USER MOD reduce.3.24.130724 H: found=0, std=0, add=195, rem=0, adj=5 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 NoAdj-H: B 1 PSO H3 : B 1 PSO C3 : B 12 DT C6 :(H bumps) USER MOD Single : A 1 DG O5' : rot 31:sc= 0.0691 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.42 (180deg=-1.42) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 PSO O14 : rot 180:sc= -0.662 USER MOD Single : B 9 DG O5' : rot 180:sc= -0.0469 USER MOD Single : B 12 DT C7 :methyl 150:sc= -1.72 (180deg=-1.72) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -2.123 -10.254 8.929 1.00 0.00 O ATOM 2 C5' DG A 1 -1.055 -10.691 9.738 1.00 0.00 C ATOM 3 C4' DG A 1 0.278 -10.458 9.020 1.00 0.00 C ATOM 4 O4' DG A 1 0.215 -11.035 7.722 1.00 0.00 O ATOM 5 C3' DG A 1 0.607 -8.968 8.858 1.00 0.00 C ATOM 6 O3' DG A 1 1.983 -8.800 9.151 1.00 0.00 O ATOM 7 C2' DG A 1 0.260 -8.727 7.391 1.00 0.00 C ATOM 8 C1' DG A 1 0.592 -10.072 6.750 1.00 0.00 C ATOM 9 N9 DG A 1 -0.158 -10.323 5.495 1.00 0.00 N ATOM 10 C8 DG A 1 -1.511 -10.235 5.285 1.00 0.00 C ATOM 11 N7 DG A 1 -1.898 -10.594 4.095 1.00 0.00 N ATOM 12 C5 DG A 1 -0.716 -10.963 3.461 1.00 0.00 C ATOM 13 C6 DG A 1 -0.492 -11.435 2.132 1.00 0.00 C ATOM 14 O6 DG A 1 -1.321 -11.644 1.250 1.00 0.00 O ATOM 15 N1 DG A 1 0.847 -11.668 1.862 1.00 0.00 N ATOM 16 C2 DG A 1 1.859 -11.471 2.770 1.00 0.00 C ATOM 17 N2 DG A 1 3.106 -11.727 2.388 1.00 0.00 N ATOM 18 N3 DG A 1 1.666 -11.026 4.017 1.00 0.00 N ATOM 19 C4 DG A 1 0.356 -10.793 4.305 1.00 0.00 C ATOM 0 H5' DG A 1 -1.173 -11.750 9.969 1.00 0.00 H new ATOM 0 H5'' DG A 1 -1.064 -10.155 10.687 1.00 0.00 H new ATOM 0 H4' DG A 1 1.056 -10.917 9.631 1.00 0.00 H new ATOM 0 H3' DG A 1 0.076 -8.272 9.508 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.789 -8.463 7.260 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.849 -7.916 6.962 1.00 0.00 H new ATOM 0 HO5' DG A 1 -1.886 -10.369 7.985 1.00 0.00 H new ATOM 0 H1' DG A 1 1.646 -10.108 6.474 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.199 -9.896 6.045 1.00 0.00 H new ATOM 0 H1 DG A 1 1.096 -12.006 0.933 1.00 0.00 H new ATOM 0 H21 DG A 1 3.878 -11.590 3.041 1.00 0.00 H new ATOM 0 H22 DG A 1 3.291 -12.061 1.442 1.00 0.00 H new ATOM 32 P DC A 2 2.740 -7.377 9.075 1.00 0.00 P ATOM 33 OP1 DC A 2 3.627 -7.266 10.253 1.00 0.00 O ATOM 34 OP2 DC A 2 1.744 -6.320 8.800 1.00 0.00 O ATOM 35 O5' DC A 2 3.658 -7.581 7.768 1.00 0.00 O ATOM 36 C5' DC A 2 4.650 -8.586 7.753 1.00 0.00 C ATOM 37 C4' DC A 2 5.342 -8.667 6.392 1.00 0.00 C ATOM 38 O4' DC A 2 4.412 -8.977 5.379 1.00 0.00 O ATOM 39 C3' DC A 2 6.034 -7.364 5.983 1.00 0.00 C ATOM 40 O3' DC A 2 7.328 -7.773 5.577 1.00 0.00 O ATOM 41 C2' DC A 2 5.147 -6.804 4.862 1.00 0.00 C ATOM 42 C1' DC A 2 4.585 -8.093 4.287 1.00 0.00 C ATOM 43 N1 DC A 2 3.253 -7.913 3.667 1.00 0.00 N ATOM 44 C2 DC A 2 3.058 -8.360 2.370 1.00 0.00 C ATOM 45 O2 DC A 2 4.008 -8.689 1.668 1.00 0.00 O ATOM 46 N3 DC A 2 1.797 -8.436 1.869 1.00 0.00 N ATOM 47 C4 DC A 2 0.760 -8.025 2.606 1.00 0.00 C ATOM 48 N4 DC A 2 -0.457 -8.229 2.120 1.00 0.00 N ATOM 49 C5 DC A 2 0.922 -7.559 3.949 1.00 0.00 C ATOM 50 C6 DC A 2 2.186 -7.528 4.433 1.00 0.00 C ATOM 0 H5' DC A 2 4.198 -9.549 7.991 1.00 0.00 H new ATOM 0 H5'' DC A 2 5.389 -8.381 8.527 1.00 0.00 H new ATOM 0 H4' DC A 2 6.095 -9.447 6.501 1.00 0.00 H new ATOM 0 H3' DC A 2 6.151 -6.585 6.736 1.00 0.00 H new ATOM 0 H2' DC A 2 4.367 -6.144 5.241 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.717 -6.235 4.127 1.00 0.00 H new ATOM 0 H1' DC A 2 5.269 -8.456 3.520 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.275 -7.930 2.651 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.575 -8.685 1.215 1.00 0.00 H new ATOM 0 H5 DC A 2 0.078 -7.248 4.547 1.00 0.00 H new ATOM 0 H6 DC A 2 2.356 -7.192 5.445 1.00 0.00 H new ATOM 62 P DG A 3 8.555 -6.758 5.429 1.00 0.00 P ATOM 63 OP1 DG A 3 9.783 -7.545 5.189 1.00 0.00 O ATOM 64 OP2 DG A 3 8.496 -5.793 6.548 1.00 0.00 O ATOM 65 O5' DG A 3 8.141 -6.018 4.077 1.00 0.00 O ATOM 66 C5' DG A 3 8.257 -6.639 2.815 1.00 0.00 C ATOM 67 C4' DG A 3 7.704 -5.682 1.756 1.00 0.00 C ATOM 68 O4' DG A 3 6.383 -5.927 1.357 1.00 0.00 O ATOM 69 C3' DG A 3 7.787 -4.211 2.150 1.00 0.00 C ATOM 70 O3' DG A 3 8.612 -3.622 1.186 1.00 0.00 O ATOM 71 C2' DG A 3 6.314 -3.872 2.228 1.00 0.00 C ATOM 72 C1' DG A 3 5.794 -4.676 1.057 1.00 0.00 C ATOM 73 N9 DG A 3 4.364 -4.922 1.032 1.00 0.00 N ATOM 74 C8 DG A 3 3.540 -4.750 2.075 1.00 0.00 C ATOM 75 N7 DG A 3 2.328 -5.186 1.906 1.00 0.00 N ATOM 76 C5 DG A 3 2.356 -5.632 0.584 1.00 0.00 C ATOM 77 C6 DG A 3 1.309 -6.118 -0.244 1.00 0.00 C ATOM 78 O6 DG A 3 0.165 -6.414 0.077 1.00 0.00 O ATOM 79 N1 DG A 3 1.693 -6.250 -1.565 1.00 0.00 N ATOM 80 C2 DG A 3 2.975 -6.091 -2.024 1.00 0.00 C ATOM 81 N2 DG A 3 3.197 -6.282 -3.319 1.00 0.00 N ATOM 82 N3 DG A 3 3.994 -5.722 -1.243 1.00 0.00 N ATOM 83 C4 DG A 3 3.604 -5.470 0.035 1.00 0.00 C ATOM 0 H5' DG A 3 7.706 -7.579 2.802 1.00 0.00 H new ATOM 0 H5'' DG A 3 9.299 -6.878 2.604 1.00 0.00 H new ATOM 0 H4' DG A 3 8.368 -5.889 0.917 1.00 0.00 H new ATOM 0 H3' DG A 3 8.243 -3.878 3.083 1.00 0.00 H new ATOM 0 H2' DG A 3 5.866 -4.177 3.174 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.126 -2.804 2.116 1.00 0.00 H new ATOM 0 H1' DG A 3 6.013 -4.169 0.117 1.00 0.00 H new ATOM 0 H8 DG A 3 3.862 -4.281 2.993 1.00 0.00 H new ATOM 0 H1 DG A 3 0.971 -6.482 -2.247 1.00 0.00 H new ATOM 0 H21 DG A 3 4.138 -6.173 -3.697 1.00 0.00 H new ATOM 0 H22 DG A 3 2.426 -6.538 -3.936 1.00 0.00 H new ATOM 95 P DT A 4 10.080 -3.110 1.596 1.00 0.00 P ATOM 96 OP1 DT A 4 10.842 -2.851 0.356 1.00 0.00 O ATOM 97 OP2 DT A 4 10.617 -4.036 2.618 1.00 0.00 O ATOM 98 O5' DT A 4 9.700 -1.695 2.288 1.00 0.00 O ATOM 99 C5' DT A 4 8.468 -1.018 2.046 1.00 0.00 C ATOM 100 C4' DT A 4 8.008 -1.052 0.568 1.00 0.00 C ATOM 101 O4' DT A 4 6.870 -1.880 0.244 1.00 0.00 O ATOM 102 C3' DT A 4 7.607 0.317 0.049 1.00 0.00 C ATOM 103 O3' DT A 4 7.890 0.221 -1.332 1.00 0.00 O ATOM 104 C2' DT A 4 6.189 0.139 0.443 1.00 0.00 C ATOM 105 C1' DT A 4 5.684 -1.136 -0.048 1.00 0.00 C ATOM 106 N1 DT A 4 4.446 -1.522 0.730 1.00 0.00 N ATOM 107 C2 DT A 4 3.423 -2.174 0.050 1.00 0.00 C ATOM 108 O2 DT A 4 3.551 -2.529 -1.115 1.00 0.00 O ATOM 109 N3 DT A 4 2.243 -2.423 0.718 1.00 0.00 N ATOM 110 C4 DT A 4 1.917 -2.078 2.009 1.00 0.00 C ATOM 111 O4 DT A 4 0.892 -2.524 2.520 1.00 0.00 O ATOM 112 C5 DT A 4 2.846 -1.138 2.786 1.00 0.00 C ATOM 113 C7 DT A 4 3.115 -1.596 4.225 1.00 0.00 C ATOM 114 C6 DT A 4 4.141 -0.801 2.028 1.00 0.00 C ATOM 0 H5' DT A 4 8.569 0.021 2.360 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.692 -1.465 2.667 1.00 0.00 H new ATOM 0 H4' DT A 4 8.904 -1.468 0.107 1.00 0.00 H new ATOM 0 H3' DT A 4 8.036 1.266 0.371 1.00 0.00 H new ATOM 0 H2' DT A 4 6.098 0.180 1.528 1.00 0.00 H new ATOM 0 H2'' DT A 4 5.588 0.955 0.042 1.00 0.00 H new ATOM 0 H1' DT A 4 5.336 -1.233 -1.076 1.00 0.00 H new ATOM 0 H3 DT A 4 1.526 -2.923 0.192 1.00 0.00 H new ATOM 0 H71 DT A 4 4.106 -1.263 4.534 1.00 0.00 H new ATOM 0 H72 DT A 4 2.365 -1.167 4.889 1.00 0.00 H new ATOM 0 H73 DT A 4 3.066 -2.684 4.276 1.00 0.00 H new ATOM 0 H6 DT A 4 4.824 -0.060 2.416 1.00 0.00 H new ATOM 127 P DA A 5 9.408 0.156 -1.892 1.00 0.00 P ATOM 128 OP1 DA A 5 9.563 -1.081 -2.684 1.00 0.00 O ATOM 129 OP2 DA A 5 10.315 0.437 -0.756 1.00 0.00 O ATOM 130 O5' DA A 5 9.416 1.404 -2.851 1.00 0.00 O ATOM 131 C5' DA A 5 8.600 2.495 -2.537 1.00 0.00 C ATOM 132 C4' DA A 5 7.218 2.320 -3.182 1.00 0.00 C ATOM 133 O4' DA A 5 6.198 1.876 -2.290 1.00 0.00 O ATOM 134 C3' DA A 5 6.850 3.698 -3.682 1.00 0.00 C ATOM 135 O3' DA A 5 6.920 3.924 -5.088 1.00 0.00 O ATOM 136 C2' DA A 5 5.486 3.822 -3.107 1.00 0.00 C ATOM 137 C1' DA A 5 4.979 2.548 -2.538 1.00 0.00 C ATOM 138 N9 DA A 5 4.302 2.880 -1.251 1.00 0.00 N ATOM 139 C8 DA A 5 4.948 3.500 -0.215 1.00 0.00 C ATOM 140 N7 DA A 5 4.196 4.110 0.646 1.00 0.00 N ATOM 141 C5 DA A 5 2.928 3.781 0.195 1.00 0.00 C ATOM 142 C6 DA A 5 1.643 4.022 0.704 1.00 0.00 C ATOM 143 N6 DA A 5 1.426 4.491 1.926 1.00 0.00 N ATOM 144 N1 DA A 5 0.596 3.788 -0.087 1.00 0.00 N ATOM 145 C2 DA A 5 0.820 3.278 -1.287 1.00 0.00 C ATOM 146 N3 DA A 5 1.957 2.939 -1.867 1.00 0.00 N ATOM 147 C4 DA A 5 2.989 3.196 -1.043 1.00 0.00 C ATOM 0 H5' DA A 5 9.061 3.418 -2.890 1.00 0.00 H new ATOM 0 H5'' DA A 5 8.497 2.583 -1.455 1.00 0.00 H new ATOM 0 H4' DA A 5 7.281 1.551 -3.952 1.00 0.00 H new ATOM 0 H3' DA A 5 7.564 4.462 -3.376 1.00 0.00 H new ATOM 0 H2' DA A 5 5.494 4.584 -2.328 1.00 0.00 H new ATOM 0 H2'' DA A 5 4.801 4.166 -3.882 1.00 0.00 H new ATOM 0 H1' DA A 5 4.278 1.982 -3.151 1.00 0.00 H new ATOM 0 H8 DA A 5 6.024 3.482 -0.121 1.00 0.00 H new ATOM 0 H61 DA A 5 0.472 4.649 2.249 1.00 0.00 H new ATOM 0 H62 DA A 5 2.214 4.693 2.542 1.00 0.00 H new ATOM 0 H2 DA A 5 -0.064 3.113 -1.885 1.00 0.00 H new ATOM 159 P DC A 6 6.024 3.147 -6.213 1.00 0.00 P ATOM 160 OP1 DC A 6 6.175 1.690 -6.020 1.00 0.00 O ATOM 161 OP2 DC A 6 6.372 3.737 -7.524 1.00 0.00 O ATOM 162 O5' DC A 6 4.487 3.527 -5.893 1.00 0.00 O ATOM 163 C5' DC A 6 3.976 4.808 -6.196 1.00 0.00 C ATOM 164 C4' DC A 6 2.507 4.931 -5.770 1.00 0.00 C ATOM 165 O4' DC A 6 2.349 4.806 -4.353 1.00 0.00 O ATOM 166 C3' DC A 6 1.998 6.332 -6.146 1.00 0.00 C ATOM 167 O3' DC A 6 0.698 6.249 -6.710 1.00 0.00 O ATOM 168 C2' DC A 6 1.996 6.973 -4.769 1.00 0.00 C ATOM 169 C1' DC A 6 1.465 5.835 -3.930 1.00 0.00 C ATOM 170 N1 DC A 6 1.553 6.227 -2.502 1.00 0.00 N ATOM 171 C2 DC A 6 0.395 6.566 -1.803 1.00 0.00 C ATOM 172 O2 DC A 6 -0.714 6.517 -2.332 1.00 0.00 O ATOM 173 N3 DC A 6 0.494 6.961 -0.502 1.00 0.00 N ATOM 174 C4 DC A 6 1.692 7.070 0.081 1.00 0.00 C ATOM 175 N4 DC A 6 1.747 7.395 1.364 1.00 0.00 N ATOM 176 C5 DC A 6 2.891 6.725 -0.617 1.00 0.00 C ATOM 177 C6 DC A 6 2.769 6.331 -1.892 1.00 0.00 C ATOM 0 H5' DC A 6 4.064 4.995 -7.266 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.570 5.569 -5.690 1.00 0.00 H new ATOM 0 H4' DC A 6 1.955 4.135 -6.270 1.00 0.00 H new ATOM 0 H3' DC A 6 2.578 6.874 -6.892 1.00 0.00 H new ATOM 0 H2' DC A 6 2.992 7.287 -4.457 1.00 0.00 H new ATOM 0 H2'' DC A 6 1.356 7.854 -4.724 1.00 0.00 H new ATOM 0 H1' DC A 6 0.422 5.539 -4.040 1.00 0.00 H new ATOM 0 H41 DC A 6 2.650 7.484 1.829 1.00 0.00 H new ATOM 0 H42 DC A 6 0.886 7.557 1.887 1.00 0.00 H new ATOM 0 H5 DC A 6 3.856 6.780 -0.136 1.00 0.00 H new ATOM 0 H6 DC A 6 3.659 6.089 -2.453 1.00 0.00 H new ATOM 189 P DG A 7 -0.107 7.560 -7.207 1.00 0.00 P ATOM 190 OP1 DG A 7 -0.775 7.220 -8.481 1.00 0.00 O ATOM 191 OP2 DG A 7 0.820 8.711 -7.161 1.00 0.00 O ATOM 192 O5' DG A 7 -1.247 7.795 -6.081 1.00 0.00 O ATOM 193 C5' DG A 7 -2.421 7.006 -6.051 1.00 0.00 C ATOM 194 C4' DG A 7 -3.564 7.575 -5.192 1.00 0.00 C ATOM 195 O4' DG A 7 -3.140 7.812 -3.862 1.00 0.00 O ATOM 196 C3' DG A 7 -4.140 8.912 -5.677 1.00 0.00 C ATOM 197 O3' DG A 7 -5.467 8.947 -5.150 1.00 0.00 O ATOM 198 C2' DG A 7 -3.180 9.861 -4.964 1.00 0.00 C ATOM 199 C1' DG A 7 -3.217 9.203 -3.584 1.00 0.00 C ATOM 200 N9 DG A 7 -2.112 9.550 -2.677 1.00 0.00 N ATOM 201 C8 DG A 7 -0.779 9.623 -2.974 1.00 0.00 C ATOM 202 N7 DG A 7 -0.013 9.805 -1.934 1.00 0.00 N ATOM 203 C5 DG A 7 -0.902 9.786 -0.856 1.00 0.00 C ATOM 204 C6 DG A 7 -0.670 9.834 0.554 1.00 0.00 C ATOM 205 O6 DG A 7 0.377 10.066 1.148 1.00 0.00 O ATOM 206 N1 DG A 7 -1.812 9.576 1.302 1.00 0.00 N ATOM 207 C2 DG A 7 -3.064 9.442 0.767 1.00 0.00 C ATOM 208 N2 DG A 7 -4.076 9.219 1.599 1.00 0.00 N ATOM 209 N3 DG A 7 -3.313 9.483 -0.547 1.00 0.00 N ATOM 210 C4 DG A 7 -2.187 9.607 -1.304 1.00 0.00 C ATOM 0 H5' DG A 7 -2.165 6.014 -5.678 1.00 0.00 H new ATOM 0 H5'' DG A 7 -2.782 6.879 -7.072 1.00 0.00 H new ATOM 0 H4' DG A 7 -4.332 6.805 -5.267 1.00 0.00 H new ATOM 0 H3' DG A 7 -4.210 9.121 -6.745 1.00 0.00 H new ATOM 0 H2' DG A 7 -2.183 9.869 -5.405 1.00 0.00 H new ATOM 0 H2'' DG A 7 -3.532 10.893 -4.953 1.00 0.00 H new ATOM 0 H1' DG A 7 -4.113 9.541 -3.064 1.00 0.00 H new ATOM 0 H8 DG A 7 -0.395 9.538 -3.980 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.711 9.481 2.312 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.023 9.114 1.234 1.00 0.00 H new ATOM 0 H22 DG A 7 -3.906 9.153 2.603 1.00 0.00 H new ATOM 222 P DC A 8 -6.774 9.531 -5.914 1.00 0.00 P ATOM 223 OP1 DC A 8 -7.961 8.962 -5.242 1.00 0.00 O ATOM 224 OP2 DC A 8 -6.584 9.310 -7.364 1.00 0.00 O ATOM 225 O5' DC A 8 -6.782 11.125 -5.638 1.00 0.00 O ATOM 226 C5' DC A 8 -6.251 11.676 -4.450 1.00 0.00 C ATOM 227 C4' DC A 8 -7.086 11.564 -3.175 1.00 0.00 C ATOM 228 O4' DC A 8 -6.281 10.878 -2.230 1.00 0.00 O ATOM 229 C3' DC A 8 -7.421 12.933 -2.561 1.00 0.00 C ATOM 230 O3' DC A 8 -8.727 13.353 -2.892 1.00 0.00 O ATOM 231 C2' DC A 8 -7.279 12.665 -1.074 1.00 0.00 C ATOM 232 C1' DC A 8 -6.157 11.630 -1.035 1.00 0.00 C ATOM 233 N1 DC A 8 -4.796 12.228 -0.839 1.00 0.00 N ATOM 234 C2 DC A 8 -4.353 12.408 0.470 1.00 0.00 C ATOM 235 O2 DC A 8 -5.127 12.290 1.416 1.00 0.00 O ATOM 236 N3 DC A 8 -3.044 12.720 0.708 1.00 0.00 N ATOM 237 C4 DC A 8 -2.200 12.899 -0.313 1.00 0.00 C ATOM 238 N4 DC A 8 -0.920 13.125 -0.054 1.00 0.00 N ATOM 239 C5 DC A 8 -2.628 12.770 -1.669 1.00 0.00 C ATOM 240 C6 DC A 8 -3.920 12.433 -1.874 1.00 0.00 C ATOM 0 H5' DC A 8 -6.055 12.733 -4.630 1.00 0.00 H new ATOM 0 H5'' DC A 8 -5.288 11.201 -4.262 1.00 0.00 H new ATOM 0 H4' DC A 8 -8.023 11.062 -3.417 1.00 0.00 H new ATOM 0 H3' DC A 8 -6.780 13.737 -2.922 1.00 0.00 H new ATOM 0 H2' DC A 8 -7.019 13.568 -0.521 1.00 0.00 H new ATOM 0 H2'' DC A 8 -8.202 12.281 -0.640 1.00 0.00 H new ATOM 0 HO3' DC A 8 -8.904 14.226 -2.483 1.00 0.00 H new ATOM 0 H1' DC A 8 -6.258 10.984 -0.163 1.00 0.00 H new ATOM 0 H41 DC A 8 -0.261 13.264 -0.820 1.00 0.00 H new ATOM 0 H42 DC A 8 -0.594 13.160 0.912 1.00 0.00 H new ATOM 0 H5 DC A 8 -1.950 12.934 -2.493 1.00 0.00 H new ATOM 0 H6 DC A 8 -4.275 12.321 -2.888 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 9 0.846 12.373 9.965 1.00 0.00 O ATOM 255 C5' DG B 9 -0.311 12.329 10.771 1.00 0.00 C ATOM 256 C4' DG B 9 -1.388 11.426 10.154 1.00 0.00 C ATOM 257 O4' DG B 9 -1.488 11.693 8.768 1.00 0.00 O ATOM 258 C3' DG B 9 -1.061 9.927 10.264 1.00 0.00 C ATOM 259 O3' DG B 9 -2.207 9.107 10.141 1.00 0.00 O ATOM 260 C2' DG B 9 -0.258 9.687 8.990 1.00 0.00 C ATOM 261 C1' DG B 9 -1.099 10.538 8.039 1.00 0.00 C ATOM 262 N9 DG B 9 -0.455 10.985 6.788 1.00 0.00 N ATOM 263 C8 DG B 9 0.862 11.239 6.503 1.00 0.00 C ATOM 264 N7 DG B 9 1.060 11.743 5.317 1.00 0.00 N ATOM 265 C5 DG B 9 -0.220 11.837 4.773 1.00 0.00 C ATOM 266 C6 DG B 9 -0.666 12.309 3.501 1.00 0.00 C ATOM 267 O6 DG B 9 0.000 12.807 2.598 1.00 0.00 O ATOM 268 N1 DG B 9 -2.034 12.161 3.320 1.00 0.00 N ATOM 269 C2 DG B 9 -2.889 11.680 4.281 1.00 0.00 C ATOM 270 N2 DG B 9 -4.178 11.564 3.986 1.00 0.00 N ATOM 271 N3 DG B 9 -2.492 11.283 5.492 1.00 0.00 N ATOM 272 C4 DG B 9 -1.148 11.376 5.669 1.00 0.00 C ATOM 0 H5' DG B 9 -0.707 13.337 10.897 1.00 0.00 H new ATOM 0 H5'' DG B 9 -0.051 11.962 11.764 1.00 0.00 H new ATOM 0 H4' DG B 9 -2.304 11.641 10.704 1.00 0.00 H new ATOM 0 H3' DG B 9 -0.585 9.699 11.218 1.00 0.00 H new ATOM 0 H2' DG B 9 0.774 10.030 9.067 1.00 0.00 H new ATOM 0 H2'' DG B 9 -0.223 8.636 8.702 1.00 0.00 H new ATOM 0 HO5' DG B 9 1.513 12.957 10.382 1.00 0.00 H new ATOM 0 H1' DG B 9 -1.916 9.897 7.709 1.00 0.00 H new ATOM 0 H8 DG B 9 1.664 11.039 7.199 1.00 0.00 H new ATOM 0 H1 DG B 9 -2.429 12.426 2.418 1.00 0.00 H new ATOM 0 H21 DG B 9 -4.831 11.209 4.684 1.00 0.00 H new ATOM 0 H22 DG B 9 -4.515 11.830 3.061 1.00 0.00 H new ATOM 285 P DC B 10 -3.517 9.263 11.067 1.00 0.00 P ATOM 286 OP1 DC B 10 -4.560 9.958 10.283 1.00 0.00 O ATOM 287 OP2 DC B 10 -3.080 9.831 12.361 1.00 0.00 O ATOM 288 O5' DC B 10 -3.985 7.746 11.321 1.00 0.00 O ATOM 289 C5' DC B 10 -3.754 6.710 10.387 1.00 0.00 C ATOM 290 C4' DC B 10 -4.549 6.847 9.072 1.00 0.00 C ATOM 291 O4' DC B 10 -3.995 7.822 8.175 1.00 0.00 O ATOM 292 C3' DC B 10 -4.486 5.493 8.346 1.00 0.00 C ATOM 293 O3' DC B 10 -5.726 5.272 7.725 1.00 0.00 O ATOM 294 C2' DC B 10 -3.359 5.819 7.380 1.00 0.00 C ATOM 295 C1' DC B 10 -3.755 7.208 6.913 1.00 0.00 C ATOM 296 N1 DC B 10 -2.668 7.800 6.078 1.00 0.00 N ATOM 297 C2 DC B 10 -2.905 8.320 4.800 1.00 0.00 C ATOM 298 O2 DC B 10 -4.048 8.463 4.366 1.00 0.00 O ATOM 299 N3 DC B 10 -1.840 8.680 4.008 1.00 0.00 N ATOM 300 C4 DC B 10 -0.587 8.465 4.440 1.00 0.00 C ATOM 301 N4 DC B 10 0.439 8.913 3.725 1.00 0.00 N ATOM 302 C5 DC B 10 -0.325 7.871 5.710 1.00 0.00 C ATOM 303 C6 DC B 10 -1.390 7.571 6.466 1.00 0.00 C ATOM 0 H5' DC B 10 -4.005 5.756 10.851 1.00 0.00 H new ATOM 0 H5'' DC B 10 -2.690 6.680 10.152 1.00 0.00 H new ATOM 0 H4' DC B 10 -5.560 7.159 9.334 1.00 0.00 H new ATOM 0 H3' DC B 10 -4.310 4.589 8.930 1.00 0.00 H new ATOM 0 H2' DC B 10 -2.385 5.813 7.869 1.00 0.00 H new ATOM 0 H2'' DC B 10 -3.307 5.108 6.555 1.00 0.00 H new ATOM 0 H1' DC B 10 -4.614 7.299 6.248 1.00 0.00 H new ATOM 0 H41 DC B 10 1.394 8.753 4.047 1.00 0.00 H new ATOM 0 H42 DC B 10 0.272 9.417 2.854 1.00 0.00 H new ATOM 0 H5 DC B 10 0.682 7.673 6.046 1.00 0.00 H new ATOM 0 H6 DC B 10 -1.221 7.124 7.434 1.00 0.00 H new ATOM 315 P DG B 11 -6.322 3.802 7.507 1.00 0.00 P ATOM 316 OP1 DG B 11 -7.428 3.599 8.466 1.00 0.00 O ATOM 317 OP2 DG B 11 -5.199 2.841 7.448 1.00 0.00 O ATOM 318 O5' DG B 11 -6.923 3.977 6.038 1.00 0.00 O ATOM 319 C5' DG B 11 -7.887 4.967 5.752 1.00 0.00 C ATOM 320 C4' DG B 11 -8.173 4.976 4.248 1.00 0.00 C ATOM 321 O4' DG B 11 -7.123 5.672 3.602 1.00 0.00 O ATOM 322 C3' DG B 11 -8.230 3.559 3.663 1.00 0.00 C ATOM 323 O3' DG B 11 -9.259 3.494 2.693 1.00 0.00 O ATOM 324 C2' DG B 11 -6.826 3.379 3.094 1.00 0.00 C ATOM 325 C1' DG B 11 -6.400 4.805 2.750 1.00 0.00 C ATOM 326 N9 DG B 11 -4.955 5.026 2.959 1.00 0.00 N ATOM 327 C8 DG B 11 -4.223 4.806 4.096 1.00 0.00 C ATOM 328 N7 DG B 11 -2.984 5.193 4.019 1.00 0.00 N ATOM 329 C5 DG B 11 -2.871 5.670 2.718 1.00 0.00 C ATOM 330 C6 DG B 11 -1.728 6.140 2.013 1.00 0.00 C ATOM 331 O6 DG B 11 -0.592 6.317 2.443 1.00 0.00 O ATOM 332 N1 DG B 11 -1.992 6.412 0.684 1.00 0.00 N ATOM 333 C2 DG B 11 -3.225 6.280 0.096 1.00 0.00 C ATOM 334 N2 DG B 11 -3.321 6.524 -1.204 1.00 0.00 N ATOM 335 N3 DG B 11 -4.311 5.843 0.746 1.00 0.00 N ATOM 336 C4 DG B 11 -4.064 5.549 2.051 1.00 0.00 C ATOM 0 H5' DG B 11 -7.526 5.945 6.071 1.00 0.00 H new ATOM 0 H5'' DG B 11 -8.804 4.769 6.307 1.00 0.00 H new ATOM 0 H4' DG B 11 -9.141 5.452 4.091 1.00 0.00 H new ATOM 0 H3' DG B 11 -8.471 2.765 4.370 1.00 0.00 H new ATOM 0 H2' DG B 11 -6.153 2.922 3.820 1.00 0.00 H new ATOM 0 H2'' DG B 11 -6.828 2.736 2.214 1.00 0.00 H new ATOM 0 H1' DG B 11 -6.605 4.991 1.696 1.00 0.00 H new ATOM 0 H8 DG B 11 -4.640 4.350 4.982 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.219 6.732 0.101 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.222 6.436 -1.674 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.494 6.800 -1.734 1.00 0.00 H new ATOM 348 P DT B 12 -9.723 2.098 2.029 1.00 0.00 P ATOM 349 OP1 DT B 12 -11.067 2.294 1.445 1.00 0.00 O ATOM 350 OP2 DT B 12 -9.502 1.020 3.017 1.00 0.00 O ATOM 351 O5' DT B 12 -8.675 1.916 0.823 1.00 0.00 O ATOM 352 C5' DT B 12 -8.721 2.774 -0.296 1.00 0.00 C ATOM 353 C4' DT B 12 -7.530 2.543 -1.227 1.00 0.00 C ATOM 354 O4' DT B 12 -6.299 2.832 -0.606 1.00 0.00 O ATOM 355 C3' DT B 12 -7.386 1.092 -1.720 1.00 0.00 C ATOM 356 O3' DT B 12 -8.076 0.844 -2.943 1.00 0.00 O ATOM 357 C2' DT B 12 -5.870 0.844 -1.729 1.00 0.00 C ATOM 358 C1' DT B 12 -5.306 2.228 -1.414 1.00 0.00 C ATOM 359 N1 DT B 12 -4.024 2.235 -0.683 1.00 0.00 N ATOM 360 C2 DT B 12 -3.024 3.164 -0.918 1.00 0.00 C ATOM 361 O2 DT B 12 -2.952 3.815 -1.955 1.00 0.00 O ATOM 362 N3 DT B 12 -2.094 3.326 0.088 1.00 0.00 N ATOM 363 C4 DT B 12 -2.063 2.675 1.296 1.00 0.00 C ATOM 364 O4 DT B 12 -1.356 3.100 2.205 1.00 0.00 O ATOM 365 C5 DT B 12 -2.917 1.420 1.486 1.00 0.00 C ATOM 366 C7 DT B 12 -3.797 1.435 2.735 1.00 0.00 C ATOM 367 C6 DT B 12 -3.847 1.177 0.317 1.00 0.00 C ATOM 0 H5' DT B 12 -8.727 3.811 0.039 1.00 0.00 H new ATOM 0 H5'' DT B 12 -9.649 2.611 -0.843 1.00 0.00 H new ATOM 0 H4' DT B 12 -7.745 3.213 -2.060 1.00 0.00 H new ATOM 0 H3' DT B 12 -7.875 0.366 -1.071 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.575 0.106 -0.983 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.525 0.476 -2.695 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.086 2.744 -2.349 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.350 4.002 -0.084 1.00 0.00 H new ATOM 0 H71 DT B 12 -4.698 0.850 2.552 1.00 0.00 H new ATOM 0 H72 DT B 12 -3.248 1.004 3.572 1.00 0.00 H new ATOM 0 H73 DT B 12 -4.074 2.462 2.973 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.372 0.238 0.221 1.00 0.00 H new ATOM 380 P DA B 13 -7.696 1.466 -4.403 1.00 0.00 P ATOM 381 OP1 DA B 13 -7.245 2.865 -4.255 1.00 0.00 O ATOM 382 OP2 DA B 13 -8.824 1.164 -5.311 1.00 0.00 O ATOM 383 O5' DA B 13 -6.436 0.596 -4.867 1.00 0.00 O ATOM 384 C5' DA B 13 -6.577 -0.780 -5.114 1.00 0.00 C ATOM 385 C4' DA B 13 -5.216 -1.377 -5.455 1.00 0.00 C ATOM 386 O4' DA B 13 -4.344 -1.379 -4.339 1.00 0.00 O ATOM 387 C3' DA B 13 -5.414 -2.831 -5.878 1.00 0.00 C ATOM 388 O3' DA B 13 -4.580 -3.172 -6.958 1.00 0.00 O ATOM 389 C2' DA B 13 -4.942 -3.542 -4.626 1.00 0.00 C ATOM 390 C1' DA B 13 -3.762 -2.663 -4.204 1.00 0.00 C ATOM 391 N9 DA B 13 -3.361 -2.896 -2.799 1.00 0.00 N ATOM 392 C8 DA B 13 -4.188 -2.819 -1.716 1.00 0.00 C ATOM 393 N7 DA B 13 -3.654 -3.239 -0.601 1.00 0.00 N ATOM 394 C5 DA B 13 -2.317 -3.431 -0.945 1.00 0.00 C ATOM 395 C6 DA B 13 -1.165 -3.690 -0.176 1.00 0.00 C ATOM 396 N6 DA B 13 -1.197 -4.004 1.116 1.00 0.00 N ATOM 397 N1 DA B 13 0.038 -3.488 -0.724 1.00 0.00 N ATOM 398 C2 DA B 13 0.107 -3.196 -2.013 1.00 0.00 C ATOM 399 N3 DA B 13 -0.890 -3.022 -2.882 1.00 0.00 N ATOM 400 C4 DA B 13 -2.103 -3.128 -2.268 1.00 0.00 C ATOM 0 H5' DA B 13 -7.274 -0.943 -5.936 1.00 0.00 H new ATOM 0 H5'' DA B 13 -6.995 -1.277 -4.238 1.00 0.00 H new ATOM 0 H4' DA B 13 -4.777 -0.771 -6.248 1.00 0.00 H new ATOM 0 H3' DA B 13 -6.426 -3.066 -6.206 1.00 0.00 H new ATOM 0 H2' DA B 13 -5.717 -3.584 -3.861 1.00 0.00 H new ATOM 0 H2'' DA B 13 -4.637 -4.569 -4.827 1.00 0.00 H new ATOM 0 H1' DA B 13 -2.854 -2.837 -4.781 1.00 0.00 H new ATOM 0 H8 DA B 13 -5.198 -2.443 -1.776 1.00 0.00 H new ATOM 0 H61 DA B 13 -0.328 -4.181 1.620 1.00 0.00 H new ATOM 0 H62 DA B 13 -2.091 -4.068 1.603 1.00 0.00 H new ATOM 0 H2 DA B 13 1.103 -3.084 -2.415 1.00 0.00 H new ATOM 412 P DC B 14 -4.988 -2.821 -8.472 1.00 0.00 P ATOM 413 OP1 DC B 14 -5.228 -1.365 -8.560 1.00 0.00 O ATOM 414 OP2 DC B 14 -6.055 -3.761 -8.876 1.00 0.00 O ATOM 415 O5' DC B 14 -3.648 -3.180 -9.280 1.00 0.00 O ATOM 416 C5' DC B 14 -3.158 -4.503 -9.330 1.00 0.00 C ATOM 417 C4' DC B 14 -1.870 -4.642 -8.508 1.00 0.00 C ATOM 418 O4' DC B 14 -2.081 -4.568 -7.094 1.00 0.00 O ATOM 419 C3' DC B 14 -1.252 -6.020 -8.791 1.00 0.00 C ATOM 420 O3' DC B 14 0.121 -5.830 -9.096 1.00 0.00 O ATOM 421 C2' DC B 14 -1.470 -6.693 -7.442 1.00 0.00 C ATOM 422 C1' DC B 14 -1.220 -5.532 -6.499 1.00 0.00 C ATOM 423 N1 DC B 14 -1.529 -5.901 -5.088 1.00 0.00 N ATOM 424 C2 DC B 14 -0.475 -6.060 -4.190 1.00 0.00 C ATOM 425 O2 DC B 14 0.698 -5.929 -4.536 1.00 0.00 O ATOM 426 N3 DC B 14 -0.748 -6.371 -2.895 1.00 0.00 N ATOM 427 C4 DC B 14 -1.996 -6.640 -2.508 1.00 0.00 C ATOM 428 N4 DC B 14 -2.217 -6.928 -1.234 1.00 0.00 N ATOM 429 C5 DC B 14 -3.089 -6.583 -3.424 1.00 0.00 C ATOM 430 C6 DC B 14 -2.800 -6.220 -4.693 1.00 0.00 C ATOM 0 H5' DC B 14 -2.965 -4.785 -10.365 1.00 0.00 H new ATOM 0 H5'' DC B 14 -3.914 -5.189 -8.948 1.00 0.00 H new ATOM 0 H4' DC B 14 -1.227 -3.812 -8.802 1.00 0.00 H new ATOM 0 H3' DC B 14 -1.663 -6.593 -9.623 1.00 0.00 H new ATOM 0 H2' DC B 14 -2.477 -7.098 -7.341 1.00 0.00 H new ATOM 0 H2'' DC B 14 -0.777 -7.517 -7.275 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.193 -5.179 -6.401 1.00 0.00 H new ATOM 0 H41 DC B 14 -3.163 -7.137 -0.915 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.441 -6.941 -0.572 1.00 0.00 H new ATOM 0 H5 DC B 14 -4.098 -6.818 -3.118 1.00 0.00 H new ATOM 0 H6 DC B 14 -3.598 -6.180 -5.419 1.00 0.00 H new ATOM 442 P DG B 15 0.939 -6.738 -10.158 1.00 0.00 P ATOM 443 OP1 DG B 15 2.093 -5.938 -10.620 1.00 0.00 O ATOM 444 OP2 DG B 15 -0.019 -7.273 -11.149 1.00 0.00 O ATOM 445 O5' DG B 15 1.510 -7.973 -9.292 1.00 0.00 O ATOM 446 C5' DG B 15 2.162 -7.752 -8.059 1.00 0.00 C ATOM 447 C4' DG B 15 3.146 -8.879 -7.702 1.00 0.00 C ATOM 448 O4' DG B 15 3.226 -8.902 -6.289 1.00 0.00 O ATOM 449 C3' DG B 15 2.764 -10.304 -8.136 1.00 0.00 C ATOM 450 O3' DG B 15 3.896 -11.149 -8.026 1.00 0.00 O ATOM 451 C2' DG B 15 1.708 -10.506 -7.074 1.00 0.00 C ATOM 452 C1' DG B 15 2.448 -9.990 -5.838 1.00 0.00 C ATOM 453 N9 DG B 15 1.529 -9.627 -4.748 1.00 0.00 N ATOM 454 C8 DG B 15 0.178 -9.494 -4.816 1.00 0.00 C ATOM 455 N7 DG B 15 -0.418 -9.329 -3.671 1.00 0.00 N ATOM 456 C5 DG B 15 0.637 -9.334 -2.761 1.00 0.00 C ATOM 457 C6 DG B 15 0.639 -9.245 -1.336 1.00 0.00 C ATOM 458 O6 DG B 15 -0.323 -9.127 -0.581 1.00 0.00 O ATOM 459 N1 DG B 15 1.918 -9.306 -0.803 1.00 0.00 N ATOM 460 C2 DG B 15 3.058 -9.514 -1.542 1.00 0.00 C ATOM 461 N2 DG B 15 4.221 -9.650 -0.921 1.00 0.00 N ATOM 462 N3 DG B 15 3.062 -9.660 -2.867 1.00 0.00 N ATOM 463 C4 DG B 15 1.830 -9.528 -3.415 1.00 0.00 C ATOM 0 H5' DG B 15 1.417 -7.661 -7.269 1.00 0.00 H new ATOM 0 H5'' DG B 15 2.699 -6.805 -8.101 1.00 0.00 H new ATOM 0 H4' DG B 15 4.066 -8.646 -8.238 1.00 0.00 H new ATOM 0 H3' DG B 15 2.429 -10.493 -9.156 1.00 0.00 H new ATOM 0 H2' DG B 15 0.800 -9.939 -7.280 1.00 0.00 H new ATOM 0 H2'' DG B 15 1.415 -11.551 -6.975 1.00 0.00 H new ATOM 0 H1' DG B 15 3.080 -10.762 -5.400 1.00 0.00 H new ATOM 0 H8 DG B 15 -0.361 -9.523 -5.751 1.00 0.00 H new ATOM 0 H1 DG B 15 2.019 -9.189 0.205 1.00 0.00 H new ATOM 0 H21 DG B 15 5.072 -9.805 -1.461 1.00 0.00 H new ATOM 0 H22 DG B 15 4.265 -9.600 0.097 1.00 0.00 H new ATOM 475 P DC B 16 3.819 -12.751 -8.218 1.00 0.00 P ATOM 476 OP1 DC B 16 4.929 -13.158 -9.106 1.00 0.00 O ATOM 477 OP2 DC B 16 2.428 -13.115 -8.566 1.00 0.00 O ATOM 478 O5' DC B 16 4.139 -13.282 -6.729 1.00 0.00 O ATOM 479 C5' DC B 16 5.431 -13.110 -6.179 1.00 0.00 C ATOM 480 C4' DC B 16 5.477 -13.456 -4.692 1.00 0.00 C ATOM 481 O4' DC B 16 4.648 -12.562 -3.985 1.00 0.00 O ATOM 482 C3' DC B 16 4.957 -14.846 -4.332 1.00 0.00 C ATOM 483 O3' DC B 16 5.921 -15.858 -4.533 1.00 0.00 O ATOM 484 C2' DC B 16 4.619 -14.650 -2.858 1.00 0.00 C ATOM 485 C1' DC B 16 4.304 -13.150 -2.743 1.00 0.00 C ATOM 486 N1 DC B 16 2.864 -12.913 -2.462 1.00 0.00 N ATOM 487 C2 DC B 16 2.466 -12.755 -1.137 1.00 0.00 C ATOM 488 O2 DC B 16 3.275 -12.827 -0.215 1.00 0.00 O ATOM 489 N3 DC B 16 1.157 -12.515 -0.857 1.00 0.00 N ATOM 490 C4 DC B 16 0.257 -12.466 -1.844 1.00 0.00 C ATOM 491 N4 DC B 16 -0.993 -12.154 -1.531 1.00 0.00 N ATOM 492 C5 DC B 16 0.632 -12.626 -3.217 1.00 0.00 C ATOM 493 C6 DC B 16 1.943 -12.839 -3.477 1.00 0.00 C ATOM 0 H5' DC B 16 5.749 -12.077 -6.320 1.00 0.00 H new ATOM 0 H5'' DC B 16 6.140 -13.738 -6.718 1.00 0.00 H new ATOM 0 H4' DC B 16 6.534 -13.402 -4.432 1.00 0.00 H new ATOM 0 H3' DC B 16 4.121 -15.182 -4.946 1.00 0.00 H new ATOM 0 H2' DC B 16 3.767 -15.260 -2.560 1.00 0.00 H new ATOM 0 H2'' DC B 16 5.454 -14.933 -2.216 1.00 0.00 H new ATOM 0 HO3' DC B 16 5.540 -16.727 -4.287 1.00 0.00 H new ATOM 0 H1' DC B 16 4.868 -12.716 -1.918 1.00 0.00 H new ATOM 0 H41 DC B 16 -1.705 -12.108 -2.260 1.00 0.00 H new ATOM 0 H42 DC B 16 -1.243 -11.960 -0.561 1.00 0.00 H new ATOM 0 H5 DC B 16 -0.099 -12.579 -4.010 1.00 0.00 H new ATOM 0 H6 DC B 16 2.270 -12.953 -4.500 1.00 0.00 H new TER 506 DC B 16 HETATM 507 O1 PSO B 1 -1.039 0.175 -1.522 1.00 0.00 O HETATM 508 C2 PSO B 1 -2.293 0.098 -1.458 1.00 0.00 C HETATM 509 C3 PSO B 1 -3.070 -0.033 -0.157 1.00 0.00 C HETATM 510 C4 PSO B 1 -2.251 0.088 1.084 1.00 0.00 C HETATM 511 C5 PSO B 1 -0.053 0.416 1.952 1.00 0.00 C HETATM 512 C6 PSO B 1 1.323 0.628 1.765 1.00 0.00 C HETATM 513 C7 PSO B 1 1.843 0.625 0.520 1.00 0.00 C HETATM 514 C8 PSO B 1 1.033 0.310 -0.579 1.00 0.00 C HETATM 515 C9 PSO B 1 -0.367 0.254 -0.442 1.00 0.00 C HETATM 516 C10 PSO B 1 -0.890 0.244 0.843 1.00 0.00 C HETATM 517 C4' PSO B 1 2.421 0.348 2.741 1.00 0.00 C HETATM 518 C5' PSO B 1 3.594 0.619 1.816 1.00 0.00 C HETATM 519 O6' PSO B 1 3.092 0.719 0.476 1.00 0.00 O HETATM 520 O11 PSO B 1 -2.920 0.129 -2.509 1.00 0.00 O HETATM 521 C12 PSO B 1 -2.554 -1.013 2.111 1.00 0.00 C HETATM 522 C13 PSO B 1 2.355 1.141 4.053 1.00 0.00 C HETATM 523 O14 PSO B 1 1.970 2.492 3.924 1.00 0.00 O HETATM 524 C15 PSO B 1 4.335 1.838 2.365 1.00 0.00 C HETATM 525 C16 PSO B 1 1.664 0.018 -1.918 1.00 0.00 C HETATM 0 H163 PSO B 1 2.233 0.887 -2.249 1.00 0.00 H new HETATM 0 H162 PSO B 1 2.331 -0.839 -1.827 1.00 0.00 H new HETATM 0 H161 PSO B 1 0.885 -0.205 -2.647 1.00 0.00 H new HETATM 0 H153 PSO B 1 3.661 2.694 2.388 1.00 0.00 H new HETATM 0 H152 PSO B 1 4.686 1.626 3.375 1.00 0.00 H new HETATM 0 H151 PSO B 1 5.188 2.064 1.725 1.00 0.00 H new HETATM 0 H132 PSO B 1 1.654 0.644 4.724 1.00 0.00 H new HETATM 0 H131 PSO B 1 3.334 1.104 4.530 1.00 0.00 H new HETATM 0 H123 PSO B 1 -3.604 -0.962 2.400 1.00 0.00 H new HETATM 0 H122 PSO B 1 -2.346 -1.988 1.671 1.00 0.00 H new HETATM 0 H121 PSO B 1 -1.927 -0.872 2.992 1.00 0.00 H new HETATM 0 H5 PSO B 1 -0.469 0.385 2.959 1.00 0.00 H new HETATM 0 H14 PSO B 1 1.955 2.914 4.808 1.00 0.00 H new