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 -36:sc= 0.0351 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.93! (180deg=-1.93!) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 PSO O14 : rot 180:sc= -0.424 USER MOD Single : B 9 DG O5' : rot -32:sc= 0.0333 USER MOD Single : B 12 DT C7 :methyl 150:sc= -1.49 (180deg=-1.49) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -0.710 -12.553 9.418 1.00 0.00 O ATOM 2 C5' DG A 1 -0.448 -11.168 9.448 1.00 0.00 C ATOM 3 C4' DG A 1 1.000 -10.935 9.007 1.00 0.00 C ATOM 4 O4' DG A 1 1.172 -11.467 7.700 1.00 0.00 O ATOM 5 C3' DG A 1 1.336 -9.444 8.933 1.00 0.00 C ATOM 6 O3' DG A 1 2.724 -9.289 9.167 1.00 0.00 O ATOM 7 C2' DG A 1 0.929 -9.131 7.498 1.00 0.00 C ATOM 8 C1' DG A 1 1.331 -10.412 6.764 1.00 0.00 C ATOM 9 N9 DG A 1 0.499 -10.679 5.566 1.00 0.00 N ATOM 10 C8 DG A 1 -0.870 -10.716 5.472 1.00 0.00 C ATOM 11 N7 DG A 1 -1.320 -11.028 4.290 1.00 0.00 N ATOM 12 C5 DG A 1 -0.166 -11.237 3.541 1.00 0.00 C ATOM 13 C6 DG A 1 -0.010 -11.604 2.170 1.00 0.00 C ATOM 14 O6 DG A 1 -0.885 -11.809 1.332 1.00 0.00 O ATOM 15 N1 DG A 1 1.318 -11.729 1.797 1.00 0.00 N ATOM 16 C2 DG A 1 2.381 -11.501 2.637 1.00 0.00 C ATOM 17 N2 DG A 1 3.609 -11.645 2.153 1.00 0.00 N ATOM 18 N3 DG A 1 2.250 -11.137 3.918 1.00 0.00 N ATOM 19 C4 DG A 1 0.952 -11.030 4.313 1.00 0.00 C ATOM 0 H5' DG A 1 -0.605 -10.775 10.452 1.00 0.00 H new ATOM 0 H5'' DG A 1 -1.135 -10.639 8.787 1.00 0.00 H new ATOM 0 H4' DG A 1 1.650 -11.416 9.738 1.00 0.00 H new ATOM 0 H3' DG A 1 0.847 -8.790 9.655 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.139 -8.930 7.412 1.00 0.00 H new ATOM 0 H2'' DG A 1 1.450 -8.257 7.108 1.00 0.00 H new ATOM 0 HO5' DG A 1 -0.232 -12.960 8.666 1.00 0.00 H new ATOM 0 H1' DG A 1 2.355 -10.318 6.402 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.520 -10.504 6.308 1.00 0.00 H new ATOM 0 H1 DG A 1 1.520 -12.008 0.837 1.00 0.00 H new ATOM 0 H21 DG A 1 4.417 -11.482 2.754 1.00 0.00 H new ATOM 0 H22 DG A 1 3.745 -11.919 1.180 1.00 0.00 H new ATOM 32 P DC A 2 3.449 -7.848 9.195 1.00 0.00 P ATOM 33 OP1 DC A 2 4.399 -7.834 10.328 1.00 0.00 O ATOM 34 OP2 DC A 2 2.412 -6.798 9.093 1.00 0.00 O ATOM 35 O5' DC A 2 4.286 -7.861 7.819 1.00 0.00 O ATOM 36 C5' DC A 2 5.367 -8.756 7.651 1.00 0.00 C ATOM 37 C4' DC A 2 6.026 -8.568 6.283 1.00 0.00 C ATOM 38 O4' DC A 2 5.119 -8.901 5.253 1.00 0.00 O ATOM 39 C3' DC A 2 6.496 -7.129 6.043 1.00 0.00 C ATOM 40 O3' DC A 2 7.853 -7.236 5.657 1.00 0.00 O ATOM 41 C2' DC A 2 5.535 -6.606 4.961 1.00 0.00 C ATOM 42 C1' DC A 2 5.113 -7.893 4.260 1.00 0.00 C ATOM 43 N1 DC A 2 3.731 -7.863 3.708 1.00 0.00 N ATOM 44 C2 DC A 2 3.514 -8.306 2.408 1.00 0.00 C ATOM 45 O2 DC A 2 4.454 -8.563 1.661 1.00 0.00 O ATOM 46 N3 DC A 2 2.238 -8.461 1.951 1.00 0.00 N ATOM 47 C4 DC A 2 1.205 -8.159 2.746 1.00 0.00 C ATOM 48 N4 DC A 2 -0.021 -8.404 2.303 1.00 0.00 N ATOM 49 C5 DC A 2 1.389 -7.741 4.099 1.00 0.00 C ATOM 50 C6 DC A 2 2.663 -7.615 4.531 1.00 0.00 C ATOM 0 H5' DC A 2 5.013 -9.782 7.750 1.00 0.00 H new ATOM 0 H5'' DC A 2 6.103 -8.595 8.439 1.00 0.00 H new ATOM 0 H4' DC A 2 6.895 -9.226 6.274 1.00 0.00 H new ATOM 0 H3' DC A 2 6.467 -6.436 6.884 1.00 0.00 H new ATOM 0 H2' DC A 2 4.684 -6.079 5.392 1.00 0.00 H new ATOM 0 H2'' DC A 2 6.027 -5.913 4.279 1.00 0.00 H new ATOM 0 H1' DC A 2 5.796 -8.053 3.426 1.00 0.00 H new ATOM 0 H41 DC A 2 -0.828 -8.184 2.887 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.157 -8.812 1.378 1.00 0.00 H new ATOM 0 H5 DC A 2 0.549 -7.535 4.746 1.00 0.00 H new ATOM 0 H6 DC A 2 2.845 -7.311 5.551 1.00 0.00 H new ATOM 62 P DG A 3 8.814 -5.962 5.509 1.00 0.00 P ATOM 63 OP1 DG A 3 10.211 -6.439 5.446 1.00 0.00 O ATOM 64 OP2 DG A 3 8.418 -4.955 6.517 1.00 0.00 O ATOM 65 O5' DG A 3 8.371 -5.444 4.064 1.00 0.00 O ATOM 66 C5' DG A 3 8.642 -6.197 2.902 1.00 0.00 C ATOM 67 C4' DG A 3 8.001 -5.513 1.697 1.00 0.00 C ATOM 68 O4' DG A 3 6.662 -5.862 1.468 1.00 0.00 O ATOM 69 C3' DG A 3 8.027 -3.990 1.793 1.00 0.00 C ATOM 70 O3' DG A 3 8.410 -3.498 0.546 1.00 0.00 O ATOM 71 C2' DG A 3 6.576 -3.696 2.092 1.00 0.00 C ATOM 72 C1' DG A 3 5.979 -4.682 1.100 1.00 0.00 C ATOM 73 N9 DG A 3 4.570 -4.988 1.214 1.00 0.00 N ATOM 74 C8 DG A 3 3.830 -4.802 2.309 1.00 0.00 C ATOM 75 N7 DG A 3 2.589 -5.178 2.208 1.00 0.00 N ATOM 76 C5 DG A 3 2.514 -5.617 0.882 1.00 0.00 C ATOM 77 C6 DG A 3 1.400 -6.026 0.095 1.00 0.00 C ATOM 78 O6 DG A 3 0.245 -6.225 0.457 1.00 0.00 O ATOM 79 N1 DG A 3 1.731 -6.204 -1.237 1.00 0.00 N ATOM 80 C2 DG A 3 3.008 -6.146 -1.739 1.00 0.00 C ATOM 81 N2 DG A 3 3.200 -6.416 -3.024 1.00 0.00 N ATOM 82 N3 DG A 3 4.074 -5.836 -1.002 1.00 0.00 N ATOM 83 C4 DG A 3 3.746 -5.543 0.280 1.00 0.00 C ATOM 0 H5' DG A 3 8.251 -7.209 3.011 1.00 0.00 H new ATOM 0 H5'' DG A 3 9.718 -6.285 2.755 1.00 0.00 H new ATOM 0 H4' DG A 3 8.619 -5.872 0.874 1.00 0.00 H new ATOM 0 H3' DG A 3 8.706 -3.555 2.526 1.00 0.00 H new ATOM 0 H2' DG A 3 6.299 -3.905 3.125 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.297 -2.662 1.891 1.00 0.00 H new ATOM 0 H1' DG A 3 6.078 -4.277 0.093 1.00 0.00 H new ATOM 0 H8 DG A 3 4.233 -4.370 3.214 1.00 0.00 H new ATOM 0 H1 DG A 3 0.972 -6.392 -1.893 1.00 0.00 H new ATOM 0 H21 DG A 3 4.140 -6.379 -3.418 1.00 0.00 H new ATOM 0 H22 DG A 3 2.407 -6.661 -3.618 1.00 0.00 H new ATOM 95 P DT A 4 9.923 -3.509 0.039 1.00 0.00 P ATOM 96 OP1 DT A 4 10.101 -4.655 -0.877 1.00 0.00 O ATOM 97 OP2 DT A 4 10.807 -3.337 1.212 1.00 0.00 O ATOM 98 O5' DT A 4 9.854 -2.144 -0.780 1.00 0.00 O ATOM 99 C5' DT A 4 8.721 -1.835 -1.567 1.00 0.00 C ATOM 100 C4' DT A 4 7.542 -1.200 -0.786 1.00 0.00 C ATOM 101 O4' DT A 4 6.427 -2.087 -0.660 1.00 0.00 O ATOM 102 C3' DT A 4 7.761 -0.691 0.670 1.00 0.00 C ATOM 103 O3' DT A 4 9.007 0.007 0.858 1.00 0.00 O ATOM 104 C2' DT A 4 6.250 -0.374 0.712 1.00 0.00 C ATOM 105 C1' DT A 4 5.394 -1.284 -0.129 1.00 0.00 C ATOM 106 N1 DT A 4 4.195 -1.838 0.638 1.00 0.00 N ATOM 107 C2 DT A 4 3.198 -2.481 -0.087 1.00 0.00 C ATOM 108 O2 DT A 4 3.385 -2.865 -1.236 1.00 0.00 O ATOM 109 N3 DT A 4 1.969 -2.688 0.511 1.00 0.00 N ATOM 110 C4 DT A 4 1.566 -2.349 1.783 1.00 0.00 C ATOM 111 O4 DT A 4 0.497 -2.763 2.224 1.00 0.00 O ATOM 112 C5 DT A 4 2.466 -1.452 2.628 1.00 0.00 C ATOM 113 C7 DT A 4 2.678 -1.956 4.058 1.00 0.00 C ATOM 114 C6 DT A 4 3.791 -1.146 1.928 1.00 0.00 C ATOM 0 H5' DT A 4 8.370 -2.748 -2.048 1.00 0.00 H new ATOM 0 H5'' DT A 4 9.023 -1.152 -2.361 1.00 0.00 H new ATOM 0 H4' DT A 4 7.392 -0.331 -1.427 1.00 0.00 H new ATOM 0 H3' DT A 4 8.070 -1.133 1.617 1.00 0.00 H new ATOM 0 H2' DT A 4 5.909 -0.430 1.746 1.00 0.00 H new ATOM 0 H2'' DT A 4 6.099 0.654 0.381 1.00 0.00 H new ATOM 0 H1' DT A 4 4.782 -0.895 -0.943 1.00 0.00 H new ATOM 0 H3 DT A 4 1.268 -3.153 -0.066 1.00 0.00 H new ATOM 0 H71 DT A 4 3.659 -1.640 4.413 1.00 0.00 H new ATOM 0 H72 DT A 4 1.906 -1.543 4.708 1.00 0.00 H new ATOM 0 H73 DT A 4 2.620 -3.044 4.073 1.00 0.00 H new ATOM 0 H6 DT A 4 4.458 -0.417 2.364 1.00 0.00 H new ATOM 127 P DA A 5 9.789 1.068 -0.121 1.00 0.00 P ATOM 128 OP1 DA A 5 11.017 0.404 -0.606 1.00 0.00 O ATOM 129 OP2 DA A 5 9.903 2.339 0.625 1.00 0.00 O ATOM 130 O5' DA A 5 8.856 1.351 -1.396 1.00 0.00 O ATOM 131 C5' DA A 5 7.704 2.134 -1.237 1.00 0.00 C ATOM 132 C4' DA A 5 6.666 1.845 -2.336 1.00 0.00 C ATOM 133 O4' DA A 5 5.369 1.593 -1.809 1.00 0.00 O ATOM 134 C3' DA A 5 6.594 2.994 -3.309 1.00 0.00 C ATOM 135 O3' DA A 5 6.370 2.610 -4.655 1.00 0.00 O ATOM 136 C2' DA A 5 5.430 3.686 -2.700 1.00 0.00 C ATOM 137 C1' DA A 5 4.506 2.664 -2.128 1.00 0.00 C ATOM 138 N9 DA A 5 3.901 3.212 -0.894 1.00 0.00 N ATOM 139 C8 DA A 5 4.545 3.801 0.158 1.00 0.00 C ATOM 140 N7 DA A 5 3.783 4.205 1.129 1.00 0.00 N ATOM 141 C5 DA A 5 2.518 3.888 0.655 1.00 0.00 C ATOM 142 C6 DA A 5 1.232 4.083 1.174 1.00 0.00 C ATOM 143 N6 DA A 5 1.027 4.489 2.420 1.00 0.00 N ATOM 144 N1 DA A 5 0.186 3.914 0.357 1.00 0.00 N ATOM 145 C2 DA A 5 0.419 3.471 -0.868 1.00 0.00 C ATOM 146 N3 DA A 5 1.555 3.160 -1.458 1.00 0.00 N ATOM 147 C4 DA A 5 2.580 3.390 -0.619 1.00 0.00 C ATOM 0 H5' DA A 5 7.975 3.190 -1.260 1.00 0.00 H new ATOM 0 H5'' DA A 5 7.263 1.939 -0.259 1.00 0.00 H new ATOM 0 H4' DA A 5 6.999 0.943 -2.849 1.00 0.00 H new ATOM 0 H3' DA A 5 7.510 3.575 -3.418 1.00 0.00 H new ATOM 0 H2' DA A 5 5.764 4.371 -1.920 1.00 0.00 H new ATOM 0 H2'' DA A 5 4.913 4.285 -3.450 1.00 0.00 H new ATOM 0 H1' DA A 5 3.695 2.371 -2.795 1.00 0.00 H new ATOM 0 H8 DA A 5 5.618 3.923 0.180 1.00 0.00 H new ATOM 0 H61 DA A 5 0.076 4.620 2.764 1.00 0.00 H new ATOM 0 H62 DA A 5 1.821 4.670 3.035 1.00 0.00 H new ATOM 0 H2 DA A 5 -0.461 3.344 -1.481 1.00 0.00 H new ATOM 159 P DC A 6 6.380 3.692 -5.861 1.00 0.00 P ATOM 160 OP1 DC A 6 6.274 2.950 -7.135 1.00 0.00 O ATOM 161 OP2 DC A 6 7.530 4.594 -5.634 1.00 0.00 O ATOM 162 O5' DC A 6 5.024 4.552 -5.658 1.00 0.00 O ATOM 163 C5' DC A 6 3.760 4.020 -6.001 1.00 0.00 C ATOM 164 C4' DC A 6 2.602 4.893 -5.490 1.00 0.00 C ATOM 165 O4' DC A 6 2.464 4.842 -4.075 1.00 0.00 O ATOM 166 C3' DC A 6 2.691 6.391 -5.855 1.00 0.00 C ATOM 167 O3' DC A 6 1.628 6.696 -6.747 1.00 0.00 O ATOM 168 C2' DC A 6 2.535 7.045 -4.479 1.00 0.00 C ATOM 169 C1' DC A 6 1.726 6.002 -3.735 1.00 0.00 C ATOM 170 N1 DC A 6 1.677 6.331 -2.288 1.00 0.00 N ATOM 171 C2 DC A 6 0.452 6.684 -1.709 1.00 0.00 C ATOM 172 O2 DC A 6 -0.601 6.663 -2.343 1.00 0.00 O ATOM 173 N3 DC A 6 0.413 7.062 -0.402 1.00 0.00 N ATOM 174 C4 DC A 6 1.545 7.153 0.298 1.00 0.00 C ATOM 175 N4 DC A 6 1.478 7.444 1.587 1.00 0.00 N ATOM 176 C5 DC A 6 2.799 6.771 -0.260 1.00 0.00 C ATOM 177 C6 DC A 6 2.825 6.361 -1.541 1.00 0.00 C ATOM 0 H5' DC A 6 3.666 3.016 -5.586 1.00 0.00 H new ATOM 0 H5'' DC A 6 3.690 3.925 -7.085 1.00 0.00 H new ATOM 0 H4' DC A 6 1.746 4.453 -6.001 1.00 0.00 H new ATOM 0 H3' DC A 6 3.598 6.719 -6.362 1.00 0.00 H new ATOM 0 H2' DC A 6 3.498 7.233 -4.003 1.00 0.00 H new ATOM 0 H2'' DC A 6 2.016 8.002 -4.537 1.00 0.00 H new ATOM 0 H1' DC A 6 0.670 5.908 -3.987 1.00 0.00 H new ATOM 0 H41 DC A 6 2.333 7.518 2.138 1.00 0.00 H new ATOM 0 H42 DC A 6 0.571 7.595 2.029 1.00 0.00 H new ATOM 0 H5 DC A 6 3.703 6.810 0.329 1.00 0.00 H new ATOM 0 H6 DC A 6 3.760 6.052 -1.985 1.00 0.00 H new ATOM 189 P DG A 7 1.259 8.200 -7.219 1.00 0.00 P ATOM 190 OP1 DG A 7 0.908 8.147 -8.655 1.00 0.00 O ATOM 191 OP2 DG A 7 2.330 9.113 -6.764 1.00 0.00 O ATOM 192 O5' DG A 7 -0.084 8.524 -6.374 1.00 0.00 O ATOM 193 C5' DG A 7 -1.277 7.814 -6.651 1.00 0.00 C ATOM 194 C4' DG A 7 -2.511 8.297 -5.877 1.00 0.00 C ATOM 195 O4' DG A 7 -2.247 8.256 -4.486 1.00 0.00 O ATOM 196 C3' DG A 7 -2.936 9.731 -6.220 1.00 0.00 C ATOM 197 O3' DG A 7 -4.353 9.804 -6.165 1.00 0.00 O ATOM 198 C2' DG A 7 -2.240 10.498 -5.114 1.00 0.00 C ATOM 199 C1' DG A 7 -2.444 9.547 -3.938 1.00 0.00 C ATOM 200 N9 DG A 7 -1.477 9.770 -2.849 1.00 0.00 N ATOM 201 C8 DG A 7 -0.119 9.900 -2.949 1.00 0.00 C ATOM 202 N7 DG A 7 0.488 10.046 -1.804 1.00 0.00 N ATOM 203 C5 DG A 7 -0.546 9.966 -0.869 1.00 0.00 C ATOM 204 C6 DG A 7 -0.522 10.006 0.558 1.00 0.00 C ATOM 205 O6 DG A 7 0.428 10.240 1.298 1.00 0.00 O ATOM 206 N1 DG A 7 -1.758 9.738 1.128 1.00 0.00 N ATOM 207 C2 DG A 7 -2.916 9.585 0.412 1.00 0.00 C ATOM 208 N2 DG A 7 -4.047 9.385 1.079 1.00 0.00 N ATOM 209 N3 DG A 7 -2.969 9.622 -0.922 1.00 0.00 N ATOM 210 C4 DG A 7 -1.748 9.773 -1.502 1.00 0.00 C ATOM 0 H5' DG A 7 -1.115 6.760 -6.427 1.00 0.00 H new ATOM 0 H5'' DG A 7 -1.485 7.885 -7.719 1.00 0.00 H new ATOM 0 H4' DG A 7 -3.321 7.627 -6.165 1.00 0.00 H new ATOM 0 H3' DG A 7 -2.675 10.107 -7.209 1.00 0.00 H new ATOM 0 H2' DG A 7 -1.185 10.669 -5.330 1.00 0.00 H new ATOM 0 H2'' DG A 7 -2.692 11.474 -4.940 1.00 0.00 H new ATOM 0 H1' DG A 7 -3.429 9.692 -3.494 1.00 0.00 H new ATOM 0 H8 DG A 7 0.405 9.883 -3.893 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.808 9.649 2.143 1.00 0.00 H new ATOM 0 H21 DG A 7 -4.924 9.268 0.572 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.038 9.349 2.098 1.00 0.00 H new ATOM 222 P DC A 8 -5.175 11.139 -6.555 1.00 0.00 P ATOM 223 OP1 DC A 8 -6.324 10.738 -7.394 1.00 0.00 O ATOM 224 OP2 DC A 8 -4.214 12.143 -7.060 1.00 0.00 O ATOM 225 O5' DC A 8 -5.728 11.648 -5.130 1.00 0.00 O ATOM 226 C5' DC A 8 -6.884 11.071 -4.552 1.00 0.00 C ATOM 227 C4' DC A 8 -7.056 11.560 -3.112 1.00 0.00 C ATOM 228 O4' DC A 8 -5.929 11.209 -2.338 1.00 0.00 O ATOM 229 C3' DC A 8 -7.155 13.076 -2.970 1.00 0.00 C ATOM 230 O3' DC A 8 -8.450 13.556 -3.261 1.00 0.00 O ATOM 231 C2' DC A 8 -6.796 13.254 -1.500 1.00 0.00 C ATOM 232 C1' DC A 8 -5.895 12.048 -1.193 1.00 0.00 C ATOM 233 N1 DC A 8 -4.496 12.467 -0.910 1.00 0.00 N ATOM 234 C2 DC A 8 -4.104 12.628 0.416 1.00 0.00 C ATOM 235 O2 DC A 8 -4.916 12.538 1.334 1.00 0.00 O ATOM 236 N3 DC A 8 -2.797 12.887 0.701 1.00 0.00 N ATOM 237 C4 DC A 8 -1.912 13.037 -0.291 1.00 0.00 C ATOM 238 N4 DC A 8 -0.636 13.207 0.029 1.00 0.00 N ATOM 239 C5 DC A 8 -2.293 12.932 -1.667 1.00 0.00 C ATOM 240 C6 DC A 8 -3.590 12.643 -1.923 1.00 0.00 C ATOM 0 H5' DC A 8 -6.803 9.984 -4.567 1.00 0.00 H new ATOM 0 H5'' DC A 8 -7.763 11.334 -5.140 1.00 0.00 H new ATOM 0 H4' DC A 8 -7.984 11.093 -2.783 1.00 0.00 H new ATOM 0 H3' DC A 8 -6.517 13.631 -3.658 1.00 0.00 H new ATOM 0 H2' DC A 8 -6.276 14.196 -1.327 1.00 0.00 H new ATOM 0 H2'' DC A 8 -7.685 13.260 -0.869 1.00 0.00 H new ATOM 0 HO3' DC A 8 -8.469 14.530 -3.156 1.00 0.00 H new ATOM 0 H1' DC A 8 -6.255 11.530 -0.304 1.00 0.00 H new ATOM 0 H41 DC A 8 0.063 13.324 -0.705 1.00 0.00 H new ATOM 0 H42 DC A 8 -0.353 13.221 1.009 1.00 0.00 H new ATOM 0 H5 DC A 8 -1.578 13.077 -2.464 1.00 0.00 H new ATOM 0 H6 DC A 8 -3.918 12.549 -2.948 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 9 0.045 13.469 9.925 1.00 0.00 O ATOM 255 C5' DG B 9 0.260 12.110 10.233 1.00 0.00 C ATOM 256 C4' DG B 9 -1.091 11.389 10.234 1.00 0.00 C ATOM 257 O4' DG B 9 -1.745 11.546 8.984 1.00 0.00 O ATOM 258 C3' DG B 9 -0.956 9.880 10.418 1.00 0.00 C ATOM 259 O3' DG B 9 -2.203 9.449 10.932 1.00 0.00 O ATOM 260 C2' DG B 9 -0.650 9.441 8.982 1.00 0.00 C ATOM 261 C1' DG B 9 -1.455 10.439 8.140 1.00 0.00 C ATOM 262 N9 DG B 9 -0.783 10.953 6.920 1.00 0.00 N ATOM 263 C8 DG B 9 0.549 11.188 6.676 1.00 0.00 C ATOM 264 N7 DG B 9 0.797 11.736 5.521 1.00 0.00 N ATOM 265 C5 DG B 9 -0.461 11.885 4.946 1.00 0.00 C ATOM 266 C6 DG B 9 -0.841 12.401 3.670 1.00 0.00 C ATOM 267 O6 DG B 9 -0.124 12.896 2.804 1.00 0.00 O ATOM 268 N1 DG B 9 -2.202 12.304 3.434 1.00 0.00 N ATOM 269 C2 DG B 9 -3.110 11.833 4.352 1.00 0.00 C ATOM 270 N2 DG B 9 -4.392 11.801 4.011 1.00 0.00 N ATOM 271 N3 DG B 9 -2.771 11.374 5.563 1.00 0.00 N ATOM 272 C4 DG B 9 -1.432 11.415 5.795 1.00 0.00 C ATOM 0 H5' DG B 9 0.740 12.014 11.207 1.00 0.00 H new ATOM 0 H5'' DG B 9 0.930 11.658 9.501 1.00 0.00 H new ATOM 0 H4' DG B 9 -1.646 11.832 11.061 1.00 0.00 H new ATOM 0 H3' DG B 9 -0.201 9.489 11.100 1.00 0.00 H new ATOM 0 H2' DG B 9 0.416 9.494 8.762 1.00 0.00 H new ATOM 0 H2'' DG B 9 -0.963 8.413 8.798 1.00 0.00 H new ATOM 0 HO5' DG B 9 -0.718 13.549 9.315 1.00 0.00 H new ATOM 0 H1' DG B 9 -2.331 9.902 7.777 1.00 0.00 H new ATOM 0 H8 DG B 9 1.326 10.939 7.384 1.00 0.00 H new ATOM 0 H1 DG B 9 -2.552 12.600 2.523 1.00 0.00 H new ATOM 0 H21 DG B 9 -5.087 11.456 4.673 1.00 0.00 H new ATOM 0 H22 DG B 9 -4.682 12.121 3.087 1.00 0.00 H new ATOM 285 P DC B 10 -2.587 7.907 11.155 1.00 0.00 P ATOM 286 OP1 DC B 10 -3.420 7.807 12.373 1.00 0.00 O ATOM 287 OP2 DC B 10 -1.358 7.094 11.030 1.00 0.00 O ATOM 288 O5' DC B 10 -3.511 7.638 9.868 1.00 0.00 O ATOM 289 C5' DC B 10 -4.790 8.231 9.753 1.00 0.00 C ATOM 290 C4' DC B 10 -5.439 7.864 8.413 1.00 0.00 C ATOM 291 O4' DC B 10 -4.738 8.497 7.345 1.00 0.00 O ATOM 292 C3' DC B 10 -5.411 6.347 8.164 1.00 0.00 C ATOM 293 O3' DC B 10 -6.637 5.986 7.582 1.00 0.00 O ATOM 294 C2' DC B 10 -4.209 6.268 7.226 1.00 0.00 C ATOM 295 C1' DC B 10 -4.368 7.527 6.382 1.00 0.00 C ATOM 296 N1 DC B 10 -3.121 7.902 5.666 1.00 0.00 N ATOM 297 C2 DC B 10 -3.163 8.517 4.416 1.00 0.00 C ATOM 298 O2 DC B 10 -4.231 8.730 3.844 1.00 0.00 O ATOM 299 N3 DC B 10 -1.989 8.891 3.813 1.00 0.00 N ATOM 300 C4 DC B 10 -0.817 8.607 4.402 1.00 0.00 C ATOM 301 N4 DC B 10 0.309 9.047 3.853 1.00 0.00 N ATOM 302 C5 DC B 10 -0.754 7.923 5.653 1.00 0.00 C ATOM 303 C6 DC B 10 -1.920 7.598 6.220 1.00 0.00 C ATOM 0 H5' DC B 10 -4.703 9.314 9.836 1.00 0.00 H new ATOM 0 H5'' DC B 10 -5.426 7.899 10.574 1.00 0.00 H new ATOM 0 H4' DC B 10 -6.475 8.201 8.454 1.00 0.00 H new ATOM 0 H3' DC B 10 -5.309 5.679 9.019 1.00 0.00 H new ATOM 0 H2' DC B 10 -3.266 6.262 7.773 1.00 0.00 H new ATOM 0 H2'' DC B 10 -4.229 5.365 6.616 1.00 0.00 H new ATOM 0 H1' DC B 10 -5.096 7.408 5.579 1.00 0.00 H new ATOM 0 H41 DC B 10 1.206 8.838 4.291 1.00 0.00 H new ATOM 0 H42 DC B 10 0.277 9.594 2.993 1.00 0.00 H new ATOM 0 H5 DC B 10 0.190 7.680 6.119 1.00 0.00 H new ATOM 0 H6 DC B 10 -1.906 7.069 7.162 1.00 0.00 H new ATOM 315 P DG B 11 -7.061 4.459 7.348 1.00 0.00 P ATOM 316 OP1 DG B 11 -8.288 4.192 8.127 1.00 0.00 O ATOM 317 OP2 DG B 11 -5.869 3.599 7.514 1.00 0.00 O ATOM 318 O5' DG B 11 -7.423 4.527 5.792 1.00 0.00 O ATOM 319 C5' DG B 11 -8.394 5.434 5.318 1.00 0.00 C ATOM 320 C4' DG B 11 -8.514 5.308 3.801 1.00 0.00 C ATOM 321 O4' DG B 11 -7.355 5.848 3.197 1.00 0.00 O ATOM 322 C3' DG B 11 -8.640 3.847 3.368 1.00 0.00 C ATOM 323 O3' DG B 11 -9.630 3.803 2.360 1.00 0.00 O ATOM 324 C2' DG B 11 -7.217 3.501 2.919 1.00 0.00 C ATOM 325 C1' DG B 11 -6.661 4.854 2.466 1.00 0.00 C ATOM 326 N9 DG B 11 -5.222 5.021 2.752 1.00 0.00 N ATOM 327 C8 DG B 11 -4.578 4.820 3.946 1.00 0.00 C ATOM 328 N7 DG B 11 -3.346 5.234 3.969 1.00 0.00 N ATOM 329 C5 DG B 11 -3.140 5.704 2.678 1.00 0.00 C ATOM 330 C6 DG B 11 -1.958 6.209 2.074 1.00 0.00 C ATOM 331 O6 DG B 11 -0.872 6.408 2.605 1.00 0.00 O ATOM 332 N1 DG B 11 -2.110 6.491 0.731 1.00 0.00 N ATOM 333 C2 DG B 11 -3.289 6.360 0.044 1.00 0.00 C ATOM 334 N2 DG B 11 -3.261 6.608 -1.260 1.00 0.00 N ATOM 335 N3 DG B 11 -4.418 5.894 0.600 1.00 0.00 N ATOM 336 C4 DG B 11 -4.274 5.574 1.917 1.00 0.00 C ATOM 0 H5' DG B 11 -8.117 6.453 5.588 1.00 0.00 H new ATOM 0 H5'' DG B 11 -9.356 5.230 5.787 1.00 0.00 H new ATOM 0 H4' DG B 11 -9.409 5.847 3.490 1.00 0.00 H new ATOM 0 H3' DG B 11 -8.962 3.124 4.117 1.00 0.00 H new ATOM 0 H2' DG B 11 -6.629 3.075 3.732 1.00 0.00 H new ATOM 0 H2'' DG B 11 -7.215 2.772 2.109 1.00 0.00 H new ATOM 0 H1' DG B 11 -6.791 4.927 1.386 1.00 0.00 H new ATOM 0 H8 DG B 11 -5.055 4.356 4.797 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.292 6.818 0.217 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.114 6.524 -1.814 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.387 6.883 -1.708 1.00 0.00 H new ATOM 348 P DT B 12 -10.215 2.421 1.789 1.00 0.00 P ATOM 349 OP1 DT B 12 -11.535 2.693 1.182 1.00 0.00 O ATOM 350 OP2 DT B 12 -10.082 1.387 2.838 1.00 0.00 O ATOM 351 O5' DT B 12 -9.162 2.113 0.626 1.00 0.00 O ATOM 352 C5' DT B 12 -9.136 2.892 -0.551 1.00 0.00 C ATOM 353 C4' DT B 12 -7.911 2.514 -1.381 1.00 0.00 C ATOM 354 O4' DT B 12 -6.709 2.869 -0.737 1.00 0.00 O ATOM 355 C3' DT B 12 -7.799 1.009 -1.619 1.00 0.00 C ATOM 356 O3' DT B 12 -8.560 0.688 -2.766 1.00 0.00 O ATOM 357 C2' DT B 12 -6.281 0.805 -1.728 1.00 0.00 C ATOM 358 C1' DT B 12 -5.688 2.190 -1.438 1.00 0.00 C ATOM 359 N1 DT B 12 -4.443 2.212 -0.633 1.00 0.00 N ATOM 360 C2 DT B 12 -3.459 3.174 -0.813 1.00 0.00 C ATOM 361 O2 DT B 12 -3.398 3.871 -1.820 1.00 0.00 O ATOM 362 N3 DT B 12 -2.536 3.317 0.207 1.00 0.00 N ATOM 363 C4 DT B 12 -2.494 2.606 1.379 1.00 0.00 C ATOM 364 O4 DT B 12 -1.798 2.986 2.315 1.00 0.00 O ATOM 365 C5 DT B 12 -3.324 1.334 1.502 1.00 0.00 C ATOM 366 C7 DT B 12 -4.248 1.332 2.725 1.00 0.00 C ATOM 367 C6 DT B 12 -4.240 1.109 0.318 1.00 0.00 C ATOM 0 H5' DT B 12 -9.105 3.952 -0.298 1.00 0.00 H new ATOM 0 H5'' DT B 12 -10.046 2.728 -1.129 1.00 0.00 H new ATOM 0 H4' DT B 12 -8.049 3.053 -2.318 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.198 0.347 -0.850 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.927 0.063 -1.012 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.998 0.451 -2.719 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.388 2.643 -2.383 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.812 4.024 0.074 1.00 0.00 H new ATOM 0 H71 DT B 12 -5.137 0.740 2.508 1.00 0.00 H new ATOM 0 H72 DT B 12 -3.723 0.900 3.577 1.00 0.00 H new ATOM 0 H73 DT B 12 -4.542 2.355 2.960 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.734 0.159 0.175 1.00 0.00 H new ATOM 380 P DA B 13 -8.897 -0.831 -3.177 1.00 0.00 P ATOM 381 OP1 DA B 13 -9.970 -0.799 -4.194 1.00 0.00 O ATOM 382 OP2 DA B 13 -9.079 -1.619 -1.939 1.00 0.00 O ATOM 383 O5' DA B 13 -7.539 -1.298 -3.883 1.00 0.00 O ATOM 384 C5' DA B 13 -7.052 -0.623 -5.024 1.00 0.00 C ATOM 385 C4' DA B 13 -5.742 -1.279 -5.442 1.00 0.00 C ATOM 386 O4' DA B 13 -4.817 -1.267 -4.372 1.00 0.00 O ATOM 387 C3' DA B 13 -5.975 -2.730 -5.865 1.00 0.00 C ATOM 388 O3' DA B 13 -5.543 -2.851 -7.205 1.00 0.00 O ATOM 389 C2' DA B 13 -5.155 -3.494 -4.825 1.00 0.00 C ATOM 390 C1' DA B 13 -4.113 -2.492 -4.330 1.00 0.00 C ATOM 391 N9 DA B 13 -3.734 -2.782 -2.927 1.00 0.00 N ATOM 392 C8 DA B 13 -4.580 -2.808 -1.848 1.00 0.00 C ATOM 393 N7 DA B 13 -4.047 -3.283 -0.758 1.00 0.00 N ATOM 394 C5 DA B 13 -2.706 -3.413 -1.099 1.00 0.00 C ATOM 395 C6 DA B 13 -1.564 -3.696 -0.330 1.00 0.00 C ATOM 396 N6 DA B 13 -1.633 -4.067 0.944 1.00 0.00 N ATOM 397 N1 DA B 13 -0.356 -3.454 -0.852 1.00 0.00 N ATOM 398 C2 DA B 13 -0.274 -3.059 -2.113 1.00 0.00 C ATOM 399 N3 DA B 13 -1.263 -2.845 -2.981 1.00 0.00 N ATOM 400 C4 DA B 13 -2.481 -3.022 -2.395 1.00 0.00 C ATOM 0 H5' DA B 13 -6.895 0.433 -4.803 1.00 0.00 H new ATOM 0 H5'' DA B 13 -7.779 -0.674 -5.835 1.00 0.00 H new ATOM 0 H4' DA B 13 -5.343 -0.711 -6.282 1.00 0.00 H new ATOM 0 H3' DA B 13 -6.999 -3.104 -5.874 1.00 0.00 H new ATOM 0 H2' DA B 13 -5.784 -3.846 -4.007 1.00 0.00 H new ATOM 0 H2'' DA B 13 -4.681 -4.372 -5.263 1.00 0.00 H new ATOM 0 H1' DA B 13 -3.196 -2.507 -4.919 1.00 0.00 H new ATOM 0 H8 DA B 13 -5.602 -2.464 -1.898 1.00 0.00 H new ATOM 0 H61 DA B 13 -0.778 -4.263 1.465 1.00 0.00 H new ATOM 0 H62 DA B 13 -2.541 -4.156 1.401 1.00 0.00 H new ATOM 0 H2 DA B 13 0.724 -2.888 -2.487 1.00 0.00 H new ATOM 412 P DC B 14 -5.659 -4.217 -8.050 1.00 0.00 P ATOM 413 OP1 DC B 14 -6.038 -3.870 -9.436 1.00 0.00 O ATOM 414 OP2 DC B 14 -6.470 -5.182 -7.276 1.00 0.00 O ATOM 415 O5' DC B 14 -4.132 -4.703 -8.033 1.00 0.00 O ATOM 416 C5' DC B 14 -3.118 -3.893 -8.594 1.00 0.00 C ATOM 417 C4' DC B 14 -1.762 -4.383 -8.096 1.00 0.00 C ATOM 418 O4' DC B 14 -1.783 -4.431 -6.675 1.00 0.00 O ATOM 419 C3' DC B 14 -1.429 -5.794 -8.606 1.00 0.00 C ATOM 420 O3' DC B 14 -0.088 -5.774 -9.070 1.00 0.00 O ATOM 421 C2' DC B 14 -1.610 -6.612 -7.329 1.00 0.00 C ATOM 422 C1' DC B 14 -1.116 -5.613 -6.288 1.00 0.00 C ATOM 423 N1 DC B 14 -1.434 -6.008 -4.888 1.00 0.00 N ATOM 424 C2 DC B 14 -0.388 -6.131 -3.980 1.00 0.00 C ATOM 425 O2 DC B 14 0.783 -6.038 -4.336 1.00 0.00 O ATOM 426 N3 DC B 14 -0.664 -6.362 -2.671 1.00 0.00 N ATOM 427 C4 DC B 14 -1.918 -6.567 -2.269 1.00 0.00 C ATOM 428 N4 DC B 14 -2.132 -6.758 -0.974 1.00 0.00 N ATOM 429 C5 DC B 14 -3.018 -6.489 -3.180 1.00 0.00 C ATOM 430 C6 DC B 14 -2.724 -6.213 -4.471 1.00 0.00 C ATOM 0 H5' DC B 14 -3.269 -2.851 -8.312 1.00 0.00 H new ATOM 0 H5'' DC B 14 -3.159 -3.938 -9.682 1.00 0.00 H new ATOM 0 H4' DC B 14 -1.008 -3.691 -8.470 1.00 0.00 H new ATOM 0 H3' DC B 14 -2.027 -6.183 -9.430 1.00 0.00 H new ATOM 0 H2' DC B 14 -2.648 -6.902 -7.166 1.00 0.00 H new ATOM 0 H2'' DC B 14 -1.020 -7.529 -7.337 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.030 -5.524 -6.270 1.00 0.00 H new ATOM 0 H41 DC B 14 -3.080 -6.918 -0.632 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.349 -6.745 -0.320 1.00 0.00 H new ATOM 0 H5 DC B 14 -4.035 -6.643 -2.852 1.00 0.00 H new ATOM 0 H6 DC B 14 -3.526 -6.153 -5.192 1.00 0.00 H new ATOM 442 P DG B 15 0.516 -6.850 -10.117 1.00 0.00 P ATOM 443 OP1 DG B 15 1.642 -6.195 -10.815 1.00 0.00 O ATOM 444 OP2 DG B 15 -0.603 -7.410 -10.905 1.00 0.00 O ATOM 445 O5' DG B 15 1.125 -8.030 -9.203 1.00 0.00 O ATOM 446 C5' DG B 15 1.884 -7.744 -8.045 1.00 0.00 C ATOM 447 C4' DG B 15 2.924 -8.836 -7.739 1.00 0.00 C ATOM 448 O4' DG B 15 3.082 -8.852 -6.331 1.00 0.00 O ATOM 449 C3' DG B 15 2.555 -10.273 -8.150 1.00 0.00 C ATOM 450 O3' DG B 15 3.704 -11.099 -8.110 1.00 0.00 O ATOM 451 C2' DG B 15 1.571 -10.499 -7.027 1.00 0.00 C ATOM 452 C1' DG B 15 2.371 -9.967 -5.834 1.00 0.00 C ATOM 453 N9 DG B 15 1.505 -9.641 -4.688 1.00 0.00 N ATOM 454 C8 DG B 15 0.150 -9.510 -4.694 1.00 0.00 C ATOM 455 N7 DG B 15 -0.389 -9.328 -3.525 1.00 0.00 N ATOM 456 C5 DG B 15 0.707 -9.327 -2.664 1.00 0.00 C ATOM 457 C6 DG B 15 0.770 -9.200 -1.244 1.00 0.00 C ATOM 458 O6 DG B 15 -0.157 -9.047 -0.455 1.00 0.00 O ATOM 459 N1 DG B 15 2.067 -9.267 -0.759 1.00 0.00 N ATOM 460 C2 DG B 15 3.173 -9.500 -1.539 1.00 0.00 C ATOM 461 N2 DG B 15 4.358 -9.595 -0.951 1.00 0.00 N ATOM 462 N3 DG B 15 3.122 -9.674 -2.862 1.00 0.00 N ATOM 463 C4 DG B 15 1.868 -9.544 -3.366 1.00 0.00 C ATOM 0 H5' DG B 15 1.214 -7.636 -7.192 1.00 0.00 H new ATOM 0 H5'' DG B 15 2.392 -6.788 -8.174 1.00 0.00 H new ATOM 0 H4' DG B 15 3.809 -8.577 -8.320 1.00 0.00 H new ATOM 0 H3' DG B 15 2.170 -10.466 -9.151 1.00 0.00 H new ATOM 0 H2' DG B 15 0.640 -9.953 -7.177 1.00 0.00 H new ATOM 0 H2'' DG B 15 1.309 -11.551 -6.913 1.00 0.00 H new ATOM 0 H1' DG B 15 3.056 -10.716 -5.436 1.00 0.00 H new ATOM 0 H8 DG B 15 -0.433 -9.554 -5.602 1.00 0.00 H new ATOM 0 H1 DG B 15 2.209 -9.135 0.242 1.00 0.00 H new ATOM 0 H21 DG B 15 5.193 -9.768 -1.511 1.00 0.00 H new ATOM 0 H22 DG B 15 4.434 -9.495 0.061 1.00 0.00 H new ATOM 475 P DC B 16 3.644 -12.692 -8.374 1.00 0.00 P ATOM 476 OP1 DC B 16 4.683 -13.031 -9.369 1.00 0.00 O ATOM 477 OP2 DC B 16 2.236 -13.071 -8.622 1.00 0.00 O ATOM 478 O5' DC B 16 4.083 -13.287 -6.942 1.00 0.00 O ATOM 479 C5' DC B 16 5.408 -13.114 -6.482 1.00 0.00 C ATOM 480 C4' DC B 16 5.543 -13.469 -5.003 1.00 0.00 C ATOM 481 O4' DC B 16 4.743 -12.585 -4.254 1.00 0.00 O ATOM 482 C3' DC B 16 5.064 -14.867 -4.621 1.00 0.00 C ATOM 483 O3' DC B 16 6.052 -15.847 -4.855 1.00 0.00 O ATOM 484 C2' DC B 16 4.789 -14.676 -3.134 1.00 0.00 C ATOM 485 C1' DC B 16 4.477 -13.178 -2.997 1.00 0.00 C ATOM 486 N1 DC B 16 3.055 -12.943 -2.636 1.00 0.00 N ATOM 487 C2 DC B 16 2.737 -12.757 -1.294 1.00 0.00 C ATOM 488 O2 DC B 16 3.599 -12.805 -0.421 1.00 0.00 O ATOM 489 N3 DC B 16 1.446 -12.516 -0.942 1.00 0.00 N ATOM 490 C4 DC B 16 0.487 -12.492 -1.872 1.00 0.00 C ATOM 491 N4 DC B 16 -0.743 -12.184 -1.485 1.00 0.00 N ATOM 492 C5 DC B 16 0.778 -12.685 -3.261 1.00 0.00 C ATOM 493 C6 DC B 16 2.074 -12.899 -3.594 1.00 0.00 C ATOM 0 H5' DC B 16 5.715 -12.080 -6.638 1.00 0.00 H new ATOM 0 H5'' DC B 16 6.082 -13.738 -7.069 1.00 0.00 H new ATOM 0 H4' DC B 16 6.612 -13.408 -4.798 1.00 0.00 H new ATOM 0 H3' DC B 16 4.209 -15.223 -5.195 1.00 0.00 H new ATOM 0 H2' DC B 16 3.951 -15.289 -2.802 1.00 0.00 H new ATOM 0 H2'' DC B 16 5.651 -14.960 -2.530 1.00 0.00 H new ATOM 0 HO3' DC B 16 5.707 -16.727 -4.596 1.00 0.00 H new ATOM 0 H1' DC B 16 5.088 -12.748 -2.204 1.00 0.00 H new ATOM 0 H41 DC B 16 -1.500 -12.156 -2.168 1.00 0.00 H new ATOM 0 H42 DC B 16 -0.932 -11.975 -0.505 1.00 0.00 H new ATOM 0 H5 DC B 16 -0.000 -12.661 -4.009 1.00 0.00 H new ATOM 0 H6 DC B 16 2.339 -13.037 -4.632 1.00 0.00 H new TER 506 DC B 16 HETATM 507 O1 PSO B 1 -1.425 0.219 -1.557 1.00 0.00 O HETATM 508 C2 PSO B 1 -2.677 0.135 -1.483 1.00 0.00 C HETATM 509 C3 PSO B 1 -3.437 -0.071 -0.183 1.00 0.00 C HETATM 510 C4 PSO B 1 -2.616 0.032 1.065 1.00 0.00 C HETATM 511 C5 PSO B 1 -0.387 0.286 1.906 1.00 0.00 C HETATM 512 C6 PSO B 1 1.001 0.430 1.707 1.00 0.00 C HETATM 513 C7 PSO B 1 1.509 0.451 0.459 1.00 0.00 C HETATM 514 C8 PSO B 1 0.665 0.202 -0.629 1.00 0.00 C HETATM 515 C9 PSO B 1 -0.740 0.239 -0.483 1.00 0.00 C HETATM 516 C10 PSO B 1 -1.253 0.207 0.808 1.00 0.00 C HETATM 517 C4' PSO B 1 2.097 0.052 2.649 1.00 0.00 C HETATM 518 C5' PSO B 1 3.283 0.292 1.725 1.00 0.00 C HETATM 519 O6' PSO B 1 2.770 0.459 0.392 1.00 0.00 O HETATM 520 O11 PSO B 1 -3.318 0.225 -2.524 1.00 0.00 O HETATM 521 C12 PSO B 1 -2.901 -1.058 2.112 1.00 0.00 C HETATM 522 C13 PSO B 1 2.075 0.791 3.998 1.00 0.00 C HETATM 523 O14 PSO B 1 1.707 2.151 3.943 1.00 0.00 O HETATM 524 C15 PSO B 1 4.068 1.457 2.308 1.00 0.00 C HETATM 525 C16 PSO B 1 1.300 -0.119 -1.952 1.00 0.00 C HETATM 0 H163 PSO B 1 1.929 0.714 -2.265 1.00 0.00 H new HETATM 0 H162 PSO B 1 1.910 -1.017 -1.854 1.00 0.00 H new HETATM 0 H161 PSO B 1 0.523 -0.287 -2.697 1.00 0.00 H new HETATM 0 H153 PSO B 1 3.430 2.339 2.354 1.00 0.00 H new HETATM 0 H152 PSO B 1 4.406 1.201 3.312 1.00 0.00 H new HETATM 0 H151 PSO B 1 4.931 1.666 1.676 1.00 0.00 H new HETATM 0 H132 PSO B 1 1.385 0.273 4.664 1.00 0.00 H new HETATM 0 H131 PSO B 1 3.066 0.719 4.447 1.00 0.00 H new HETATM 0 H123 PSO B 1 -3.946 -1.005 2.417 1.00 0.00 H new HETATM 0 H122 PSO B 1 -2.698 -2.038 1.681 1.00 0.00 H new HETATM 0 H121 PSO B 1 -2.261 -0.904 2.981 1.00 0.00 H new HETATM 0 H5 PSO B 1 -0.788 0.236 2.918 1.00 0.00 H new HETATM 0 H14 PSO B 1 1.721 2.531 4.846 1.00 0.00 H new