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 -37:sc= 0.0354 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= -0.671 USER MOD Single : B 9 DG O5' : rot -33:sc= 0.0184 USER MOD Single : B 12 DT C7 :methyl 150:sc= -1.7 (180deg=-1.7) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -1.344 -11.990 9.444 1.00 0.00 O ATOM 2 C5' DG A 1 -1.064 -10.608 9.429 1.00 0.00 C ATOM 3 C4' DG A 1 0.407 -10.410 9.051 1.00 0.00 C ATOM 4 O4' DG A 1 0.653 -11.019 7.790 1.00 0.00 O ATOM 5 C3' DG A 1 0.759 -8.927 8.912 1.00 0.00 C ATOM 6 O3' DG A 1 2.128 -8.769 9.235 1.00 0.00 O ATOM 7 C2' DG A 1 0.439 -8.696 7.438 1.00 0.00 C ATOM 8 C1' DG A 1 0.828 -10.028 6.788 1.00 0.00 C ATOM 9 N9 DG A 1 -0.015 -10.357 5.612 1.00 0.00 N ATOM 10 C8 DG A 1 -1.385 -10.358 5.536 1.00 0.00 C ATOM 11 N7 DG A 1 -1.863 -10.740 4.388 1.00 0.00 N ATOM 12 C5 DG A 1 -0.728 -11.038 3.644 1.00 0.00 C ATOM 13 C6 DG A 1 -0.615 -11.521 2.308 1.00 0.00 C ATOM 14 O6 DG A 1 -1.521 -11.773 1.518 1.00 0.00 O ATOM 15 N1 DG A 1 0.697 -11.709 1.909 1.00 0.00 N ATOM 16 C2 DG A 1 1.786 -11.458 2.707 1.00 0.00 C ATOM 17 N2 DG A 1 2.992 -11.694 2.197 1.00 0.00 N ATOM 18 N3 DG A 1 1.697 -10.999 3.965 1.00 0.00 N ATOM 19 C4 DG A 1 0.412 -10.813 4.379 1.00 0.00 C ATOM 0 H5' DG A 1 -1.265 -10.171 10.407 1.00 0.00 H new ATOM 0 H5'' DG A 1 -1.710 -10.099 8.714 1.00 0.00 H new ATOM 0 H4' DG A 1 1.010 -10.855 9.842 1.00 0.00 H new ATOM 0 H3' DG A 1 0.233 -8.223 9.557 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.615 -8.465 7.285 1.00 0.00 H new ATOM 0 H2'' DG A 1 1.010 -7.864 7.027 1.00 0.00 H new ATOM 0 HO5' DG A 1 -0.853 -12.431 8.720 1.00 0.00 H new ATOM 0 H1' DG A 1 1.853 -9.973 6.422 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.016 -10.065 6.362 1.00 0.00 H new ATOM 0 H1 DG A 1 0.865 -12.055 0.964 1.00 0.00 H new ATOM 0 H21 DG A 1 3.826 -11.520 2.758 1.00 0.00 H new ATOM 0 H22 DG A 1 3.083 -12.049 1.245 1.00 0.00 H new ATOM 32 P DC A 2 2.891 -7.350 9.165 1.00 0.00 P ATOM 33 OP1 DC A 2 3.803 -7.259 10.326 1.00 0.00 O ATOM 34 OP2 DC A 2 1.891 -6.286 8.927 1.00 0.00 O ATOM 35 O5' DC A 2 3.780 -7.534 7.837 1.00 0.00 O ATOM 36 C5' DC A 2 4.773 -8.537 7.788 1.00 0.00 C ATOM 37 C4' DC A 2 5.410 -8.614 6.401 1.00 0.00 C ATOM 38 O4' DC A 2 4.431 -8.886 5.426 1.00 0.00 O ATOM 39 C3' DC A 2 6.118 -7.322 5.980 1.00 0.00 C ATOM 40 O3' DC A 2 7.401 -7.754 5.563 1.00 0.00 O ATOM 41 C2' DC A 2 5.229 -6.749 4.868 1.00 0.00 C ATOM 42 C1' DC A 2 4.621 -8.027 4.317 1.00 0.00 C ATOM 43 N1 DC A 2 3.287 -7.828 3.704 1.00 0.00 N ATOM 44 C2 DC A 2 3.067 -8.326 2.431 1.00 0.00 C ATOM 45 O2 DC A 2 4.010 -8.670 1.727 1.00 0.00 O ATOM 46 N3 DC A 2 1.796 -8.436 1.960 1.00 0.00 N ATOM 47 C4 DC A 2 0.770 -8.012 2.704 1.00 0.00 C ATOM 48 N4 DC A 2 -0.453 -8.234 2.240 1.00 0.00 N ATOM 49 C5 DC A 2 0.958 -7.485 4.023 1.00 0.00 C ATOM 50 C6 DC A 2 2.234 -7.412 4.473 1.00 0.00 C ATOM 0 H5' DC A 2 4.333 -9.501 8.044 1.00 0.00 H new ATOM 0 H5'' DC A 2 5.541 -8.329 8.533 1.00 0.00 H new ATOM 0 H4' DC A 2 6.150 -9.411 6.469 1.00 0.00 H new ATOM 0 H3' DC A 2 6.255 -6.542 6.729 1.00 0.00 H new ATOM 0 H2' DC A 2 4.474 -6.063 5.252 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.802 -6.205 4.117 1.00 0.00 H new ATOM 0 H1' DC A 2 5.288 -8.415 3.547 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.265 -7.927 2.775 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.581 -8.711 1.348 1.00 0.00 H new ATOM 0 H5 DC A 2 0.124 -7.162 4.629 1.00 0.00 H new ATOM 0 H6 DC A 2 2.424 -7.017 5.460 1.00 0.00 H new ATOM 62 P DG A 3 8.646 -6.762 5.403 1.00 0.00 P ATOM 63 OP1 DG A 3 9.856 -7.572 5.148 1.00 0.00 O ATOM 64 OP2 DG A 3 8.617 -5.799 6.524 1.00 0.00 O ATOM 65 O5' DG A 3 8.232 -6.012 4.057 1.00 0.00 O ATOM 66 C5' DG A 3 8.321 -6.630 2.792 1.00 0.00 C ATOM 67 C4' DG A 3 7.763 -5.664 1.743 1.00 0.00 C ATOM 68 O4' DG A 3 6.443 -5.910 1.343 1.00 0.00 O ATOM 69 C3' DG A 3 7.841 -4.196 2.151 1.00 0.00 C ATOM 70 O3' DG A 3 8.673 -3.598 1.197 1.00 0.00 O ATOM 71 C2' DG A 3 6.368 -3.859 2.223 1.00 0.00 C ATOM 72 C1' DG A 3 5.846 -4.661 1.049 1.00 0.00 C ATOM 73 N9 DG A 3 4.416 -4.919 1.029 1.00 0.00 N ATOM 74 C8 DG A 3 3.594 -4.744 2.074 1.00 0.00 C ATOM 75 N7 DG A 3 2.384 -5.189 1.913 1.00 0.00 N ATOM 76 C5 DG A 3 2.412 -5.656 0.599 1.00 0.00 C ATOM 77 C6 DG A 3 1.369 -6.174 -0.217 1.00 0.00 C ATOM 78 O6 DG A 3 0.226 -6.472 0.111 1.00 0.00 O ATOM 79 N1 DG A 3 1.755 -6.337 -1.534 1.00 0.00 N ATOM 80 C2 DG A 3 3.040 -6.192 -1.992 1.00 0.00 C ATOM 81 N2 DG A 3 3.270 -6.423 -3.279 1.00 0.00 N ATOM 82 N3 DG A 3 4.053 -5.784 -1.223 1.00 0.00 N ATOM 83 C4 DG A 3 3.659 -5.496 0.046 1.00 0.00 C ATOM 0 H5' DG A 3 7.758 -7.564 2.785 1.00 0.00 H new ATOM 0 H5'' DG A 3 9.357 -6.881 2.564 1.00 0.00 H new ATOM 0 H4' DG A 3 8.427 -5.861 0.902 1.00 0.00 H new ATOM 0 H3' DG A 3 8.289 -3.871 3.090 1.00 0.00 H new ATOM 0 H2' DG A 3 5.918 -4.165 3.167 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.181 -2.791 2.112 1.00 0.00 H new ATOM 0 H1' DG A 3 6.057 -4.147 0.111 1.00 0.00 H new ATOM 0 H8 DG A 3 3.916 -4.266 2.987 1.00 0.00 H new ATOM 0 H1 DG A 3 1.034 -6.582 -2.213 1.00 0.00 H new ATOM 0 H21 DG A 3 4.213 -6.325 -3.654 1.00 0.00 H new ATOM 0 H22 DG A 3 2.503 -6.699 -3.893 1.00 0.00 H new ATOM 95 P DT A 4 10.137 -3.087 1.621 1.00 0.00 P ATOM 96 OP1 DT A 4 10.908 -2.819 0.388 1.00 0.00 O ATOM 97 OP2 DT A 4 10.668 -4.018 2.641 1.00 0.00 O ATOM 98 O5' DT A 4 9.751 -1.677 2.318 1.00 0.00 O ATOM 99 C5' DT A 4 8.520 -0.998 2.072 1.00 0.00 C ATOM 100 C4' DT A 4 8.070 -1.026 0.591 1.00 0.00 C ATOM 101 O4' DT A 4 6.936 -1.856 0.256 1.00 0.00 O ATOM 102 C3' DT A 4 7.666 0.344 0.074 1.00 0.00 C ATOM 103 O3' DT A 4 7.950 0.253 -1.308 1.00 0.00 O ATOM 104 C2' DT A 4 6.248 0.162 0.464 1.00 0.00 C ATOM 105 C1' DT A 4 5.750 -1.113 -0.035 1.00 0.00 C ATOM 106 N1 DT A 4 4.509 -1.505 0.737 1.00 0.00 N ATOM 107 C2 DT A 4 3.493 -2.166 0.056 1.00 0.00 C ATOM 108 O2 DT A 4 3.628 -2.524 -1.108 1.00 0.00 O ATOM 109 N3 DT A 4 2.312 -2.420 0.721 1.00 0.00 N ATOM 110 C4 DT A 4 1.978 -2.076 2.010 1.00 0.00 C ATOM 111 O4 DT A 4 0.951 -2.521 2.515 1.00 0.00 O ATOM 112 C5 DT A 4 2.903 -1.135 2.792 1.00 0.00 C ATOM 113 C7 DT A 4 3.170 -1.596 4.230 1.00 0.00 C ATOM 114 C6 DT A 4 4.199 -0.790 2.038 1.00 0.00 C ATOM 0 H5' DT A 4 8.619 0.039 2.391 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.740 -1.447 2.687 1.00 0.00 H new ATOM 0 H4' DT A 4 8.971 -1.436 0.135 1.00 0.00 H new ATOM 0 H3' DT A 4 8.093 1.293 0.400 1.00 0.00 H new ATOM 0 H2' DT A 4 6.154 0.198 1.549 1.00 0.00 H new ATOM 0 H2'' DT A 4 5.646 0.978 0.065 1.00 0.00 H new ATOM 0 H1' DT A 4 5.407 -1.207 -1.065 1.00 0.00 H new ATOM 0 H3 DT A 4 1.600 -2.924 0.193 1.00 0.00 H new ATOM 0 H71 DT A 4 4.159 -1.261 4.542 1.00 0.00 H new ATOM 0 H72 DT A 4 2.417 -1.171 4.894 1.00 0.00 H new ATOM 0 H73 DT A 4 3.124 -2.684 4.278 1.00 0.00 H new ATOM 0 H6 DT A 4 4.879 -0.048 2.430 1.00 0.00 H new ATOM 127 P DA A 5 9.467 0.186 -1.868 1.00 0.00 P ATOM 128 OP1 DA A 5 9.621 -1.053 -2.659 1.00 0.00 O ATOM 129 OP2 DA A 5 10.375 0.468 -0.733 1.00 0.00 O ATOM 130 O5' DA A 5 9.474 1.433 -2.828 1.00 0.00 O ATOM 131 C5' DA A 5 8.663 2.525 -2.511 1.00 0.00 C ATOM 132 C4' DA A 5 7.283 2.359 -3.160 1.00 0.00 C ATOM 133 O4' DA A 5 6.257 1.908 -2.278 1.00 0.00 O ATOM 134 C3' DA A 5 6.922 3.744 -3.647 1.00 0.00 C ATOM 135 O3' DA A 5 7.005 3.984 -5.051 1.00 0.00 O ATOM 136 C2' DA A 5 5.555 3.865 -3.079 1.00 0.00 C ATOM 137 C1' DA A 5 5.042 2.587 -2.523 1.00 0.00 C ATOM 138 N9 DA A 5 4.362 2.907 -1.235 1.00 0.00 N ATOM 139 C8 DA A 5 5.004 3.519 -0.191 1.00 0.00 C ATOM 140 N7 DA A 5 4.247 4.121 0.672 1.00 0.00 N ATOM 141 C5 DA A 5 2.981 3.792 0.215 1.00 0.00 C ATOM 142 C6 DA A 5 1.694 4.025 0.722 1.00 0.00 C ATOM 143 N6 DA A 5 1.472 4.488 1.946 1.00 0.00 N ATOM 144 N1 DA A 5 0.649 3.790 -0.072 1.00 0.00 N ATOM 145 C2 DA A 5 0.879 3.290 -1.275 1.00 0.00 C ATOM 146 N3 DA A 5 2.018 2.962 -1.856 1.00 0.00 N ATOM 147 C4 DA A 5 3.047 3.217 -1.028 1.00 0.00 C ATOM 0 H5' DA A 5 9.129 3.447 -2.858 1.00 0.00 H new ATOM 0 H5'' DA A 5 8.558 2.609 -1.429 1.00 0.00 H new ATOM 0 H4' DA A 5 7.346 1.596 -3.936 1.00 0.00 H new ATOM 0 H3' DA A 5 7.634 4.505 -3.328 1.00 0.00 H new ATOM 0 H2' DA A 5 5.560 4.621 -2.293 1.00 0.00 H new ATOM 0 H2'' DA A 5 4.875 4.216 -3.855 1.00 0.00 H new ATOM 0 H1' DA A 5 4.340 2.030 -3.144 1.00 0.00 H new ATOM 0 H8 DA A 5 6.079 3.501 -0.093 1.00 0.00 H new ATOM 0 H61 DA A 5 0.516 4.641 2.268 1.00 0.00 H new ATOM 0 H62 DA A 5 2.257 4.691 2.565 1.00 0.00 H new ATOM 0 H2 DA A 5 -0.003 3.124 -1.876 1.00 0.00 H new ATOM 159 P DC A 6 6.115 3.226 -6.191 1.00 0.00 P ATOM 160 OP1 DC A 6 6.244 1.766 -6.005 1.00 0.00 O ATOM 161 OP2 DC A 6 6.486 3.818 -7.494 1.00 0.00 O ATOM 162 O5' DC A 6 4.580 3.624 -5.888 1.00 0.00 O ATOM 163 C5' DC A 6 4.094 4.918 -6.177 1.00 0.00 C ATOM 164 C4' DC A 6 2.621 5.056 -5.769 1.00 0.00 C ATOM 165 O4' DC A 6 2.443 4.889 -4.359 1.00 0.00 O ATOM 166 C3' DC A 6 2.143 6.476 -6.111 1.00 0.00 C ATOM 167 O3' DC A 6 0.856 6.438 -6.708 1.00 0.00 O ATOM 168 C2' DC A 6 2.117 7.072 -4.714 1.00 0.00 C ATOM 169 C1' DC A 6 1.562 5.912 -3.920 1.00 0.00 C ATOM 170 N1 DC A 6 1.626 6.257 -2.478 1.00 0.00 N ATOM 171 C2 DC A 6 0.454 6.565 -1.786 1.00 0.00 C ATOM 172 O2 DC A 6 -0.649 6.498 -2.324 1.00 0.00 O ATOM 173 N3 DC A 6 0.534 6.951 -0.481 1.00 0.00 N ATOM 174 C4 DC A 6 1.724 7.075 0.116 1.00 0.00 C ATOM 175 N4 DC A 6 1.763 7.405 1.398 1.00 0.00 N ATOM 176 C5 DC A 6 2.934 6.740 -0.568 1.00 0.00 C ATOM 177 C6 DC A 6 2.832 6.357 -1.848 1.00 0.00 C ATOM 0 H5' DC A 6 4.200 5.121 -7.243 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.692 5.661 -5.650 1.00 0.00 H new ATOM 0 H4' DC A 6 2.060 4.288 -6.301 1.00 0.00 H new ATOM 0 H3' DC A 6 2.751 7.030 -6.827 1.00 0.00 H new ATOM 0 H2' DC A 6 3.109 7.369 -4.373 1.00 0.00 H new ATOM 0 H2'' DC A 6 1.481 7.956 -4.654 1.00 0.00 H new ATOM 0 H1' DC A 6 0.519 5.629 -4.059 1.00 0.00 H new ATOM 0 H41 DC A 6 2.661 7.505 1.872 1.00 0.00 H new ATOM 0 H42 DC A 6 0.895 7.560 1.911 1.00 0.00 H new ATOM 0 H5 DC A 6 3.892 6.794 -0.073 1.00 0.00 H new ATOM 0 H6 DC A 6 3.731 6.120 -2.397 1.00 0.00 H new ATOM 189 P DG A 7 0.093 7.779 -7.197 1.00 0.00 P ATOM 190 OP1 DG A 7 -0.507 7.497 -8.519 1.00 0.00 O ATOM 191 OP2 DG A 7 1.026 8.917 -7.052 1.00 0.00 O ATOM 192 O5' DG A 7 -1.107 7.978 -6.129 1.00 0.00 O ATOM 193 C5' DG A 7 -2.234 7.122 -6.135 1.00 0.00 C ATOM 194 C4' DG A 7 -3.424 7.668 -5.333 1.00 0.00 C ATOM 195 O4' DG A 7 -3.071 7.800 -3.967 1.00 0.00 O ATOM 196 C3' DG A 7 -3.893 9.048 -5.814 1.00 0.00 C ATOM 197 O3' DG A 7 -5.302 9.126 -5.665 1.00 0.00 O ATOM 198 C2' DG A 7 -3.127 9.953 -4.868 1.00 0.00 C ATOM 199 C1' DG A 7 -3.207 9.153 -3.568 1.00 0.00 C ATOM 200 N9 DG A 7 -2.128 9.476 -2.615 1.00 0.00 N ATOM 201 C8 DG A 7 -0.787 9.573 -2.875 1.00 0.00 C ATOM 202 N7 DG A 7 -0.051 9.770 -1.819 1.00 0.00 N ATOM 203 C5 DG A 7 -0.968 9.740 -0.768 1.00 0.00 C ATOM 204 C6 DG A 7 -0.764 9.800 0.643 1.00 0.00 C ATOM 205 O6 DG A 7 0.274 10.039 1.251 1.00 0.00 O ATOM 206 N1 DG A 7 -1.919 9.548 1.369 1.00 0.00 N ATOM 207 C2 DG A 7 -3.163 9.422 0.810 1.00 0.00 C ATOM 208 N2 DG A 7 -4.191 9.207 1.624 1.00 0.00 N ATOM 209 N3 DG A 7 -3.384 9.443 -0.510 1.00 0.00 N ATOM 210 C4 DG A 7 -2.242 9.555 -1.244 1.00 0.00 C ATOM 0 H5' DG A 7 -1.946 6.153 -5.728 1.00 0.00 H new ATOM 0 H5'' DG A 7 -2.547 6.954 -7.165 1.00 0.00 H new ATOM 0 H4' DG A 7 -4.233 6.952 -5.477 1.00 0.00 H new ATOM 0 H3' DG A 7 -3.710 9.296 -6.859 1.00 0.00 H new ATOM 0 H2' DG A 7 -2.098 10.111 -5.192 1.00 0.00 H new ATOM 0 H2'' DG A 7 -3.587 10.937 -4.776 1.00 0.00 H new ATOM 0 H1' DG A 7 -4.140 9.378 -3.052 1.00 0.00 H new ATOM 0 H8 DG A 7 -0.375 9.493 -3.870 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.837 9.451 2.381 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.132 9.108 1.242 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.039 9.141 2.630 1.00 0.00 H new ATOM 222 P DC A 8 -6.164 10.393 -6.180 1.00 0.00 P ATOM 223 OP1 DC A 8 -7.367 9.879 -6.868 1.00 0.00 O ATOM 224 OP2 DC A 8 -5.252 11.315 -6.890 1.00 0.00 O ATOM 225 O5' DC A 8 -6.630 11.094 -4.807 1.00 0.00 O ATOM 226 C5' DC A 8 -7.718 10.579 -4.065 1.00 0.00 C ATOM 227 C4' DC A 8 -7.770 11.222 -2.678 1.00 0.00 C ATOM 228 O4' DC A 8 -6.575 10.937 -1.986 1.00 0.00 O ATOM 229 C3' DC A 8 -7.859 12.747 -2.679 1.00 0.00 C ATOM 230 O3' DC A 8 -9.180 13.216 -2.846 1.00 0.00 O ATOM 231 C2' DC A 8 -7.320 13.077 -1.292 1.00 0.00 C ATOM 232 C1' DC A 8 -6.438 11.873 -0.930 1.00 0.00 C ATOM 233 N1 DC A 8 -5.008 12.257 -0.789 1.00 0.00 N ATOM 234 C2 DC A 8 -4.484 12.437 0.486 1.00 0.00 C ATOM 235 O2 DC A 8 -5.203 12.377 1.479 1.00 0.00 O ATOM 236 N3 DC A 8 -3.151 12.683 0.635 1.00 0.00 N ATOM 237 C4 DC A 8 -2.368 12.800 -0.442 1.00 0.00 C ATOM 238 N4 DC A 8 -1.065 12.964 -0.250 1.00 0.00 N ATOM 239 C5 DC A 8 -2.885 12.665 -1.771 1.00 0.00 C ATOM 240 C6 DC A 8 -4.205 12.389 -1.889 1.00 0.00 C ATOM 0 H5' DC A 8 -7.621 9.498 -3.968 1.00 0.00 H new ATOM 0 H5'' DC A 8 -8.651 10.769 -4.596 1.00 0.00 H new ATOM 0 H4' DC A 8 -8.671 10.811 -2.222 1.00 0.00 H new ATOM 0 H3' DC A 8 -7.316 13.213 -3.501 1.00 0.00 H new ATOM 0 H2' DC A 8 -6.745 14.003 -1.299 1.00 0.00 H new ATOM 0 H2'' DC A 8 -8.128 13.209 -0.572 1.00 0.00 H new ATOM 0 HO3' DC A 8 -9.183 14.196 -2.838 1.00 0.00 H new ATOM 0 H1' DC A 8 -6.752 11.460 0.028 1.00 0.00 H new ATOM 0 H41 DC A 8 -0.439 13.057 -1.050 1.00 0.00 H new ATOM 0 H42 DC A 8 -0.689 12.997 0.698 1.00 0.00 H new ATOM 0 H5 DC A 8 -2.251 12.778 -2.638 1.00 0.00 H new ATOM 0 H6 DC A 8 -4.634 12.270 -2.873 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 9 -0.381 13.616 10.305 1.00 0.00 O ATOM 255 C5' DG B 9 -0.063 12.257 10.505 1.00 0.00 C ATOM 256 C4' DG B 9 -1.255 11.407 10.054 1.00 0.00 C ATOM 257 O4' DG B 9 -1.490 11.639 8.680 1.00 0.00 O ATOM 258 C3' DG B 9 -0.967 9.904 10.166 1.00 0.00 C ATOM 259 O3' DG B 9 -2.135 9.108 10.076 1.00 0.00 O ATOM 260 C2' DG B 9 -0.204 9.660 8.867 1.00 0.00 C ATOM 261 C1' DG B 9 -1.080 10.501 7.935 1.00 0.00 C ATOM 262 N9 DG B 9 -0.478 10.977 6.672 1.00 0.00 N ATOM 263 C8 DG B 9 0.824 11.265 6.351 1.00 0.00 C ATOM 264 N7 DG B 9 0.977 11.774 5.158 1.00 0.00 N ATOM 265 C5 DG B 9 -0.319 11.841 4.650 1.00 0.00 C ATOM 266 C6 DG B 9 -0.816 12.304 3.392 1.00 0.00 C ATOM 267 O6 DG B 9 -0.192 12.806 2.460 1.00 0.00 O ATOM 268 N1 DG B 9 -2.187 12.142 3.263 1.00 0.00 N ATOM 269 C2 DG B 9 -3.003 11.652 4.255 1.00 0.00 C ATOM 270 N2 DG B 9 -4.300 11.523 4.011 1.00 0.00 N ATOM 271 N3 DG B 9 -2.558 11.258 5.449 1.00 0.00 N ATOM 272 C4 DG B 9 -1.211 11.366 5.578 1.00 0.00 C ATOM 0 H5' DG B 9 0.159 12.071 11.556 1.00 0.00 H new ATOM 0 H5'' DG B 9 0.829 11.989 9.938 1.00 0.00 H new ATOM 0 H4' DG B 9 -2.096 11.681 10.691 1.00 0.00 H new ATOM 0 H3' DG B 9 -0.478 9.658 11.109 1.00 0.00 H new ATOM 0 H2' DG B 9 0.828 10.009 8.909 1.00 0.00 H new ATOM 0 H2'' DG B 9 -0.173 8.608 8.585 1.00 0.00 H new ATOM 0 HO5' DG B 9 -0.954 13.705 9.515 1.00 0.00 H new ATOM 0 H1' DG B 9 -1.881 9.836 7.612 1.00 0.00 H new ATOM 0 H8 DG B 9 1.649 11.087 7.025 1.00 0.00 H new ATOM 0 H1 DG B 9 -2.617 12.403 2.376 1.00 0.00 H new ATOM 0 H21 DG B 9 -4.922 11.161 4.734 1.00 0.00 H new ATOM 0 H22 DG B 9 -4.676 11.786 3.100 1.00 0.00 H new ATOM 285 P DC B 10 -3.435 9.328 11.005 1.00 0.00 P ATOM 286 OP1 DC B 10 -4.460 10.037 10.209 1.00 0.00 O ATOM 287 OP2 DC B 10 -2.972 9.913 12.282 1.00 0.00 O ATOM 288 O5' DC B 10 -3.955 7.836 11.307 1.00 0.00 O ATOM 289 C5' DC B 10 -3.768 6.762 10.405 1.00 0.00 C ATOM 290 C4' DC B 10 -4.584 6.872 9.102 1.00 0.00 C ATOM 291 O4' DC B 10 -4.032 7.819 8.175 1.00 0.00 O ATOM 292 C3' DC B 10 -4.548 5.499 8.408 1.00 0.00 C ATOM 293 O3' DC B 10 -5.798 5.273 7.807 1.00 0.00 O ATOM 294 C2' DC B 10 -3.418 5.783 7.430 1.00 0.00 C ATOM 295 C1' DC B 10 -3.791 7.168 6.932 1.00 0.00 C ATOM 296 N1 DC B 10 -2.690 7.733 6.098 1.00 0.00 N ATOM 297 C2 DC B 10 -2.916 8.271 4.827 1.00 0.00 C ATOM 298 O2 DC B 10 -4.054 8.428 4.386 1.00 0.00 O ATOM 299 N3 DC B 10 -1.841 8.632 4.051 1.00 0.00 N ATOM 300 C4 DC B 10 -0.593 8.397 4.487 1.00 0.00 C ATOM 301 N4 DC B 10 0.441 8.854 3.791 1.00 0.00 N ATOM 302 C5 DC B 10 -0.344 7.784 5.748 1.00 0.00 C ATOM 303 C6 DC B 10 -1.417 7.486 6.493 1.00 0.00 C ATOM 0 H5' DC B 10 -4.033 5.832 10.907 1.00 0.00 H new ATOM 0 H5'' DC B 10 -2.710 6.697 10.152 1.00 0.00 H new ATOM 0 H4' DC B 10 -5.589 7.198 9.371 1.00 0.00 H new ATOM 0 H3' DC B 10 -4.383 4.606 9.011 1.00 0.00 H new ATOM 0 H2' DC B 10 -2.442 5.771 7.916 1.00 0.00 H new ATOM 0 H2'' DC B 10 -3.381 5.052 6.622 1.00 0.00 H new ATOM 0 H1' DC B 10 -4.645 7.248 6.259 1.00 0.00 H new ATOM 0 H41 DC B 10 1.392 8.679 4.116 1.00 0.00 H new ATOM 0 H42 DC B 10 0.285 9.380 2.931 1.00 0.00 H new ATOM 0 H5 DC B 10 0.659 7.570 6.087 1.00 0.00 H new ATOM 0 H6 DC B 10 -1.260 7.026 7.457 1.00 0.00 H new ATOM 315 P DG B 11 -6.343 3.795 7.508 1.00 0.00 P ATOM 316 OP1 DG B 11 -7.481 3.527 8.412 1.00 0.00 O ATOM 317 OP2 DG B 11 -5.192 2.868 7.466 1.00 0.00 O ATOM 318 O5' DG B 11 -6.891 3.992 6.021 1.00 0.00 O ATOM 319 C5' DG B 11 -7.885 4.949 5.726 1.00 0.00 C ATOM 320 C4' DG B 11 -8.153 4.951 4.219 1.00 0.00 C ATOM 321 O4' DG B 11 -7.096 5.644 3.581 1.00 0.00 O ATOM 322 C3' DG B 11 -8.204 3.531 3.642 1.00 0.00 C ATOM 323 O3' DG B 11 -9.226 3.460 2.665 1.00 0.00 O ATOM 324 C2' DG B 11 -6.795 3.350 3.083 1.00 0.00 C ATOM 325 C1' DG B 11 -6.369 4.775 2.734 1.00 0.00 C ATOM 326 N9 DG B 11 -4.926 4.999 2.950 1.00 0.00 N ATOM 327 C8 DG B 11 -4.201 4.779 4.092 1.00 0.00 C ATOM 328 N7 DG B 11 -2.963 5.172 4.025 1.00 0.00 N ATOM 329 C5 DG B 11 -2.843 5.650 2.724 1.00 0.00 C ATOM 330 C6 DG B 11 -1.696 6.121 2.025 1.00 0.00 C ATOM 331 O6 DG B 11 -0.563 6.295 2.462 1.00 0.00 O ATOM 332 N1 DG B 11 -1.953 6.396 0.696 1.00 0.00 N ATOM 333 C2 DG B 11 -3.181 6.262 0.098 1.00 0.00 C ATOM 334 N2 DG B 11 -3.264 6.498 -1.205 1.00 0.00 N ATOM 335 N3 DG B 11 -4.269 5.820 0.740 1.00 0.00 N ATOM 336 C4 DG B 11 -4.031 5.526 2.048 1.00 0.00 C ATOM 0 H5' DG B 11 -7.562 5.938 6.051 1.00 0.00 H new ATOM 0 H5'' DG B 11 -8.801 4.718 6.270 1.00 0.00 H new ATOM 0 H4' DG B 11 -9.119 5.427 4.048 1.00 0.00 H new ATOM 0 H3' DG B 11 -8.449 2.741 4.352 1.00 0.00 H new ATOM 0 H2' DG B 11 -6.126 2.899 3.816 1.00 0.00 H new ATOM 0 H2'' DG B 11 -6.790 2.703 2.206 1.00 0.00 H new ATOM 0 H1' DG B 11 -6.569 4.956 1.678 1.00 0.00 H new ATOM 0 H8 DG B 11 -4.622 4.318 4.973 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.177 6.721 0.119 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.160 6.408 -1.683 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.431 6.769 -1.728 1.00 0.00 H new ATOM 348 P DT B 12 -9.680 2.061 2.000 1.00 0.00 P ATOM 349 OP1 DT B 12 -11.024 2.251 1.412 1.00 0.00 O ATOM 350 OP2 DT B 12 -9.458 0.985 2.990 1.00 0.00 O ATOM 351 O5' DT B 12 -8.627 1.885 0.799 1.00 0.00 O ATOM 352 C5' DT B 12 -8.672 2.745 -0.319 1.00 0.00 C ATOM 353 C4' DT B 12 -7.473 2.523 -1.241 1.00 0.00 C ATOM 354 O4' DT B 12 -6.248 2.813 -0.609 1.00 0.00 O ATOM 355 C3' DT B 12 -7.320 1.075 -1.741 1.00 0.00 C ATOM 356 O3' DT B 12 -8.007 0.823 -2.965 1.00 0.00 O ATOM 357 C2' DT B 12 -5.801 0.838 -1.748 1.00 0.00 C ATOM 358 C1' DT B 12 -5.247 2.223 -1.418 1.00 0.00 C ATOM 359 N1 DT B 12 -3.968 2.229 -0.681 1.00 0.00 N ATOM 360 C2 DT B 12 -2.965 3.155 -0.915 1.00 0.00 C ATOM 361 O2 DT B 12 -2.888 3.803 -1.953 1.00 0.00 O ATOM 362 N3 DT B 12 -2.039 3.316 0.094 1.00 0.00 N ATOM 363 C4 DT B 12 -2.013 2.663 1.301 1.00 0.00 C ATOM 364 O4 DT B 12 -1.313 3.088 2.216 1.00 0.00 O ATOM 365 C5 DT B 12 -2.864 1.404 1.484 1.00 0.00 C ATOM 366 C7 DT B 12 -3.751 1.412 2.728 1.00 0.00 C ATOM 367 C6 DT B 12 -3.789 1.164 0.311 1.00 0.00 C ATOM 0 H5' DT B 12 -8.687 3.782 0.018 1.00 0.00 H new ATOM 0 H5'' DT B 12 -9.595 2.576 -0.873 1.00 0.00 H new ATOM 0 H4' DT B 12 -7.684 3.196 -2.072 1.00 0.00 H new ATOM 0 H3' DT B 12 -7.808 0.344 -1.096 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.503 0.095 -1.008 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.451 0.481 -2.717 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.026 2.750 -2.346 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.294 3.992 -0.075 1.00 0.00 H new ATOM 0 H71 DT B 12 -4.649 0.823 2.539 1.00 0.00 H new ATOM 0 H72 DT B 12 -3.205 0.981 3.567 1.00 0.00 H new ATOM 0 H73 DT B 12 -4.033 2.437 2.967 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.309 0.223 0.206 1.00 0.00 H new ATOM 380 P DA B 13 -7.635 1.453 -4.423 1.00 0.00 P ATOM 381 OP1 DA B 13 -7.221 2.864 -4.273 1.00 0.00 O ATOM 382 OP2 DA B 13 -8.751 1.123 -5.335 1.00 0.00 O ATOM 383 O5' DA B 13 -6.351 0.616 -4.884 1.00 0.00 O ATOM 384 C5' DA B 13 -6.458 -0.762 -5.139 1.00 0.00 C ATOM 385 C4' DA B 13 -5.084 -1.323 -5.494 1.00 0.00 C ATOM 386 O4' DA B 13 -4.211 -1.339 -4.378 1.00 0.00 O ATOM 387 C3' DA B 13 -5.253 -2.769 -5.954 1.00 0.00 C ATOM 388 O3' DA B 13 -4.381 -3.081 -7.015 1.00 0.00 O ATOM 389 C2' DA B 13 -4.810 -3.496 -4.701 1.00 0.00 C ATOM 390 C1' DA B 13 -3.637 -2.626 -4.246 1.00 0.00 C ATOM 391 N9 DA B 13 -3.256 -2.877 -2.837 1.00 0.00 N ATOM 392 C8 DA B 13 -4.098 -2.812 -1.764 1.00 0.00 C ATOM 393 N7 DA B 13 -3.578 -3.243 -0.647 1.00 0.00 N ATOM 394 C5 DA B 13 -2.238 -3.434 -0.975 1.00 0.00 C ATOM 395 C6 DA B 13 -1.096 -3.707 -0.194 1.00 0.00 C ATOM 396 N6 DA B 13 -1.145 -4.031 1.096 1.00 0.00 N ATOM 397 N1 DA B 13 0.115 -3.509 -0.725 1.00 0.00 N ATOM 398 C2 DA B 13 0.201 -3.200 -2.009 1.00 0.00 C ATOM 399 N3 DA B 13 -0.785 -3.009 -2.888 1.00 0.00 N ATOM 400 C4 DA B 13 -2.006 -3.118 -2.292 1.00 0.00 C ATOM 0 H5' DA B 13 -7.157 -0.938 -5.957 1.00 0.00 H new ATOM 0 H5'' DA B 13 -6.857 -1.275 -4.264 1.00 0.00 H new ATOM 0 H4' DA B 13 -4.658 -0.686 -6.269 1.00 0.00 H new ATOM 0 H3' DA B 13 -6.251 -3.009 -6.320 1.00 0.00 H new ATOM 0 H2' DA B 13 -5.601 -3.543 -3.952 1.00 0.00 H new ATOM 0 H2'' DA B 13 -4.505 -4.522 -4.908 1.00 0.00 H new ATOM 0 H1' DA B 13 -2.719 -2.798 -4.808 1.00 0.00 H new ATOM 0 H8 DA B 13 -5.108 -2.436 -1.834 1.00 0.00 H new ATOM 0 H61 DA B 13 -0.283 -4.217 1.608 1.00 0.00 H new ATOM 0 H62 DA B 13 -2.045 -4.093 1.572 1.00 0.00 H new ATOM 0 H2 DA B 13 1.202 -3.087 -2.397 1.00 0.00 H new ATOM 412 P DC B 14 -4.747 -2.711 -8.534 1.00 0.00 P ATOM 413 OP1 DC B 14 -4.967 -1.251 -8.616 1.00 0.00 O ATOM 414 OP2 DC B 14 -5.815 -3.635 -8.973 1.00 0.00 O ATOM 415 O5' DC B 14 -3.393 -3.079 -9.316 1.00 0.00 O ATOM 416 C5' DC B 14 -2.920 -4.408 -9.375 1.00 0.00 C ATOM 417 C4' DC B 14 -1.653 -4.575 -8.526 1.00 0.00 C ATOM 418 O4' DC B 14 -1.900 -4.521 -7.116 1.00 0.00 O ATOM 419 C3' DC B 14 -1.039 -5.954 -8.815 1.00 0.00 C ATOM 420 O3' DC B 14 0.346 -5.773 -9.071 1.00 0.00 O ATOM 421 C2' DC B 14 -1.310 -6.647 -7.485 1.00 0.00 C ATOM 422 C1' DC B 14 -1.064 -5.503 -6.519 1.00 0.00 C ATOM 423 N1 DC B 14 -1.399 -5.885 -5.117 1.00 0.00 N ATOM 424 C2 DC B 14 -0.362 -6.067 -4.205 1.00 0.00 C ATOM 425 O2 DC B 14 0.818 -5.980 -4.543 1.00 0.00 O ATOM 426 N3 DC B 14 -0.658 -6.353 -2.909 1.00 0.00 N ATOM 427 C4 DC B 14 -1.918 -6.584 -2.536 1.00 0.00 C ATOM 428 N4 DC B 14 -2.169 -6.825 -1.257 1.00 0.00 N ATOM 429 C5 DC B 14 -2.994 -6.526 -3.471 1.00 0.00 C ATOM 430 C6 DC B 14 -2.681 -6.184 -4.741 1.00 0.00 C ATOM 0 H5' DC B 14 -2.708 -4.677 -10.410 1.00 0.00 H new ATOM 0 H5'' DC B 14 -3.693 -5.090 -9.020 1.00 0.00 H new ATOM 0 H4' DC B 14 -0.994 -3.749 -8.793 1.00 0.00 H new ATOM 0 H3' DC B 14 -1.426 -6.508 -9.670 1.00 0.00 H new ATOM 0 H2' DC B 14 -2.327 -7.033 -7.419 1.00 0.00 H new ATOM 0 H2'' DC B 14 -0.638 -7.487 -7.311 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.035 -5.166 -6.396 1.00 0.00 H new ATOM 0 H41 DC B 14 -3.125 -7.004 -0.950 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.406 -6.831 -0.580 1.00 0.00 H new ATOM 0 H5 DC B 14 -4.010 -6.745 -3.178 1.00 0.00 H new ATOM 0 H6 DC B 14 -3.466 -6.145 -5.481 1.00 0.00 H new ATOM 442 P DG B 15 1.216 -6.737 -10.039 1.00 0.00 P ATOM 443 OP1 DG B 15 2.399 -5.966 -10.473 1.00 0.00 O ATOM 444 OP2 DG B 15 0.308 -7.310 -11.056 1.00 0.00 O ATOM 445 O5' DG B 15 1.732 -7.938 -9.094 1.00 0.00 O ATOM 446 C5' DG B 15 2.312 -7.678 -7.832 1.00 0.00 C ATOM 447 C4' DG B 15 3.280 -8.787 -7.383 1.00 0.00 C ATOM 448 O4' DG B 15 3.197 -8.848 -5.973 1.00 0.00 O ATOM 449 C3' DG B 15 3.000 -10.221 -7.870 1.00 0.00 C ATOM 450 O3' DG B 15 4.141 -11.004 -7.515 1.00 0.00 O ATOM 451 C2' DG B 15 1.784 -10.422 -6.981 1.00 0.00 C ATOM 452 C1' DG B 15 2.402 -9.970 -5.656 1.00 0.00 C ATOM 453 N9 DG B 15 1.422 -9.670 -4.610 1.00 0.00 N ATOM 454 C8 DG B 15 0.087 -9.490 -4.749 1.00 0.00 C ATOM 455 N7 DG B 15 -0.558 -9.326 -3.628 1.00 0.00 N ATOM 456 C5 DG B 15 0.451 -9.389 -2.661 1.00 0.00 C ATOM 457 C6 DG B 15 0.410 -9.301 -1.233 1.00 0.00 C ATOM 458 O6 DG B 15 -0.563 -9.135 -0.499 1.00 0.00 O ATOM 459 N1 DG B 15 1.666 -9.427 -0.657 1.00 0.00 N ATOM 460 C2 DG B 15 2.816 -9.707 -1.353 1.00 0.00 C ATOM 461 N2 DG B 15 3.938 -9.948 -0.693 1.00 0.00 N ATOM 462 N3 DG B 15 2.860 -9.839 -2.676 1.00 0.00 N ATOM 463 C4 DG B 15 1.660 -9.630 -3.266 1.00 0.00 C ATOM 0 H5' DG B 15 1.522 -7.569 -7.089 1.00 0.00 H new ATOM 0 H5'' DG B 15 2.846 -6.729 -7.871 1.00 0.00 H new ATOM 0 H4' DG B 15 4.241 -8.507 -7.813 1.00 0.00 H new ATOM 0 H3' DG B 15 2.835 -10.451 -8.923 1.00 0.00 H new ATOM 0 H2' DG B 15 0.933 -9.811 -7.282 1.00 0.00 H new ATOM 0 H2'' DG B 15 1.442 -11.457 -6.958 1.00 0.00 H new ATOM 0 H1' DG B 15 2.988 -10.781 -5.223 1.00 0.00 H new ATOM 0 H8 DG B 15 -0.404 -9.483 -5.711 1.00 0.00 H new ATOM 0 H1 DG B 15 1.740 -9.303 0.353 1.00 0.00 H new ATOM 0 H21 DG B 15 4.796 -10.157 -1.204 1.00 0.00 H new ATOM 0 H22 DG B 15 3.945 -9.925 0.327 1.00 0.00 H new ATOM 475 P DC B 16 4.655 -12.327 -8.305 1.00 0.00 P ATOM 476 OP1 DC B 16 6.092 -12.482 -7.996 1.00 0.00 O ATOM 477 OP2 DC B 16 4.225 -12.208 -9.714 1.00 0.00 O ATOM 478 O5' DC B 16 3.895 -13.603 -7.652 1.00 0.00 O ATOM 479 C5' DC B 16 3.423 -13.593 -6.321 1.00 0.00 C ATOM 480 C4' DC B 16 4.470 -13.695 -5.208 1.00 0.00 C ATOM 481 O4' DC B 16 4.132 -12.686 -4.280 1.00 0.00 O ATOM 482 C3' DC B 16 4.443 -15.043 -4.461 1.00 0.00 C ATOM 483 O3' DC B 16 5.588 -15.820 -4.742 1.00 0.00 O ATOM 484 C2' DC B 16 4.411 -14.647 -2.993 1.00 0.00 C ATOM 485 C1' DC B 16 3.881 -13.215 -2.993 1.00 0.00 C ATOM 486 N1 DC B 16 2.454 -13.081 -2.558 1.00 0.00 N ATOM 487 C2 DC B 16 2.189 -12.913 -1.197 1.00 0.00 C ATOM 488 O2 DC B 16 3.080 -13.008 -0.354 1.00 0.00 O ATOM 489 N3 DC B 16 0.917 -12.635 -0.788 1.00 0.00 N ATOM 490 C4 DC B 16 -0.074 -12.534 -1.681 1.00 0.00 C ATOM 491 N4 DC B 16 -1.288 -12.208 -1.261 1.00 0.00 N ATOM 492 C5 DC B 16 0.165 -12.672 -3.080 1.00 0.00 C ATOM 493 C6 DC B 16 1.431 -12.941 -3.459 1.00 0.00 C ATOM 0 H5' DC B 16 2.724 -14.421 -6.204 1.00 0.00 H new ATOM 0 H5'' DC B 16 2.857 -12.674 -6.170 1.00 0.00 H new ATOM 0 H4' DC B 16 5.463 -13.596 -5.646 1.00 0.00 H new ATOM 0 H3' DC B 16 3.593 -15.658 -4.757 1.00 0.00 H new ATOM 0 H2' DC B 16 3.764 -15.309 -2.418 1.00 0.00 H new ATOM 0 H2'' DC B 16 5.403 -14.703 -2.545 1.00 0.00 H new ATOM 0 HO3' DC B 16 5.538 -16.666 -4.250 1.00 0.00 H new ATOM 0 H1' DC B 16 4.405 -12.634 -2.234 1.00 0.00 H new ATOM 0 H41 DC B 16 -2.054 -12.127 -1.929 1.00 0.00 H new ATOM 0 H42 DC B 16 -1.456 -12.038 -0.269 1.00 0.00 H new ATOM 0 H5 DC B 16 -0.631 -12.566 -3.802 1.00 0.00 H new ATOM 0 H6 DC B 16 1.647 -13.050 -4.512 1.00 0.00 H new TER 506 DC B 16 HETATM 507 O1 PSO B 1 -0.970 0.182 -1.524 1.00 0.00 O HETATM 508 C2 PSO B 1 -2.224 0.104 -1.463 1.00 0.00 C HETATM 509 C3 PSO B 1 -3.005 -0.041 -0.166 1.00 0.00 C HETATM 510 C4 PSO B 1 -2.191 0.077 1.079 1.00 0.00 C HETATM 511 C5 PSO B 1 0.003 0.411 1.954 1.00 0.00 C HETATM 512 C6 PSO B 1 1.378 0.630 1.772 1.00 0.00 C HETATM 513 C7 PSO B 1 1.903 0.632 0.529 1.00 0.00 C HETATM 514 C8 PSO B 1 1.098 0.319 -0.574 1.00 0.00 C HETATM 515 C9 PSO B 1 -0.303 0.256 -0.441 1.00 0.00 C HETATM 516 C10 PSO B 1 -0.830 0.239 0.842 1.00 0.00 C HETATM 517 C4' PSO B 1 2.474 0.351 2.750 1.00 0.00 C HETATM 518 C5' PSO B 1 3.649 0.629 1.830 1.00 0.00 C HETATM 519 O6' PSO B 1 3.152 0.733 0.489 1.00 0.00 O HETATM 520 O11 PSO B 1 -2.848 0.146 -2.515 1.00 0.00 O HETATM 521 C12 PSO B 1 -2.493 -1.028 2.102 1.00 0.00 C HETATM 522 C13 PSO B 1 2.402 1.140 4.065 1.00 0.00 C HETATM 523 O14 PSO B 1 2.013 2.489 3.940 1.00 0.00 O HETATM 524 C15 PSO B 1 4.385 1.849 2.386 1.00 0.00 C HETATM 525 C16 PSO B 1 1.735 0.037 -1.912 1.00 0.00 C HETATM 0 H163 PSO B 1 2.301 0.910 -2.237 1.00 0.00 H new HETATM 0 H162 PSO B 1 2.406 -0.818 -1.823 1.00 0.00 H new HETATM 0 H161 PSO B 1 0.959 -0.186 -2.645 1.00 0.00 H new HETATM 0 H153 PSO B 1 3.708 2.703 2.409 1.00 0.00 H new HETATM 0 H152 PSO B 1 4.733 1.634 3.396 1.00 0.00 H new HETATM 0 H151 PSO B 1 5.239 2.080 1.749 1.00 0.00 H new HETATM 0 H132 PSO B 1 1.702 0.638 4.732 1.00 0.00 H new HETATM 0 H131 PSO B 1 3.380 1.105 4.544 1.00 0.00 H new HETATM 0 H123 PSO B 1 -3.544 -0.981 2.389 1.00 0.00 H new HETATM 0 H122 PSO B 1 -2.281 -2.001 1.660 1.00 0.00 H new HETATM 0 H121 PSO B 1 -1.869 -0.887 2.985 1.00 0.00 H new HETATM 0 H5 PSO B 1 -0.415 0.375 2.960 1.00 0.00 H new HETATM 0 H14 PSO B 1 1.994 2.908 4.826 1.00 0.00 H new