USER MOD reduce.3.24.130724 H: found=0, std=0, add=196, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 196 hydrogens (14 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=-0.00982 USER MOD Single : A 4 DT C7 :methyl -30:sc= -1.65! (180deg=-4.24!) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : A 9 PSO O14 : rot -112:sc= 0.389 USER MOD Single : B 9 DG O5' : rot -24:sc= 0.0799 USER MOD Single : B 12 DT C7 :methyl 150:sc= -2.82! (180deg=-2.82!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -3.027 -11.886 9.042 1.00 0.00 O ATOM 2 C5' DG A 1 -2.222 -12.680 9.885 1.00 0.00 C ATOM 3 C4' DG A 1 -0.727 -12.335 9.781 1.00 0.00 C ATOM 4 O4' DG A 1 -0.102 -12.922 8.638 1.00 0.00 O ATOM 5 C3' DG A 1 -0.448 -10.848 9.724 1.00 0.00 C ATOM 6 O3' DG A 1 0.739 -10.568 10.446 1.00 0.00 O ATOM 7 C2' DG A 1 -0.334 -10.632 8.237 1.00 0.00 C ATOM 8 C1' DG A 1 0.215 -11.924 7.669 1.00 0.00 C ATOM 9 N9 DG A 1 -0.415 -12.232 6.360 1.00 0.00 N ATOM 10 C8 DG A 1 -1.700 -12.659 6.147 1.00 0.00 C ATOM 11 N7 DG A 1 -2.028 -12.806 4.898 1.00 0.00 N ATOM 12 C5 DG A 1 -0.863 -12.478 4.219 1.00 0.00 C ATOM 13 C6 DG A 1 -0.603 -12.491 2.820 1.00 0.00 C ATOM 14 O6 DG A 1 -1.390 -12.735 1.910 1.00 0.00 O ATOM 15 N1 DG A 1 0.710 -12.187 2.515 1.00 0.00 N ATOM 16 C2 DG A 1 1.663 -11.861 3.448 1.00 0.00 C ATOM 17 N2 DG A 1 2.891 -11.614 2.999 1.00 0.00 N ATOM 18 N3 DG A 1 1.424 -11.805 4.770 1.00 0.00 N ATOM 19 C4 DG A 1 0.142 -12.140 5.096 1.00 0.00 C ATOM 0 H5' DG A 1 -2.366 -13.731 9.633 1.00 0.00 H new ATOM 0 H5'' DG A 1 -2.549 -12.552 10.917 1.00 0.00 H new ATOM 0 H4' DG A 1 -0.309 -12.749 10.699 1.00 0.00 H new ATOM 0 H3' DG A 1 -1.193 -10.192 10.174 1.00 0.00 H new ATOM 0 H2' DG A 1 -1.305 -10.396 7.801 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.328 -9.795 8.014 1.00 0.00 H new ATOM 0 HO5' DG A 1 -3.966 -12.147 9.146 1.00 0.00 H new ATOM 0 H1' DG A 1 1.288 -11.867 7.485 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.388 -12.858 6.956 1.00 0.00 H new ATOM 0 H1 DG A 1 0.989 -12.206 1.534 1.00 0.00 H new ATOM 0 H21 DG A 1 3.633 -11.368 3.654 1.00 0.00 H new ATOM 0 H22 DG A 1 3.090 -11.671 2.000 1.00 0.00 H new ATOM 32 P DC A 2 1.276 -9.067 10.689 1.00 0.00 P ATOM 33 OP1 DC A 2 1.953 -9.030 12.003 1.00 0.00 O ATOM 34 OP2 DC A 2 0.177 -8.121 10.399 1.00 0.00 O ATOM 35 O5' DC A 2 2.395 -8.917 9.543 1.00 0.00 O ATOM 36 C5' DC A 2 3.481 -9.815 9.484 1.00 0.00 C ATOM 37 C4' DC A 2 4.531 -9.374 8.462 1.00 0.00 C ATOM 38 O4' DC A 2 4.091 -9.518 7.114 1.00 0.00 O ATOM 39 C3' DC A 2 4.936 -7.912 8.629 1.00 0.00 C ATOM 40 O3' DC A 2 6.327 -7.924 8.383 1.00 0.00 O ATOM 41 C2' DC A 2 4.050 -7.228 7.585 1.00 0.00 C ATOM 42 C1' DC A 2 3.973 -8.261 6.452 1.00 0.00 C ATOM 43 N1 DC A 2 2.669 -8.301 5.706 1.00 0.00 N ATOM 44 C2 DC A 2 2.676 -8.640 4.355 1.00 0.00 C ATOM 45 O2 DC A 2 3.736 -8.823 3.761 1.00 0.00 O ATOM 46 N3 DC A 2 1.496 -8.773 3.673 1.00 0.00 N ATOM 47 C4 DC A 2 0.331 -8.588 4.310 1.00 0.00 C ATOM 48 N4 DC A 2 -0.805 -8.819 3.659 1.00 0.00 N ATOM 49 C5 DC A 2 0.276 -8.272 5.700 1.00 0.00 C ATOM 50 C6 DC A 2 1.460 -8.168 6.344 1.00 0.00 C ATOM 0 H5' DC A 2 3.117 -10.809 9.224 1.00 0.00 H new ATOM 0 H5'' DC A 2 3.942 -9.892 10.469 1.00 0.00 H new ATOM 0 H4' DC A 2 5.377 -10.033 8.657 1.00 0.00 H new ATOM 0 H3' DC A 2 4.797 -7.400 9.581 1.00 0.00 H new ATOM 0 H2' DC A 2 3.063 -6.996 7.985 1.00 0.00 H new ATOM 0 H2'' DC A 2 4.484 -6.288 7.243 1.00 0.00 H new ATOM 0 H1' DC A 2 4.739 -8.016 5.716 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.699 -8.683 4.130 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.782 -9.132 2.689 1.00 0.00 H new ATOM 0 H5 DC A 2 -0.663 -8.123 6.212 1.00 0.00 H new ATOM 0 H6 DC A 2 1.455 -7.972 7.406 1.00 0.00 H new ATOM 62 P DG A 3 7.203 -6.594 8.273 1.00 0.00 P ATOM 63 OP1 DG A 3 8.607 -6.922 8.602 1.00 0.00 O ATOM 64 OP2 DG A 3 6.506 -5.500 8.984 1.00 0.00 O ATOM 65 O5' DG A 3 7.077 -6.371 6.693 1.00 0.00 O ATOM 66 C5' DG A 3 7.602 -7.314 5.780 1.00 0.00 C ATOM 67 C4' DG A 3 7.721 -6.679 4.395 1.00 0.00 C ATOM 68 O4' DG A 3 6.437 -6.712 3.811 1.00 0.00 O ATOM 69 C3' DG A 3 8.188 -5.221 4.501 1.00 0.00 C ATOM 70 O3' DG A 3 9.088 -4.913 3.456 1.00 0.00 O ATOM 71 C2' DG A 3 6.844 -4.504 4.416 1.00 0.00 C ATOM 72 C1' DG A 3 6.032 -5.402 3.500 1.00 0.00 C ATOM 73 N9 DG A 3 4.573 -5.298 3.700 1.00 0.00 N ATOM 74 C8 DG A 3 3.858 -5.008 4.833 1.00 0.00 C ATOM 75 N7 DG A 3 2.579 -5.236 4.726 1.00 0.00 N ATOM 76 C5 DG A 3 2.420 -5.629 3.399 1.00 0.00 C ATOM 77 C6 DG A 3 1.244 -5.916 2.641 1.00 0.00 C ATOM 78 O6 DG A 3 0.081 -5.979 3.034 1.00 0.00 O ATOM 79 N1 DG A 3 1.519 -6.143 1.302 1.00 0.00 N ATOM 80 C2 DG A 3 2.782 -6.133 0.753 1.00 0.00 C ATOM 81 N2 DG A 3 2.935 -6.332 -0.550 1.00 0.00 N ATOM 82 N3 DG A 3 3.888 -5.887 1.456 1.00 0.00 N ATOM 83 C4 DG A 3 3.636 -5.637 2.763 1.00 0.00 C ATOM 0 H5' DG A 3 6.955 -8.190 5.735 1.00 0.00 H new ATOM 0 H5'' DG A 3 8.580 -7.657 6.119 1.00 0.00 H new ATOM 0 H4' DG A 3 8.450 -7.224 3.796 1.00 0.00 H new ATOM 0 H3' DG A 3 8.754 -4.951 5.393 1.00 0.00 H new ATOM 0 H2' DG A 3 6.379 -4.402 5.396 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.948 -3.499 4.007 1.00 0.00 H new ATOM 0 H1' DG A 3 6.210 -5.111 2.465 1.00 0.00 H new ATOM 0 H8 DG A 3 4.314 -4.625 5.734 1.00 0.00 H new ATOM 0 H1 DG A 3 0.732 -6.330 0.680 1.00 0.00 H new ATOM 0 H21 DG A 3 3.869 -6.325 -0.961 1.00 0.00 H new ATOM 0 H22 DG A 3 2.119 -6.492 -1.141 1.00 0.00 H new ATOM 95 P DT A 4 9.803 -3.467 3.341 1.00 0.00 P ATOM 96 OP1 DT A 4 11.168 -3.670 2.810 1.00 0.00 O ATOM 97 OP2 DT A 4 9.605 -2.741 4.615 1.00 0.00 O ATOM 98 O5' DT A 4 8.913 -2.775 2.200 1.00 0.00 O ATOM 99 C5' DT A 4 8.926 -3.308 0.895 1.00 0.00 C ATOM 100 C4' DT A 4 7.608 -3.020 0.186 1.00 0.00 C ATOM 101 O4' DT A 4 6.489 -3.216 1.023 1.00 0.00 O ATOM 102 C3' DT A 4 7.463 -1.582 -0.326 1.00 0.00 C ATOM 103 O3' DT A 4 7.969 -1.473 -1.651 1.00 0.00 O ATOM 104 C2' DT A 4 5.952 -1.364 -0.243 1.00 0.00 C ATOM 105 C1' DT A 4 5.394 -2.626 0.351 1.00 0.00 C ATOM 106 N1 DT A 4 4.270 -2.385 1.282 1.00 0.00 N ATOM 107 C2 DT A 4 3.010 -2.890 1.026 1.00 0.00 C ATOM 108 O2 DT A 4 2.683 -3.326 -0.071 1.00 0.00 O ATOM 109 N3 DT A 4 2.119 -2.885 2.069 1.00 0.00 N ATOM 110 C4 DT A 4 2.273 -2.302 3.298 1.00 0.00 C ATOM 111 O4 DT A 4 1.464 -2.533 4.193 1.00 0.00 O ATOM 112 C5 DT A 4 3.460 -1.364 3.510 1.00 0.00 C ATOM 113 C7 DT A 4 4.140 -1.508 4.871 1.00 0.00 C ATOM 114 C6 DT A 4 4.510 -1.437 2.396 1.00 0.00 C ATOM 0 H5' DT A 4 9.095 -4.384 0.937 1.00 0.00 H new ATOM 0 H5'' DT A 4 9.752 -2.878 0.329 1.00 0.00 H new ATOM 0 H4' DT A 4 7.634 -3.722 -0.648 1.00 0.00 H new ATOM 0 H3' DT A 4 8.022 -0.835 0.238 1.00 0.00 H new ATOM 0 H2' DT A 4 5.714 -0.500 0.378 1.00 0.00 H new ATOM 0 H2'' DT A 4 5.529 -1.174 -1.229 1.00 0.00 H new ATOM 0 H1' DT A 4 4.972 -3.266 -0.424 1.00 0.00 H new ATOM 0 H3 DT A 4 1.238 -3.373 1.910 1.00 0.00 H new ATOM 0 H71 DT A 4 3.406 -1.824 5.613 1.00 0.00 H new ATOM 0 H72 DT A 4 4.933 -2.253 4.804 1.00 0.00 H new ATOM 0 H73 DT A 4 4.566 -0.550 5.168 1.00 0.00 H new ATOM 0 H6 DT A 4 5.395 -0.819 2.422 1.00 0.00 H new ATOM 127 P DA A 5 7.205 -2.053 -2.979 1.00 0.00 P ATOM 128 OP1 DA A 5 6.504 -3.314 -2.655 1.00 0.00 O ATOM 129 OP2 DA A 5 8.180 -2.034 -4.090 1.00 0.00 O ATOM 130 O5' DA A 5 6.101 -0.909 -3.261 1.00 0.00 O ATOM 131 C5' DA A 5 6.510 0.439 -3.300 1.00 0.00 C ATOM 132 C4' DA A 5 5.582 1.294 -4.148 1.00 0.00 C ATOM 133 O4' DA A 5 4.355 1.320 -3.408 1.00 0.00 O ATOM 134 C3' DA A 5 6.112 2.736 -4.296 1.00 0.00 C ATOM 135 O3' DA A 5 6.054 3.364 -5.573 1.00 0.00 O ATOM 136 C2' DA A 5 5.318 3.418 -3.207 1.00 0.00 C ATOM 137 C1' DA A 5 4.021 2.641 -3.016 1.00 0.00 C ATOM 138 N9 DA A 5 3.462 2.812 -1.637 1.00 0.00 N ATOM 139 C8 DA A 5 4.108 2.968 -0.424 1.00 0.00 C ATOM 140 N7 DA A 5 3.331 3.188 0.595 1.00 0.00 N ATOM 141 C5 DA A 5 2.067 3.173 0.031 1.00 0.00 C ATOM 142 C6 DA A 5 0.789 3.313 0.590 1.00 0.00 C ATOM 143 N6 DA A 5 0.648 3.407 1.907 1.00 0.00 N ATOM 144 N1 DA A 5 -0.292 3.280 -0.214 1.00 0.00 N ATOM 145 C2 DA A 5 -0.085 3.101 -1.518 1.00 0.00 C ATOM 146 N3 DA A 5 1.066 2.952 -2.165 1.00 0.00 N ATOM 147 C4 DA A 5 2.127 2.987 -1.322 1.00 0.00 C ATOM 0 H5' DA A 5 7.523 0.499 -3.699 1.00 0.00 H new ATOM 0 H5'' DA A 5 6.543 0.837 -2.286 1.00 0.00 H new ATOM 0 H4' DA A 5 5.481 0.892 -5.156 1.00 0.00 H new ATOM 0 H3' DA A 5 7.197 2.786 -4.201 1.00 0.00 H new ATOM 0 H2' DA A 5 5.888 3.443 -2.278 1.00 0.00 H new ATOM 0 H2'' DA A 5 5.107 4.452 -3.480 1.00 0.00 H new ATOM 0 H1' DA A 5 3.189 3.000 -3.621 1.00 0.00 H new ATOM 0 H8 DA A 5 5.182 2.911 -0.330 1.00 0.00 H new ATOM 0 H61 DA A 5 -0.282 3.509 2.314 1.00 0.00 H new ATOM 0 H62 DA A 5 1.469 3.377 2.511 1.00 0.00 H new ATOM 0 H2 DA A 5 -0.973 3.073 -2.132 1.00 0.00 H new ATOM 159 P DC A 6 4.812 3.384 -6.598 1.00 0.00 P ATOM 160 OP1 DC A 6 4.335 1.998 -6.786 1.00 0.00 O ATOM 161 OP2 DC A 6 5.240 4.157 -7.783 1.00 0.00 O ATOM 162 O5' DC A 6 3.634 4.224 -5.891 1.00 0.00 O ATOM 163 C5' DC A 6 2.314 3.885 -6.233 1.00 0.00 C ATOM 164 C4' DC A 6 1.224 4.896 -5.886 1.00 0.00 C ATOM 165 O4' DC A 6 0.899 4.922 -4.491 1.00 0.00 O ATOM 166 C3' DC A 6 1.467 6.351 -6.323 1.00 0.00 C ATOM 167 O3' DC A 6 0.401 6.733 -7.182 1.00 0.00 O ATOM 168 C2' DC A 6 1.459 7.122 -4.999 1.00 0.00 C ATOM 169 C1' DC A 6 0.714 6.254 -3.996 1.00 0.00 C ATOM 170 N1 DC A 6 1.195 6.375 -2.593 1.00 0.00 N ATOM 171 C2 DC A 6 0.255 6.584 -1.586 1.00 0.00 C ATOM 172 O2 DC A 6 -0.926 6.804 -1.825 1.00 0.00 O ATOM 173 N3 DC A 6 0.637 6.547 -0.288 1.00 0.00 N ATOM 174 C4 DC A 6 1.918 6.379 0.033 1.00 0.00 C ATOM 175 N4 DC A 6 2.197 6.205 1.317 1.00 0.00 N ATOM 176 C5 DC A 6 2.920 6.193 -0.975 1.00 0.00 C ATOM 177 C6 DC A 6 2.509 6.195 -2.264 1.00 0.00 C ATOM 0 H5' DC A 6 2.069 2.942 -5.743 1.00 0.00 H new ATOM 0 H5'' DC A 6 2.279 3.705 -7.307 1.00 0.00 H new ATOM 0 H4' DC A 6 0.396 4.509 -6.480 1.00 0.00 H new ATOM 0 H3' DC A 6 2.391 6.527 -6.873 1.00 0.00 H new ATOM 0 H2' DC A 6 2.476 7.320 -4.660 1.00 0.00 H new ATOM 0 H2'' DC A 6 0.968 8.088 -5.116 1.00 0.00 H new ATOM 0 H1' DC A 6 -0.329 6.562 -3.927 1.00 0.00 H new ATOM 0 H41 DC A 6 3.163 6.072 1.615 1.00 0.00 H new ATOM 0 H42 DC A 6 1.445 6.204 2.007 1.00 0.00 H new ATOM 0 H5 DC A 6 3.960 6.057 -0.716 1.00 0.00 H new ATOM 0 H6 DC A 6 3.235 6.051 -3.050 1.00 0.00 H new ATOM 189 P DG A 7 0.216 8.240 -7.751 1.00 0.00 P ATOM 190 OP1 DG A 7 -0.513 8.155 -9.034 1.00 0.00 O ATOM 191 OP2 DG A 7 1.532 8.914 -7.699 1.00 0.00 O ATOM 192 O5' DG A 7 -0.762 8.934 -6.659 1.00 0.00 O ATOM 193 C5' DG A 7 -2.090 8.474 -6.502 1.00 0.00 C ATOM 194 C4' DG A 7 -2.933 9.298 -5.520 1.00 0.00 C ATOM 195 O4' DG A 7 -2.439 9.180 -4.199 1.00 0.00 O ATOM 196 C3' DG A 7 -2.966 10.789 -5.864 1.00 0.00 C ATOM 197 O3' DG A 7 -4.300 11.226 -5.657 1.00 0.00 O ATOM 198 C2' DG A 7 -1.936 11.352 -4.898 1.00 0.00 C ATOM 199 C1' DG A 7 -2.129 10.462 -3.679 1.00 0.00 C ATOM 200 N9 DG A 7 -0.980 10.297 -2.767 1.00 0.00 N ATOM 201 C8 DG A 7 0.352 10.189 -3.065 1.00 0.00 C ATOM 202 N7 DG A 7 1.102 9.877 -2.044 1.00 0.00 N ATOM 203 C5 DG A 7 0.201 9.778 -0.982 1.00 0.00 C ATOM 204 C6 DG A 7 0.410 9.500 0.405 1.00 0.00 C ATOM 205 O6 DG A 7 1.472 9.295 0.986 1.00 0.00 O ATOM 206 N1 DG A 7 -0.767 9.472 1.138 1.00 0.00 N ATOM 207 C2 DG A 7 -2.008 9.711 0.607 1.00 0.00 C ATOM 208 N2 DG A 7 -3.053 9.677 1.426 1.00 0.00 N ATOM 209 N3 DG A 7 -2.217 10.002 -0.682 1.00 0.00 N ATOM 210 C4 DG A 7 -1.076 10.013 -1.423 1.00 0.00 C ATOM 0 H5' DG A 7 -2.065 7.439 -6.161 1.00 0.00 H new ATOM 0 H5'' DG A 7 -2.581 8.478 -7.475 1.00 0.00 H new ATOM 0 H4' DG A 7 -3.941 8.891 -5.599 1.00 0.00 H new ATOM 0 H3' DG A 7 -2.722 11.089 -6.883 1.00 0.00 H new ATOM 0 H2' DG A 7 -0.923 11.285 -5.296 1.00 0.00 H new ATOM 0 H2'' DG A 7 -2.121 12.402 -4.670 1.00 0.00 H new ATOM 0 H1' DG A 7 -2.893 10.942 -3.067 1.00 0.00 H new ATOM 0 H8 DG A 7 0.747 10.348 -4.058 1.00 0.00 H new ATOM 0 H1 DG A 7 -0.705 9.260 2.134 1.00 0.00 H new ATOM 0 H21 DG A 7 -3.991 9.850 1.064 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.918 9.478 2.417 1.00 0.00 H new ATOM 222 P DC A 8 -4.800 12.719 -5.992 1.00 0.00 P ATOM 223 OP1 DC A 8 -6.230 12.655 -6.362 1.00 0.00 O ATOM 224 OP2 DC A 8 -3.824 13.331 -6.919 1.00 0.00 O ATOM 225 O5' DC A 8 -4.678 13.445 -4.564 1.00 0.00 O ATOM 226 C5' DC A 8 -5.671 13.308 -3.566 1.00 0.00 C ATOM 227 C4' DC A 8 -5.165 13.910 -2.247 1.00 0.00 C ATOM 228 O4' DC A 8 -4.122 13.084 -1.739 1.00 0.00 O ATOM 229 C3' DC A 8 -4.573 15.322 -2.442 1.00 0.00 C ATOM 230 O3' DC A 8 -4.896 16.186 -1.371 1.00 0.00 O ATOM 231 C2' DC A 8 -3.084 15.004 -2.453 1.00 0.00 C ATOM 232 C1' DC A 8 -3.072 13.943 -1.351 1.00 0.00 C ATOM 233 N1 DC A 8 -1.768 13.295 -1.097 1.00 0.00 N ATOM 234 C2 DC A 8 -1.422 12.937 0.206 1.00 0.00 C ATOM 235 O2 DC A 8 -2.271 12.844 1.088 1.00 0.00 O ATOM 236 N3 DC A 8 -0.112 12.685 0.504 1.00 0.00 N ATOM 237 C4 DC A 8 0.833 12.837 -0.434 1.00 0.00 C ATOM 238 N4 DC A 8 2.092 12.556 -0.130 1.00 0.00 N ATOM 239 C5 DC A 8 0.494 13.234 -1.764 1.00 0.00 C ATOM 240 C6 DC A 8 -0.803 13.421 -2.032 1.00 0.00 C ATOM 0 H5' DC A 8 -5.917 12.255 -3.426 1.00 0.00 H new ATOM 0 H5'' DC A 8 -6.586 13.810 -3.879 1.00 0.00 H new ATOM 0 H4' DC A 8 -6.015 13.972 -1.568 1.00 0.00 H new ATOM 0 H3' DC A 8 -4.942 15.839 -3.327 1.00 0.00 H new ATOM 0 H2' DC A 8 -2.740 14.620 -3.414 1.00 0.00 H new ATOM 0 H2'' DC A 8 -2.465 15.869 -2.215 1.00 0.00 H new ATOM 0 HO3' DC A 8 -4.501 17.068 -1.532 1.00 0.00 H new ATOM 0 H1' DC A 8 -3.229 14.369 -0.360 1.00 0.00 H new ATOM 0 H41 DC A 8 2.823 12.666 -0.833 1.00 0.00 H new ATOM 0 H42 DC A 8 2.330 12.229 0.807 1.00 0.00 H new ATOM 0 H5 DC A 8 1.252 13.377 -2.520 1.00 0.00 H new ATOM 0 H6 DC A 8 -1.090 13.684 -3.039 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 9 4.087 12.355 9.417 1.00 0.00 O ATOM 255 C5' DG B 9 3.478 11.238 10.027 1.00 0.00 C ATOM 256 C4' DG B 9 1.973 11.492 10.166 1.00 0.00 C ATOM 257 O4' DG B 9 1.399 12.011 8.973 1.00 0.00 O ATOM 258 C3' DG B 9 1.217 10.220 10.481 1.00 0.00 C ATOM 259 O3' DG B 9 0.119 10.555 11.314 1.00 0.00 O ATOM 260 C2' DG B 9 0.820 9.717 9.097 1.00 0.00 C ATOM 261 C1' DG B 9 0.801 10.964 8.218 1.00 0.00 C ATOM 262 N9 DG B 9 1.487 10.844 6.905 1.00 0.00 N ATOM 263 C8 DG B 9 2.799 10.537 6.625 1.00 0.00 C ATOM 264 N7 DG B 9 3.137 10.698 5.379 1.00 0.00 N ATOM 265 C5 DG B 9 1.971 11.148 4.774 1.00 0.00 C ATOM 266 C6 DG B 9 1.726 11.541 3.425 1.00 0.00 C ATOM 267 O6 DG B 9 2.528 11.601 2.498 1.00 0.00 O ATOM 268 N1 DG B 9 0.404 11.886 3.196 1.00 0.00 N ATOM 269 C2 DG B 9 -0.567 11.892 4.166 1.00 0.00 C ATOM 270 N2 DG B 9 -1.808 12.209 3.813 1.00 0.00 N ATOM 271 N3 DG B 9 -0.340 11.576 5.446 1.00 0.00 N ATOM 272 C4 DG B 9 0.949 11.214 5.689 1.00 0.00 C ATOM 0 H5' DG B 9 3.920 11.059 11.007 1.00 0.00 H new ATOM 0 H5'' DG B 9 3.653 10.343 9.430 1.00 0.00 H new ATOM 0 H4' DG B 9 1.885 12.214 10.978 1.00 0.00 H new ATOM 0 H3' DG B 9 1.767 9.452 11.024 1.00 0.00 H new ATOM 0 H2' DG B 9 1.533 8.981 8.724 1.00 0.00 H new ATOM 0 H2'' DG B 9 -0.156 9.233 9.117 1.00 0.00 H new ATOM 0 HO5' DG B 9 3.420 12.845 8.892 1.00 0.00 H new ATOM 0 H1' DG B 9 -0.241 11.153 7.958 1.00 0.00 H new ATOM 0 H8 DG B 9 3.491 10.191 7.378 1.00 0.00 H new ATOM 0 H1 DG B 9 0.136 12.152 2.248 1.00 0.00 H new ATOM 0 H21 DG B 9 -2.550 12.222 4.513 1.00 0.00 H new ATOM 0 H22 DG B 9 -2.019 12.440 2.842 1.00 0.00 H new ATOM 285 P DC B 10 -0.865 9.449 11.955 1.00 0.00 P ATOM 286 OP1 DC B 10 -1.560 10.063 13.106 1.00 0.00 O ATOM 287 OP2 DC B 10 -0.098 8.198 12.136 1.00 0.00 O ATOM 288 O5' DC B 10 -1.937 9.237 10.775 1.00 0.00 O ATOM 289 C5' DC B 10 -2.794 10.289 10.383 1.00 0.00 C ATOM 290 C4' DC B 10 -3.434 9.974 9.030 1.00 0.00 C ATOM 291 O4' DC B 10 -2.464 9.970 7.994 1.00 0.00 O ATOM 292 C3' DC B 10 -4.121 8.600 8.998 1.00 0.00 C ATOM 293 O3' DC B 10 -5.471 8.823 8.641 1.00 0.00 O ATOM 294 C2' DC B 10 -3.302 7.853 7.933 1.00 0.00 C ATOM 295 C1' DC B 10 -2.845 8.994 7.045 1.00 0.00 C ATOM 296 N1 DC B 10 -1.751 8.655 6.095 1.00 0.00 N ATOM 297 C2 DC B 10 -1.881 8.937 4.734 1.00 0.00 C ATOM 298 O2 DC B 10 -2.941 9.346 4.263 1.00 0.00 O ATOM 299 N3 DC B 10 -0.810 8.756 3.903 1.00 0.00 N ATOM 300 C4 DC B 10 0.325 8.233 4.387 1.00 0.00 C ATOM 301 N4 DC B 10 1.399 8.199 3.605 1.00 0.00 N ATOM 302 C5 DC B 10 0.459 7.874 5.764 1.00 0.00 C ATOM 303 C6 DC B 10 -0.595 8.117 6.567 1.00 0.00 C ATOM 0 H5' DC B 10 -2.232 11.221 10.319 1.00 0.00 H new ATOM 0 H5'' DC B 10 -3.569 10.435 11.135 1.00 0.00 H new ATOM 0 H4' DC B 10 -4.176 10.758 8.878 1.00 0.00 H new ATOM 0 H3' DC B 10 -4.146 8.031 9.927 1.00 0.00 H new ATOM 0 H2' DC B 10 -2.463 7.310 8.368 1.00 0.00 H new ATOM 0 H2'' DC B 10 -3.904 7.126 7.388 1.00 0.00 H new ATOM 0 H1' DC B 10 -3.627 9.316 6.357 1.00 0.00 H new ATOM 0 H41 DC B 10 2.272 7.805 3.955 1.00 0.00 H new ATOM 0 H42 DC B 10 1.350 8.567 2.655 1.00 0.00 H new ATOM 0 H5 DC B 10 1.366 7.427 6.144 1.00 0.00 H new ATOM 0 H6 DC B 10 -0.519 7.877 7.617 1.00 0.00 H new ATOM 315 P DG B 11 -6.517 7.622 8.449 1.00 0.00 P ATOM 316 OP1 DG B 11 -7.864 8.116 8.809 1.00 0.00 O ATOM 317 OP2 DG B 11 -5.975 6.416 9.111 1.00 0.00 O ATOM 318 O5' DG B 11 -6.463 7.404 6.854 1.00 0.00 O ATOM 319 C5' DG B 11 -6.937 8.390 5.956 1.00 0.00 C ATOM 320 C4' DG B 11 -7.552 7.748 4.702 1.00 0.00 C ATOM 321 O4' DG B 11 -6.546 7.538 3.736 1.00 0.00 O ATOM 322 C3' DG B 11 -8.205 6.389 4.973 1.00 0.00 C ATOM 323 O3' DG B 11 -9.318 6.240 4.111 1.00 0.00 O ATOM 324 C2' DG B 11 -7.051 5.432 4.694 1.00 0.00 C ATOM 325 C1' DG B 11 -6.280 6.159 3.593 1.00 0.00 C ATOM 326 N9 DG B 11 -4.818 5.986 3.667 1.00 0.00 N ATOM 327 C8 DG B 11 -4.039 5.731 4.759 1.00 0.00 C ATOM 328 N7 DG B 11 -2.757 5.788 4.535 1.00 0.00 N ATOM 329 C5 DG B 11 -2.679 6.078 3.173 1.00 0.00 C ATOM 330 C6 DG B 11 -1.552 6.166 2.302 1.00 0.00 C ATOM 331 O6 DG B 11 -0.364 6.030 2.582 1.00 0.00 O ATOM 332 N1 DG B 11 -1.911 6.438 0.992 1.00 0.00 N ATOM 333 C2 DG B 11 -3.209 6.569 0.553 1.00 0.00 C ATOM 334 N2 DG B 11 -3.443 6.815 -0.729 1.00 0.00 N ATOM 335 N3 DG B 11 -4.273 6.432 1.347 1.00 0.00 N ATOM 336 C4 DG B 11 -3.938 6.199 2.640 1.00 0.00 C ATOM 0 H5' DG B 11 -6.117 9.047 5.667 1.00 0.00 H new ATOM 0 H5'' DG B 11 -7.682 9.011 6.453 1.00 0.00 H new ATOM 0 H4' DG B 11 -8.321 8.440 4.358 1.00 0.00 H new ATOM 0 H3' DG B 11 -8.614 6.230 5.971 1.00 0.00 H new ATOM 0 H2' DG B 11 -6.437 5.268 5.579 1.00 0.00 H new ATOM 0 H2'' DG B 11 -7.404 4.455 4.365 1.00 0.00 H new ATOM 0 H1' DG B 11 -6.606 5.740 2.641 1.00 0.00 H new ATOM 0 H8 DG B 11 -4.452 5.501 5.730 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.163 6.549 0.307 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.402 6.913 -1.063 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.664 6.906 -1.381 1.00 0.00 H new ATOM 348 P DT B 12 -10.276 4.948 4.174 1.00 0.00 P ATOM 349 OP1 DT B 12 -11.609 5.335 3.663 1.00 0.00 O ATOM 350 OP2 DT B 12 -10.148 4.345 5.518 1.00 0.00 O ATOM 351 O5' DT B 12 -9.579 3.976 3.101 1.00 0.00 O ATOM 352 C5' DT B 12 -9.932 4.030 1.736 1.00 0.00 C ATOM 353 C4' DT B 12 -8.971 3.183 0.900 1.00 0.00 C ATOM 354 O4' DT B 12 -7.744 3.842 0.634 1.00 0.00 O ATOM 355 C3' DT B 12 -8.658 1.806 1.482 1.00 0.00 C ATOM 356 O3' DT B 12 -9.630 0.831 1.146 1.00 0.00 O ATOM 357 C2' DT B 12 -7.366 1.584 0.710 1.00 0.00 C ATOM 358 C1' DT B 12 -6.847 2.884 0.084 1.00 0.00 C ATOM 359 N1 DT B 12 -5.510 3.114 0.638 1.00 0.00 N ATOM 360 C2 DT B 12 -4.344 3.360 -0.089 1.00 0.00 C ATOM 361 O2 DT B 12 -4.342 3.569 -1.298 1.00 0.00 O ATOM 362 N3 DT B 12 -3.163 3.352 0.658 1.00 0.00 N ATOM 363 C4 DT B 12 -3.083 3.140 2.027 1.00 0.00 C ATOM 364 O4 DT B 12 -2.012 3.196 2.612 1.00 0.00 O ATOM 365 C5 DT B 12 -4.353 2.855 2.658 1.00 0.00 C ATOM 366 C7 DT B 12 -4.547 2.503 4.091 1.00 0.00 C ATOM 367 C6 DT B 12 -5.475 2.858 1.952 1.00 0.00 C ATOM 0 H5' DT B 12 -9.911 5.063 1.389 1.00 0.00 H new ATOM 0 H5'' DT B 12 -10.952 3.670 1.604 1.00 0.00 H new ATOM 0 H4' DT B 12 -9.525 3.036 -0.027 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.618 1.741 2.569 1.00 0.00 H new ATOM 0 H2' DT B 12 -6.609 1.175 1.379 1.00 0.00 H new ATOM 0 H2'' DT B 12 -7.533 0.845 -0.073 1.00 0.00 H new ATOM 0 H1' DT B 12 -6.795 2.900 -1.005 1.00 0.00 H new ATOM 0 H3 DT B 12 -2.290 3.515 0.157 1.00 0.00 H new ATOM 0 H71 DT B 12 -5.526 2.850 4.421 1.00 0.00 H new ATOM 0 H72 DT B 12 -4.485 1.421 4.212 1.00 0.00 H new ATOM 0 H73 DT B 12 -3.772 2.980 4.691 1.00 0.00 H new ATOM 0 H6 DT B 12 -6.404 2.644 2.460 1.00 0.00 H new ATOM 380 P DA B 13 -9.390 -0.739 1.462 1.00 0.00 P ATOM 381 OP1 DA B 13 -10.511 -1.501 0.873 1.00 0.00 O ATOM 382 OP2 DA B 13 -9.089 -0.866 2.904 1.00 0.00 O ATOM 383 O5' DA B 13 -8.049 -1.084 0.625 1.00 0.00 O ATOM 384 C5' DA B 13 -8.023 -0.993 -0.788 1.00 0.00 C ATOM 385 C4' DA B 13 -6.606 -0.750 -1.374 1.00 0.00 C ATOM 386 O4' DA B 13 -5.512 -0.972 -0.522 1.00 0.00 O ATOM 387 C3' DA B 13 -6.509 -1.758 -2.511 1.00 0.00 C ATOM 388 O3' DA B 13 -5.731 -1.227 -3.573 1.00 0.00 O ATOM 389 C2' DA B 13 -5.861 -2.887 -1.678 1.00 0.00 C ATOM 390 C1' DA B 13 -4.777 -2.086 -0.980 1.00 0.00 C ATOM 391 N9 DA B 13 -4.238 -2.665 0.250 1.00 0.00 N ATOM 392 C8 DA B 13 -4.857 -2.666 1.466 1.00 0.00 C ATOM 393 N7 DA B 13 -4.074 -2.949 2.472 1.00 0.00 N ATOM 394 C5 DA B 13 -2.827 -3.097 1.864 1.00 0.00 C ATOM 395 C6 DA B 13 -1.526 -3.304 2.356 1.00 0.00 C ATOM 396 N6 DA B 13 -1.245 -3.427 3.652 1.00 0.00 N ATOM 397 N1 DA B 13 -0.504 -3.292 1.489 1.00 0.00 N ATOM 398 C2 DA B 13 -0.737 -3.086 0.200 1.00 0.00 C ATOM 399 N3 DA B 13 -1.903 -2.880 -0.389 1.00 0.00 N ATOM 400 C4 DA B 13 -2.915 -2.894 0.513 1.00 0.00 C ATOM 0 H5' DA B 13 -8.680 -0.182 -1.103 1.00 0.00 H new ATOM 0 H5'' DA B 13 -8.428 -1.913 -1.210 1.00 0.00 H new ATOM 0 H4' DA B 13 -6.530 0.307 -1.631 1.00 0.00 H new ATOM 0 H3' DA B 13 -7.409 -2.062 -3.046 1.00 0.00 H new ATOM 0 H2' DA B 13 -6.560 -3.346 -0.979 1.00 0.00 H new ATOM 0 H2'' DA B 13 -5.458 -3.688 -2.298 1.00 0.00 H new ATOM 0 H1' DA B 13 -3.938 -1.956 -1.663 1.00 0.00 H new ATOM 0 H8 DA B 13 -5.908 -2.450 1.587 1.00 0.00 H new ATOM 0 H61 DA B 13 -0.282 -3.576 3.953 1.00 0.00 H new ATOM 0 H62 DA B 13 -1.993 -3.372 4.343 1.00 0.00 H new ATOM 0 H2 DA B 13 0.129 -3.087 -0.446 1.00 0.00 H new ATOM 412 P DC B 14 -5.850 -1.787 -5.091 1.00 0.00 P ATOM 413 OP1 DC B 14 -6.066 -0.631 -5.986 1.00 0.00 O ATOM 414 OP2 DC B 14 -6.821 -2.904 -5.091 1.00 0.00 O ATOM 415 O5' DC B 14 -4.394 -2.406 -5.384 1.00 0.00 O ATOM 416 C5' DC B 14 -3.860 -3.355 -4.495 1.00 0.00 C ATOM 417 C4' DC B 14 -2.412 -3.717 -4.799 1.00 0.00 C ATOM 418 O4' DC B 14 -1.756 -3.820 -3.544 1.00 0.00 O ATOM 419 C3' DC B 14 -2.312 -5.068 -5.508 1.00 0.00 C ATOM 420 O3' DC B 14 -1.218 -5.066 -6.412 1.00 0.00 O ATOM 421 C2' DC B 14 -2.102 -6.002 -4.333 1.00 0.00 C ATOM 422 C1' DC B 14 -1.395 -5.160 -3.287 1.00 0.00 C ATOM 423 N1 DC B 14 -1.775 -5.637 -1.945 1.00 0.00 N ATOM 424 C2 DC B 14 -0.795 -6.101 -1.085 1.00 0.00 C ATOM 425 O2 DC B 14 0.353 -6.303 -1.464 1.00 0.00 O ATOM 426 N3 DC B 14 -1.112 -6.337 0.211 1.00 0.00 N ATOM 427 C4 DC B 14 -2.371 -6.195 0.632 1.00 0.00 C ATOM 428 N4 DC B 14 -2.566 -6.285 1.941 1.00 0.00 N ATOM 429 C5 DC B 14 -3.432 -5.817 -0.267 1.00 0.00 C ATOM 430 C6 DC B 14 -3.071 -5.568 -1.543 1.00 0.00 C ATOM 0 H5' DC B 14 -4.468 -4.259 -4.531 1.00 0.00 H new ATOM 0 H5'' DC B 14 -3.925 -2.967 -3.478 1.00 0.00 H new ATOM 0 H4' DC B 14 -1.968 -2.963 -5.449 1.00 0.00 H new ATOM 0 H3' DC B 14 -3.171 -5.342 -6.121 1.00 0.00 H new ATOM 0 H2' DC B 14 -3.051 -6.384 -3.957 1.00 0.00 H new ATOM 0 H2'' DC B 14 -1.501 -6.866 -4.617 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.309 -5.239 -3.330 1.00 0.00 H new ATOM 0 H41 DC B 14 -3.506 -6.185 2.325 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.776 -6.454 2.564 1.00 0.00 H new ATOM 0 H5 DC B 14 -4.458 -5.738 0.062 1.00 0.00 H new ATOM 0 H6 DC B 14 -3.832 -5.307 -2.264 1.00 0.00 H new ATOM 442 P DG B 15 -0.808 -6.368 -7.285 1.00 0.00 P ATOM 443 OP1 DG B 15 -0.244 -5.894 -8.566 1.00 0.00 O ATOM 444 OP2 DG B 15 -1.961 -7.294 -7.293 1.00 0.00 O ATOM 445 O5' DG B 15 0.380 -7.058 -6.426 1.00 0.00 O ATOM 446 C5' DG B 15 1.644 -6.431 -6.328 1.00 0.00 C ATOM 447 C4' DG B 15 2.707 -7.273 -5.610 1.00 0.00 C ATOM 448 O4' DG B 15 2.316 -7.545 -4.278 1.00 0.00 O ATOM 449 C3' DG B 15 2.980 -8.620 -6.287 1.00 0.00 C ATOM 450 O3' DG B 15 4.384 -8.824 -6.229 1.00 0.00 O ATOM 451 C2' DG B 15 2.150 -9.571 -5.441 1.00 0.00 C ATOM 452 C1' DG B 15 2.290 -8.946 -4.061 1.00 0.00 C ATOM 453 N9 DG B 15 1.204 -9.222 -3.100 1.00 0.00 N ATOM 454 C8 DG B 15 -0.151 -9.228 -3.298 1.00 0.00 C ATOM 455 N7 DG B 15 -0.851 -9.297 -2.198 1.00 0.00 N ATOM 456 C5 DG B 15 0.113 -9.328 -1.189 1.00 0.00 C ATOM 457 C6 DG B 15 -0.010 -9.376 0.236 1.00 0.00 C ATOM 458 O6 DG B 15 -1.031 -9.472 0.910 1.00 0.00 O ATOM 459 N1 DG B 15 1.216 -9.300 0.886 1.00 0.00 N ATOM 460 C2 DG B 15 2.426 -9.283 0.243 1.00 0.00 C ATOM 461 N2 DG B 15 3.532 -9.260 0.976 1.00 0.00 N ATOM 462 N3 DG B 15 2.557 -9.286 -1.085 1.00 0.00 N ATOM 463 C4 DG B 15 1.368 -9.280 -1.739 1.00 0.00 C ATOM 0 H5' DG B 15 1.528 -5.484 -5.800 1.00 0.00 H new ATOM 0 H5'' DG B 15 1.999 -6.195 -7.331 1.00 0.00 H new ATOM 0 H4' DG B 15 3.616 -6.672 -5.647 1.00 0.00 H new ATOM 0 H3' DG B 15 2.713 -8.731 -7.338 1.00 0.00 H new ATOM 0 H2' DG B 15 1.111 -9.613 -5.769 1.00 0.00 H new ATOM 0 H2'' DG B 15 2.535 -10.590 -5.471 1.00 0.00 H new ATOM 0 H1' DG B 15 3.184 -9.377 -3.609 1.00 0.00 H new ATOM 0 H8 DG B 15 -0.601 -9.180 -4.278 1.00 0.00 H new ATOM 0 H1 DG B 15 1.215 -9.254 1.905 1.00 0.00 H new ATOM 0 H21 DG B 15 4.445 -9.247 0.521 1.00 0.00 H new ATOM 0 H22 DG B 15 3.469 -9.255 1.994 1.00 0.00 H new ATOM 475 P DC B 16 5.116 -10.122 -6.837 1.00 0.00 P ATOM 476 OP1 DC B 16 6.479 -9.730 -7.255 1.00 0.00 O ATOM 477 OP2 DC B 16 4.197 -10.749 -7.812 1.00 0.00 O ATOM 478 O5' DC B 16 5.237 -11.083 -5.553 1.00 0.00 O ATOM 479 C5' DC B 16 6.266 -10.928 -4.592 1.00 0.00 C ATOM 480 C4' DC B 16 6.020 -11.868 -3.401 1.00 0.00 C ATOM 481 O4' DC B 16 4.871 -11.418 -2.690 1.00 0.00 O ATOM 482 C3' DC B 16 5.740 -13.318 -3.850 1.00 0.00 C ATOM 483 O3' DC B 16 6.335 -14.268 -2.990 1.00 0.00 O ATOM 484 C2' DC B 16 4.223 -13.356 -3.739 1.00 0.00 C ATOM 485 C1' DC B 16 4.072 -12.555 -2.444 1.00 0.00 C ATOM 486 N1 DC B 16 2.684 -12.295 -2.013 1.00 0.00 N ATOM 487 C2 DC B 16 2.344 -12.336 -0.659 1.00 0.00 C ATOM 488 O2 DC B 16 3.196 -12.289 0.227 1.00 0.00 O ATOM 489 N3 DC B 16 1.027 -12.430 -0.310 1.00 0.00 N ATOM 490 C4 DC B 16 0.083 -12.542 -1.255 1.00 0.00 C ATOM 491 N4 DC B 16 -1.189 -12.610 -0.890 1.00 0.00 N ATOM 492 C5 DC B 16 0.423 -12.527 -2.642 1.00 0.00 C ATOM 493 C6 DC B 16 1.715 -12.379 -2.947 1.00 0.00 C ATOM 0 H5' DC B 16 6.301 -9.894 -4.248 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.233 -11.147 -5.045 1.00 0.00 H new ATOM 0 H4' DC B 16 6.920 -11.855 -2.786 1.00 0.00 H new ATOM 0 H3' DC B 16 6.139 -13.563 -4.834 1.00 0.00 H new ATOM 0 H2' DC B 16 3.725 -12.887 -4.587 1.00 0.00 H new ATOM 0 H2'' DC B 16 3.830 -14.369 -3.658 1.00 0.00 H new ATOM 0 HO3' DC B 16 6.131 -15.172 -3.310 1.00 0.00 H new ATOM 0 H1' DC B 16 4.404 -13.108 -1.565 1.00 0.00 H new ATOM 0 H41 DC B 16 -1.919 -12.695 -1.598 1.00 0.00 H new ATOM 0 H42 DC B 16 -1.438 -12.577 0.099 1.00 0.00 H new ATOM 0 H5 DC B 16 -0.330 -12.631 -3.409 1.00 0.00 H new ATOM 0 H6 DC B 16 1.996 -12.324 -3.988 1.00 0.00 H new TER 506 DC B 16 HETATM 507 O1 PSO A 9 -0.941 0.195 -0.661 1.00 0.00 O HETATM 508 C2 PSO A 9 -2.186 0.298 -0.367 1.00 0.00 C HETATM 509 C3 PSO A 9 -2.677 0.263 0.949 1.00 0.00 C HETATM 510 C4 PSO A 9 -1.761 0.127 1.984 1.00 0.00 C HETATM 511 C5 PSO A 9 0.596 0.184 2.633 1.00 0.00 C HETATM 512 C6 PSO A 9 1.941 0.246 2.244 1.00 0.00 C HETATM 513 C7 PSO A 9 2.295 0.172 0.943 1.00 0.00 C HETATM 514 C8 PSO A 9 1.299 0.060 -0.056 1.00 0.00 C HETATM 515 C9 PSO A 9 -0.073 0.145 0.295 1.00 0.00 C HETATM 516 C10 PSO A 9 -0.406 0.155 1.644 1.00 0.00 C HETATM 517 C4' PSO A 9 3.134 0.102 3.144 1.00 0.00 C HETATM 518 C5' PSO A 9 4.189 0.019 2.053 1.00 0.00 C HETATM 519 O6' PSO A 9 3.545 0.170 0.758 1.00 0.00 O HETATM 520 O11 PSO A 9 -2.992 0.435 -1.284 1.00 0.00 O HETATM 521 C12 PSO A 9 -2.214 -0.044 3.415 1.00 0.00 C HETATM 522 C13 PSO A 9 3.223 1.193 4.230 1.00 0.00 C HETATM 523 O14 PSO A 9 2.356 2.288 3.997 1.00 0.00 O HETATM 524 C15 PSO A 9 5.396 0.866 2.433 1.00 0.00 C HETATM 525 C16 PSO A 9 1.682 -0.157 -1.509 1.00 0.00 C HETATM 0 H163 PSO A 9 2.297 0.675 -1.851 1.00 0.00 H new HETATM 0 H162 PSO A 9 2.245 -1.086 -1.602 1.00 0.00 H new HETATM 0 H161 PSO A 9 0.780 -0.217 -2.118 1.00 0.00 H new HETATM 0 H153 PSO A 9 5.088 1.904 2.556 1.00 0.00 H new HETATM 0 H152 PSO A 9 5.818 0.499 3.369 1.00 0.00 H new HETATM 0 H151 PSO A 9 6.148 0.802 1.646 1.00 0.00 H new HETATM 0 H132 PSO A 9 2.987 0.752 5.198 1.00 0.00 H new HETATM 0 H131 PSO A 9 4.249 1.557 4.287 1.00 0.00 H new HETATM 0 H123 PSO A 9 -2.804 0.821 3.716 1.00 0.00 H new HETATM 0 H122 PSO A 9 -2.822 -0.945 3.499 1.00 0.00 H new HETATM 0 H121 PSO A 9 -1.343 -0.132 4.064 1.00 0.00 H new HETATM 0 H5 PSO A 9 0.329 0.159 3.689 1.00 0.00 H new HETATM 0 H3 PSO A 9 -3.745 0.340 1.152 1.00 0.00 H new HETATM 0 H14 PSO A 9 2.885 3.086 3.789 1.00 0.00 H new