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= -0.16 USER MOD Single : A 11 NCG O3 : rot 180:sc= 0 USER MOD Single : A 11 NCG O4 : rot 126:sc= 1.12 USER MOD Single : A 11 NCG O82 : rot 28:sc= 0.148 USER MOD Single : A 11 NCG OXA : rot 180:sc= 0 USER MOD Single : A 11 NCG OXS : rot -151:sc= 0.0275 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 8.926 -4.128 4.621 1.00 0.00 O ATOM 2 C5' DG A 1 8.596 -5.352 3.960 1.00 0.00 C ATOM 3 C4' DG A 1 7.104 -5.440 3.654 1.00 0.00 C ATOM 4 O4' DG A 1 6.342 -5.355 4.860 1.00 0.00 O ATOM 5 C3' DG A 1 6.675 -4.305 2.730 1.00 0.00 C ATOM 6 O3' DG A 1 6.049 -4.820 1.552 1.00 0.00 O ATOM 7 C2' DG A 1 5.697 -3.475 3.554 1.00 0.00 C ATOM 8 C1' DG A 1 5.333 -4.348 4.751 1.00 0.00 C ATOM 9 N9 DG A 1 5.246 -3.542 5.984 1.00 0.00 N ATOM 10 C8 DG A 1 6.214 -2.824 6.638 1.00 0.00 C ATOM 11 N7 DG A 1 5.848 -2.205 7.725 1.00 0.00 N ATOM 12 C5 DG A 1 4.501 -2.543 7.802 1.00 0.00 C ATOM 13 C6 DG A 1 3.540 -2.170 8.778 1.00 0.00 C ATOM 14 O6 DG A 1 3.695 -1.466 9.773 1.00 0.00 O ATOM 15 N1 DG A 1 2.291 -2.713 8.506 1.00 0.00 N ATOM 16 C2 DG A 1 2.000 -3.519 7.422 1.00 0.00 C ATOM 17 N2 DG A 1 0.742 -3.945 7.315 1.00 0.00 N ATOM 18 N3 DG A 1 2.906 -3.871 6.501 1.00 0.00 N ATOM 19 C4 DG A 1 4.127 -3.348 6.758 1.00 0.00 C ATOM 0 H5' DG A 1 8.890 -6.195 4.586 1.00 0.00 H new ATOM 0 H5'' DG A 1 9.164 -5.430 3.033 1.00 0.00 H new ATOM 0 H4' DG A 1 6.922 -6.398 3.166 1.00 0.00 H new ATOM 0 H3' DG A 1 7.522 -3.711 2.388 1.00 0.00 H new ATOM 0 H2' DG A 1 6.151 -2.537 3.875 1.00 0.00 H new ATOM 0 H2'' DG A 1 4.812 -3.218 2.972 1.00 0.00 H new ATOM 0 HO5' DG A 1 9.888 -4.104 4.804 1.00 0.00 H new ATOM 0 H1' DG A 1 4.354 -4.806 4.610 1.00 0.00 H new ATOM 0 H8 DG A 1 7.228 -2.774 6.271 1.00 0.00 H new ATOM 0 H1 DG A 1 1.533 -2.501 9.154 1.00 0.00 H new ATOM 0 H21 DG A 1 0.471 -4.543 6.534 1.00 0.00 H new ATOM 0 H22 DG A 1 0.050 -3.673 8.014 1.00 0.00 H new ATOM 32 P DC A 2 5.317 -3.847 0.497 1.00 0.00 P ATOM 33 OP1 DC A 2 5.335 -4.506 -0.829 1.00 0.00 O ATOM 34 OP2 DC A 2 5.875 -2.485 0.650 1.00 0.00 O ATOM 35 O5' DC A 2 3.797 -3.824 1.027 1.00 0.00 O ATOM 36 C5' DC A 2 2.943 -4.958 0.856 1.00 0.00 C ATOM 37 C4' DC A 2 1.488 -4.633 1.176 1.00 0.00 C ATOM 38 O4' DC A 2 1.348 -4.228 2.541 1.00 0.00 O ATOM 39 C3' DC A 2 0.971 -3.512 0.281 1.00 0.00 C ATOM 40 O3' DC A 2 -0.093 -3.975 -0.556 1.00 0.00 O ATOM 41 C2' DC A 2 0.482 -2.425 1.231 1.00 0.00 C ATOM 42 C1' DC A 2 0.814 -2.906 2.640 1.00 0.00 C ATOM 43 N1 DC A 2 1.784 -2.006 3.290 1.00 0.00 N ATOM 44 C2 DC A 2 1.531 -1.625 4.596 1.00 0.00 C ATOM 45 O2 DC A 2 0.506 -2.004 5.159 1.00 0.00 O ATOM 46 N3 DC A 2 2.425 -0.819 5.223 1.00 0.00 N ATOM 47 C4 DC A 2 3.530 -0.401 4.592 1.00 0.00 C ATOM 48 N4 DC A 2 4.400 0.374 5.239 1.00 0.00 N ATOM 49 C5 DC A 2 3.800 -0.785 3.238 1.00 0.00 C ATOM 50 C6 DC A 2 2.902 -1.588 2.627 1.00 0.00 C ATOM 0 H5' DC A 2 3.283 -5.768 1.501 1.00 0.00 H new ATOM 0 H5'' DC A 2 3.017 -5.315 -0.171 1.00 0.00 H new ATOM 0 H4' DC A 2 0.907 -5.538 0.999 1.00 0.00 H new ATOM 0 H3' DC A 2 1.748 -3.142 -0.388 1.00 0.00 H new ATOM 0 H2' DC A 2 0.972 -1.475 1.019 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.590 -2.263 1.118 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.088 -2.907 3.252 1.00 0.00 H new ATOM 0 H41 DC A 2 5.244 0.697 4.767 1.00 0.00 H new ATOM 0 H42 DC A 2 4.221 0.644 6.206 1.00 0.00 H new ATOM 0 H5 DC A 2 4.688 -0.445 2.726 1.00 0.00 H new ATOM 0 H6 DC A 2 3.069 -1.902 1.607 1.00 0.00 H new ATOM 62 P DC A 3 -0.584 -3.109 -1.821 1.00 0.00 P ATOM 63 OP1 DC A 3 -1.494 -3.949 -2.631 1.00 0.00 O ATOM 64 OP2 DC A 3 0.604 -2.490 -2.449 1.00 0.00 O ATOM 65 O5' DC A 3 -1.453 -1.938 -1.137 1.00 0.00 O ATOM 66 C5' DC A 3 -2.665 -2.237 -0.438 1.00 0.00 C ATOM 67 C4' DC A 3 -3.473 -0.978 -0.144 1.00 0.00 C ATOM 68 O4' DC A 3 -2.693 -0.036 0.598 1.00 0.00 O ATOM 69 C3' DC A 3 -3.928 -0.311 -1.438 1.00 0.00 C ATOM 70 O3' DC A 3 -5.345 -0.114 -1.426 1.00 0.00 O ATOM 71 C2' DC A 3 -3.186 1.021 -1.470 1.00 0.00 C ATOM 72 C1' DC A 3 -2.725 1.246 -0.034 1.00 0.00 C ATOM 73 N1 DC A 3 -1.404 1.900 0.011 1.00 0.00 N ATOM 74 C2 DC A 3 -1.280 3.035 0.792 1.00 0.00 C ATOM 75 O2 DC A 3 -2.247 3.458 1.420 1.00 0.00 O ATOM 76 N3 DC A 3 -0.075 3.658 0.848 1.00 0.00 N ATOM 77 C4 DC A 3 0.972 3.184 0.159 1.00 0.00 C ATOM 78 N4 DC A 3 2.141 3.821 0.232 1.00 0.00 N ATOM 79 C5 DC A 3 0.854 2.011 -0.653 1.00 0.00 C ATOM 80 C6 DC A 3 -0.350 1.401 -0.699 1.00 0.00 C ATOM 0 H5' DC A 3 -2.430 -2.745 0.497 1.00 0.00 H new ATOM 0 H5'' DC A 3 -3.267 -2.925 -1.032 1.00 0.00 H new ATOM 0 H4' DC A 3 -4.342 -1.280 0.440 1.00 0.00 H new ATOM 0 H3' DC A 3 -3.711 -0.916 -2.319 1.00 0.00 H new ATOM 0 H2' DC A 3 -2.340 0.986 -2.156 1.00 0.00 H new ATOM 0 H2'' DC A 3 -3.836 1.828 -1.807 1.00 0.00 H new ATOM 0 H1' DC A 3 -3.410 1.914 0.488 1.00 0.00 H new ATOM 0 H41 DC A 3 2.946 3.471 -0.287 1.00 0.00 H new ATOM 0 H42 DC A 3 2.230 4.659 0.807 1.00 0.00 H new ATOM 0 H5 DC A 3 1.697 1.628 -1.209 1.00 0.00 H new ATOM 0 H6 DC A 3 -0.480 0.514 -1.301 1.00 0.00 H new ATOM 92 P DA A 4 -6.108 0.537 -2.684 1.00 0.00 P ATOM 93 OP1 DA A 4 -7.565 0.427 -2.446 1.00 0.00 O ATOM 94 OP2 DA A 4 -5.520 -0.018 -3.924 1.00 0.00 O ATOM 95 O5' DA A 4 -5.699 2.091 -2.584 1.00 0.00 O ATOM 96 C5' DA A 4 -6.018 2.868 -1.426 1.00 0.00 C ATOM 97 C4' DA A 4 -5.309 4.218 -1.453 1.00 0.00 C ATOM 98 O4' DA A 4 -3.898 4.040 -1.599 1.00 0.00 O ATOM 99 C3' DA A 4 -5.805 5.061 -2.623 1.00 0.00 C ATOM 100 O3' DA A 4 -6.020 6.410 -2.198 1.00 0.00 O ATOM 101 C2' DA A 4 -4.676 4.966 -3.643 1.00 0.00 C ATOM 102 C1' DA A 4 -3.439 4.636 -2.814 1.00 0.00 C ATOM 103 N9 DA A 4 -2.521 3.736 -3.539 1.00 0.00 N ATOM 104 C8 DA A 4 -2.786 2.648 -4.330 1.00 0.00 C ATOM 105 N7 DA A 4 -1.758 2.033 -4.846 1.00 0.00 N ATOM 106 C5 DA A 4 -0.701 2.791 -4.351 1.00 0.00 C ATOM 107 C6 DA A 4 0.691 2.695 -4.509 1.00 0.00 C ATOM 108 N6 DA A 4 1.278 1.750 -5.243 1.00 0.00 N ATOM 109 N1 DA A 4 1.450 3.603 -3.885 1.00 0.00 N ATOM 110 C2 DA A 4 0.896 4.554 -3.148 1.00 0.00 C ATOM 111 N3 DA A 4 -0.396 4.744 -2.925 1.00 0.00 N ATOM 112 C4 DA A 4 -1.149 3.818 -3.562 1.00 0.00 C ATOM 0 H5' DA A 4 -5.730 2.321 -0.528 1.00 0.00 H new ATOM 0 H5'' DA A 4 -7.096 3.022 -1.374 1.00 0.00 H new ATOM 0 H4' DA A 4 -5.527 4.723 -0.512 1.00 0.00 H new ATOM 0 H3' DA A 4 -6.756 4.721 -3.033 1.00 0.00 H new ATOM 0 H2' DA A 4 -4.875 4.192 -4.384 1.00 0.00 H new ATOM 0 H2'' DA A 4 -4.552 5.903 -4.186 1.00 0.00 H new ATOM 0 H1' DA A 4 -2.869 5.542 -2.608 1.00 0.00 H new ATOM 0 H8 DA A 4 -3.797 2.316 -4.517 1.00 0.00 H new ATOM 0 H61 DA A 4 2.294 1.726 -5.325 1.00 0.00 H new ATOM 0 H62 DA A 4 0.711 1.051 -5.723 1.00 0.00 H new ATOM 0 H2 DA A 4 1.572 5.252 -2.677 1.00 0.00 H new ATOM 124 P DG A 5 -6.494 7.568 -3.211 1.00 0.00 P ATOM 125 OP1 DG A 5 -7.833 8.030 -2.781 1.00 0.00 O ATOM 126 OP2 DG A 5 -6.289 7.097 -4.600 1.00 0.00 O ATOM 127 O5' DG A 5 -5.438 8.746 -2.916 1.00 0.00 O ATOM 128 C5' DG A 5 -5.197 9.196 -1.580 1.00 0.00 C ATOM 129 C4' DG A 5 -3.709 9.214 -1.244 1.00 0.00 C ATOM 130 O4' DG A 5 -3.036 8.123 -1.879 1.00 0.00 O ATOM 131 C3' DG A 5 -3.054 10.514 -1.699 1.00 0.00 C ATOM 132 O3' DG A 5 -2.376 11.140 -0.606 1.00 0.00 O ATOM 133 C2' DG A 5 -2.070 10.104 -2.791 1.00 0.00 C ATOM 134 C1' DG A 5 -1.956 8.586 -2.694 1.00 0.00 C ATOM 135 N9 DG A 5 -2.002 7.971 -4.034 1.00 0.00 N ATOM 136 C8 DG A 5 -3.080 7.635 -4.811 1.00 0.00 C ATOM 137 N7 DG A 5 -2.821 7.095 -5.969 1.00 0.00 N ATOM 138 C5 DG A 5 -1.430 7.069 -5.963 1.00 0.00 C ATOM 139 C6 DG A 5 -0.542 6.590 -6.960 1.00 0.00 C ATOM 140 O6 DG A 5 -0.813 6.090 -8.050 1.00 0.00 O ATOM 141 N1 DG A 5 0.785 6.737 -6.583 1.00 0.00 N ATOM 142 C2 DG A 5 1.209 7.282 -5.386 1.00 0.00 C ATOM 143 N2 DG A 5 2.526 7.351 -5.195 1.00 0.00 N ATOM 144 N3 DG A 5 0.372 7.733 -4.443 1.00 0.00 N ATOM 145 C4 DG A 5 -0.927 7.594 -4.802 1.00 0.00 C ATOM 0 H5' DG A 5 -5.719 8.546 -0.878 1.00 0.00 H new ATOM 0 H5'' DG A 5 -5.609 10.197 -1.454 1.00 0.00 H new ATOM 0 H4' DG A 5 -3.624 9.126 -0.161 1.00 0.00 H new ATOM 0 H3' DG A 5 -3.783 11.237 -2.066 1.00 0.00 H new ATOM 0 H2' DG A 5 -2.428 10.408 -3.775 1.00 0.00 H new ATOM 0 H2'' DG A 5 -1.101 10.580 -2.643 1.00 0.00 H new ATOM 0 H1' DG A 5 -1.002 8.304 -2.249 1.00 0.00 H new ATOM 0 H8 DG A 5 -4.093 7.809 -4.480 1.00 0.00 H new ATOM 0 H1 DG A 5 1.500 6.420 -7.237 1.00 0.00 H new ATOM 0 H21 DG A 5 2.896 7.744 -4.330 1.00 0.00 H new ATOM 0 H22 DG A 5 3.164 7.011 -5.914 1.00 0.00 H new ATOM 157 P DA A 6 -1.712 12.598 -0.762 1.00 0.00 P ATOM 158 OP1 DA A 6 -2.787 13.565 -1.081 1.00 0.00 O ATOM 159 OP2 DA A 6 -0.541 12.481 -1.660 1.00 0.00 O ATOM 160 O5' DA A 6 -1.174 12.908 0.723 1.00 0.00 O ATOM 161 C5' DA A 6 -1.974 13.630 1.665 1.00 0.00 C ATOM 162 C4' DA A 6 -2.057 12.915 3.010 1.00 0.00 C ATOM 163 O4' DA A 6 -2.646 11.621 2.855 1.00 0.00 O ATOM 164 C3' DA A 6 -0.675 12.751 3.631 1.00 0.00 C ATOM 165 O3' DA A 6 -0.548 13.538 4.818 1.00 0.00 O ATOM 166 C2' DA A 6 -0.548 11.264 3.943 1.00 0.00 C ATOM 167 C1' DA A 6 -1.787 10.595 3.358 1.00 0.00 C ATOM 168 N9 DA A 6 -1.444 9.642 2.286 1.00 0.00 N ATOM 169 C8 DA A 6 -0.421 9.653 1.373 1.00 0.00 C ATOM 170 N7 DA A 6 -0.378 8.663 0.526 1.00 0.00 N ATOM 171 C5 DA A 6 -1.487 7.917 0.909 1.00 0.00 C ATOM 172 C6 DA A 6 -2.042 6.722 0.423 1.00 0.00 C ATOM 173 N6 DA A 6 -1.534 6.041 -0.604 1.00 0.00 N ATOM 174 N1 DA A 6 -3.142 6.258 1.029 1.00 0.00 N ATOM 175 C2 DA A 6 -3.678 6.915 2.046 1.00 0.00 C ATOM 176 N3 DA A 6 -3.248 8.043 2.590 1.00 0.00 N ATOM 177 C4 DA A 6 -2.135 8.498 1.967 1.00 0.00 C ATOM 0 H5' DA A 6 -2.978 13.762 1.262 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.555 14.626 1.809 1.00 0.00 H new ATOM 0 H4' DA A 6 -2.676 13.527 3.666 1.00 0.00 H new ATOM 0 H3' DA A 6 0.113 13.091 2.959 1.00 0.00 H new ATOM 0 H2' DA A 6 0.360 10.851 3.504 1.00 0.00 H new ATOM 0 H2'' DA A 6 -0.487 11.096 5.018 1.00 0.00 H new ATOM 0 H1' DA A 6 -2.286 10.022 4.139 1.00 0.00 H new ATOM 0 H8 DA A 6 0.314 10.444 1.356 1.00 0.00 H new ATOM 0 H61 DA A 6 -1.980 5.178 -0.914 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.699 6.383 -1.080 1.00 0.00 H new ATOM 0 H2 DA A 6 -4.567 6.482 2.481 1.00 0.00 H new ATOM 189 P DG A 7 0.725 13.381 5.792 1.00 0.00 P ATOM 190 OP1 DG A 7 0.703 14.498 6.762 1.00 0.00 O ATOM 191 OP2 DG A 7 1.925 13.156 4.957 1.00 0.00 O ATOM 192 O5' DG A 7 0.400 12.018 6.586 1.00 0.00 O ATOM 193 C5' DG A 7 -0.776 11.905 7.390 1.00 0.00 C ATOM 194 C4' DG A 7 -0.913 10.517 8.006 1.00 0.00 C ATOM 195 O4' DG A 7 -0.993 9.509 6.995 1.00 0.00 O ATOM 196 C3' DG A 7 0.275 10.191 8.904 1.00 0.00 C ATOM 197 O3' DG A 7 -0.083 10.303 10.283 1.00 0.00 O ATOM 198 C2' DG A 7 0.661 8.759 8.544 1.00 0.00 C ATOM 199 C1' DG A 7 -0.230 8.360 7.372 1.00 0.00 C ATOM 200 N9 DG A 7 0.568 7.874 6.230 1.00 0.00 N ATOM 201 C8 DG A 7 1.873 8.128 5.892 1.00 0.00 C ATOM 202 N7 DG A 7 2.318 7.564 4.805 1.00 0.00 N ATOM 203 C5 DG A 7 1.197 6.862 4.373 1.00 0.00 C ATOM 204 C6 DG A 7 1.045 6.039 3.227 1.00 0.00 C ATOM 205 O6 DG A 7 1.883 5.770 2.369 1.00 0.00 O ATOM 206 N1 DG A 7 -0.233 5.506 3.137 1.00 0.00 N ATOM 207 C2 DG A 7 -1.246 5.740 4.046 1.00 0.00 C ATOM 208 N2 DG A 7 -2.413 5.141 3.811 1.00 0.00 N ATOM 209 N3 DG A 7 -1.107 6.517 5.128 1.00 0.00 N ATOM 210 C4 DG A 7 0.138 7.041 5.225 1.00 0.00 C ATOM 0 H5' DG A 7 -1.654 12.120 6.781 1.00 0.00 H new ATOM 0 H5'' DG A 7 -0.747 12.653 8.183 1.00 0.00 H new ATOM 0 H4' DG A 7 -1.830 10.527 8.595 1.00 0.00 H new ATOM 0 H3' DG A 7 1.105 10.881 8.754 1.00 0.00 H new ATOM 0 H2' DG A 7 1.714 8.697 8.271 1.00 0.00 H new ATOM 0 H2'' DG A 7 0.511 8.091 9.392 1.00 0.00 H new ATOM 0 H1' DG A 7 -0.887 7.543 7.671 1.00 0.00 H new ATOM 0 H8 DG A 7 2.501 8.765 6.498 1.00 0.00 H new ATOM 0 H1 DG A 7 -0.439 4.899 2.344 1.00 0.00 H new ATOM 0 H21 DG A 7 -3.195 5.280 4.451 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.524 4.544 2.991 1.00 0.00 H new ATOM 222 P DA A 8 1.047 10.370 11.429 1.00 0.00 P ATOM 223 OP1 DA A 8 0.426 10.904 12.661 1.00 0.00 O ATOM 224 OP2 DA A 8 2.246 11.029 10.863 1.00 0.00 O ATOM 225 O5' DA A 8 1.396 8.818 11.672 1.00 0.00 O ATOM 226 C5' DA A 8 0.412 7.917 12.186 1.00 0.00 C ATOM 227 C4' DA A 8 1.045 6.627 12.696 1.00 0.00 C ATOM 228 O4' DA A 8 1.830 6.010 11.672 1.00 0.00 O ATOM 229 C3' DA A 8 1.950 6.901 13.893 1.00 0.00 C ATOM 230 O3' DA A 8 1.430 6.286 15.075 1.00 0.00 O ATOM 231 C2' DA A 8 3.322 6.362 13.501 1.00 0.00 C ATOM 232 C1' DA A 8 3.125 5.655 12.165 1.00 0.00 C ATOM 233 N9 DA A 8 4.175 6.035 11.199 1.00 0.00 N ATOM 234 C8 DA A 8 4.807 7.236 11.009 1.00 0.00 C ATOM 235 N7 DA A 8 5.706 7.286 10.065 1.00 0.00 N ATOM 236 C5 DA A 8 5.670 5.984 9.578 1.00 0.00 C ATOM 237 C6 DA A 8 6.380 5.336 8.555 1.00 0.00 C ATOM 238 N6 DA A 8 7.307 5.943 7.814 1.00 0.00 N ATOM 239 N1 DA A 8 6.105 4.045 8.328 1.00 0.00 N ATOM 240 C2 DA A 8 5.192 3.416 9.052 1.00 0.00 C ATOM 241 N3 DA A 8 4.463 3.918 10.036 1.00 0.00 N ATOM 242 C4 DA A 8 4.752 5.223 10.254 1.00 0.00 C ATOM 0 H5' DA A 8 -0.312 7.684 11.405 1.00 0.00 H new ATOM 0 H5'' DA A 8 -0.136 8.399 12.996 1.00 0.00 H new ATOM 0 H4' DA A 8 0.233 5.963 12.993 1.00 0.00 H new ATOM 0 H3' DA A 8 2.013 7.963 14.130 1.00 0.00 H new ATOM 0 H2' DA A 8 4.049 7.170 13.412 1.00 0.00 H new ATOM 0 H2'' DA A 8 3.702 5.673 14.256 1.00 0.00 H new ATOM 0 H1' DA A 8 3.197 4.576 12.301 1.00 0.00 H new ATOM 0 H8 DA A 8 4.572 8.100 11.612 1.00 0.00 H new ATOM 0 H61 DA A 8 7.794 5.426 7.082 1.00 0.00 H new ATOM 0 H62 DA A 8 7.529 6.925 7.979 1.00 0.00 H new ATOM 0 H2 DA A 8 5.023 2.376 8.813 1.00 0.00 H new ATOM 254 P DG A 9 1.599 4.719 15.401 1.00 0.00 P ATOM 255 OP1 DG A 9 1.161 4.493 16.797 1.00 0.00 O ATOM 256 OP2 DG A 9 2.948 4.278 14.981 1.00 0.00 O ATOM 257 O5' DG A 9 0.517 4.036 14.424 1.00 0.00 O ATOM 258 C5' DG A 9 -0.879 4.305 14.578 1.00 0.00 C ATOM 259 C4' DG A 9 -1.735 3.399 13.700 1.00 0.00 C ATOM 260 O4' DG A 9 -1.334 3.495 12.330 1.00 0.00 O ATOM 261 C3' DG A 9 -1.612 1.944 14.138 1.00 0.00 C ATOM 262 O3' DG A 9 -2.864 1.455 14.627 1.00 0.00 O ATOM 263 C2' DG A 9 -1.174 1.182 12.893 1.00 0.00 C ATOM 264 C1' DG A 9 -1.179 2.195 11.753 1.00 0.00 C ATOM 265 N9 DG A 9 0.070 2.109 10.972 1.00 0.00 N ATOM 266 C8 DG A 9 1.270 2.742 11.169 1.00 0.00 C ATOM 267 N7 DG A 9 2.215 2.486 10.307 1.00 0.00 N ATOM 268 C5 DG A 9 1.579 1.593 9.451 1.00 0.00 C ATOM 269 C6 DG A 9 2.093 0.947 8.298 1.00 0.00 C ATOM 270 O6 DG A 9 3.218 1.044 7.810 1.00 0.00 O ATOM 271 N1 DG A 9 1.150 0.121 7.702 1.00 0.00 N ATOM 272 C2 DG A 9 -0.138 -0.062 8.167 1.00 0.00 C ATOM 273 N2 DG A 9 -0.906 -0.912 7.486 1.00 0.00 N ATOM 274 N3 DG A 9 -0.626 0.548 9.255 1.00 0.00 N ATOM 275 C4 DG A 9 0.287 1.357 9.842 1.00 0.00 C ATOM 0 H5' DG A 9 -1.077 5.347 14.326 1.00 0.00 H new ATOM 0 H5'' DG A 9 -1.161 4.170 15.622 1.00 0.00 H new ATOM 0 H4' DG A 9 -2.769 3.728 13.806 1.00 0.00 H new ATOM 0 H3' DG A 9 -0.898 1.824 14.952 1.00 0.00 H new ATOM 0 H2' DG A 9 -0.181 0.752 13.028 1.00 0.00 H new ATOM 0 H2'' DG A 9 -1.853 0.356 12.683 1.00 0.00 H new ATOM 0 H1' DG A 9 -1.999 1.989 11.065 1.00 0.00 H new ATOM 0 H8 DG A 9 1.425 3.419 11.996 1.00 0.00 H new ATOM 0 H1 DG A 9 1.427 -0.386 6.862 1.00 0.00 H new ATOM 0 H21 DG A 9 -1.866 -1.085 7.786 1.00 0.00 H new ATOM 0 H22 DG A 9 -0.534 -1.390 6.665 1.00 0.00 H new ATOM 287 P DC A 10 -2.963 0.035 15.382 1.00 0.00 P ATOM 288 OP1 DC A 10 -4.127 0.075 16.296 1.00 0.00 O ATOM 289 OP2 DC A 10 -1.625 -0.308 15.911 1.00 0.00 O ATOM 290 O5' DC A 10 -3.298 -0.983 14.181 1.00 0.00 O ATOM 291 C5' DC A 10 -4.584 -0.987 13.555 1.00 0.00 C ATOM 292 C4' DC A 10 -4.685 -2.077 12.494 1.00 0.00 C ATOM 293 O4' DC A 10 -3.730 -1.857 11.453 1.00 0.00 O ATOM 294 C3' DC A 10 -4.428 -3.451 13.104 1.00 0.00 C ATOM 295 O3' DC A 10 -5.621 -4.240 13.130 1.00 0.00 O ATOM 296 C2' DC A 10 -3.365 -4.090 12.217 1.00 0.00 C ATOM 297 C1' DC A 10 -2.852 -2.977 11.310 1.00 0.00 C ATOM 298 N1 DC A 10 -1.469 -2.593 11.648 1.00 0.00 N ATOM 299 C2 DC A 10 -0.560 -2.519 10.608 1.00 0.00 C ATOM 300 O2 DC A 10 -0.900 -2.820 9.466 1.00 0.00 O ATOM 301 N3 DC A 10 0.711 -2.124 10.882 1.00 0.00 N ATOM 302 C4 DC A 10 1.080 -1.814 12.131 1.00 0.00 C ATOM 303 N4 DC A 10 2.332 -1.415 12.358 1.00 0.00 N ATOM 304 C5 DC A 10 0.148 -1.894 13.217 1.00 0.00 C ATOM 305 C6 DC A 10 -1.111 -2.287 12.930 1.00 0.00 C ATOM 0 H5' DC A 10 -4.771 -0.015 13.099 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.356 -1.139 14.309 1.00 0.00 H new ATOM 0 H4' DC A 10 -5.694 -2.041 12.083 1.00 0.00 H new ATOM 0 H3' DC A 10 -4.100 -3.376 14.141 1.00 0.00 H new ATOM 0 H2' DC A 10 -2.557 -4.509 12.816 1.00 0.00 H new ATOM 0 H2'' DC A 10 -3.785 -4.908 11.632 1.00 0.00 H new ATOM 0 HO3' DC A 10 -5.426 -5.116 13.524 1.00 0.00 H new ATOM 0 H1' DC A 10 -2.838 -3.327 10.278 1.00 0.00 H new ATOM 0 H41 DC A 10 2.627 -1.176 13.305 1.00 0.00 H new ATOM 0 H42 DC A 10 2.994 -1.349 11.585 1.00 0.00 H new ATOM 0 H5 DC A 10 0.442 -1.649 14.227 1.00 0.00 H new ATOM 0 H6 DC A 10 -1.842 -2.360 13.722 1.00 0.00 H new TER 318 DC A 10 HETATM 319 C1 NCG A 11 -3.817 0.779 4.525 1.00 0.00 C HETATM 320 C2 NCG A 11 -3.685 -0.316 3.730 1.00 0.00 C HETATM 321 C3 NCG A 11 -3.664 -1.567 4.265 1.00 0.00 C HETATM 322 C4 NCG A 11 -3.768 -1.735 5.661 1.00 0.00 C HETATM 323 C5 NCG A 11 -3.890 -0.637 6.455 1.00 0.00 C HETATM 324 C6 NCG A 11 -3.924 0.614 5.921 1.00 0.00 C HETATM 325 C7 NCG A 11 -3.541 -2.874 3.654 1.00 0.00 C HETATM 326 C8 NCG A 11 -3.574 -3.838 4.669 1.00 0.00 C HETATM 327 C9 NCG A 11 -3.720 -3.161 6.011 1.00 0.00 C HETATM 328 C10 NCG A 11 -4.042 1.941 6.543 1.00 0.00 C HETATM 329 C11 NCG A 11 -3.393 2.868 5.514 1.00 0.00 C HETATM 330 C12 NCG A 11 -3.857 2.214 4.212 1.00 0.00 C HETATM 331 C13 NCG A 11 -5.016 -3.591 6.696 1.00 0.00 C HETATM 332 O14 NCG A 11 -6.122 -3.006 6.049 1.00 0.00 O HETATM 333 C15 NCG A 11 -6.659 -2.141 6.942 1.00 0.00 C HETATM 334 O16 NCG A 11 -6.084 -2.099 8.167 1.00 0.00 O HETATM 335 C17 NCG A 11 -5.065 -3.069 8.132 1.00 0.00 C HETATM 336 O19 NCG A 11 -7.609 -1.422 6.657 1.00 0.00 O HETATM 337 O26 NCG A 11 -1.990 2.825 5.616 1.00 0.00 O HETATM 338 C27 NCG A 11 -1.525 3.623 6.606 1.00 0.00 C HETATM 339 O28 NCG A 11 -2.348 4.066 7.397 1.00 0.00 O HETATM 340 O29 NCG A 11 -2.595 -3.439 6.808 1.00 0.00 O HETATM 341 C68 NCG A 11 -0.103 3.933 6.730 1.00 0.00 C HETATM 342 C69 NCG A 11 1.455 2.372 3.779 1.00 0.00 C HETATM 343 C70 NCG A 11 0.479 2.770 4.674 1.00 0.00 C HETATM 344 C71 NCG A 11 0.860 3.521 5.797 1.00 0.00 C HETATM 345 C72 NCG A 11 2.227 3.858 5.982 1.00 0.00 C HETATM 346 C73 NCG A 11 3.200 3.451 5.056 1.00 0.00 C HETATM 347 C74 NCG A 11 2.783 2.708 3.966 1.00 0.00 C HETATM 348 C75 NCG A 11 0.331 4.668 7.818 1.00 0.00 C HETATM 349 C76 NCG A 11 1.662 4.997 8.000 1.00 0.00 C HETATM 350 C77 NCG A 11 2.634 4.606 7.097 1.00 0.00 C HETATM 351 O82 NCG A 11 -0.582 5.093 8.762 1.00 0.00 O HETATM 352 C83 NCG A 11 4.659 3.798 5.229 1.00 0.00 C HETATM 353 O87 NCG A 11 1.122 1.629 2.665 1.00 0.00 O HETATM 354 C88 NCG A 11 -0.047 0.881 2.900 1.00 0.00 C HETATM 355 C94 NCG A 11 -6.790 3.330 2.297 1.00 0.00 C HETATM 356 C95 NCG A 11 -5.548 2.487 2.594 1.00 0.00 C HETATM 357 O96 NCG A 11 -5.824 1.122 2.397 1.00 0.00 O HETATM 358 C97 NCG A 11 -6.827 0.622 3.248 1.00 0.00 C HETATM 359 C98 NCG A 11 -7.960 2.850 3.157 1.00 0.00 C HETATM 360 C99 NCG A 11 -8.147 1.344 2.972 1.00 0.00 C HETATM 361 OXS NCG A 11 -8.572 1.069 1.660 1.00 0.00 O HETATM 362 CXU NCG A 11 -7.004 -0.876 2.997 1.00 0.00 C HETATM 363 OXX NCG A 11 -5.177 2.622 3.943 1.00 0.00 O HETATM 364 NX0 NCG A 11 -6.528 4.735 2.535 1.00 0.00 N HETATM 365 CX2 NCG A 11 -6.528 5.391 3.829 1.00 0.00 C HETATM 366 OXA NCG A 11 -9.137 3.519 2.783 1.00 0.00 O HETATM 367 N NCG A 11 -7.615 3.077 9.032 1.00 0.00 N HETATM 368 CA NCG A 11 -7.666 1.713 8.520 1.00 0.00 C HETATM 369 CB NCG A 11 -6.306 1.264 7.985 1.00 0.00 C HETATM 370 SG NCG A 11 -5.775 2.399 6.692 1.00 0.00 S HETATM 371 C NCG A 11 -8.101 0.720 9.600 1.00 0.00 C HETATM 372 O5 NCG A 11 -8.012 1.035 10.780 1.00 0.00 O HETATM 373 N1 NCG A 11 -8.621 -0.582 9.229 1.00 0.00 N HETATM 374 C21 NCG A 11 -8.172 -1.614 10.158 1.00 0.00 C HETATM 375 C22 NCG A 11 -9.169 -1.858 11.292 1.00 0.00 C HETATM 376 O2 NCG A 11 -8.785 -1.890 12.456 1.00 0.00 O HETATM 377 O3 NCG A 11 -10.506 -2.054 11.012 1.00 0.00 O HETATM 378 C20 NCG A 11 -7.556 4.025 7.936 1.00 0.00 C HETATM 379 O34 NCG A 11 -8.208 3.819 6.919 1.00 0.00 O HETATM 380 C18 NCG A 11 -6.692 5.283 8.039 1.00 0.00 C HETATM 381 C14 NCG A 11 -5.261 4.927 8.444 1.00 0.00 C HETATM 382 C16 NCG A 11 -4.389 6.184 8.448 1.00 0.00 C HETATM 383 C19 NCG A 11 -4.056 6.623 7.021 1.00 0.00 C HETATM 384 O1 NCG A 11 -4.570 6.062 6.060 1.00 0.00 O HETATM 385 O4 NCG A 11 -3.168 7.657 6.810 1.00 0.00 O HETATM 386 N2 NCG A 11 -3.167 5.934 9.189 1.00 0.00 N HETATM 0 HNM3 NCG A 11 4.776 4.882 5.246 1.00 0.00 H new HETATM 0 HNM2 NCG A 11 5.024 3.379 6.167 1.00 0.00 H new HETATM 0 HNM1 NCG A 11 5.232 3.384 4.399 1.00 0.00 H new HETATM 0 HFM3 NCG A 11 -7.293 -1.039 1.959 1.00 0.00 H new HETATM 0 HFM2 NCG A 11 -6.065 -1.392 3.198 1.00 0.00 H new HETATM 0 HFM1 NCG A 11 -7.781 -1.266 3.655 1.00 0.00 H new HETATM 0 H7M3 NCG A 11 0.116 0.205 3.739 1.00 0.00 H new HETATM 0 H7M2 NCG A 11 -0.870 1.556 3.133 1.00 0.00 H new HETATM 0 H7M1 NCG A 11 -0.293 0.302 2.010 1.00 0.00 H new HETATM 0 H2M3 NCG A 11 -7.510 5.286 4.290 1.00 0.00 H new HETATM 0 H2M2 NCG A 11 -5.775 4.932 4.470 1.00 0.00 H new HETATM 0 H2M1 NCG A 11 -6.299 6.449 3.701 1.00 0.00 H new HETATM 0 H14B NCG A 11 -5.274 -3.878 8.832 1.00 0.00 H new HETATM 0 H14A NCG A 11 -4.107 -2.637 8.421 1.00 0.00 H new HETATM 0 H120 NCG A 11 -9.882 3.205 3.337 1.00 0.00 H new HETATM 0 H108 NCG A 11 -6.326 5.314 1.720 1.00 0.00 H new HETATM 0 H104 NCG A 11 -9.102 1.821 1.323 1.00 0.00 H new HETATM 0 HB2 NCG A 11 -5.573 1.244 8.792 1.00 0.00 H new HETATM 0 HB1 NCG A 11 -6.374 0.250 7.590 1.00 0.00 H new HETATM 0 HA NCG A 11 -8.398 1.721 7.712 1.00 0.00 H new HETATM 0 H92 NCG A 11 -1.339 4.471 8.788 1.00 0.00 H new HETATM 0 H9 NCG A 11 -7.620 3.329 10.020 1.00 0.00 H new HETATM 0 H8B NCG A 11 -0.566 2.506 4.511 1.00 0.00 H new HETATM 0 H8 NCG A 11 -3.595 -0.190 2.651 1.00 0.00 H new HETATM 0 H7 NCG A 11 -8.013 -2.544 9.613 1.00 0.00 H new HETATM 0 H6B NCG A 11 3.521 2.379 3.235 1.00 0.00 H new HETATM 0 H66 NCG A 11 -2.581 -4.393 7.033 1.00 0.00 H new HETATM 0 H6 NCG A 11 -3.440 -3.073 2.587 1.00 0.00 H new HETATM 0 H5' NCG A 11 -6.536 0.788 4.285 1.00 0.00 H new HETATM 0 H5 NCG A 11 -3.505 -4.915 4.514 1.00 0.00 H new HETATM 0 H4B NCG A 11 3.681 4.870 7.247 1.00 0.00 H new HETATM 0 H4' NCG A 11 -8.904 0.992 3.672 1.00 0.00 H new HETATM 0 H4 NCG A 11 -10.997 -2.204 11.847 1.00 0.00 H new HETATM 0 H3B NCG A 11 1.952 5.578 8.876 1.00 0.00 H new HETATM 0 H3' NCG A 11 -7.745 3.065 4.204 1.00 0.00 H new HETATM 0 H3 NCG A 11 -9.222 -0.754 8.423 1.00 0.00 H new HETATM 0 H21 NCG A 11 -2.457 7.359 6.205 1.00 0.00 H new HETATM 0 H20 NCG A 11 -2.471 6.673 9.289 1.00 0.00 H new HETATM 0 H2' NCG A 11 -7.050 3.210 1.245 1.00 0.00 H new HETATM 0 H2 NCG A 11 -3.962 -0.761 7.536 1.00 0.00 H new HETATM 0 H19 NCG A 11 -3.004 5.019 9.610 1.00 0.00 H new HETATM 0 H18 NCG A 11 -4.946 6.987 8.931 1.00 0.00 H new HETATM 0 H17 NCG A 11 -5.258 4.469 9.433 1.00 0.00 H new HETATM 0 H16 NCG A 11 -4.851 4.192 7.751 1.00 0.00 H new HETATM 0 H15 NCG A 11 -6.685 5.804 7.082 1.00 0.00 H new HETATM 0 H14 NCG A 11 -7.123 5.966 8.771 1.00 0.00 H new HETATM 0 H13 NCG A 11 -5.049 -4.680 6.663 1.00 0.00 H new HETATM 0 H12 NCG A 11 -3.593 1.982 7.535 1.00 0.00 H new HETATM 0 H11 NCG A 11 -3.659 3.920 5.619 1.00 0.00 H new HETATM 0 H10 NCG A 11 -3.253 2.472 3.342 1.00 0.00 H new HETATM 0 H1' NCG A 11 -4.756 2.831 1.928 1.00 0.00 H new HETATM 0 H1 NCG A 11 -7.210 -1.324 10.581 1.00 0.00 H new