USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 182 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DC O5' : rot 30:sc= 0.00315 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.72! (180deg=-1.72!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 34:sc= 0.00609 USER MOD Single : B 4 DT C7 :methyl 150:sc= -1.86! (180deg=-1.86!) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 2.524 -9.502 -1.017 1.00 0.00 O ATOM 2 C5' DC A 1 3.809 -8.961 -1.242 1.00 0.00 C ATOM 3 C4' DC A 1 4.138 -7.885 -0.203 1.00 0.00 C ATOM 4 O4' DC A 1 3.193 -6.835 -0.240 1.00 0.00 O ATOM 5 C3' DC A 1 4.227 -8.402 1.237 1.00 0.00 C ATOM 6 O3' DC A 1 5.617 -8.583 1.478 1.00 0.00 O ATOM 7 C2' DC A 1 3.546 -7.252 2.031 1.00 0.00 C ATOM 8 C1' DC A 1 3.295 -6.152 0.989 1.00 0.00 C ATOM 9 N1 DC A 1 2.079 -5.339 1.239 1.00 0.00 N ATOM 10 C2 DC A 1 2.138 -3.943 1.301 1.00 0.00 C ATOM 11 O2 DC A 1 3.206 -3.341 1.222 1.00 0.00 O ATOM 12 N3 DC A 1 0.969 -3.251 1.454 1.00 0.00 N ATOM 13 C4 DC A 1 -0.210 -3.890 1.542 1.00 0.00 C ATOM 14 N4 DC A 1 -1.328 -3.172 1.699 1.00 0.00 N ATOM 15 C5 DC A 1 -0.291 -5.318 1.411 1.00 0.00 C ATOM 16 C6 DC A 1 0.878 -5.978 1.256 1.00 0.00 C ATOM 0 H5' DC A 1 3.857 -8.533 -2.243 1.00 0.00 H new ATOM 0 H5'' DC A 1 4.555 -9.755 -1.198 1.00 0.00 H new ATOM 0 H4' DC A 1 5.129 -7.529 -0.485 1.00 0.00 H new ATOM 0 H3' DC A 1 3.748 -9.347 1.495 1.00 0.00 H new ATOM 0 H2' DC A 1 2.614 -7.584 2.488 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.186 -6.895 2.837 1.00 0.00 H new ATOM 0 HO5' DC A 1 1.950 -8.822 -0.605 1.00 0.00 H new ATOM 0 H1' DC A 1 4.106 -5.425 1.017 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.231 -3.642 1.767 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.278 -2.155 1.750 1.00 0.00 H new ATOM 0 H5 DC A 1 -1.237 -5.838 1.435 1.00 0.00 H new ATOM 0 H6 DC A 1 0.858 -7.052 1.141 1.00 0.00 H new ATOM 29 P DG A 2 6.301 -8.591 2.937 1.00 0.00 P ATOM 30 OP1 DG A 2 7.658 -9.164 2.802 1.00 0.00 O ATOM 31 OP2 DG A 2 5.346 -9.178 3.903 1.00 0.00 O ATOM 32 O5' DG A 2 6.453 -7.015 3.259 1.00 0.00 O ATOM 33 C5' DG A 2 7.057 -6.111 2.347 1.00 0.00 C ATOM 34 C4' DG A 2 7.163 -4.714 2.943 1.00 0.00 C ATOM 35 O4' DG A 2 5.891 -4.095 2.834 1.00 0.00 O ATOM 36 C3' DG A 2 7.598 -4.704 4.416 1.00 0.00 C ATOM 37 O3' DG A 2 8.564 -3.683 4.563 1.00 0.00 O ATOM 38 C2' DG A 2 6.244 -4.457 5.064 1.00 0.00 C ATOM 39 C1' DG A 2 5.617 -3.492 4.070 1.00 0.00 C ATOM 40 N9 DG A 2 4.162 -3.331 4.288 1.00 0.00 N ATOM 41 C8 DG A 2 3.270 -4.304 4.648 1.00 0.00 C ATOM 42 N7 DG A 2 2.029 -3.918 4.680 1.00 0.00 N ATOM 43 C5 DG A 2 2.100 -2.572 4.347 1.00 0.00 C ATOM 44 C6 DG A 2 1.054 -1.614 4.218 1.00 0.00 C ATOM 45 O6 DG A 2 -0.154 -1.816 4.278 1.00 0.00 O ATOM 46 N1 DG A 2 1.532 -0.325 4.001 1.00 0.00 N ATOM 47 C2 DG A 2 2.868 -0.012 3.834 1.00 0.00 C ATOM 48 N2 DG A 2 3.167 1.279 3.645 1.00 0.00 N ATOM 49 N3 DG A 2 3.851 -0.931 3.863 1.00 0.00 N ATOM 50 C4 DG A 2 3.405 -2.189 4.137 1.00 0.00 C ATOM 0 H5' DG A 2 6.473 -6.073 1.428 1.00 0.00 H new ATOM 0 H5'' DG A 2 8.050 -6.471 2.079 1.00 0.00 H new ATOM 0 H4' DG A 2 7.934 -4.178 2.389 1.00 0.00 H new ATOM 0 H3' DG A 2 8.086 -5.580 4.844 1.00 0.00 H new ATOM 0 H2' DG A 2 5.664 -5.374 5.170 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.336 -4.022 6.059 1.00 0.00 H new ATOM 0 H1' DG A 2 6.014 -2.481 4.155 1.00 0.00 H new ATOM 0 H8 DG A 2 3.573 -5.313 4.887 1.00 0.00 H new ATOM 0 H1 DG A 2 0.854 0.436 3.963 1.00 0.00 H new ATOM 0 H21 DG A 2 4.138 1.564 3.517 1.00 0.00 H new ATOM 0 H22 DG A 2 2.424 1.978 3.629 1.00 0.00 H new ATOM 62 P DC A 3 9.054 -3.130 5.988 1.00 0.00 P ATOM 63 OP1 DC A 3 10.492 -2.794 5.894 1.00 0.00 O ATOM 64 OP2 DC A 3 8.572 -4.026 7.062 1.00 0.00 O ATOM 65 O5' DC A 3 8.204 -1.765 6.026 1.00 0.00 O ATOM 66 C5' DC A 3 8.483 -0.716 5.116 1.00 0.00 C ATOM 67 C4' DC A 3 7.709 0.543 5.497 1.00 0.00 C ATOM 68 O4' DC A 3 6.319 0.319 5.365 1.00 0.00 O ATOM 69 C3' DC A 3 8.002 0.980 6.939 1.00 0.00 C ATOM 70 O3' DC A 3 8.498 2.307 6.887 1.00 0.00 O ATOM 71 C2' DC A 3 6.662 0.811 7.634 1.00 0.00 C ATOM 72 C1' DC A 3 5.658 0.855 6.492 1.00 0.00 C ATOM 73 N1 DC A 3 4.509 -0.019 6.835 1.00 0.00 N ATOM 74 C2 DC A 3 3.238 0.524 7.013 1.00 0.00 C ATOM 75 O2 DC A 3 3.026 1.727 6.884 1.00 0.00 O ATOM 76 N3 DC A 3 2.218 -0.321 7.336 1.00 0.00 N ATOM 77 C4 DC A 3 2.421 -1.635 7.513 1.00 0.00 C ATOM 78 N4 DC A 3 1.379 -2.425 7.782 1.00 0.00 N ATOM 79 C5 DC A 3 3.731 -2.199 7.384 1.00 0.00 C ATOM 80 C6 DC A 3 4.724 -1.362 7.024 1.00 0.00 C ATOM 0 H5' DC A 3 8.215 -1.023 4.105 1.00 0.00 H new ATOM 0 H5'' DC A 3 9.552 -0.505 5.112 1.00 0.00 H new ATOM 0 H4' DC A 3 8.032 1.335 4.821 1.00 0.00 H new ATOM 0 H3' DC A 3 8.759 0.414 7.482 1.00 0.00 H new ATOM 0 H2' DC A 3 6.609 -0.132 8.178 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.482 1.607 8.357 1.00 0.00 H new ATOM 0 H1' DC A 3 5.299 1.867 6.305 1.00 0.00 H new ATOM 0 H41 DC A 3 1.520 -3.426 7.919 1.00 0.00 H new ATOM 0 H42 DC A 3 0.442 -2.028 7.851 1.00 0.00 H new ATOM 0 H5 DC A 3 3.915 -3.247 7.567 1.00 0.00 H new ATOM 0 H6 DC A 3 5.718 -1.759 6.880 1.00 0.00 H new ATOM 92 P DT A 4 8.829 3.177 8.200 1.00 0.00 P ATOM 93 OP1 DT A 4 9.661 4.331 7.793 1.00 0.00 O ATOM 94 OP2 DT A 4 9.300 2.265 9.266 1.00 0.00 O ATOM 95 O5' DT A 4 7.370 3.722 8.606 1.00 0.00 O ATOM 96 C5' DT A 4 6.594 4.512 7.722 1.00 0.00 C ATOM 97 C4' DT A 4 5.304 4.954 8.419 1.00 0.00 C ATOM 98 O4' DT A 4 4.445 3.841 8.579 1.00 0.00 O ATOM 99 C3' DT A 4 5.551 5.575 9.797 1.00 0.00 C ATOM 100 O3' DT A 4 5.167 6.938 9.817 1.00 0.00 O ATOM 101 C2' DT A 4 4.744 4.680 10.739 1.00 0.00 C ATOM 102 C1' DT A 4 3.774 3.949 9.817 1.00 0.00 C ATOM 103 N1 DT A 4 3.396 2.580 10.278 1.00 0.00 N ATOM 104 C2 DT A 4 2.042 2.250 10.336 1.00 0.00 C ATOM 105 O2 DT A 4 1.140 3.083 10.292 1.00 0.00 O ATOM 106 N3 DT A 4 1.743 0.901 10.449 1.00 0.00 N ATOM 107 C4 DT A 4 2.652 -0.144 10.521 1.00 0.00 C ATOM 108 O4 DT A 4 2.243 -1.301 10.605 1.00 0.00 O ATOM 109 C5 DT A 4 4.044 0.277 10.488 1.00 0.00 C ATOM 110 C7 DT A 4 5.157 -0.763 10.484 1.00 0.00 C ATOM 111 C6 DT A 4 4.355 1.596 10.384 1.00 0.00 C ATOM 0 H5' DT A 4 6.356 3.942 6.824 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.164 5.385 7.404 1.00 0.00 H new ATOM 0 H4' DT A 4 4.853 5.716 7.784 1.00 0.00 H new ATOM 0 H3' DT A 4 6.600 5.606 10.092 1.00 0.00 H new ATOM 0 H2' DT A 4 5.388 3.982 11.275 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.215 5.266 11.490 1.00 0.00 H new ATOM 0 H1' DT A 4 2.840 4.509 9.777 1.00 0.00 H new ATOM 0 H3 DT A 4 0.754 0.652 10.483 1.00 0.00 H new ATOM 0 H71 DT A 4 6.020 -0.370 9.947 1.00 0.00 H new ATOM 0 H72 DT A 4 5.442 -0.995 11.510 1.00 0.00 H new ATOM 0 H73 DT A 4 4.806 -1.670 9.991 1.00 0.00 H new ATOM 0 H6 DT A 4 5.396 1.885 10.384 1.00 0.00 H new ATOM 124 P DA A 5 5.393 7.872 11.118 1.00 0.00 P ATOM 125 OP1 DA A 5 5.578 9.269 10.664 1.00 0.00 O ATOM 126 OP2 DA A 5 6.404 7.241 11.995 1.00 0.00 O ATOM 127 O5' DA A 5 3.959 7.757 11.838 1.00 0.00 O ATOM 128 C5' DA A 5 2.823 8.370 11.268 1.00 0.00 C ATOM 129 C4' DA A 5 1.540 7.964 11.987 1.00 0.00 C ATOM 130 O4' DA A 5 1.457 6.550 11.998 1.00 0.00 O ATOM 131 C3' DA A 5 1.526 8.448 13.444 1.00 0.00 C ATOM 132 O3' DA A 5 0.229 8.736 13.908 1.00 0.00 O ATOM 133 C2' DA A 5 1.951 7.206 14.192 1.00 0.00 C ATOM 134 C1' DA A 5 1.256 6.148 13.333 1.00 0.00 C ATOM 135 N9 DA A 5 1.751 4.774 13.548 1.00 0.00 N ATOM 136 C8 DA A 5 3.027 4.328 13.776 1.00 0.00 C ATOM 137 N7 DA A 5 3.136 3.025 13.820 1.00 0.00 N ATOM 138 C5 DA A 5 1.832 2.575 13.627 1.00 0.00 C ATOM 139 C6 DA A 5 1.233 1.295 13.564 1.00 0.00 C ATOM 140 N6 DA A 5 1.913 0.145 13.662 1.00 0.00 N ATOM 141 N1 DA A 5 -0.099 1.226 13.384 1.00 0.00 N ATOM 142 C2 DA A 5 -0.799 2.349 13.253 1.00 0.00 C ATOM 143 N3 DA A 5 -0.358 3.598 13.263 1.00 0.00 N ATOM 144 C4 DA A 5 0.985 3.643 13.461 1.00 0.00 C ATOM 0 H5' DA A 5 2.752 8.096 10.215 1.00 0.00 H new ATOM 0 H5'' DA A 5 2.935 9.453 11.309 1.00 0.00 H new ATOM 0 H4' DA A 5 0.700 8.417 11.460 1.00 0.00 H new ATOM 0 H3' DA A 5 2.133 9.345 13.563 1.00 0.00 H new ATOM 0 H2' DA A 5 3.034 7.081 14.217 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.606 7.200 15.226 1.00 0.00 H new ATOM 0 H1' DA A 5 0.202 6.096 13.605 1.00 0.00 H new ATOM 0 H8 DA A 5 3.868 4.993 13.908 1.00 0.00 H new ATOM 0 H61 DA A 5 1.419 -0.746 13.608 1.00 0.00 H new ATOM 0 H62 DA A 5 2.925 0.160 13.790 1.00 0.00 H new ATOM 0 H2 DA A 5 -1.864 2.227 13.122 1.00 0.00 H new ATOM 156 P DG A 6 -0.492 10.142 13.658 1.00 0.00 P ATOM 157 OP1 DG A 6 -0.657 10.364 12.205 1.00 0.00 O ATOM 158 OP2 DG A 6 0.160 11.169 14.502 1.00 0.00 O ATOM 159 O5' DG A 6 -1.920 9.780 14.295 1.00 0.00 O ATOM 160 C5' DG A 6 -2.683 8.683 13.824 1.00 0.00 C ATOM 161 C4' DG A 6 -2.840 7.536 14.842 1.00 0.00 C ATOM 162 O4' DG A 6 -1.953 6.423 14.719 1.00 0.00 O ATOM 163 C3' DG A 6 -2.833 7.926 16.331 1.00 0.00 C ATOM 164 O3' DG A 6 -4.170 8.005 16.801 1.00 0.00 O ATOM 165 C2' DG A 6 -1.962 6.839 16.953 1.00 0.00 C ATOM 166 C1' DG A 6 -2.031 5.708 15.949 1.00 0.00 C ATOM 167 N9 DG A 6 -1.004 4.668 16.203 1.00 0.00 N ATOM 168 C8 DG A 6 0.317 4.797 16.558 1.00 0.00 C ATOM 169 N7 DG A 6 0.937 3.671 16.759 1.00 0.00 N ATOM 170 C5 DG A 6 -0.052 2.717 16.573 1.00 0.00 C ATOM 171 C6 DG A 6 0.017 1.300 16.688 1.00 0.00 C ATOM 172 O6 DG A 6 1.017 0.612 16.863 1.00 0.00 O ATOM 173 N1 DG A 6 -1.233 0.699 16.578 1.00 0.00 N ATOM 174 C2 DG A 6 -2.411 1.375 16.331 1.00 0.00 C ATOM 175 N2 DG A 6 -3.536 0.654 16.301 1.00 0.00 N ATOM 176 N3 DG A 6 -2.466 2.704 16.161 1.00 0.00 N ATOM 177 C4 DG A 6 -1.257 3.318 16.298 1.00 0.00 C ATOM 0 H5' DG A 6 -2.215 8.291 12.921 1.00 0.00 H new ATOM 0 H5'' DG A 6 -3.673 9.039 13.540 1.00 0.00 H new ATOM 0 H4' DG A 6 -3.842 7.235 14.538 1.00 0.00 H new ATOM 0 H3' DG A 6 -2.428 8.908 16.577 1.00 0.00 H new ATOM 0 H2' DG A 6 -0.938 7.182 17.101 1.00 0.00 H new ATOM 0 H2'' DG A 6 -2.339 6.532 17.929 1.00 0.00 H new ATOM 0 H1' DG A 6 -2.927 5.089 15.982 1.00 0.00 H new ATOM 0 H8 DG A 6 0.802 5.756 16.662 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.283 -0.314 16.688 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.430 1.111 16.122 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.500 -0.353 16.457 1.00 0.00 H new ATOM 189 P DC A 7 -4.581 8.085 18.366 1.00 0.00 P ATOM 190 OP1 DC A 7 -5.820 8.887 18.476 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.394 8.452 19.171 1.00 0.00 O ATOM 192 O5' DC A 7 -4.954 6.539 18.662 1.00 0.00 O ATOM 193 C5' DC A 7 -5.875 5.873 17.818 1.00 0.00 C ATOM 194 C4' DC A 7 -6.297 4.480 18.293 1.00 0.00 C ATOM 195 O4' DC A 7 -5.247 3.553 18.088 1.00 0.00 O ATOM 196 C3' DC A 7 -6.749 4.437 19.754 1.00 0.00 C ATOM 197 O3' DC A 7 -7.966 3.711 19.840 1.00 0.00 O ATOM 198 C2' DC A 7 -5.561 3.745 20.386 1.00 0.00 C ATOM 199 C1' DC A 7 -5.020 2.840 19.284 1.00 0.00 C ATOM 200 N1 DC A 7 -3.556 2.657 19.457 1.00 0.00 N ATOM 201 C2 DC A 7 -2.993 1.396 19.679 1.00 0.00 C ATOM 202 O2 DC A 7 -3.682 0.380 19.725 1.00 0.00 O ATOM 203 N3 DC A 7 -1.637 1.316 19.845 1.00 0.00 N ATOM 204 C4 DC A 7 -0.865 2.416 19.807 1.00 0.00 C ATOM 205 N4 DC A 7 0.457 2.296 19.947 1.00 0.00 N ATOM 206 C5 DC A 7 -1.429 3.711 19.572 1.00 0.00 C ATOM 207 C6 DC A 7 -2.760 3.770 19.393 1.00 0.00 C ATOM 0 H5' DC A 7 -5.436 5.784 16.824 1.00 0.00 H new ATOM 0 H5'' DC A 7 -6.767 6.492 17.718 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.165 4.207 17.692 1.00 0.00 H new ATOM 0 H3' DC A 7 -6.975 5.388 20.236 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.810 4.464 20.714 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.856 3.170 21.263 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.493 1.858 19.293 1.00 0.00 H new ATOM 0 H41 DC A 7 1.050 3.125 19.919 1.00 0.00 H new ATOM 0 H42 DC A 7 0.874 1.375 20.082 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.814 4.598 19.540 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.217 4.727 19.192 1.00 0.00 H new ATOM 219 P DG A 8 -8.788 3.542 21.221 1.00 0.00 P ATOM 220 OP1 DG A 8 -10.150 3.065 20.893 1.00 0.00 O ATOM 221 OP2 DG A 8 -8.613 4.767 22.032 1.00 0.00 O ATOM 222 O5' DG A 8 -7.999 2.341 21.947 1.00 0.00 O ATOM 223 C5' DG A 8 -7.941 1.051 21.373 1.00 0.00 C ATOM 224 C4' DG A 8 -7.069 0.121 22.220 1.00 0.00 C ATOM 225 O4' DG A 8 -5.700 0.410 21.984 1.00 0.00 O ATOM 226 C3' DG A 8 -7.308 0.237 23.737 1.00 0.00 C ATOM 227 O3' DG A 8 -7.497 -1.036 24.323 1.00 0.00 O ATOM 228 C2' DG A 8 -6.005 0.855 24.228 1.00 0.00 C ATOM 229 C1' DG A 8 -5.024 0.284 23.214 1.00 0.00 C ATOM 230 N9 DG A 8 -3.716 0.975 23.196 1.00 0.00 N ATOM 231 C8 DG A 8 -3.436 2.319 23.229 1.00 0.00 C ATOM 232 N7 DG A 8 -2.164 2.597 23.145 1.00 0.00 N ATOM 233 C5 DG A 8 -1.550 1.350 23.062 1.00 0.00 C ATOM 234 C6 DG A 8 -0.167 1.002 22.960 1.00 0.00 C ATOM 235 O6 DG A 8 0.803 1.754 22.903 1.00 0.00 O ATOM 236 N1 DG A 8 0.037 -0.377 22.925 1.00 0.00 N ATOM 237 C2 DG A 8 -0.974 -1.316 22.994 1.00 0.00 C ATOM 238 N2 DG A 8 -0.614 -2.603 22.979 1.00 0.00 N ATOM 239 N3 DG A 8 -2.273 -0.991 23.075 1.00 0.00 N ATOM 240 C4 DG A 8 -2.493 0.352 23.104 1.00 0.00 C ATOM 0 H5' DG A 8 -7.538 1.115 20.362 1.00 0.00 H new ATOM 0 H5'' DG A 8 -8.947 0.639 21.290 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.343 -0.890 21.918 1.00 0.00 H new ATOM 0 H3' DG A 8 -8.197 0.815 23.989 1.00 0.00 H new ATOM 0 H2' DG A 8 -6.031 1.945 24.211 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.765 0.558 25.249 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.645 -0.934 25.286 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.759 -0.745 23.456 1.00 0.00 H new ATOM 0 H8 DG A 8 -4.200 3.077 23.317 1.00 0.00 H new ATOM 0 H1 DG A 8 0.996 -0.715 22.843 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.326 -3.332 23.028 1.00 0.00 H new ATOM 0 H22 DG A 8 0.372 -2.856 22.919 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 7.948 -5.637 24.849 1.00 0.00 O ATOM 255 C5' DC B 1 7.048 -6.726 24.814 1.00 0.00 C ATOM 256 C4' DC B 1 5.971 -6.535 23.739 1.00 0.00 C ATOM 257 O4' DC B 1 5.280 -5.307 23.926 1.00 0.00 O ATOM 258 C3' DC B 1 6.524 -6.463 22.306 1.00 0.00 C ATOM 259 O3' DC B 1 6.767 -7.677 21.598 1.00 0.00 O ATOM 260 C2' DC B 1 5.525 -5.518 21.596 1.00 0.00 C ATOM 261 C1' DC B 1 4.598 -5.017 22.719 1.00 0.00 C ATOM 262 N1 DC B 1 4.208 -3.584 22.585 1.00 0.00 N ATOM 263 C2 DC B 1 2.864 -3.191 22.536 1.00 0.00 C ATOM 264 O2 DC B 1 1.949 -4.007 22.617 1.00 0.00 O ATOM 265 N3 DC B 1 2.579 -1.861 22.394 1.00 0.00 N ATOM 266 C4 DC B 1 3.558 -0.946 22.299 1.00 0.00 C ATOM 267 N4 DC B 1 3.238 0.343 22.144 1.00 0.00 N ATOM 268 C5 DC B 1 4.939 -1.326 22.394 1.00 0.00 C ATOM 269 C6 DC B 1 5.194 -2.646 22.540 1.00 0.00 C ATOM 0 H5' DC B 1 6.574 -6.838 25.789 1.00 0.00 H new ATOM 0 H5'' DC B 1 7.598 -7.647 24.619 1.00 0.00 H new ATOM 0 H4' DC B 1 5.330 -7.410 23.850 1.00 0.00 H new ATOM 0 H3' DC B 1 7.554 -6.108 22.335 1.00 0.00 H new ATOM 0 H2' DC B 1 6.040 -4.690 21.109 1.00 0.00 H new ATOM 0 H2'' DC B 1 4.963 -6.043 20.823 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.470 -4.811 24.626 1.00 0.00 H new ATOM 0 H1' DC B 1 3.633 -5.523 22.680 1.00 0.00 H new ATOM 0 H41 DC B 1 3.974 1.046 22.071 1.00 0.00 H new ATOM 0 H42 DC B 1 2.258 0.623 22.099 1.00 0.00 H new ATOM 0 H5 DC B 1 5.733 -0.595 22.351 1.00 0.00 H new ATOM 0 H6 DC B 1 6.221 -2.969 22.624 1.00 0.00 H new ATOM 282 P DG B 2 5.746 -8.937 21.462 1.00 0.00 P ATOM 283 OP1 DG B 2 5.528 -9.506 22.811 1.00 0.00 O ATOM 284 OP2 DG B 2 6.288 -9.812 20.399 1.00 0.00 O ATOM 285 O5' DG B 2 4.341 -8.349 20.915 1.00 0.00 O ATOM 286 C5' DG B 2 3.146 -8.499 21.657 1.00 0.00 C ATOM 287 C4' DG B 2 1.905 -8.034 20.913 1.00 0.00 C ATOM 288 O4' DG B 2 1.842 -6.619 20.951 1.00 0.00 O ATOM 289 C3' DG B 2 1.819 -8.493 19.448 1.00 0.00 C ATOM 290 O3' DG B 2 0.536 -9.063 19.285 1.00 0.00 O ATOM 291 C2' DG B 2 2.085 -7.157 18.757 1.00 0.00 C ATOM 292 C1' DG B 2 1.367 -6.205 19.699 1.00 0.00 C ATOM 293 N9 DG B 2 1.703 -4.788 19.433 1.00 0.00 N ATOM 294 C8 DG B 2 2.911 -4.272 19.039 1.00 0.00 C ATOM 295 N7 DG B 2 2.963 -2.972 19.020 1.00 0.00 N ATOM 296 C5 DG B 2 1.678 -2.590 19.382 1.00 0.00 C ATOM 297 C6 DG B 2 1.125 -1.285 19.522 1.00 0.00 C ATOM 298 O6 DG B 2 1.721 -0.214 19.479 1.00 0.00 O ATOM 299 N1 DG B 2 -0.251 -1.308 19.731 1.00 0.00 N ATOM 300 C2 DG B 2 -0.993 -2.464 19.889 1.00 0.00 C ATOM 301 N2 DG B 2 -2.311 -2.318 20.063 1.00 0.00 N ATOM 302 N3 DG B 2 -0.453 -3.695 19.861 1.00 0.00 N ATOM 303 C4 DG B 2 0.881 -3.693 19.587 1.00 0.00 C ATOM 0 H5' DG B 2 3.233 -7.938 22.587 1.00 0.00 H new ATOM 0 H5'' DG B 2 3.025 -9.548 21.928 1.00 0.00 H new ATOM 0 H4' DG B 2 1.063 -8.498 21.426 1.00 0.00 H new ATOM 0 H3' DG B 2 2.493 -9.259 19.065 1.00 0.00 H new ATOM 0 H2' DG B 2 3.150 -6.937 18.678 1.00 0.00 H new ATOM 0 H2'' DG B 2 1.677 -7.125 17.747 1.00 0.00 H new ATOM 0 H1' DG B 2 0.282 -6.242 19.601 1.00 0.00 H new ATOM 0 H8 DG B 2 3.751 -4.894 18.767 1.00 0.00 H new ATOM 0 H1 DG B 2 -0.743 -0.415 19.770 1.00 0.00 H new ATOM 0 H21 DG B 2 -2.903 -3.139 20.184 1.00 0.00 H new ATOM 0 H22 DG B 2 -2.724 -1.385 20.074 1.00 0.00 H new ATOM 315 P DC B 3 -0.130 -9.361 17.858 1.00 0.00 P ATOM 316 OP1 DC B 3 -0.921 -10.608 17.957 1.00 0.00 O ATOM 317 OP2 DC B 3 0.881 -9.205 16.788 1.00 0.00 O ATOM 318 O5' DC B 3 -1.136 -8.110 17.818 1.00 0.00 O ATOM 319 C5' DC B 3 -2.210 -8.015 18.737 1.00 0.00 C ATOM 320 C4' DC B 3 -3.131 -6.868 18.328 1.00 0.00 C ATOM 321 O4' DC B 3 -2.449 -5.633 18.407 1.00 0.00 O ATOM 322 C3' DC B 3 -3.675 -7.046 16.903 1.00 0.00 C ATOM 323 O3' DC B 3 -5.091 -7.052 16.963 1.00 0.00 O ATOM 324 C2' DC B 3 -3.070 -5.869 16.160 1.00 0.00 C ATOM 325 C1' DC B 3 -2.756 -4.867 17.261 1.00 0.00 C ATOM 326 N1 DC B 3 -1.552 -4.089 16.882 1.00 0.00 N ATOM 327 C2 DC B 3 -1.624 -2.709 16.709 1.00 0.00 C ATOM 328 O2 DC B 3 -2.679 -2.095 16.842 1.00 0.00 O ATOM 329 N3 DC B 3 -0.478 -2.044 16.385 1.00 0.00 N ATOM 330 C4 DC B 3 0.683 -2.689 16.199 1.00 0.00 C ATOM 331 N4 DC B 3 1.785 -1.981 15.939 1.00 0.00 N ATOM 332 C5 DC B 3 0.759 -4.114 16.312 1.00 0.00 C ATOM 333 C6 DC B 3 -0.369 -4.755 16.679 1.00 0.00 C ATOM 0 H5' DC B 3 -1.827 -7.847 19.744 1.00 0.00 H new ATOM 0 H5'' DC B 3 -2.767 -8.952 18.760 1.00 0.00 H new ATOM 0 H4' DC B 3 -3.971 -6.876 19.022 1.00 0.00 H new ATOM 0 H3' DC B 3 -3.417 -7.977 16.399 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.172 -6.159 15.615 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.766 -5.456 15.430 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.588 -4.183 17.431 1.00 0.00 H new ATOM 0 H41 DC B 3 2.675 -2.458 15.795 1.00 0.00 H new ATOM 0 H42 DC B 3 1.736 -0.964 15.884 1.00 0.00 H new ATOM 0 H5 DC B 3 1.675 -4.650 16.113 1.00 0.00 H new ATOM 0 H6 DC B 3 -0.341 -5.826 16.818 1.00 0.00 H new ATOM 345 P DT B 4 -6.025 -7.134 15.652 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.391 -7.506 16.081 1.00 0.00 O ATOM 347 OP2 DT B 4 -5.329 -7.939 14.623 1.00 0.00 O ATOM 348 O5' DT B 4 -6.048 -5.599 15.164 1.00 0.00 O ATOM 349 C5' DT B 4 -6.510 -4.563 16.011 1.00 0.00 C ATOM 350 C4' DT B 4 -6.504 -3.215 15.287 1.00 0.00 C ATOM 351 O4' DT B 4 -5.170 -2.772 15.131 1.00 0.00 O ATOM 352 C3' DT B 4 -7.167 -3.278 13.909 1.00 0.00 C ATOM 353 O3' DT B 4 -8.318 -2.456 13.853 1.00 0.00 O ATOM 354 C2' DT B 4 -6.044 -2.849 12.968 1.00 0.00 C ATOM 355 C1' DT B 4 -5.034 -2.150 13.872 1.00 0.00 C ATOM 356 N1 DT B 4 -3.613 -2.282 13.433 1.00 0.00 N ATOM 357 C2 DT B 4 -2.834 -1.130 13.350 1.00 0.00 C ATOM 358 O2 DT B 4 -3.303 0.005 13.369 1.00 0.00 O ATOM 359 N3 DT B 4 -1.465 -1.320 13.239 1.00 0.00 N ATOM 360 C4 DT B 4 -0.801 -2.536 13.197 1.00 0.00 C ATOM 361 O4 DT B 4 0.426 -2.554 13.109 1.00 0.00 O ATOM 362 C5 DT B 4 -1.678 -3.695 13.263 1.00 0.00 C ATOM 363 C7 DT B 4 -1.086 -5.100 13.287 1.00 0.00 C ATOM 364 C6 DT B 4 -3.023 -3.527 13.366 1.00 0.00 C ATOM 0 H5' DT B 4 -5.879 -4.506 16.898 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.520 -4.791 16.352 1.00 0.00 H new ATOM 0 H4' DT B 4 -7.080 -2.521 15.899 1.00 0.00 H new ATOM 0 H3' DT B 4 -7.554 -4.261 13.643 1.00 0.00 H new ATOM 0 H2' DT B 4 -5.599 -3.707 12.464 1.00 0.00 H new ATOM 0 H2'' DT B 4 -6.412 -2.179 12.191 1.00 0.00 H new ATOM 0 H1' DT B 4 -5.243 -1.080 13.866 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.889 -0.480 13.183 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.747 -5.764 13.844 1.00 0.00 H new ATOM 0 H72 DT B 4 -0.979 -5.467 12.266 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.108 -5.075 13.767 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.654 -4.403 13.397 1.00 0.00 H new ATOM 377 P DA B 5 -9.246 -2.382 12.532 1.00 0.00 P ATOM 378 OP1 DA B 5 -10.631 -2.068 12.948 1.00 0.00 O ATOM 379 OP2 DA B 5 -8.980 -3.568 11.687 1.00 0.00 O ATOM 380 O5' DA B 5 -8.629 -1.092 11.798 1.00 0.00 O ATOM 381 C5' DA B 5 -8.868 0.201 12.309 1.00 0.00 C ATOM 382 C4' DA B 5 -8.046 1.271 11.596 1.00 0.00 C ATOM 383 O4' DA B 5 -6.680 0.895 11.634 1.00 0.00 O ATOM 384 C3' DA B 5 -8.457 1.410 10.122 1.00 0.00 C ATOM 385 O3' DA B 5 -8.256 2.710 9.620 1.00 0.00 O ATOM 386 C2' DA B 5 -7.418 0.550 9.443 1.00 0.00 C ATOM 387 C1' DA B 5 -6.205 0.898 10.307 1.00 0.00 C ATOM 388 N9 DA B 5 -5.082 -0.042 10.136 1.00 0.00 N ATOM 389 C8 DA B 5 -5.100 -1.391 9.900 1.00 0.00 C ATOM 390 N7 DA B 5 -3.914 -1.942 9.866 1.00 0.00 N ATOM 391 C5 DA B 5 -3.045 -0.871 10.067 1.00 0.00 C ATOM 392 C6 DA B 5 -1.638 -0.746 10.128 1.00 0.00 C ATOM 393 N6 DA B 5 -0.790 -1.778 10.027 1.00 0.00 N ATOM 394 N1 DA B 5 -1.117 0.484 10.302 1.00 0.00 N ATOM 395 C2 DA B 5 -1.935 1.526 10.427 1.00 0.00 C ATOM 396 N3 DA B 5 -3.259 1.539 10.416 1.00 0.00 N ATOM 397 C4 DA B 5 -3.758 0.291 10.227 1.00 0.00 C ATOM 0 H5' DA B 5 -8.634 0.217 13.373 1.00 0.00 H new ATOM 0 H5'' DA B 5 -9.928 0.437 12.212 1.00 0.00 H new ATOM 0 H4' DA B 5 -8.217 2.222 12.101 1.00 0.00 H new ATOM 0 H3' DA B 5 -9.507 1.158 9.976 1.00 0.00 H new ATOM 0 H2' DA B 5 -7.665 -0.511 9.475 1.00 0.00 H new ATOM 0 H2'' DA B 5 -7.276 0.813 8.395 1.00 0.00 H new ATOM 0 H1' DA B 5 -5.794 1.865 10.016 1.00 0.00 H new ATOM 0 H8 DA B 5 -6.012 -1.950 9.755 1.00 0.00 H new ATOM 0 H61 DA B 5 0.216 -1.618 10.079 1.00 0.00 H new ATOM 0 H62 DA B 5 -1.150 -2.723 9.898 1.00 0.00 H new ATOM 0 H2 DA B 5 -1.457 2.486 10.554 1.00 0.00 H new ATOM 409 P DG B 6 -9.331 3.882 9.793 1.00 0.00 P ATOM 410 OP1 DG B 6 -9.521 4.173 11.231 1.00 0.00 O ATOM 411 OP2 DG B 6 -10.497 3.589 8.930 1.00 0.00 O ATOM 412 O5' DG B 6 -8.483 5.072 9.129 1.00 0.00 O ATOM 413 C5' DG B 6 -7.217 5.451 9.637 1.00 0.00 C ATOM 414 C4' DG B 6 -6.045 5.181 8.673 1.00 0.00 C ATOM 415 O4' DG B 6 -5.319 3.963 8.852 1.00 0.00 O ATOM 416 C3' DG B 6 -6.358 5.274 7.171 1.00 0.00 C ATOM 417 O3' DG B 6 -5.994 6.555 6.685 1.00 0.00 O ATOM 418 C2' DG B 6 -5.591 4.087 6.601 1.00 0.00 C ATOM 419 C1' DG B 6 -4.562 3.766 7.662 1.00 0.00 C ATOM 420 N9 DG B 6 -3.944 2.433 7.439 1.00 0.00 N ATOM 421 C8 DG B 6 -4.517 1.226 7.107 1.00 0.00 C ATOM 422 N7 DG B 6 -3.669 0.255 6.933 1.00 0.00 N ATOM 423 C5 DG B 6 -2.435 0.862 7.109 1.00 0.00 C ATOM 424 C6 DG B 6 -1.127 0.311 7.009 1.00 0.00 C ATOM 425 O6 DG B 6 -0.822 -0.868 6.860 1.00 0.00 O ATOM 426 N1 DG B 6 -0.134 1.282 7.099 1.00 0.00 N ATOM 427 C2 DG B 6 -0.368 2.626 7.308 1.00 0.00 C ATOM 428 N2 DG B 6 0.693 3.439 7.323 1.00 0.00 N ATOM 429 N3 DG B 6 -1.599 3.136 7.460 1.00 0.00 N ATOM 430 C4 DG B 6 -2.589 2.206 7.347 1.00 0.00 C ATOM 0 H5' DG B 6 -7.037 4.916 10.570 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.238 6.514 9.878 1.00 0.00 H new ATOM 0 H4' DG B 6 -5.423 6.021 8.982 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.408 5.204 6.887 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.250 3.239 6.416 1.00 0.00 H new ATOM 0 H2'' DG B 6 -5.119 4.337 5.651 1.00 0.00 H new ATOM 0 H1' DG B 6 -3.663 4.383 7.680 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.584 1.096 7.000 1.00 0.00 H new ATOM 0 H1 DG B 6 0.835 0.979 7.004 1.00 0.00 H new ATOM 0 H21 DG B 6 0.567 4.440 7.474 1.00 0.00 H new ATOM 0 H22 DG B 6 1.629 3.059 7.183 1.00 0.00 H new ATOM 442 P DC B 7 -5.910 6.928 5.113 1.00 0.00 P ATOM 443 OP1 DC B 7 -6.219 8.367 4.960 1.00 0.00 O ATOM 444 OP2 DC B 7 -6.662 5.924 4.327 1.00 0.00 O ATOM 445 O5' DC B 7 -4.330 6.719 4.850 1.00 0.00 O ATOM 446 C5' DC B 7 -3.392 7.353 5.697 1.00 0.00 C ATOM 447 C4' DC B 7 -1.946 7.258 5.208 1.00 0.00 C ATOM 448 O4' DC B 7 -1.443 5.948 5.397 1.00 0.00 O ATOM 449 C3' DC B 7 -1.775 7.687 3.754 1.00 0.00 C ATOM 450 O3' DC B 7 -0.653 8.551 3.651 1.00 0.00 O ATOM 451 C2' DC B 7 -1.586 6.331 3.119 1.00 0.00 C ATOM 452 C1' DC B 7 -0.885 5.494 4.185 1.00 0.00 C ATOM 453 N1 DC B 7 -1.212 4.053 4.024 1.00 0.00 N ATOM 454 C2 DC B 7 -0.212 3.081 3.909 1.00 0.00 C ATOM 455 O2 DC B 7 0.979 3.381 3.868 1.00 0.00 O ATOM 456 N3 DC B 7 -0.593 1.768 3.841 1.00 0.00 N ATOM 457 C4 DC B 7 -1.890 1.417 3.886 1.00 0.00 C ATOM 458 N4 DC B 7 -2.222 0.124 3.843 1.00 0.00 N ATOM 459 C5 DC B 7 -2.923 2.401 4.020 1.00 0.00 C ATOM 460 C6 DC B 7 -2.529 3.685 4.087 1.00 0.00 C ATOM 0 H5' DC B 7 -3.458 6.910 6.691 1.00 0.00 H new ATOM 0 H5'' DC B 7 -3.662 8.404 5.798 1.00 0.00 H new ATOM 0 H4' DC B 7 -1.369 7.960 5.811 1.00 0.00 H new ATOM 0 H3' DC B 7 -2.580 8.259 3.293 1.00 0.00 H new ATOM 0 H2' DC B 7 -2.542 5.890 2.836 1.00 0.00 H new ATOM 0 H2'' DC B 7 -0.985 6.399 2.212 1.00 0.00 H new ATOM 0 H1' DC B 7 0.199 5.594 4.132 1.00 0.00 H new ATOM 0 H41 DC B 7 -3.203 -0.152 3.877 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.494 -0.587 3.777 1.00 0.00 H new ATOM 0 H5 DC B 7 -3.966 2.125 4.065 1.00 0.00 H new ATOM 0 H6 DC B 7 -3.279 4.454 4.194 1.00 0.00 H new ATOM 472 P DG B 8 -0.210 9.249 2.263 1.00 0.00 P ATOM 473 OP1 DG B 8 0.702 10.370 2.579 1.00 0.00 O ATOM 474 OP2 DG B 8 -1.419 9.493 1.445 1.00 0.00 O ATOM 475 O5' DG B 8 0.650 8.088 1.555 1.00 0.00 O ATOM 476 C5' DG B 8 1.849 7.609 2.132 1.00 0.00 C ATOM 477 C4' DG B 8 2.430 6.467 1.294 1.00 0.00 C ATOM 478 O4' DG B 8 1.697 5.281 1.549 1.00 0.00 O ATOM 479 C3' DG B 8 2.392 6.719 -0.225 1.00 0.00 C ATOM 480 O3' DG B 8 3.637 6.421 -0.823 1.00 0.00 O ATOM 481 C2' DG B 8 1.333 5.723 -0.686 1.00 0.00 C ATOM 482 C1' DG B 8 1.554 4.604 0.323 1.00 0.00 C ATOM 483 N9 DG B 8 0.466 3.603 0.378 1.00 0.00 N ATOM 484 C8 DG B 8 -0.896 3.783 0.351 1.00 0.00 C ATOM 485 N7 DG B 8 -1.579 2.680 0.498 1.00 0.00 N ATOM 486 C5 DG B 8 -0.605 1.692 0.618 1.00 0.00 C ATOM 487 C6 DG B 8 -0.732 0.279 0.795 1.00 0.00 C ATOM 488 O6 DG B 8 -1.761 -0.384 0.900 1.00 0.00 O ATOM 489 N1 DG B 8 0.503 -0.367 0.846 1.00 0.00 N ATOM 490 C2 DG B 8 1.721 0.274 0.729 1.00 0.00 C ATOM 491 N2 DG B 8 2.820 -0.486 0.761 1.00 0.00 N ATOM 492 N3 DG B 8 1.843 1.601 0.581 1.00 0.00 N ATOM 493 C4 DG B 8 0.648 2.250 0.534 1.00 0.00 C ATOM 0 H5' DG B 8 1.657 7.262 3.147 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.574 8.420 2.204 1.00 0.00 H new ATOM 0 H4' DG B 8 3.476 6.384 1.588 1.00 0.00 H new ATOM 0 H3' DG B 8 2.179 7.755 -0.488 1.00 0.00 H new ATOM 0 H2' DG B 8 0.325 6.135 -0.635 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.491 5.394 -1.713 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.585 6.588 -1.787 1.00 0.00 H new ATOM 0 H1' DG B 8 2.422 4.004 0.050 1.00 0.00 H new ATOM 0 H8 DG B 8 -1.360 4.750 0.220 1.00 0.00 H new ATOM 0 H1 DG B 8 0.507 -1.378 0.978 1.00 0.00 H new ATOM 0 H21 DG B 8 3.741 -0.055 0.678 1.00 0.00 H new ATOM 0 H22 DG B 8 2.738 -1.497 0.868 1.00 0.00 H new TER 506 DG B 8