.254 5.024 -1.099 1.00 8.00 H new ATOM 0 H2' DT B 3 -3.419 4.447 -2.516 1.00 8.00 H new ATOM 0 H2'' DT B 3 -2.379 4.641 -1.119 1.00 8.00 H new ATOM 0 H1' DT B 3 -2.381 2.275 -0.645 1.00 8.00 H new ATOM 0 H3 DT B 3 0.188 1.099 -4.123 1.00 8.00 H new ATOM 0 H71 DT B 3 -2.945 3.106 -6.998 1.00 8.00 H new ATOM 0 H72 DT B 3 -4.191 1.884 -6.651 1.00 8.00 H new ATOM 0 H73 DT B 3 -4.280 3.487 -5.885 1.00 8.00 H new ATOM 0 H6 DT B 3 -4.293 2.745 -3.729 1.00 8.00 H new ATOM 348 P DT B 4 -5.021 6.295 1.157 1.00 8.00 P ATOM 349 OP1 DT B 4 -6.341 6.313 0.490 1.00 8.00 O ATOM 350 OP2 DT B 4 -4.233 7.547 1.232 1.00 8.00 O ATOM 351 O5' DT B 4 -5.249 5.870 2.681 1.00 8.00 O ATOM 352 C5' DT B 4 -6.158 4.857 3.063 1.00 8.00 C ATOM 353 C4' DT B 4 -5.896 4.349 4.491 1.00 8.00 C ATOM 354 O4' DT B 4 -4.599 3.784 4.569 1.00 8.00 O ATOM 355 C3' DT B 4 -5.925 5.457 5.541 1.00 8.00 C ATOM 356 O3' DT B 4 -6.285 4.808 6.738 1.00 8.00 O ATOM 357 C2' DT B 4 -4.463 5.877 5.545 1.00 8.00 C ATOM 358 C1' DT B 4 -3.786 4.534 5.458 1.00 8.00 C ATOM 359 N1 DT B 4 -2.438 4.736 4.901 1.00 8.00 N ATOM 360 C2 DT B 4 -1.372 4.908 5.764 1.00 8.00 C ATOM 361 O2 DT B 4 -1.476 4.897 6.983 1.00 8.00 O ATOM 362 N3 DT B 4 -0.148 5.125 5.183 1.00 8.00 N ATOM 363 C4 DT B 4 0.110 5.139 3.834 1.00 8.00 C ATOM 364 O4 DT B 4 1.268 5.286 3.461 1.00 8.00 O ATOM 365 C5 DT B 4 -1.063 4.984 2.984 1.00 8.00 C ATOM 366 C7 DT B 4 -0.932 4.932 1.467 1.00 8.00 C ATOM 367 C6 DT B 4 -2.280 4.800 3.550 1.00 8.00 C ATOM 0 H5' DT B 4 -6.086 4.024 2.364 1.00 8.00 H new ATOM 0 H5'' DT B 4 -7.176 5.241 2.997 1.00 8.00 H new ATOM 0 H4' DT B 4 -6.690 3.630 4.694 1.00 8.00 H new ATOM 0 H3' DT B 4 -6.597 6.301 5.388 1.00 8.00 H new ATOM 0 H2' DT B 4 -4.215 6.521 4.701 1.00 8.00 H new ATOM 0 H2'' DT B 4 -4.191 6.420 6.450 1.00 8.00 H new ATOM 0 H1' DT B 4 -3.678 4.027 6.417 1.00 8.00 H new ATOM 0 H3 DT B 4 0.640 5.291 5.809 1.00 8.00 H new ATOM 0 H71 DT B 4 -1.731 4.317 1.054 1.00 8.00 H new ATOM 0 H72 DT B 4 -1.004 5.941 1.061 1.00 8.00 H new ATOM 0 H73 DT B 4 0.033 4.501 1.200 1.00 8.00 H new ATOM 0 H6 DT B 4 -3.147 4.702 2.914 1.00 8.00 H new ATOM 380 P DC B 5 -6.293 5.539 8.151 1.00 8.00 P ATOM 381 OP1 DC B 5 -5.974 6.970 7.998 1.00 8.00 O ATOM 382 OP2 DC B 5 -5.506 4.626 9.009 1.00 8.00 O ATOM 383 O5' DC B 5 -7.820 5.338 8.536 1.00 8.00 O ATOM 384 C5' DC B 5 -8.857 5.965 7.819 1.00 8.00 C ATOM 385 C4' DC B 5 -9.994 4.946 7.674 1.00 8.00 C ATOM 386 O4' DC B 5 -11.248 5.610 7.759 1.00 8.00 O ATOM 387 C3' DC B 5 -9.975 4.206 6.342 1.00 8.00 C ATOM 388 O3' DC B 5 -10.361 2.866 6.514 1.00 8.00 O ATOM 389 C2' DC B 5 -11.063 4.869 5.534 1.00 8.00 C ATOM 390 C1' DC B 5 -12.039 5.273 6.634 1.00 8.00 C ATOM 391 N1 DC B 5 -12.784 6.471 6.200 1.00 8.00 N ATOM 392 C2 DC B 5 -14.145 6.371 5.953 1.00 8.00 C ATOM 393 O2 DC B 5 -14.736 5.309 6.108 1.00 8.00 O ATOM 394 N3 DC B 5 -14.819 7.465 5.522 1.00 8.00 N ATOM 395 C4 DC B 5 -14.173 8.599 5.340 1.00 8.00 C ATOM 396 N4 DC B 5 -14.890 9.608 4.906 1.00 8.00 N ATOM 397 C5 DC B 5 -12.774 8.740 5.554 1.00 8.00 C ATOM 398 C6 DC B 5 -12.118 7.644 5.991 1.00 8.00 C ATOM 0 H5' DC B 5 -8.505 6.290 6.840 1.00 8.00 H new ATOM 0 H5'' DC B 5 -9.204 6.855 8.344 1.00 8.00 H new ATOM 0 H4' DC B 5 -9.851 4.224 8.478 1.00 8.00 H new ATOM 0 H3' DC B 5 -8.984 4.234 5.889 1.00 8.00 H new ATOM 0 H2' DC B 5 -10.695 5.728 4.974 1.00 8.00 H new ATOM 0 H2'' DC B 5 -11.514 4.188 4.813 1.00 8.00 H new ATOM 0 H1' DC B 5 -12.745 4.474 6.859 1.00 8.00 H new ATOM 0 H41 DC B 5 -14.450 10.514 4.745 1.00 8.00 H new ATOM 0 H42 DC B 5 -15.887 9.487 4.730 1.00 8.00 H new ATOM 0 H5 DC B 5 -12.263 9.675 5.376 1.00 8.00 H new ATOM 0 H6 DC B 5 -11.055 7.696 6.177 1.00 8.00 H new ATOM 410 P DA B 6 -9.271 1.726 6.694 1.00 8.00 P ATOM 411 OP1 DA B 6 -9.972 0.425 6.827 1.00 8.00 O ATOM 412 OP2 DA B 6 -8.241 2.128 7.684 1.00 8.00 O ATOM 413 O5' DA B 6 -8.560 1.734 5.264 1.00 8.00 O ATOM 414 C5' DA B 6 -9.291 1.643 4.061 1.00 8.00 C ATOM 415 C4' DA B 6 -8.710 0.565 3.142 1.00 8.00 C ATOM 416 O4' DA B 6 -7.375 0.947 2.877 1.00 8.00 O ATOM 417 C3' DA B 6 -8.699 -0.828 3.792 1.00 8.00 C ATOM 418 O3' DA B 6 -9.348 -1.907 3.145 1.00 8.00 O ATOM 419 C2' DA B 6 -7.246 -1.123 4.120 1.00 8.00 C ATOM 420 C1' DA B 6 -6.480 0.030 3.473 1.00 8.00 C ATOM 421 N9 DA B 6 -5.581 0.658 4.462 1.00 8.00 N ATOM 422 C8 DA B 6 -5.750 0.899 5.805 1.00 8.00 C ATOM 423 N7 DA B 6 -4.668 1.245 6.447 1.00 8.00 N ATOM 424 C5 DA B 6 -3.713 1.264 5.422 1.00 8.00 C ATOM 425 C6 DA B 6 -2.346 1.575 5.348 1.00 8.00 C ATOM 426 N6 DA B 6 -1.602 1.857 6.402 1.00 8.00 N ATOM 427 N1 DA B 6 -1.735 1.633 4.163 1.00 8.00 N ATOM 428 C2 DA B 6 -2.434 1.346 3.075 1.00 8.00 C ATOM 429 N3 DA B 6 -3.696 0.982 2.998 1.00 8.00 N ATOM 430 C4 DA B 6 -4.282 0.979 4.213 1.00 8.00 C ATOM 0 H5' DA B 6 -9.278 2.606 3.550 1.00 8.00 H new ATOM 0 H5'' DA B 6 -10.333 1.413 4.282 1.00 8.00 H new ATOM 0 H4' DA B 6 -9.324 0.492 2.245 1.00 8.00 H new ATOM 0 H3' DA B 6 -9.346 -0.762 4.667 1.00 8.00 H new ATOM 0 H2' DA B 6 -7.079 -1.159 5.197 1.00 8.00 H new ATOM 0 H2'' DA B 6 -6.933 -2.086 3.717 1.00 8.00 H new ATOM 0 H1' DA B 6 -5.851 -0.352 2.669 1.00 8.00 H new ATOM 0 H8 DA B 6 -6.709 0.808 6.293 1.00 8.00 H new ATOM 0 H61 DA B 6 -0.613 2.075 6.284 1.00 8.00 H new ATOM 0 H62 DA B 6 -2.017 1.856 7.334 1.00 8.00 H new ATOM 0 H2 DA B 6 -1.904 1.420 2.137 1.00 8.00 H new ATOM 442 P DT B 7 -9.032 -2.391 1.645 1.00 8.00 P ATOM 443 OP1 DT B 7 -9.366 -1.293 0.718 1.00 8.00 O ATOM 444 OP2 DT B 7 -9.681 -3.707 1.449 1.00 8.00 O ATOM 445 O5' DT B 7 -7.459 -2.658 1.519 1.00 8.00 O ATOM 446 C5' DT B 7 -6.774 -2.391 0.308 1.00 8.00 C ATOM 447 C4' DT B 7 -5.294 -2.791 0.365 1.00 8.00 C ATOM 448 O4' DT B 7 -4.631 -1.961 1.300 1.00 8.00 O ATOM 449 C3' DT B 7 -5.026 -4.236 0.819 1.00 8.00 C ATOM 450 O3' DT B 7 -4.715 -5.132 -0.232 1.00 8.00 O ATOM 451 C2' DT B 7 -3.803 -4.075 1.727 1.00 8.00 C ATOM 452 C1' DT B 7 -3.425 -2.595 1.642 1.00 8.00 C ATOM 453 N1 DT B 7 -2.958 -2.126 2.958 1.00 8.00 N ATOM 454 C2 DT B 7 -1.647 -1.722 3.103 1.00 8.00 C ATOM 455 O2 DT B 7 -0.864 -1.608 2.174 1.00 8.00 O ATOM 456 N3 DT B 7 -1.242 -1.451 4.384 1.00 8.00 N ATOM 457 C4 DT B 7 -1.958 -1.645 5.533 1.00 8.00 C ATOM 458 O4 DT B 7 -1.420 -1.422 6.613 1.00 8.00 O ATOM 459 C5 DT B 7 -3.314 -2.117 5.309 1.00 8.00 C ATOM 460 C7 DT B 7 -4.214 -2.583 6.437 1.00 8.00 C ATOM 461 C6 DT B 7 -3.753 -2.312 4.049 1.00 8.00 C ATOM 0 H5' DT B 7 -6.850 -1.328 0.079 1.00 8.00 H new ATOM 0 H5'' DT B 7 -7.260 -2.928 -0.506 1.00 8.00 H new ATOM 0 H4' DT B 7 -4.935 -2.688 -0.659 1.00 8.00 H new ATOM 0 H3' DT B 7 -5.911 -4.668 1.286 1.00 8.00 H new ATOM 0 H2' DT B 7 -4.035 -4.363 2.752 1.00 8.00 H new ATOM 0 H2'' DT B 7 -2.981 -4.710 1.395 1.00 8.00 H new ATOM 0 H1' DT B 7 -2.626 -2.395 0.928 1.00 8.00 H new ATOM 0 H3 DT B 7 -0.305 -1.063 4.492 1.00 8.00 H new ATOM 0 H71 DT B 7 -5.254 -2.384 6.179 1.00 8.00 H new ATOM 0 H72 DT B 7 -4.077 -3.653 6.593 1.00 8.00 H new ATOM 0 H73 DT B 7 -3.958 -2.047 7.351 1.00 8.00 H new ATOM 0 H6 DT B 7 -4.775 -2.628 3.899 1.00 8.00 H new ATOM 474 P DT B 8 -5.822 -5.537 -1.324 1.00 8.00 P ATOM 475 OP1 DT B 8 -7.150 -5.571 -0.669 1.00 8.00 O ATOM 476 OP2 DT B 8 -5.357 -6.740 -2.060 1.00 8.00 O ATOM 477 O5' DT B 8 -5.764 -4.279 -2.316 1.00 8.00 O ATOM 478 C5' DT B 8 -6.728 -4.022 -3.320 1.00 8.00 C ATOM 479 C4' DT B 8 -6.140 -3.981 -4.751 1.00 8.00 C ATOM 480 O4' DT B 8 -4.788 -3.558 -4.725 1.00 8.00 O ATOM 481 C3' DT B 8 -6.151 -5.356 -5.424 1.00 8.00 C ATOM 482 O3' DT B 8 -6.370 -5.182 -6.798 1.00 8.00 O ATOM 483 C2' DT B 8 -4.716 -5.785 -5.217 1.00 8.00 C ATOM 484 C1' DT B 8 -3.979 -4.479 -5.423 1.00 8.00 C ATOM 485 N1 DT B 8 -2.667 -4.605 -4.759 1.00 8.00 N ATOM 486 C2 DT B 8 -1.552 -4.907 -5.519 1.00 8.00 C ATOM 487 O2 DT B 8 -1.554 -4.954 -6.740 1.00 8.00 O ATOM 488 N3 DT B 8 -0.405 -5.199 -4.825 1.00 8.00 N ATOM 489 C4 DT B 8 -0.263 -5.185 -3.457 1.00 8.00 C ATOM 490 O4 DT B 8 0.834 -5.450 -2.979 1.00 8.00 O ATOM 491 C5 DT B 8 -1.473 -4.856 -2.719 1.00 8.00 C ATOM 492 C7 DT B 8 -1.473 -4.784 -1.196 1.00 8.00 C ATOM 493 C6 DT B 8 -2.615 -4.585 -3.396 1.00 8.00 C ATOM 0 H5' DT B 8 -7.214 -3.070 -3.109 1.00 8.00 H new ATOM 0 H5'' DT B 8 -7.500 -4.791 -3.276 1.00 8.00 H new ATOM 0 H4' DT B 8 -6.769 -3.287 -5.309 1.00 8.00 H new ATOM 0 H3' DT B 8 -6.902 -6.049 -5.045 1.00 8.00 H new ATOM 0 H2' DT B 8 -4.550 -6.197 -4.222 1.00 8.00 H new ATOM 0 H2'' DT B 8 -4.408 -6.547 -5.933 1.00 8.00 H new ATOM 0 H1' DT B 8 -3.814 -4.195 -6.462 1.00 8.00 H new ATOM 0 H3 DT B 8 0.418 -5.449 -5.374 1.00 8.00 H new ATOM 0 H71 DT B 8 -2.216 -4.058 -0.866 1.00 8.00 H new ATOM 0 H72 DT B 8 -1.715 -5.764 -0.785 1.00 8.00 H new ATOM 0 H73 DT B 8 -0.487 -4.478 -0.846 1.00 8.00 H new ATOM 0 H6 DT B 8 -3.510 -4.346 -2.840 1.00 8.00 H new TER 506 DT B 8