USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=9 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 DG O5' : rot 27:sc= 0.0119 USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 G O2' : rot -29:sc= 0.109 USER MOD Single : B 1 G O5' : rot 180:sc= 0 USER MOD Single : B 2 C O2' : rot 171:sc= -0.0253 USER MOD Single : B 3 C O2' : rot 180:sc= -0.0738 USER MOD Single : B 4 A O2' : rot 180:sc= 0 USER MOD Single : B 6 DT C7 :methyl -30:sc= 0 (180deg=-0.317) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -10.981 -8.948 -3.399 1.00 0.00 O ATOM 2 C5' DG A 1 -11.584 -9.896 -2.543 1.00 0.00 C ATOM 3 C4' DG A 1 -10.919 -9.887 -1.163 1.00 0.00 C ATOM 4 O4' DG A 1 -9.540 -10.171 -1.305 1.00 0.00 O ATOM 5 C3' DG A 1 -11.050 -8.538 -0.441 1.00 0.00 C ATOM 6 O3' DG A 1 -11.560 -8.765 0.865 1.00 0.00 O ATOM 7 C2' DG A 1 -9.612 -8.030 -0.437 1.00 0.00 C ATOM 8 C1' DG A 1 -8.853 -9.355 -0.384 1.00 0.00 C ATOM 9 N9 DG A 1 -7.417 -9.276 -0.743 1.00 0.00 N ATOM 10 C8 DG A 1 -6.839 -9.097 -1.978 1.00 0.00 C ATOM 11 N7 DG A 1 -5.539 -9.191 -1.978 1.00 0.00 N ATOM 12 C5 DG A 1 -5.223 -9.482 -0.657 1.00 0.00 C ATOM 13 C6 DG A 1 -3.956 -9.736 -0.048 1.00 0.00 C ATOM 14 O6 DG A 1 -2.846 -9.710 -0.573 1.00 0.00 O ATOM 15 N1 DG A 1 -4.067 -10.049 1.305 1.00 0.00 N ATOM 16 C2 DG A 1 -5.264 -10.107 1.995 1.00 0.00 C ATOM 17 N2 DG A 1 -5.208 -10.384 3.301 1.00 0.00 N ATOM 18 N3 DG A 1 -6.453 -9.864 1.424 1.00 0.00 N ATOM 19 C4 DG A 1 -6.367 -9.558 0.101 1.00 0.00 C ATOM 0 H5' DG A 1 -11.506 -10.890 -2.982 1.00 0.00 H new ATOM 0 H5'' DG A 1 -12.647 -9.676 -2.441 1.00 0.00 H new ATOM 0 H4' DG A 1 -11.430 -10.642 -0.566 1.00 0.00 H new ATOM 0 H3' DG A 1 -11.730 -7.821 -0.901 1.00 0.00 H new ATOM 0 H2' DG A 1 -9.374 -7.450 -1.329 1.00 0.00 H new ATOM 0 H2'' DG A 1 -9.399 -7.394 0.422 1.00 0.00 H new ATOM 0 HO5' DG A 1 -10.051 -8.805 -3.125 1.00 0.00 H new ATOM 0 H1' DG A 1 -8.836 -9.731 0.639 1.00 0.00 H new ATOM 0 H8 DG A 1 -7.413 -8.896 -2.871 1.00 0.00 H new ATOM 0 H1 DG A 1 -3.210 -10.248 1.820 1.00 0.00 H new ATOM 0 H21 DG A 1 -6.067 -10.437 3.848 1.00 0.00 H new ATOM 0 H22 DG A 1 -4.306 -10.543 3.750 1.00 0.00 H new ATOM 32 P DC A 2 -11.897 -7.565 1.895 1.00 0.00 P ATOM 33 OP1 DC A 2 -12.964 -8.031 2.808 1.00 0.00 O ATOM 34 OP2 DC A 2 -12.091 -6.323 1.115 1.00 0.00 O ATOM 35 O5' DC A 2 -10.533 -7.412 2.746 1.00 0.00 O ATOM 36 C5' DC A 2 -10.185 -8.330 3.767 1.00 0.00 C ATOM 37 C4' DC A 2 -8.857 -7.919 4.412 1.00 0.00 C ATOM 38 O4' DC A 2 -7.801 -8.055 3.474 1.00 0.00 O ATOM 39 C3' DC A 2 -8.866 -6.462 4.904 1.00 0.00 C ATOM 40 O3' DC A 2 -8.377 -6.460 6.238 1.00 0.00 O ATOM 41 C2' DC A 2 -7.916 -5.819 3.897 1.00 0.00 C ATOM 42 C1' DC A 2 -6.931 -6.970 3.694 1.00 0.00 C ATOM 43 N1 DC A 2 -5.983 -6.783 2.562 1.00 0.00 N ATOM 44 C2 DC A 2 -4.625 -7.050 2.759 1.00 0.00 C ATOM 45 O2 DC A 2 -4.191 -7.434 3.842 1.00 0.00 O ATOM 46 N3 DC A 2 -3.769 -6.887 1.712 1.00 0.00 N ATOM 47 C4 DC A 2 -4.206 -6.490 0.510 1.00 0.00 C ATOM 48 N4 DC A 2 -3.318 -6.381 -0.482 1.00 0.00 N ATOM 49 C5 DC A 2 -5.602 -6.255 0.269 1.00 0.00 C ATOM 50 C6 DC A 2 -6.441 -6.420 1.320 1.00 0.00 C ATOM 0 H5' DC A 2 -10.101 -9.334 3.351 1.00 0.00 H new ATOM 0 H5'' DC A 2 -10.971 -8.362 4.522 1.00 0.00 H new ATOM 0 H4' DC A 2 -8.713 -8.576 5.270 1.00 0.00 H new ATOM 0 H3' DC A 2 -9.825 -5.945 4.944 1.00 0.00 H new ATOM 0 H2' DC A 2 -8.419 -5.532 2.973 1.00 0.00 H new ATOM 0 H2'' DC A 2 -7.436 -4.923 4.290 1.00 0.00 H new ATOM 0 H1' DC A 2 -6.255 -7.087 4.541 1.00 0.00 H new ATOM 0 H41 DC A 2 -3.622 -6.081 -1.408 1.00 0.00 H new ATOM 0 H42 DC A 2 -2.336 -6.598 -0.313 1.00 0.00 H new ATOM 0 H5 DC A 2 -5.966 -5.961 -0.704 1.00 0.00 H new ATOM 0 H6 DC A 2 -7.500 -6.261 1.177 1.00 0.00 H new ATOM 62 P DA A 3 -8.239 -5.133 7.148 1.00 0.00 P ATOM 63 OP1 DA A 3 -8.995 -5.352 8.401 1.00 0.00 O ATOM 64 OP2 DA A 3 -8.523 -3.942 6.317 1.00 0.00 O ATOM 65 O5' DA A 3 -6.662 -5.140 7.496 1.00 0.00 O ATOM 66 C5' DA A 3 -6.095 -6.130 8.339 1.00 0.00 C ATOM 67 C4' DA A 3 -4.593 -5.882 8.530 1.00 0.00 C ATOM 68 O4' DA A 3 -3.936 -5.983 7.280 1.00 0.00 O ATOM 69 C3' DA A 3 -4.306 -4.494 9.111 1.00 0.00 C ATOM 70 O3' DA A 3 -3.275 -4.614 10.081 1.00 0.00 O ATOM 71 C2' DA A 3 -3.875 -3.724 7.870 1.00 0.00 C ATOM 72 C1' DA A 3 -3.150 -4.826 7.100 1.00 0.00 C ATOM 73 N9 DA A 3 -3.045 -4.555 5.653 1.00 0.00 N ATOM 74 C8 DA A 3 -4.070 -4.354 4.769 1.00 0.00 C ATOM 75 N7 DA A 3 -3.696 -4.234 3.525 1.00 0.00 N ATOM 76 C5 DA A 3 -2.318 -4.407 3.585 1.00 0.00 C ATOM 77 C6 DA A 3 -1.310 -4.450 2.598 1.00 0.00 C ATOM 78 N6 DA A 3 -1.557 -4.304 1.292 1.00 0.00 N ATOM 79 N1 DA A 3 -0.040 -4.666 2.990 1.00 0.00 N ATOM 80 C2 DA A 3 0.222 -4.832 4.284 1.00 0.00 C ATOM 81 N3 DA A 3 -0.632 -4.826 5.303 1.00 0.00 N ATOM 82 C4 DA A 3 -1.908 -4.607 4.881 1.00 0.00 C ATOM 0 H5' DA A 3 -6.254 -7.118 7.906 1.00 0.00 H new ATOM 0 H5'' DA A 3 -6.596 -6.122 9.307 1.00 0.00 H new ATOM 0 H4' DA A 3 -4.228 -6.633 9.231 1.00 0.00 H new ATOM 0 H3' DA A 3 -5.133 -4.006 9.626 1.00 0.00 H new ATOM 0 H2' DA A 3 -4.723 -3.320 7.317 1.00 0.00 H new ATOM 0 H2'' DA A 3 -3.221 -2.885 8.108 1.00 0.00 H new ATOM 0 H1' DA A 3 -2.129 -4.916 7.471 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.104 -4.299 5.076 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.790 -4.344 0.620 1.00 0.00 H new ATOM 0 H62 DA A 3 -2.512 -4.153 0.967 1.00 0.00 H new ATOM 0 H2 DA A 3 1.259 -4.992 4.539 1.00 0.00 H new ATOM 94 P DG A 4 -2.671 -3.347 10.884 1.00 0.00 P ATOM 95 OP1 DG A 4 -2.214 -3.820 12.209 1.00 0.00 O ATOM 96 OP2 DG A 4 -3.637 -2.229 10.797 1.00 0.00 O ATOM 97 O5' DG A 4 -1.372 -2.961 10.007 1.00 0.00 O ATOM 98 C5' DG A 4 -0.202 -3.759 10.036 1.00 0.00 C ATOM 99 C4' DG A 4 0.889 -3.171 9.135 1.00 0.00 C ATOM 100 O4' DG A 4 0.479 -3.216 7.783 1.00 0.00 O ATOM 101 C3' DG A 4 1.224 -1.707 9.460 1.00 0.00 C ATOM 102 O3' DG A 4 2.522 -1.635 10.040 1.00 0.00 O ATOM 103 C2' DG A 4 1.151 -1.030 8.095 1.00 0.00 C ATOM 104 C1' DG A 4 1.180 -2.190 7.119 1.00 0.00 C ATOM 105 N9 DG A 4 0.527 -1.848 5.843 1.00 0.00 N ATOM 106 C8 DG A 4 -0.805 -1.657 5.608 1.00 0.00 C ATOM 107 N7 DG A 4 -1.106 -1.484 4.350 1.00 0.00 N ATOM 108 C5 DG A 4 0.124 -1.565 3.702 1.00 0.00 C ATOM 109 C6 DG A 4 0.442 -1.514 2.310 1.00 0.00 C ATOM 110 O6 DG A 4 -0.327 -1.367 1.363 1.00 0.00 O ATOM 111 N1 DG A 4 1.807 -1.659 2.071 1.00 0.00 N ATOM 112 C2 DG A 4 2.760 -1.831 3.059 1.00 0.00 C ATOM 113 N2 DG A 4 4.039 -1.919 2.683 1.00 0.00 N ATOM 114 N3 DG A 4 2.461 -1.896 4.363 1.00 0.00 N ATOM 115 C4 DG A 4 1.133 -1.763 4.615 1.00 0.00 C ATOM 0 H5' DG A 4 -0.440 -4.771 9.710 1.00 0.00 H new ATOM 0 H5'' DG A 4 0.167 -3.832 11.059 1.00 0.00 H new ATOM 0 H4' DG A 4 1.776 -3.779 9.313 1.00 0.00 H new ATOM 0 H3' DG A 4 0.557 -1.234 10.181 1.00 0.00 H new ATOM 0 H2' DG A 4 0.241 -0.439 7.989 1.00 0.00 H new ATOM 0 H2'' DG A 4 1.991 -0.353 7.938 1.00 0.00 H new ATOM 0 H1' DG A 4 2.198 -2.475 6.855 1.00 0.00 H new ATOM 0 H8 DG A 4 -1.545 -1.650 6.395 1.00 0.00 H new ATOM 0 H1 DG A 4 2.125 -1.637 1.102 1.00 0.00 H new ATOM 0 H21 DG A 4 4.769 -2.046 3.384 1.00 0.00 H new ATOM 0 H22 DG A 4 4.285 -1.859 1.695 1.00 0.00 H new ATOM 127 P DT A 5 3.193 -0.249 10.549 1.00 0.00 P ATOM 128 OP1 DT A 5 4.343 -0.594 11.414 1.00 0.00 O ATOM 129 OP2 DT A 5 2.117 0.621 11.076 1.00 0.00 O ATOM 130 O5' DT A 5 3.772 0.436 9.203 1.00 0.00 O ATOM 131 C5' DT A 5 4.860 -0.125 8.489 1.00 0.00 C ATOM 132 C4' DT A 5 5.115 0.619 7.169 1.00 0.00 C ATOM 133 O4' DT A 5 4.063 0.414 6.241 1.00 0.00 O ATOM 134 C3' DT A 5 5.249 2.141 7.346 1.00 0.00 C ATOM 135 O3' DT A 5 6.585 2.518 7.037 1.00 0.00 O ATOM 136 C2' DT A 5 4.219 2.709 6.375 1.00 0.00 C ATOM 137 C1' DT A 5 4.029 1.552 5.402 1.00 0.00 C ATOM 138 N1 DT A 5 2.755 1.607 4.635 1.00 0.00 N ATOM 139 C2 DT A 5 2.797 1.518 3.241 1.00 0.00 C ATOM 140 O2 DT A 5 3.839 1.444 2.594 1.00 0.00 O ATOM 141 N3 DT A 5 1.573 1.511 2.590 1.00 0.00 N ATOM 142 C4 DT A 5 0.326 1.608 3.189 1.00 0.00 C ATOM 143 O4 DT A 5 -0.689 1.590 2.497 1.00 0.00 O ATOM 144 C5 DT A 5 0.367 1.689 4.639 1.00 0.00 C ATOM 145 C7 DT A 5 -0.926 1.801 5.424 1.00 0.00 C ATOM 146 C6 DT A 5 1.553 1.679 5.298 1.00 0.00 C ATOM 0 H5' DT A 5 4.657 -1.176 8.282 1.00 0.00 H new ATOM 0 H5'' DT A 5 5.758 -0.090 9.106 1.00 0.00 H new ATOM 0 H4' DT A 5 6.055 0.206 6.803 1.00 0.00 H new ATOM 0 H3' DT A 5 5.065 2.508 8.356 1.00 0.00 H new ATOM 0 H2' DT A 5 3.289 2.977 6.877 1.00 0.00 H new ATOM 0 H2'' DT A 5 4.581 3.607 5.875 1.00 0.00 H new ATOM 0 H1' DT A 5 4.795 1.561 4.626 1.00 0.00 H new ATOM 0 H3 DT A 5 1.591 1.426 1.574 1.00 0.00 H new ATOM 0 H71 DT A 5 -0.800 1.335 6.401 1.00 0.00 H new ATOM 0 H72 DT A 5 -1.183 2.852 5.554 1.00 0.00 H new ATOM 0 H73 DT A 5 -1.726 1.296 4.882 1.00 0.00 H new ATOM 0 H6 DT A 5 1.553 1.729 6.377 1.00 0.00 H new ATOM 159 P DG A 6 7.107 4.050 7.082 1.00 0.00 P ATOM 160 OP1 DG A 6 8.571 4.027 7.297 1.00 0.00 O ATOM 161 OP2 DG A 6 6.242 4.810 8.012 1.00 0.00 O ATOM 162 O5' DG A 6 6.827 4.587 5.583 1.00 0.00 O ATOM 163 C5' DG A 6 7.630 4.190 4.486 1.00 0.00 C ATOM 164 C4' DG A 6 7.126 4.833 3.187 1.00 0.00 C ATOM 165 O4' DG A 6 5.854 4.324 2.839 1.00 0.00 O ATOM 166 C3' DG A 6 7.005 6.361 3.280 1.00 0.00 C ATOM 167 O3' DG A 6 7.891 6.917 2.314 1.00 0.00 O ATOM 168 C2' DG A 6 5.530 6.606 2.980 1.00 0.00 C ATOM 169 C1' DG A 6 5.157 5.364 2.191 1.00 0.00 C ATOM 170 N9 DG A 6 3.715 5.077 2.205 1.00 0.00 N ATOM 171 C8 DG A 6 2.900 4.907 3.286 1.00 0.00 C ATOM 172 N7 DG A 6 1.666 4.614 2.983 1.00 0.00 N ATOM 173 C5 DG A 6 1.667 4.584 1.590 1.00 0.00 C ATOM 174 C6 DG A 6 0.605 4.345 0.667 1.00 0.00 C ATOM 175 O6 DG A 6 -0.562 4.054 0.914 1.00 0.00 O ATOM 176 N1 DG A 6 1.009 4.488 -0.660 1.00 0.00 N ATOM 177 C2 DG A 6 2.297 4.799 -1.054 1.00 0.00 C ATOM 178 N2 DG A 6 2.525 4.950 -2.360 1.00 0.00 N ATOM 179 N3 DG A 6 3.304 4.984 -0.191 1.00 0.00 N ATOM 180 C4 DG A 6 2.921 4.872 1.108 1.00 0.00 C ATOM 0 H5' DG A 6 7.614 3.104 4.391 1.00 0.00 H new ATOM 0 H5'' DG A 6 8.666 4.479 4.663 1.00 0.00 H new ATOM 0 H4' DG A 6 7.871 4.586 2.430 1.00 0.00 H new ATOM 0 H3' DG A 6 7.276 6.813 4.234 1.00 0.00 H new ATOM 0 H2' DG A 6 4.939 6.703 3.891 1.00 0.00 H new ATOM 0 H2'' DG A 6 5.377 7.517 2.402 1.00 0.00 H new ATOM 0 H1' DG A 6 5.413 5.486 1.139 1.00 0.00 H new ATOM 0 H8 DG A 6 3.247 5.006 4.304 1.00 0.00 H new ATOM 0 H1 DG A 6 0.308 4.354 -1.388 1.00 0.00 H new ATOM 0 H21 DG A 6 3.462 5.180 -2.691 1.00 0.00 H new ATOM 0 H22 DG A 6 1.762 4.836 -3.027 1.00 0.00 H new ATOM 192 P DG A 7 7.943 8.489 1.940 1.00 0.00 P ATOM 193 OP1 DG A 7 9.289 8.786 1.400 1.00 0.00 O ATOM 194 OP2 DG A 7 7.427 9.262 3.091 1.00 0.00 O ATOM 195 O5' DG A 7 6.877 8.609 0.729 1.00 0.00 O ATOM 196 C5' DG A 7 7.130 8.055 -0.551 1.00 0.00 C ATOM 197 C4' DG A 7 5.988 8.401 -1.515 1.00 0.00 C ATOM 198 O4' DG A 7 4.792 7.740 -1.129 1.00 0.00 O ATOM 199 C3' DG A 7 5.710 9.911 -1.552 1.00 0.00 C ATOM 200 O3' DG A 7 5.779 10.367 -2.900 1.00 0.00 O ATOM 201 C2' DG A 7 4.292 9.965 -0.993 1.00 0.00 C ATOM 202 C1' DG A 7 3.725 8.616 -1.418 1.00 0.00 C ATOM 203 N9 DG A 7 2.493 8.219 -0.698 1.00 0.00 N ATOM 204 C8 DG A 7 2.331 8.006 0.645 1.00 0.00 C ATOM 205 N7 DG A 7 1.137 7.622 0.994 1.00 0.00 N ATOM 206 C5 DG A 7 0.445 7.565 -0.209 1.00 0.00 C ATOM 207 C6 DG A 7 -0.915 7.213 -0.465 1.00 0.00 C ATOM 208 O6 DG A 7 -1.758 6.822 0.338 1.00 0.00 O ATOM 209 N1 DG A 7 -1.265 7.378 -1.801 1.00 0.00 N ATOM 210 C2 DG A 7 -0.385 7.773 -2.791 1.00 0.00 C ATOM 211 N2 DG A 7 -0.892 7.961 -4.013 1.00 0.00 N ATOM 212 N3 DG A 7 0.911 8.042 -2.563 1.00 0.00 N ATOM 213 C4 DG A 7 1.262 7.936 -1.252 1.00 0.00 C ATOM 0 H5' DG A 7 7.234 6.973 -0.473 1.00 0.00 H new ATOM 0 H5'' DG A 7 8.073 8.438 -0.941 1.00 0.00 H new ATOM 0 H4' DG A 7 6.303 8.071 -2.505 1.00 0.00 H new ATOM 0 H3' DG A 7 6.409 10.537 -0.998 1.00 0.00 H new ATOM 0 H2' DG A 7 4.286 10.086 0.090 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.722 10.795 -1.409 1.00 0.00 H new ATOM 0 H1' DG A 7 3.406 8.620 -2.460 1.00 0.00 H new ATOM 0 H8 DG A 7 3.130 8.145 1.358 1.00 0.00 H new ATOM 0 H1 DG A 7 -2.233 7.196 -2.067 1.00 0.00 H new ATOM 0 H21 DG A 7 -0.284 8.253 -4.778 1.00 0.00 H new ATOM 0 H22 DG A 7 -1.887 7.813 -4.181 1.00 0.00 H new ATOM 225 P DC A 8 5.473 11.899 -3.334 1.00 0.00 P ATOM 226 OP1 DC A 8 6.203 12.172 -4.592 1.00 0.00 O ATOM 227 OP2 DC A 8 5.690 12.771 -2.158 1.00 0.00 O ATOM 228 O5' DC A 8 3.887 11.895 -3.666 1.00 0.00 O ATOM 229 C5' DC A 8 3.384 11.306 -4.851 1.00 0.00 C ATOM 230 C4' DC A 8 1.857 11.428 -4.957 1.00 0.00 C ATOM 231 O4' DC A 8 1.198 10.734 -3.908 1.00 0.00 O ATOM 232 C3' DC A 8 1.350 12.876 -4.883 1.00 0.00 C ATOM 233 O3' DC A 8 0.893 13.311 -6.148 1.00 0.00 O ATOM 234 C2' DC A 8 0.188 12.818 -3.884 1.00 0.00 C ATOM 235 C1' DC A 8 -0.084 11.320 -3.759 1.00 0.00 C ATOM 236 N1 DC A 8 -0.734 10.979 -2.459 1.00 0.00 N ATOM 237 C2 DC A 8 -2.106 10.715 -2.429 1.00 0.00 C ATOM 238 O2 DC A 8 -2.788 10.797 -3.447 1.00 0.00 O ATOM 239 N3 DC A 8 -2.680 10.361 -1.242 1.00 0.00 N ATOM 240 C4 DC A 8 -1.951 10.263 -0.119 1.00 0.00 C ATOM 241 N4 DC A 8 -2.556 9.872 1.007 1.00 0.00 N ATOM 242 C5 DC A 8 -0.540 10.535 -0.122 1.00 0.00 C ATOM 243 C6 DC A 8 0.007 10.888 -1.308 1.00 0.00 C ATOM 0 H5' DC A 8 3.665 10.253 -4.879 1.00 0.00 H new ATOM 0 H5'' DC A 8 3.846 11.783 -5.716 1.00 0.00 H new ATOM 0 H4' DC A 8 1.629 11.001 -5.933 1.00 0.00 H new ATOM 0 H3' DC A 8 2.130 13.575 -4.580 1.00 0.00 H new ATOM 0 H2' DC A 8 0.458 13.260 -2.925 1.00 0.00 H new ATOM 0 H2'' DC A 8 -0.686 13.358 -4.249 1.00 0.00 H new ATOM 0 HO3' DC A 8 0.573 14.235 -6.080 1.00 0.00 H new ATOM 0 H1' DC A 8 -0.789 10.951 -4.504 1.00 0.00 H new ATOM 0 H41 DC A 8 -2.021 9.791 1.872 1.00 0.00 H new ATOM 0 H42 DC A 8 -3.553 9.655 1.002 1.00 0.00 H new ATOM 0 H5 DC A 8 0.054 10.461 0.777 1.00 0.00 H new ATOM 0 H6 DC A 8 1.064 11.106 -1.350 1.00 0.00 H new TER 256 DC A 8 ATOM 257 O5' G B 1 -12.999 7.134 -0.108 1.00 0.00 O ATOM 258 C5' G B 1 -13.668 7.723 -1.201 1.00 0.00 C ATOM 259 C4' G B 1 -12.677 8.367 -2.177 1.00 0.00 C ATOM 260 O4' G B 1 -11.863 9.342 -1.529 1.00 0.00 O ATOM 261 C3' G B 1 -11.703 7.360 -2.794 1.00 0.00 C ATOM 262 O3' G B 1 -12.241 6.617 -3.874 1.00 0.00 O ATOM 263 C2' G B 1 -10.638 8.332 -3.264 1.00 0.00 C ATOM 264 O2' G B 1 -11.057 9.009 -4.434 1.00 0.00 O ATOM 265 C1' G B 1 -10.567 9.337 -2.123 1.00 0.00 C ATOM 266 N9 G B 1 -9.512 9.090 -1.118 1.00 0.00 N ATOM 267 C8 G B 1 -9.615 8.611 0.161 1.00 0.00 C ATOM 268 N7 G B 1 -8.505 8.671 0.846 1.00 0.00 N ATOM 269 C5 G B 1 -7.593 9.236 -0.041 1.00 0.00 C ATOM 270 C6 G B 1 -6.202 9.530 0.114 1.00 0.00 C ATOM 271 O6 G B 1 -5.493 9.356 1.102 1.00 0.00 O ATOM 272 N1 G B 1 -5.637 10.063 -1.045 1.00 0.00 N ATOM 273 C2 G B 1 -6.341 10.314 -2.210 1.00 0.00 C ATOM 274 N2 G B 1 -5.665 10.811 -3.248 1.00 0.00 N ATOM 275 N3 G B 1 -7.646 10.049 -2.352 1.00 0.00 N ATOM 276 C4 G B 1 -8.208 9.504 -1.240 1.00 0.00 C ATOM 0 H5' G B 1 -14.368 8.477 -0.839 1.00 0.00 H new ATOM 0 H5'' G B 1 -14.255 6.967 -1.722 1.00 0.00 H new ATOM 0 H4' G B 1 -13.306 8.809 -2.949 1.00 0.00 H new ATOM 0 H3' G B 1 -11.384 6.571 -2.113 1.00 0.00 H new ATOM 0 H2' G B 1 -9.694 7.838 -3.495 1.00 0.00 H new ATOM 0 HO2' G B 1 -11.663 8.433 -4.946 1.00 0.00 H new ATOM 0 HO5' G B 1 -13.655 6.732 0.499 1.00 0.00 H new ATOM 0 H1' G B 1 -10.282 10.307 -2.532 1.00 0.00 H new ATOM 0 H8 G B 1 -10.535 8.218 0.568 1.00 0.00 H new ATOM 0 H1 G B 1 -4.641 10.282 -1.033 1.00 0.00 H new ATOM 0 H21 G B 1 -6.149 11.009 -4.124 1.00 0.00 H new ATOM 0 H22 G B 1 -4.665 10.993 -3.165 1.00 0.00 H new ATOM 289 P C B 2 -11.497 5.300 -4.453 1.00 0.00 P ATOM 290 OP1 C B 2 -12.203 4.892 -5.687 1.00 0.00 O ATOM 291 OP2 C B 2 -11.367 4.340 -3.335 1.00 0.00 O ATOM 292 O5' C B 2 -10.006 5.781 -4.859 1.00 0.00 O ATOM 293 C5' C B 2 -9.702 6.366 -6.116 1.00 0.00 C ATOM 294 C4' C B 2 -8.216 6.754 -6.175 1.00 0.00 C ATOM 295 O4' C B 2 -7.833 7.545 -5.052 1.00 0.00 O ATOM 296 C3' C B 2 -7.308 5.530 -6.131 1.00 0.00 C ATOM 297 O3' C B 2 -7.109 4.896 -7.388 1.00 0.00 O ATOM 298 C2' C B 2 -6.027 6.156 -5.605 1.00 0.00 C ATOM 299 O2' C B 2 -5.198 6.599 -6.663 1.00 0.00 O ATOM 300 C1' C B 2 -6.436 7.396 -4.822 1.00 0.00 C ATOM 301 N1 C B 2 -6.031 7.259 -3.395 1.00 0.00 N ATOM 302 C2 C B 2 -4.666 7.360 -3.100 1.00 0.00 C ATOM 303 O2 C B 2 -3.856 7.742 -3.944 1.00 0.00 O ATOM 304 N3 C B 2 -4.237 7.008 -1.855 1.00 0.00 N ATOM 305 C4 C B 2 -5.100 6.578 -0.925 1.00 0.00 C ATOM 306 N4 C B 2 -4.627 6.234 0.276 1.00 0.00 N ATOM 307 C5 C B 2 -6.514 6.546 -1.179 1.00 0.00 C ATOM 308 C6 C B 2 -6.928 6.907 -2.417 1.00 0.00 C ATOM 0 H5' C B 2 -10.322 7.248 -6.274 1.00 0.00 H new ATOM 0 H5'' C B 2 -9.934 5.665 -6.917 1.00 0.00 H new ATOM 0 H4' C B 2 -8.104 7.302 -7.111 1.00 0.00 H new ATOM 0 H3' C B 2 -7.718 4.717 -5.532 1.00 0.00 H new ATOM 0 H2' C B 2 -5.486 5.420 -5.009 1.00 0.00 H new ATOM 0 HO2' C B 2 -4.455 7.123 -6.299 1.00 0.00 H new ATOM 0 H1' C B 2 -5.934 8.309 -5.143 1.00 0.00 H new ATOM 0 H41 C B 2 -5.265 5.904 1.000 1.00 0.00 H new ATOM 0 H42 C B 2 -3.628 6.302 0.469 1.00 0.00 H new ATOM 0 H5 C B 2 -7.217 6.247 -0.415 1.00 0.00 H new ATOM 0 H6 C B 2 -7.985 6.918 -2.639 1.00 0.00 H new ATOM 320 P C B 3 -6.210 3.549 -7.537 1.00 0.00 P ATOM 321 OP1 C B 3 -6.486 2.978 -8.874 1.00 0.00 O ATOM 322 OP2 C B 3 -6.446 2.720 -6.334 1.00 0.00 O ATOM 323 O5' C B 3 -4.653 4.012 -7.506 1.00 0.00 O ATOM 324 C5' C B 3 -4.012 4.583 -8.637 1.00 0.00 C ATOM 325 C4' C B 3 -2.531 4.908 -8.371 1.00 0.00 C ATOM 326 O4' C B 3 -2.350 5.846 -7.310 1.00 0.00 O ATOM 327 C3' C B 3 -1.712 3.677 -7.986 1.00 0.00 C ATOM 328 O3' C B 3 -1.314 2.895 -9.101 1.00 0.00 O ATOM 329 C2' C B 3 -0.535 4.363 -7.314 1.00 0.00 C ATOM 330 O2' C B 3 0.359 4.916 -8.258 1.00 0.00 O ATOM 331 C1' C B 3 -1.192 5.504 -6.544 1.00 0.00 C ATOM 332 N1 C B 3 -1.525 5.103 -5.146 1.00 0.00 N ATOM 333 C2 C B 3 -0.475 4.857 -4.258 1.00 0.00 C ATOM 334 O2 C B 3 0.691 5.045 -4.598 1.00 0.00 O ATOM 335 N3 C B 3 -0.767 4.416 -2.999 1.00 0.00 N ATOM 336 C4 C B 3 -2.037 4.205 -2.619 1.00 0.00 C ATOM 337 N4 C B 3 -2.284 3.778 -1.377 1.00 0.00 N ATOM 338 C5 C B 3 -3.131 4.495 -3.497 1.00 0.00 C ATOM 339 C6 C B 3 -2.821 4.944 -4.734 1.00 0.00 C ATOM 0 H5' C B 3 -4.535 5.495 -8.926 1.00 0.00 H new ATOM 0 H5'' C B 3 -4.084 3.894 -9.478 1.00 0.00 H new ATOM 0 H4' C B 3 -2.186 5.323 -9.318 1.00 0.00 H new ATOM 0 H3' C B 3 -2.246 2.951 -7.374 1.00 0.00 H new ATOM 0 H2' C B 3 0.043 3.669 -6.703 1.00 0.00 H new ATOM 0 HO2' C B 3 1.102 5.350 -7.789 1.00 0.00 H new ATOM 0 H1' C B 3 -0.528 6.361 -6.430 1.00 0.00 H new ATOM 0 H41 C B 3 -3.245 3.614 -1.076 1.00 0.00 H new ATOM 0 H42 C B 3 -1.512 3.616 -0.730 1.00 0.00 H new ATOM 0 H5 C B 3 -4.156 4.361 -3.185 1.00 0.00 H new ATOM 0 H6 C B 3 -3.621 5.185 -5.419 1.00 0.00 H new ATOM 351 P A B 4 -0.697 1.409 -8.929 1.00 0.00 P ATOM 352 OP1 A B 4 -0.324 0.916 -10.273 1.00 0.00 O ATOM 353 OP2 A B 4 -1.641 0.624 -8.103 1.00 0.00 O ATOM 354 O5' A B 4 0.657 1.597 -8.069 1.00 0.00 O ATOM 355 C5' A B 4 1.862 2.073 -8.640 1.00 0.00 C ATOM 356 C4' A B 4 2.914 2.259 -7.538 1.00 0.00 C ATOM 357 O4' A B 4 2.398 2.986 -6.427 1.00 0.00 O ATOM 358 C3' A B 4 3.414 0.922 -7.004 1.00 0.00 C ATOM 359 O3' A B 4 4.442 0.394 -7.831 1.00 0.00 O ATOM 360 C2' A B 4 3.902 1.366 -5.634 1.00 0.00 C ATOM 361 O2' A B 4 5.218 1.871 -5.664 1.00 0.00 O ATOM 362 C1' A B 4 2.918 2.445 -5.220 1.00 0.00 C ATOM 363 N9 A B 4 1.841 1.953 -4.321 1.00 0.00 N ATOM 364 C8 A B 4 0.511 1.727 -4.581 1.00 0.00 C ATOM 365 N7 A B 4 -0.201 1.436 -3.527 1.00 0.00 N ATOM 366 C5 A B 4 0.720 1.464 -2.487 1.00 0.00 C ATOM 367 C6 A B 4 0.607 1.283 -1.091 1.00 0.00 C ATOM 368 N6 A B 4 -0.557 1.056 -0.474 1.00 0.00 N ATOM 369 N1 A B 4 1.723 1.369 -0.341 1.00 0.00 N ATOM 370 C2 A B 4 2.884 1.628 -0.936 1.00 0.00 C ATOM 371 N3 A B 4 3.119 1.835 -2.230 1.00 0.00 N ATOM 372 C4 A B 4 1.976 1.744 -2.966 1.00 0.00 C ATOM 0 H5' A B 4 1.685 3.019 -9.152 1.00 0.00 H new ATOM 0 H5'' A B 4 2.225 1.369 -9.389 1.00 0.00 H new ATOM 0 H4' A B 4 3.729 2.812 -8.005 1.00 0.00 H new ATOM 0 H3' A B 4 2.686 0.111 -6.972 1.00 0.00 H new ATOM 0 H2' A B 4 3.941 0.530 -4.935 1.00 0.00 H new ATOM 0 HO2' A B 4 5.484 2.144 -4.761 1.00 0.00 H new ATOM 0 H1' A B 4 3.426 3.205 -4.626 1.00 0.00 H new ATOM 0 H8 A B 4 0.090 1.785 -5.574 1.00 0.00 H new ATOM 0 H61 A B 4 -0.582 0.932 0.538 1.00 0.00 H new ATOM 0 H62 A B 4 -1.420 1.007 -1.015 1.00 0.00 H new ATOM 0 H2 A B 4 3.746 1.677 -0.287 1.00 0.00 H new ATOM 384 P DC B 5 4.825 -1.174 -7.850 1.00 0.00 P ATOM 385 OP1 DC B 5 5.952 -1.358 -8.791 1.00 0.00 O ATOM 386 OP2 DC B 5 3.577 -1.945 -8.044 1.00 0.00 O ATOM 387 O5' DC B 5 5.361 -1.475 -6.363 1.00 0.00 O ATOM 388 C5' DC B 5 6.652 -1.091 -5.923 1.00 0.00 C ATOM 389 C4' DC B 5 6.686 -1.292 -4.404 1.00 0.00 C ATOM 390 O4' DC B 5 5.515 -0.731 -3.844 1.00 0.00 O ATOM 391 C3' DC B 5 6.731 -2.774 -4.034 1.00 0.00 C ATOM 392 O3' DC B 5 8.054 -3.132 -3.655 1.00 0.00 O ATOM 393 C2' DC B 5 5.736 -2.864 -2.893 1.00 0.00 C ATOM 394 C1' DC B 5 5.187 -1.460 -2.682 1.00 0.00 C ATOM 395 N1 DC B 5 3.726 -1.536 -2.407 1.00 0.00 N ATOM 396 C2 DC B 5 3.320 -1.817 -1.102 1.00 0.00 C ATOM 397 O2 DC B 5 4.141 -1.947 -0.198 1.00 0.00 O ATOM 398 N3 DC B 5 1.989 -1.952 -0.844 1.00 0.00 N ATOM 399 C4 DC B 5 1.079 -1.858 -1.823 1.00 0.00 C ATOM 400 N4 DC B 5 -0.213 -1.975 -1.505 1.00 0.00 N ATOM 401 C5 DC B 5 1.475 -1.615 -3.182 1.00 0.00 C ATOM 402 C6 DC B 5 2.799 -1.467 -3.417 1.00 0.00 C ATOM 0 H5' DC B 5 6.853 -0.051 -6.179 1.00 0.00 H new ATOM 0 H5'' DC B 5 7.420 -1.693 -6.409 1.00 0.00 H new ATOM 0 H4' DC B 5 7.584 -0.809 -4.018 1.00 0.00 H new ATOM 0 H3' DC B 5 6.476 -3.459 -4.842 1.00 0.00 H new ATOM 0 H2' DC B 5 4.934 -3.562 -3.133 1.00 0.00 H new ATOM 0 H2'' DC B 5 6.218 -3.232 -1.987 1.00 0.00 H new ATOM 0 H1' DC B 5 5.618 -0.953 -1.819 1.00 0.00 H new ATOM 0 H41 DC B 5 -0.925 -1.907 -2.232 1.00 0.00 H new ATOM 0 H42 DC B 5 -0.487 -2.132 -0.535 1.00 0.00 H new ATOM 0 H5 DC B 5 0.749 -1.553 -3.979 1.00 0.00 H new ATOM 0 H6 DC B 5 3.136 -1.290 -4.428 1.00 0.00 H new ATOM 414 P DT B 6 8.494 -4.646 -3.278 1.00 0.00 P ATOM 415 OP1 DT B 6 9.972 -4.707 -3.314 1.00 0.00 O ATOM 416 OP2 DT B 6 7.704 -5.577 -4.115 1.00 0.00 O ATOM 417 O5' DT B 6 8.028 -4.846 -1.744 1.00 0.00 O ATOM 418 C5' DT B 6 8.596 -4.103 -0.676 1.00 0.00 C ATOM 419 C4' DT B 6 7.889 -4.488 0.629 1.00 0.00 C ATOM 420 O4' DT B 6 6.503 -4.249 0.490 1.00 0.00 O ATOM 421 C3' DT B 6 8.100 -5.961 1.001 1.00 0.00 C ATOM 422 O3' DT B 6 8.592 -6.030 2.337 1.00 0.00 O ATOM 423 C2' DT B 6 6.686 -6.514 0.877 1.00 0.00 C ATOM 424 C1' DT B 6 5.837 -5.279 1.175 1.00 0.00 C ATOM 425 N1 DT B 6 4.427 -5.354 0.714 1.00 0.00 N ATOM 426 C2 DT B 6 3.396 -5.095 1.620 1.00 0.00 C ATOM 427 O2 DT B 6 3.568 -4.977 2.830 1.00 0.00 O ATOM 428 N3 DT B 6 2.124 -4.977 1.081 1.00 0.00 N ATOM 429 C4 DT B 6 1.785 -5.121 -0.255 1.00 0.00 C ATOM 430 O4 DT B 6 0.613 -5.008 -0.609 1.00 0.00 O ATOM 431 C5 DT B 6 2.911 -5.392 -1.131 1.00 0.00 C ATOM 432 C7 DT B 6 2.676 -5.540 -2.621 1.00 0.00 C ATOM 433 C6 DT B 6 4.166 -5.494 -0.624 1.00 0.00 C ATOM 0 H5' DT B 6 8.489 -3.034 -0.862 1.00 0.00 H new ATOM 0 H5'' DT B 6 9.664 -4.308 -0.601 1.00 0.00 H new ATOM 0 H4' DT B 6 8.319 -3.880 1.425 1.00 0.00 H new ATOM 0 H3' DT B 6 8.818 -6.508 0.390 1.00 0.00 H new ATOM 0 H2' DT B 6 6.490 -6.914 -0.118 1.00 0.00 H new ATOM 0 H2'' DT B 6 6.499 -7.319 1.587 1.00 0.00 H new ATOM 0 H1' DT B 6 5.750 -5.143 2.253 1.00 0.00 H new ATOM 0 H3 DT B 6 1.366 -4.764 1.729 1.00 0.00 H new ATOM 0 H71 DT B 6 1.676 -5.939 -2.794 1.00 0.00 H new ATOM 0 H72 DT B 6 2.767 -4.566 -3.102 1.00 0.00 H new ATOM 0 H73 DT B 6 3.416 -6.222 -3.040 1.00 0.00 H new ATOM 0 H6 DT B 6 4.986 -5.692 -1.298 1.00 0.00 H new ATOM 446 P DG B 7 8.852 -7.425 3.121 1.00 0.00 P ATOM 447 OP1 DG B 7 9.824 -7.162 4.205 1.00 0.00 O ATOM 448 OP2 DG B 7 9.145 -8.471 2.116 1.00 0.00 O ATOM 449 O5' DG B 7 7.421 -7.773 3.802 1.00 0.00 O ATOM 450 C5' DG B 7 6.952 -7.091 4.952 1.00 0.00 C ATOM 451 C4' DG B 7 5.604 -7.648 5.442 1.00 0.00 C ATOM 452 O4' DG B 7 4.547 -7.304 4.562 1.00 0.00 O ATOM 453 C3' DG B 7 5.592 -9.181 5.568 1.00 0.00 C ATOM 454 O3' DG B 7 5.291 -9.519 6.918 1.00 0.00 O ATOM 455 C2' DG B 7 4.514 -9.604 4.579 1.00 0.00 C ATOM 456 C1' DG B 7 3.620 -8.372 4.582 1.00 0.00 C ATOM 457 N9 DG B 7 2.707 -8.296 3.432 1.00 0.00 N ATOM 458 C8 DG B 7 3.058 -8.363 2.125 1.00 0.00 C ATOM 459 N7 DG B 7 2.081 -8.182 1.283 1.00 0.00 N ATOM 460 C5 DG B 7 0.979 -7.988 2.112 1.00 0.00 C ATOM 461 C6 DG B 7 -0.391 -7.754 1.783 1.00 0.00 C ATOM 462 O6 DG B 7 -0.885 -7.595 0.669 1.00 0.00 O ATOM 463 N1 DG B 7 -1.209 -7.721 2.911 1.00 0.00 N ATOM 464 C2 DG B 7 -0.754 -7.849 4.211 1.00 0.00 C ATOM 465 N2 DG B 7 -1.663 -7.813 5.191 1.00 0.00 N ATOM 466 N3 DG B 7 0.540 -8.017 4.524 1.00 0.00 N ATOM 467 C4 DG B 7 1.350 -8.084 3.434 1.00 0.00 C ATOM 0 H5' DG B 7 6.845 -6.030 4.726 1.00 0.00 H new ATOM 0 H5'' DG B 7 7.690 -7.175 5.749 1.00 0.00 H new ATOM 0 H4' DG B 7 5.463 -7.199 6.425 1.00 0.00 H new ATOM 0 H3' DG B 7 6.535 -9.679 5.344 1.00 0.00 H new ATOM 0 H2' DG B 7 4.921 -9.816 3.590 1.00 0.00 H new ATOM 0 H2'' DG B 7 3.984 -10.499 4.904 1.00 0.00 H new ATOM 0 H1' DG B 7 2.950 -8.369 5.442 1.00 0.00 H new ATOM 0 H8 DG B 7 4.072 -8.552 1.805 1.00 0.00 H new ATOM 0 H1 DG B 7 -2.211 -7.594 2.768 1.00 0.00 H new ATOM 0 H21 DG B 7 -1.369 -7.904 6.163 1.00 0.00 H new ATOM 0 H22 DG B 7 -2.651 -7.695 4.966 1.00 0.00 H new ATOM 479 P DC B 8 5.050 -11.036 7.433 1.00 0.00 P ATOM 480 OP1 DC B 8 5.469 -11.113 8.850 1.00 0.00 O ATOM 481 OP2 DC B 8 5.636 -11.968 6.444 1.00 0.00 O ATOM 482 O5' DC B 8 3.439 -11.191 7.378 1.00 0.00 O ATOM 483 C5' DC B 8 2.604 -10.609 8.366 1.00 0.00 C ATOM 484 C4' DC B 8 1.122 -10.844 8.048 1.00 0.00 C ATOM 485 O4' DC B 8 0.795 -10.361 6.756 1.00 0.00 O ATOM 486 C3' DC B 8 0.738 -12.326 8.067 1.00 0.00 C ATOM 487 O3' DC B 8 0.082 -12.660 9.273 1.00 0.00 O ATOM 488 C2' DC B 8 -0.203 -12.475 6.871 1.00 0.00 C ATOM 489 C1' DC B 8 -0.349 -11.064 6.298 1.00 0.00 C ATOM 490 N1 DC B 8 -0.415 -11.094 4.809 1.00 0.00 N ATOM 491 C2 DC B 8 -1.648 -10.962 4.164 1.00 0.00 C ATOM 492 O2 DC B 8 -2.694 -10.857 4.800 1.00 0.00 O ATOM 493 N3 DC B 8 -1.669 -10.943 2.798 1.00 0.00 N ATOM 494 C4 DC B 8 -0.541 -11.080 2.083 1.00 0.00 C ATOM 495 N4 DC B 8 -0.606 -11.009 0.750 1.00 0.00 N ATOM 496 C5 DC B 8 0.728 -11.265 2.724 1.00 0.00 C ATOM 497 C6 DC B 8 0.733 -11.260 4.077 1.00 0.00 C ATOM 0 H5' DC B 8 2.800 -9.539 8.427 1.00 0.00 H new ATOM 0 H5'' DC B 8 2.841 -11.033 9.342 1.00 0.00 H new ATOM 0 H4' DC B 8 0.577 -10.311 8.826 1.00 0.00 H new ATOM 0 H3' DC B 8 1.602 -12.987 8.006 1.00 0.00 H new ATOM 0 H2' DC B 8 0.208 -13.161 6.130 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.169 -12.878 7.177 1.00 0.00 H new ATOM 0 HO3' DC B 8 -0.156 -13.611 9.264 1.00 0.00 H new ATOM 0 H1' DC B 8 -1.272 -10.583 6.622 1.00 0.00 H new ATOM 0 H41 DC B 8 0.242 -11.111 0.192 1.00 0.00 H new ATOM 0 H42 DC B 8 -1.503 -10.853 0.291 1.00 0.00 H new ATOM 0 H5 DC B 8 1.636 -11.402 2.155 1.00 0.00 H new ATOM 0 H6 DC B 8 1.670 -11.391 4.597 1.00 0.00 H new TER 510 DC B 8