USER MOD reduce.3.24.130724 H: found=0, std=0, add=164, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 165 hydrogens (53 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 180:sc= 0 USER MOD Single : A 10 DC O3' : rot 180:sc= 0 USER MOD Single : A 11 NCG O29 : rot 180:sc= -0.205 USER MOD Single : A 11 NCG O3 : rot 180:sc= 0 USER MOD Single : A 11 NCG O4 : rot 139:sc= 1.11 USER MOD Single : A 11 NCG O82 : rot 24:sc= 0.683 USER MOD Single : A 11 NCG OXA : rot 180:sc= 0 USER MOD Single : A 11 NCG OXS : rot -156:sc= 0.0577 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 8.414 -5.268 5.191 1.00 0.00 O ATOM 2 C5' DG A 1 7.921 -6.286 4.316 1.00 0.00 C ATOM 3 C4' DG A 1 6.521 -5.960 3.807 1.00 0.00 C ATOM 4 O4' DG A 1 5.606 -5.845 4.899 1.00 0.00 O ATOM 5 C3' DG A 1 6.522 -4.645 3.032 1.00 0.00 C ATOM 6 O3' DG A 1 6.077 -4.847 1.688 1.00 0.00 O ATOM 7 C2' DG A 1 5.578 -3.729 3.805 1.00 0.00 C ATOM 8 C1' DG A 1 4.886 -4.611 4.838 1.00 0.00 C ATOM 9 N9 DG A 1 4.863 -3.948 6.155 1.00 0.00 N ATOM 10 C8 DG A 1 5.897 -3.441 6.900 1.00 0.00 C ATOM 11 N7 DG A 1 5.585 -2.907 8.048 1.00 0.00 N ATOM 12 C5 DG A 1 4.204 -3.074 8.068 1.00 0.00 C ATOM 13 C6 DG A 1 3.274 -2.691 9.070 1.00 0.00 C ATOM 14 O6 DG A 1 3.497 -2.121 10.136 1.00 0.00 O ATOM 15 N1 DG A 1 1.972 -3.030 8.727 1.00 0.00 N ATOM 16 C2 DG A 1 1.610 -3.662 7.554 1.00 0.00 C ATOM 17 N2 DG A 1 0.310 -3.903 7.380 1.00 0.00 N ATOM 18 N3 DG A 1 2.485 -4.023 6.607 1.00 0.00 N ATOM 19 C4 DG A 1 3.758 -3.698 6.933 1.00 0.00 C ATOM 0 H5' DG A 1 7.904 -7.241 4.841 1.00 0.00 H new ATOM 0 H5'' DG A 1 8.599 -6.399 3.470 1.00 0.00 H new ATOM 0 H4' DG A 1 6.210 -6.772 3.149 1.00 0.00 H new ATOM 0 H3' DG A 1 7.520 -4.214 2.952 1.00 0.00 H new ATOM 0 H2' DG A 1 6.127 -2.921 4.288 1.00 0.00 H new ATOM 0 H2'' DG A 1 4.851 -3.266 3.138 1.00 0.00 H new ATOM 0 HO5' DG A 1 9.312 -5.509 5.500 1.00 0.00 H new ATOM 0 H1' DG A 1 3.849 -4.793 4.554 1.00 0.00 H new ATOM 0 H8 DG A 1 6.919 -3.482 6.553 1.00 0.00 H new ATOM 0 H1 DG A 1 1.231 -2.796 9.388 1.00 0.00 H new ATOM 0 H21 DG A 1 -0.013 -4.367 6.531 1.00 0.00 H new ATOM 0 H22 DG A 1 -0.361 -3.623 8.096 1.00 0.00 H new ATOM 32 P DC A 2 5.655 -3.608 0.750 1.00 0.00 P ATOM 33 OP1 DC A 2 5.823 -4.016 -0.663 1.00 0.00 O ATOM 34 OP2 DC A 2 6.328 -2.390 1.250 1.00 0.00 O ATOM 35 O5' DC A 2 4.079 -3.466 1.052 1.00 0.00 O ATOM 36 C5' DC A 2 3.189 -4.559 0.811 1.00 0.00 C ATOM 37 C4' DC A 2 1.749 -4.207 1.169 1.00 0.00 C ATOM 38 O4' DC A 2 1.639 -3.879 2.556 1.00 0.00 O ATOM 39 C3' DC A 2 1.262 -3.017 0.347 1.00 0.00 C ATOM 40 O3' DC A 2 0.226 -3.410 -0.556 1.00 0.00 O ATOM 41 C2' DC A 2 0.754 -2.003 1.366 1.00 0.00 C ATOM 42 C1' DC A 2 1.062 -2.584 2.743 1.00 0.00 C ATOM 43 N1 DC A 2 1.990 -1.710 3.485 1.00 0.00 N ATOM 44 C2 DC A 2 1.626 -1.322 4.761 1.00 0.00 C ATOM 45 O2 DC A 2 0.543 -1.671 5.227 1.00 0.00 O ATOM 46 N3 DC A 2 2.480 -0.541 5.473 1.00 0.00 N ATOM 47 C4 DC A 2 3.651 -0.156 4.949 1.00 0.00 C ATOM 48 N4 DC A 2 4.475 0.604 5.672 1.00 0.00 N ATOM 49 C5 DC A 2 4.037 -0.551 3.627 1.00 0.00 C ATOM 50 C6 DC A 2 3.176 -1.325 2.931 1.00 0.00 C ATOM 0 H5' DC A 2 3.508 -5.423 1.395 1.00 0.00 H new ATOM 0 H5'' DC A 2 3.243 -4.846 -0.239 1.00 0.00 H new ATOM 0 H4' DC A 2 1.134 -5.080 0.948 1.00 0.00 H new ATOM 0 H3' DC A 2 2.056 -2.598 -0.271 1.00 0.00 H new ATOM 0 H2' DC A 2 1.245 -1.039 1.233 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.316 -1.835 1.246 1.00 0.00 H new ATOM 0 H1' DC A 2 0.145 -2.659 3.328 1.00 0.00 H new ATOM 0 H41 DC A 2 5.369 0.902 5.281 1.00 0.00 H new ATOM 0 H42 DC A 2 4.211 0.887 6.616 1.00 0.00 H new ATOM 0 H5 DC A 2 4.981 -0.242 3.203 1.00 0.00 H new ATOM 0 H6 DC A 2 3.428 -1.641 1.930 1.00 0.00 H new ATOM 62 P DC A 3 -0.257 -2.426 -1.735 1.00 0.00 P ATOM 63 OP1 DC A 3 -1.088 -3.204 -2.680 1.00 0.00 O ATOM 64 OP2 DC A 3 0.920 -1.676 -2.229 1.00 0.00 O ATOM 65 O5' DC A 3 -1.215 -1.392 -0.956 1.00 0.00 O ATOM 66 C5' DC A 3 -2.413 -1.842 -0.316 1.00 0.00 C ATOM 67 C4' DC A 3 -3.402 -0.698 -0.120 1.00 0.00 C ATOM 68 O4' DC A 3 -2.787 0.380 0.590 1.00 0.00 O ATOM 69 C3' DC A 3 -3.883 -0.168 -1.467 1.00 0.00 C ATOM 70 O3' DC A 3 -5.301 0.020 -1.448 1.00 0.00 O ATOM 71 C2' DC A 3 -3.149 1.157 -1.634 1.00 0.00 C ATOM 72 C1' DC A 3 -2.745 1.559 -0.219 1.00 0.00 C ATOM 73 N1 DC A 3 -1.412 2.186 -0.169 1.00 0.00 N ATOM 74 C2 DC A 3 -1.255 3.247 0.705 1.00 0.00 C ATOM 75 O2 DC A 3 -2.196 3.603 1.412 1.00 0.00 O ATOM 76 N3 DC A 3 -0.049 3.865 0.772 1.00 0.00 N ATOM 77 C4 DC A 3 0.972 3.457 0.007 1.00 0.00 C ATOM 78 N4 DC A 3 2.143 4.089 0.091 1.00 0.00 N ATOM 79 C5 DC A 3 0.822 2.356 -0.898 1.00 0.00 C ATOM 80 C6 DC A 3 -0.382 1.751 -0.953 1.00 0.00 C ATOM 0 H5' DC A 3 -2.168 -2.283 0.650 1.00 0.00 H new ATOM 0 H5'' DC A 3 -2.875 -2.626 -0.916 1.00 0.00 H new ATOM 0 H4' DC A 3 -4.246 -1.086 0.450 1.00 0.00 H new ATOM 0 H3' DC A 3 -3.680 -0.852 -2.291 1.00 0.00 H new ATOM 0 H2' DC A 3 -2.277 1.048 -2.279 1.00 0.00 H new ATOM 0 H2'' DC A 3 -3.791 1.910 -2.091 1.00 0.00 H new ATOM 0 H1' DC A 3 -3.439 2.312 0.154 1.00 0.00 H new ATOM 0 H41 DC A 3 2.928 3.787 -0.486 1.00 0.00 H new ATOM 0 H42 DC A 3 2.254 4.874 0.733 1.00 0.00 H new ATOM 0 H5 DC A 3 1.644 2.023 -1.514 1.00 0.00 H new ATOM 0 H6 DC A 3 -0.533 0.917 -1.622 1.00 0.00 H new ATOM 92 P DA A 4 -6.089 0.612 -2.721 1.00 0.00 P ATOM 93 OP1 DA A 4 -7.539 0.417 -2.497 1.00 0.00 O ATOM 94 OP2 DA A 4 -5.454 0.081 -3.948 1.00 0.00 O ATOM 95 O5' DA A 4 -5.775 2.189 -2.634 1.00 0.00 O ATOM 96 C5' DA A 4 -5.876 2.892 -1.393 1.00 0.00 C ATOM 97 C4' DA A 4 -5.201 4.258 -1.466 1.00 0.00 C ATOM 98 O4' DA A 4 -3.829 4.117 -1.848 1.00 0.00 O ATOM 99 C3' DA A 4 -5.889 5.145 -2.497 1.00 0.00 C ATOM 100 O3' DA A 4 -6.018 6.477 -1.993 1.00 0.00 O ATOM 101 C2' DA A 4 -4.960 5.089 -3.705 1.00 0.00 C ATOM 102 C1' DA A 4 -3.602 4.682 -3.141 1.00 0.00 C ATOM 103 N9 DA A 4 -2.926 3.713 -4.024 1.00 0.00 N ATOM 104 C8 DA A 4 -3.432 2.622 -4.683 1.00 0.00 C ATOM 105 N7 DA A 4 -2.593 1.919 -5.392 1.00 0.00 N ATOM 106 C5 DA A 4 -1.405 2.617 -5.187 1.00 0.00 C ATOM 107 C6 DA A 4 -0.097 2.415 -5.655 1.00 0.00 C ATOM 108 N6 DA A 4 0.244 1.404 -6.455 1.00 0.00 N ATOM 109 N1 DA A 4 0.842 3.285 -5.265 1.00 0.00 N ATOM 110 C2 DA A 4 0.533 4.295 -4.466 1.00 0.00 C ATOM 111 N3 DA A 4 -0.657 4.586 -3.963 1.00 0.00 N ATOM 112 C4 DA A 4 -1.595 3.697 -4.366 1.00 0.00 C ATOM 0 H5' DA A 4 -5.417 2.301 -0.601 1.00 0.00 H new ATOM 0 H5'' DA A 4 -6.926 3.018 -1.130 1.00 0.00 H new ATOM 0 H4' DA A 4 -5.272 4.713 -0.478 1.00 0.00 H new ATOM 0 H3' DA A 4 -6.900 4.819 -2.744 1.00 0.00 H new ATOM 0 H2' DA A 4 -5.314 4.368 -4.442 1.00 0.00 H new ATOM 0 H2'' DA A 4 -4.906 6.055 -4.206 1.00 0.00 H new ATOM 0 H1' DA A 4 -2.948 5.551 -3.071 1.00 0.00 H new ATOM 0 H8 DA A 4 -4.477 2.357 -4.618 1.00 0.00 H new ATOM 0 H61 DA A 4 1.210 1.303 -6.766 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.461 0.731 -6.756 1.00 0.00 H new ATOM 0 H2 DA A 4 1.343 4.956 -4.194 1.00 0.00 H new ATOM 124 P DG A 5 -6.642 7.674 -2.870 1.00 0.00 P ATOM 125 OP1 DG A 5 -7.912 8.092 -2.234 1.00 0.00 O ATOM 126 OP2 DG A 5 -6.630 7.275 -4.295 1.00 0.00 O ATOM 127 O5' DG A 5 -5.565 8.853 -2.668 1.00 0.00 O ATOM 128 C5' DG A 5 -5.096 9.197 -1.362 1.00 0.00 C ATOM 129 C4' DG A 5 -3.574 9.266 -1.299 1.00 0.00 C ATOM 130 O4' DG A 5 -2.988 8.205 -2.059 1.00 0.00 O ATOM 131 C3' DG A 5 -3.052 10.593 -1.841 1.00 0.00 C ATOM 132 O3' DG A 5 -2.224 11.232 -0.866 1.00 0.00 O ATOM 133 C2' DG A 5 -2.254 10.228 -3.088 1.00 0.00 C ATOM 134 C1' DG A 5 -2.084 8.713 -3.043 1.00 0.00 C ATOM 135 N9 DG A 5 -2.354 8.111 -4.362 1.00 0.00 N ATOM 136 C8 DG A 5 -3.550 7.794 -4.952 1.00 0.00 C ATOM 137 N7 DG A 5 -3.494 7.261 -6.141 1.00 0.00 N ATOM 138 C5 DG A 5 -2.122 7.219 -6.364 1.00 0.00 C ATOM 139 C6 DG A 5 -1.419 6.736 -7.499 1.00 0.00 C ATOM 140 O6 DG A 5 -1.875 6.249 -8.531 1.00 0.00 O ATOM 141 N1 DG A 5 -0.045 6.864 -7.345 1.00 0.00 N ATOM 142 C2 DG A 5 0.578 7.391 -6.232 1.00 0.00 C ATOM 143 N2 DG A 5 1.910 7.436 -6.258 1.00 0.00 N ATOM 144 N3 DG A 5 -0.084 7.847 -5.160 1.00 0.00 N ATOM 145 C4 DG A 5 -1.426 7.727 -5.300 1.00 0.00 C ATOM 0 H5' DG A 5 -5.455 8.461 -0.643 1.00 0.00 H new ATOM 0 H5'' DG A 5 -5.515 10.160 -1.069 1.00 0.00 H new ATOM 0 H4' DG A 5 -3.295 9.172 -0.249 1.00 0.00 H new ATOM 0 H3' DG A 5 -3.855 11.293 -2.073 1.00 0.00 H new ATOM 0 H2' DG A 5 -2.779 10.536 -3.992 1.00 0.00 H new ATOM 0 H2'' DG A 5 -1.287 10.730 -3.094 1.00 0.00 H new ATOM 0 H1' DG A 5 -1.057 8.458 -2.782 1.00 0.00 H new ATOM 0 H8 DG A 5 -4.492 7.977 -4.457 1.00 0.00 H new ATOM 0 H1 DG A 5 0.548 6.545 -8.111 1.00 0.00 H new ATOM 0 H21 DG A 5 2.423 7.816 -5.462 1.00 0.00 H new ATOM 0 H22 DG A 5 2.416 7.091 -7.074 1.00 0.00 H new ATOM 157 P DA A 6 -1.762 12.766 -1.029 1.00 0.00 P ATOM 158 OP1 DA A 6 -2.975 13.606 -1.150 1.00 0.00 O ATOM 159 OP2 DA A 6 -0.718 12.829 -2.076 1.00 0.00 O ATOM 160 O5' DA A 6 -1.066 13.080 0.389 1.00 0.00 O ATOM 161 C5' DA A 6 -1.780 13.750 1.430 1.00 0.00 C ATOM 162 C4' DA A 6 -1.843 12.922 2.710 1.00 0.00 C ATOM 163 O4' DA A 6 -2.345 11.613 2.429 1.00 0.00 O ATOM 164 C3' DA A 6 -0.467 12.789 3.353 1.00 0.00 C ATOM 165 O3' DA A 6 -0.434 13.436 4.628 1.00 0.00 O ATOM 166 C2' DA A 6 -0.230 11.289 3.498 1.00 0.00 C ATOM 167 C1' DA A 6 -1.442 10.601 2.880 1.00 0.00 C ATOM 168 N9 DA A 6 -1.054 9.720 1.763 1.00 0.00 N ATOM 169 C8 DA A 6 -0.129 9.901 0.766 1.00 0.00 C ATOM 170 N7 DA A 6 -0.021 8.947 -0.117 1.00 0.00 N ATOM 171 C5 DA A 6 -0.972 8.038 0.336 1.00 0.00 C ATOM 172 C6 DA A 6 -1.392 6.787 -0.142 1.00 0.00 C ATOM 173 N6 DA A 6 -0.891 6.218 -1.239 1.00 0.00 N ATOM 174 N1 DA A 6 -2.353 6.152 0.540 1.00 0.00 N ATOM 175 C2 DA A 6 -2.883 6.699 1.624 1.00 0.00 C ATOM 176 N3 DA A 6 -2.573 7.866 2.168 1.00 0.00 N ATOM 177 C4 DA A 6 -1.598 8.493 1.467 1.00 0.00 C ATOM 0 H5' DA A 6 -2.792 13.969 1.091 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.300 14.706 1.641 1.00 0.00 H new ATOM 0 H4' DA A 6 -2.510 13.439 3.400 1.00 0.00 H new ATOM 0 H3' DA A 6 0.307 13.263 2.749 1.00 0.00 H new ATOM 0 H2' DA A 6 0.687 10.990 2.991 1.00 0.00 H new ATOM 0 H2'' DA A 6 -0.119 11.013 4.547 1.00 0.00 H new ATOM 0 H1' DA A 6 -1.921 9.970 3.629 1.00 0.00 H new ATOM 0 H8 DA A 6 0.481 10.791 0.715 1.00 0.00 H new ATOM 0 H61 DA A 6 -1.233 5.306 -1.542 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.166 6.695 -1.775 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.655 6.129 2.120 1.00 0.00 H new ATOM 189 P DG A 7 0.820 13.264 5.622 1.00 0.00 P ATOM 190 OP1 DG A 7 0.823 14.409 6.561 1.00 0.00 O ATOM 191 OP2 DG A 7 2.023 12.976 4.810 1.00 0.00 O ATOM 192 O5' DG A 7 0.444 11.935 6.451 1.00 0.00 O ATOM 193 C5' DG A 7 -0.670 11.921 7.348 1.00 0.00 C ATOM 194 C4' DG A 7 -0.828 10.574 8.045 1.00 0.00 C ATOM 195 O4' DG A 7 -0.962 9.522 7.085 1.00 0.00 O ATOM 196 C3' DG A 7 0.370 10.266 8.936 1.00 0.00 C ATOM 197 O3' DG A 7 -0.001 10.297 10.317 1.00 0.00 O ATOM 198 C2' DG A 7 0.830 8.871 8.526 1.00 0.00 C ATOM 199 C1' DG A 7 -0.095 8.429 7.396 1.00 0.00 C ATOM 200 N9 DG A 7 0.671 8.023 6.203 1.00 0.00 N ATOM 201 C8 DG A 7 1.927 8.387 5.793 1.00 0.00 C ATOM 202 N7 DG A 7 2.354 7.860 4.679 1.00 0.00 N ATOM 203 C5 DG A 7 1.273 7.065 4.309 1.00 0.00 C ATOM 204 C6 DG A 7 1.123 6.230 3.173 1.00 0.00 C ATOM 205 O6 DG A 7 1.930 6.020 2.268 1.00 0.00 O ATOM 206 N1 DG A 7 -0.110 5.592 3.156 1.00 0.00 N ATOM 207 C2 DG A 7 -1.085 5.745 4.122 1.00 0.00 C ATOM 208 N2 DG A 7 -2.215 5.056 3.952 1.00 0.00 N ATOM 209 N3 DG A 7 -0.947 6.532 5.197 1.00 0.00 N ATOM 210 C4 DG A 7 0.254 7.157 5.221 1.00 0.00 C ATOM 0 H5' DG A 7 -1.581 12.153 6.797 1.00 0.00 H new ATOM 0 H5'' DG A 7 -0.542 12.703 8.096 1.00 0.00 H new ATOM 0 H4' DG A 7 -1.727 10.635 8.659 1.00 0.00 H new ATOM 0 H3' DG A 7 1.164 11.004 8.816 1.00 0.00 H new ATOM 0 H2' DG A 7 1.868 8.886 8.195 1.00 0.00 H new ATOM 0 H2'' DG A 7 0.773 8.180 9.367 1.00 0.00 H new ATOM 0 H1' DG A 7 -0.673 7.561 7.714 1.00 0.00 H new ATOM 0 H8 DG A 7 2.533 9.076 6.364 1.00 0.00 H new ATOM 0 H1 DG A 7 -0.310 4.967 2.375 1.00 0.00 H new ATOM 0 H21 DG A 7 -2.967 5.133 4.637 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.326 4.452 3.138 1.00 0.00 H new ATOM 222 P DA A 8 1.111 10.225 11.479 1.00 0.00 P ATOM 223 OP1 DA A 8 0.519 10.773 12.720 1.00 0.00 O ATOM 224 OP2 DA A 8 2.372 10.793 10.952 1.00 0.00 O ATOM 225 O5' DA A 8 1.322 8.641 11.679 1.00 0.00 O ATOM 226 C5' DA A 8 0.271 7.813 12.183 1.00 0.00 C ATOM 227 C4' DA A 8 0.809 6.509 12.760 1.00 0.00 C ATOM 228 O4' DA A 8 1.627 5.837 11.800 1.00 0.00 O ATOM 229 C3' DA A 8 1.648 6.775 14.006 1.00 0.00 C ATOM 230 O3' DA A 8 1.134 6.060 15.132 1.00 0.00 O ATOM 231 C2' DA A 8 3.069 6.365 13.634 1.00 0.00 C ATOM 232 C1' DA A 8 2.962 5.665 12.284 1.00 0.00 C ATOM 233 N9 DA A 8 3.937 6.211 11.321 1.00 0.00 N ATOM 234 C8 DA A 8 4.465 7.471 11.216 1.00 0.00 C ATOM 235 N7 DA A 8 5.311 7.678 10.245 1.00 0.00 N ATOM 236 C5 DA A 8 5.351 6.425 9.640 1.00 0.00 C ATOM 237 C6 DA A 8 6.059 5.931 8.533 1.00 0.00 C ATOM 238 N6 DA A 8 6.895 6.677 7.809 1.00 0.00 N ATOM 239 N1 DA A 8 5.872 4.648 8.200 1.00 0.00 N ATOM 240 C2 DA A 8 5.046 3.884 8.899 1.00 0.00 C ATOM 241 N3 DA A 8 4.329 4.236 9.955 1.00 0.00 N ATOM 242 C4 DA A 8 4.529 5.535 10.279 1.00 0.00 C ATOM 0 H5' DA A 8 -0.435 7.593 11.382 1.00 0.00 H new ATOM 0 H5'' DA A 8 -0.280 8.352 12.954 1.00 0.00 H new ATOM 0 H4' DA A 8 -0.047 5.886 13.020 1.00 0.00 H new ATOM 0 H3' DA A 8 1.623 7.822 14.309 1.00 0.00 H new ATOM 0 H2' DA A 8 3.723 7.235 13.572 1.00 0.00 H new ATOM 0 H2'' DA A 8 3.493 5.700 14.386 1.00 0.00 H new ATOM 0 H1' DA A 8 3.188 4.605 12.402 1.00 0.00 H new ATOM 0 H8 DA A 8 4.193 8.257 11.905 1.00 0.00 H new ATOM 0 H61 DA A 8 7.385 6.268 7.013 1.00 0.00 H new ATOM 0 H62 DA A 8 7.044 7.657 8.051 1.00 0.00 H new ATOM 0 H2 DA A 8 4.946 2.860 8.571 1.00 0.00 H new ATOM 254 P DG A 9 1.463 4.516 15.447 1.00 0.00 P ATOM 255 OP1 DG A 9 1.225 4.285 16.890 1.00 0.00 O ATOM 256 OP2 DG A 9 2.776 4.161 14.862 1.00 0.00 O ATOM 257 O5' DG A 9 0.323 3.733 14.624 1.00 0.00 O ATOM 258 C5' DG A 9 -1.063 3.958 14.897 1.00 0.00 C ATOM 259 C4' DG A 9 -1.959 3.028 14.086 1.00 0.00 C ATOM 260 O4' DG A 9 -1.660 3.138 12.692 1.00 0.00 O ATOM 261 C3' DG A 9 -1.770 1.576 14.512 1.00 0.00 C ATOM 262 O3' DG A 9 -2.994 1.029 15.009 1.00 0.00 O ATOM 263 C2' DG A 9 -1.312 0.841 13.257 1.00 0.00 C ATOM 264 C1' DG A 9 -1.372 1.858 12.123 1.00 0.00 C ATOM 265 N9 DG A 9 -0.105 1.887 11.368 1.00 0.00 N ATOM 266 C8 DG A 9 1.056 2.571 11.624 1.00 0.00 C ATOM 267 N7 DG A 9 2.020 2.434 10.757 1.00 0.00 N ATOM 268 C5 DG A 9 1.445 1.567 9.834 1.00 0.00 C ATOM 269 C6 DG A 9 2.003 1.032 8.644 1.00 0.00 C ATOM 270 O6 DG A 9 3.121 1.231 8.172 1.00 0.00 O ATOM 271 N1 DG A 9 1.114 0.195 7.983 1.00 0.00 N ATOM 272 C2 DG A 9 -0.163 -0.094 8.421 1.00 0.00 C ATOM 273 N2 DG A 9 -0.876 -0.942 7.679 1.00 0.00 N ATOM 274 N3 DG A 9 -0.693 0.411 9.543 1.00 0.00 N ATOM 275 C4 DG A 9 0.167 1.230 10.192 1.00 0.00 C ATOM 0 H5' DG A 9 -1.314 4.994 14.670 1.00 0.00 H new ATOM 0 H5'' DG A 9 -1.253 3.810 15.960 1.00 0.00 H new ATOM 0 H4' DG A 9 -2.991 3.326 14.270 1.00 0.00 H new ATOM 0 H3' DG A 9 -1.043 1.482 15.319 1.00 0.00 H new ATOM 0 H2' DG A 9 -0.300 0.454 13.380 1.00 0.00 H new ATOM 0 H2'' DG A 9 -1.957 -0.013 13.049 1.00 0.00 H new ATOM 0 H1' DG A 9 -2.154 1.580 11.416 1.00 0.00 H new ATOM 0 H8 DG A 9 1.166 3.192 12.500 1.00 0.00 H new ATOM 0 H1 DG A 9 1.426 -0.236 7.113 1.00 0.00 H new ATOM 0 H21 DG A 9 -1.825 -1.190 7.958 1.00 0.00 H new ATOM 0 H22 DG A 9 -0.472 -1.343 6.833 1.00 0.00 H new ATOM 287 P DC A 10 -3.033 -0.423 15.706 1.00 0.00 P ATOM 288 OP1 DC A 10 -4.137 -0.437 16.690 1.00 0.00 O ATOM 289 OP2 DC A 10 -1.661 -0.768 16.140 1.00 0.00 O ATOM 290 O5' DC A 10 -3.430 -1.395 14.486 1.00 0.00 O ATOM 291 C5' DC A 10 -4.748 -1.386 13.933 1.00 0.00 C ATOM 292 C4' DC A 10 -4.928 -2.477 12.882 1.00 0.00 C ATOM 293 O4' DC A 10 -4.032 -2.271 11.786 1.00 0.00 O ATOM 294 C3' DC A 10 -4.660 -3.856 13.475 1.00 0.00 C ATOM 295 O3' DC A 10 -5.855 -4.639 13.526 1.00 0.00 O ATOM 296 C2' DC A 10 -3.628 -4.496 12.552 1.00 0.00 C ATOM 297 C1' DC A 10 -3.142 -3.380 11.631 1.00 0.00 C ATOM 298 N1 DC A 10 -1.759 -2.978 11.949 1.00 0.00 N ATOM 299 C2 DC A 10 -0.868 -2.880 10.896 1.00 0.00 C ATOM 300 O2 DC A 10 -1.234 -3.146 9.753 1.00 0.00 O ATOM 301 N3 DC A 10 0.406 -2.485 11.155 1.00 0.00 N ATOM 302 C4 DC A 10 0.792 -2.194 12.403 1.00 0.00 C ATOM 303 N4 DC A 10 2.045 -1.798 12.630 1.00 0.00 N ATOM 304 C5 DC A 10 -0.122 -2.294 13.503 1.00 0.00 C ATOM 305 C6 DC A 10 -1.384 -2.689 13.229 1.00 0.00 C ATOM 0 H5' DC A 10 -4.948 -0.413 13.485 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.478 -1.525 14.730 1.00 0.00 H new ATOM 0 H4' DC A 10 -5.959 -2.426 12.533 1.00 0.00 H new ATOM 0 H3' DC A 10 -4.301 -3.789 14.502 1.00 0.00 H new ATOM 0 H2' DC A 10 -2.802 -4.919 13.123 1.00 0.00 H new ATOM 0 H2'' DC A 10 -4.069 -5.311 11.979 1.00 0.00 H new ATOM 0 HO3' DC A 10 -5.654 -5.518 13.909 1.00 0.00 H new ATOM 0 H1' DC A 10 -3.139 -3.732 10.600 1.00 0.00 H new ATOM 0 H41 DC A 10 2.345 -1.575 13.579 1.00 0.00 H new ATOM 0 H42 DC A 10 2.703 -1.718 11.855 1.00 0.00 H new ATOM 0 H5 DC A 10 0.187 -2.062 14.512 1.00 0.00 H new ATOM 0 H6 DC A 10 -2.103 -2.777 14.030 1.00 0.00 H new TER 318 DC A 10 HETATM 319 C1 NCG A 11 -3.462 0.626 4.697 1.00 0.00 C HETATM 320 C2 NCG A 11 -3.315 -0.460 3.892 1.00 0.00 C HETATM 321 C3 NCG A 11 -3.365 -1.717 4.410 1.00 0.00 C HETATM 322 C4 NCG A 11 -3.563 -1.901 5.794 1.00 0.00 C HETATM 323 C5 NCG A 11 -3.704 -0.812 6.596 1.00 0.00 C HETATM 324 C6 NCG A 11 -3.664 0.446 6.081 1.00 0.00 C HETATM 325 C7 NCG A 11 -3.243 -3.018 3.787 1.00 0.00 C HETATM 326 C8 NCG A 11 -3.370 -3.994 4.784 1.00 0.00 C HETATM 327 C9 NCG A 11 -3.579 -3.333 6.126 1.00 0.00 C HETATM 328 C10 NCG A 11 -3.779 1.767 6.714 1.00 0.00 C HETATM 329 C11 NCG A 11 -3.038 2.689 5.744 1.00 0.00 C HETATM 330 C12 NCG A 11 -3.439 2.067 4.406 1.00 0.00 C HETATM 331 C13 NCG A 11 -4.930 -3.731 6.722 1.00 0.00 C HETATM 332 O14 NCG A 11 -5.973 -3.073 6.045 1.00 0.00 O HETATM 333 C15 NCG A 11 -6.558 -2.261 6.957 1.00 0.00 C HETATM 334 O16 NCG A 11 -6.055 -2.302 8.213 1.00 0.00 O HETATM 335 C17 NCG A 11 -5.038 -3.274 8.177 1.00 0.00 C HETATM 336 O19 NCG A 11 -7.487 -1.518 6.665 1.00 0.00 O HETATM 337 O26 NCG A 11 -1.647 2.607 5.942 1.00 0.00 O HETATM 338 C27 NCG A 11 -1.231 3.502 6.869 1.00 0.00 C HETATM 339 O28 NCG A 11 -2.060 3.867 7.694 1.00 0.00 O HETATM 340 O29 NCG A 11 -2.515 -3.664 6.982 1.00 0.00 O HETATM 341 C68 NCG A 11 0.142 3.997 6.893 1.00 0.00 C HETATM 342 C69 NCG A 11 1.607 2.821 3.726 1.00 0.00 C HETATM 343 C70 NCG A 11 0.676 3.034 4.726 1.00 0.00 C HETATM 344 C71 NCG A 11 1.061 3.769 5.857 1.00 0.00 C HETATM 345 C72 NCG A 11 2.383 4.279 5.946 1.00 0.00 C HETATM 346 C73 NCG A 11 3.310 4.056 4.917 1.00 0.00 C HETATM 347 C74 NCG A 11 2.893 3.323 3.821 1.00 0.00 C HETATM 348 C75 NCG A 11 0.573 4.730 7.983 1.00 0.00 C HETATM 349 C76 NCG A 11 1.861 5.227 8.073 1.00 0.00 C HETATM 350 C77 NCG A 11 2.789 5.016 7.070 1.00 0.00 C HETATM 351 O82 NCG A 11 -0.300 4.979 9.022 1.00 0.00 O HETATM 352 C83 NCG A 11 4.721 4.589 4.984 1.00 0.00 C HETATM 353 O87 NCG A 11 1.276 2.102 2.596 1.00 0.00 O HETATM 354 C88 NCG A 11 0.199 1.233 2.853 1.00 0.00 C HETATM 355 C94 NCG A 11 -6.188 3.234 2.289 1.00 0.00 C HETATM 356 C95 NCG A 11 -5.061 2.294 2.720 1.00 0.00 C HETATM 357 O96 NCG A 11 -5.472 0.951 2.634 1.00 0.00 O HETATM 358 C97 NCG A 11 -6.557 0.645 3.476 1.00 0.00 C HETATM 359 C98 NCG A 11 -7.459 2.945 3.088 1.00 0.00 C HETATM 360 C99 NCG A 11 -7.781 1.451 3.039 1.00 0.00 C HETATM 361 OXS NCG A 11 -8.151 1.082 1.734 1.00 0.00 O HETATM 362 CXU NCG A 11 -6.864 -0.850 3.383 1.00 0.00 C HETATM 363 OXX NCG A 11 -4.728 2.519 4.068 1.00 0.00 O HETATM 364 NX0 NCG A 11 -5.785 4.616 2.464 1.00 0.00 N HETATM 365 CX2 NCG A 11 -5.636 5.299 3.734 1.00 0.00 C HETATM 366 OXA NCG A 11 -8.535 3.674 2.551 1.00 0.00 O HETATM 367 N NCG A 11 -7.428 3.019 8.953 1.00 0.00 N HETATM 368 CA NCG A 11 -7.508 1.643 8.479 1.00 0.00 C HETATM 369 CB NCG A 11 -6.149 1.140 7.989 1.00 0.00 C HETATM 370 SG NCG A 11 -5.503 2.281 6.755 1.00 0.00 S HETATM 371 C NCG A 11 -7.992 0.690 9.573 1.00 0.00 C HETATM 372 O5 NCG A 11 -7.909 1.026 10.749 1.00 0.00 O HETATM 373 N1 NCG A 11 -8.549 -0.602 9.221 1.00 0.00 N HETATM 374 C21 NCG A 11 -8.165 -1.629 10.182 1.00 0.00 C HETATM 375 C22 NCG A 11 -9.142 -1.736 11.356 1.00 0.00 C HETATM 376 O2 NCG A 11 -8.725 -1.715 12.508 1.00 0.00 O HETATM 377 O3 NCG A 11 -10.496 -1.863 11.125 1.00 0.00 O HETATM 378 C20 NCG A 11 -7.312 3.932 7.831 1.00 0.00 C HETATM 379 O34 NCG A 11 -7.946 3.715 6.806 1.00 0.00 O HETATM 380 C18 NCG A 11 -6.415 5.168 7.918 1.00 0.00 C HETATM 381 C14 NCG A 11 -5.049 4.814 8.506 1.00 0.00 C HETATM 382 C16 NCG A 11 -4.159 6.058 8.532 1.00 0.00 C HETATM 383 C19 NCG A 11 -3.754 6.467 7.114 1.00 0.00 C HETATM 384 O1 NCG A 11 -4.146 5.830 6.144 1.00 0.00 O HETATM 385 O4 NCG A 11 -2.945 7.569 6.920 1.00 0.00 O HETATM 386 N2 NCG A 11 -2.980 5.809 9.337 1.00 0.00 N HETATM 0 HNM3 NCG A 11 4.696 5.676 5.058 1.00 0.00 H new HETATM 0 HNM2 NCG A 11 5.224 4.177 5.859 1.00 0.00 H new HETATM 0 HNM1 NCG A 11 5.263 4.299 4.084 1.00 0.00 H new HETATM 0 HFM3 NCG A 11 -7.118 -1.106 2.354 1.00 0.00 H new HETATM 0 HFM2 NCG A 11 -5.989 -1.421 3.694 1.00 0.00 H new HETATM 0 HFM1 NCG A 11 -7.704 -1.090 4.034 1.00 0.00 H new HETATM 0 H7M3 NCG A 11 0.475 0.536 3.644 1.00 0.00 H new HETATM 0 H7M2 NCG A 11 -0.669 1.813 3.167 1.00 0.00 H new HETATM 0 H7M1 NCG A 11 -0.044 0.677 1.948 1.00 0.00 H new HETATM 0 H2M3 NCG A 11 -6.589 5.295 4.263 1.00 0.00 H new HETATM 0 H2M2 NCG A 11 -4.884 4.788 4.336 1.00 0.00 H new HETATM 0 H2M1 NCG A 11 -5.323 6.328 3.559 1.00 0.00 H new HETATM 0 H14B NCG A 11 -5.279 -4.112 8.831 1.00 0.00 H new HETATM 0 H14A NCG A 11 -4.092 -2.860 8.525 1.00 0.00 H new HETATM 0 H120 NCG A 11 -9.348 3.484 3.065 1.00 0.00 H new HETATM 0 H108 NCG A 11 -5.589 5.154 1.620 1.00 0.00 H new HETATM 0 H104 NCG A 11 -8.651 1.814 1.316 1.00 0.00 H new HETATM 0 HB2 NCG A 11 -5.455 1.059 8.825 1.00 0.00 H new HETATM 0 HB1 NCG A 11 -6.250 0.142 7.561 1.00 0.00 H new HETATM 0 HA NCG A 11 -8.224 1.652 7.657 1.00 0.00 H new HETATM 0 H92 NCG A 11 -1.003 4.296 9.030 1.00 0.00 H new HETATM 0 H9 NCG A 11 -7.450 3.300 9.933 1.00 0.00 H new HETATM 0 H8B NCG A 11 -0.336 2.639 4.637 1.00 0.00 H new HETATM 0 H8 NCG A 11 -3.156 -0.322 2.823 1.00 0.00 H new HETATM 0 H7 NCG A 11 -8.107 -2.592 9.674 1.00 0.00 H new HETATM 0 H6B NCG A 11 3.597 3.136 3.010 1.00 0.00 H new HETATM 0 H66 NCG A 11 -2.548 -4.621 7.190 1.00 0.00 H new HETATM 0 H6 NCG A 11 -3.080 -3.206 2.726 1.00 0.00 H new HETATM 0 H5' NCG A 11 -6.306 0.899 4.506 1.00 0.00 H new HETATM 0 H5 NCG A 11 -3.325 -5.070 4.616 1.00 0.00 H new HETATM 0 H4B NCG A 11 3.803 5.409 7.149 1.00 0.00 H new HETATM 0 H4' NCG A 11 -8.610 1.243 3.716 1.00 0.00 H new HETATM 0 H4 NCG A 11 -10.969 -1.925 11.981 1.00 0.00 H new HETATM 0 H3B NCG A 11 2.151 5.798 8.955 1.00 0.00 H new HETATM 0 H3' NCG A 11 -7.299 3.243 4.124 1.00 0.00 H new HETATM 0 H3 NCG A 11 -9.136 -0.771 8.404 1.00 0.00 H new HETATM 0 H21 NCG A 11 -2.287 7.373 6.221 1.00 0.00 H new HETATM 0 H20 NCG A 11 -2.280 6.542 9.457 1.00 0.00 H new HETATM 0 H2' NCG A 11 -6.397 3.063 1.233 1.00 0.00 H new HETATM 0 H2 NCG A 11 -3.851 -0.949 7.667 1.00 0.00 H new HETATM 0 H19 NCG A 11 -2.850 4.901 9.783 1.00 0.00 H new HETATM 0 H18 NCG A 11 -4.726 6.877 8.975 1.00 0.00 H new HETATM 0 H17 NCG A 11 -5.168 4.420 9.515 1.00 0.00 H new HETATM 0 H16 NCG A 11 -4.578 4.031 7.911 1.00 0.00 H new HETATM 0 H15 NCG A 11 -6.287 5.599 6.925 1.00 0.00 H new HETATM 0 H14 NCG A 11 -6.895 5.927 8.536 1.00 0.00 H new HETATM 0 H13 NCG A 11 -5.005 -4.815 6.637 1.00 0.00 H new HETATM 0 H12 NCG A 11 -3.392 1.777 7.733 1.00 0.00 H new HETATM 0 H11 NCG A 11 -3.278 3.748 5.843 1.00 0.00 H new HETATM 0 H10 NCG A 11 -2.774 2.317 3.579 1.00 0.00 H new HETATM 0 H1' NCG A 11 -4.214 2.486 2.062 1.00 0.00 H new HETATM 0 H1 NCG A 11 -7.168 -1.409 10.564 1.00 0.00 H new