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 -25:sc= 0.032 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.99! (180deg=-1.99!) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 PSO O14 : rot 180:sc= -0.432 USER MOD Single : B 9 DG O5' : rot -36:sc= 0.031 USER MOD Single : B 12 DT C7 :methyl 150:sc= -1.5 (180deg=-1.5) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -0.686 -12.297 9.596 1.00 0.00 O ATOM 2 C5' DG A 1 -0.398 -10.917 9.584 1.00 0.00 C ATOM 3 C4' DG A 1 1.046 -10.723 9.111 1.00 0.00 C ATOM 4 O4' DG A 1 1.183 -11.292 7.816 1.00 0.00 O ATOM 5 C3' DG A 1 1.408 -9.241 8.992 1.00 0.00 C ATOM 6 O3' DG A 1 2.802 -9.104 9.202 1.00 0.00 O ATOM 7 C2' DG A 1 0.985 -8.958 7.555 1.00 0.00 C ATOM 8 C1' DG A 1 1.355 -10.264 6.851 1.00 0.00 C ATOM 9 N9 DG A 1 0.508 -10.544 5.667 1.00 0.00 N ATOM 10 C8 DG A 1 -0.862 -10.563 5.586 1.00 0.00 C ATOM 11 N7 DG A 1 -1.327 -10.889 4.415 1.00 0.00 N ATOM 12 C5 DG A 1 -0.184 -11.129 3.659 1.00 0.00 C ATOM 13 C6 DG A 1 -0.046 -11.521 2.293 1.00 0.00 C ATOM 14 O6 DG A 1 -0.933 -11.729 1.467 1.00 0.00 O ATOM 15 N1 DG A 1 1.276 -11.671 1.909 1.00 0.00 N ATOM 16 C2 DG A 1 2.350 -11.443 2.735 1.00 0.00 C ATOM 17 N2 DG A 1 3.572 -11.611 2.242 1.00 0.00 N ATOM 18 N3 DG A 1 2.237 -11.055 4.011 1.00 0.00 N ATOM 19 C4 DG A 1 0.944 -10.923 4.416 1.00 0.00 C ATOM 0 H5' DG A 1 -0.530 -10.494 10.580 1.00 0.00 H new ATOM 0 H5'' DG A 1 -1.087 -10.393 8.922 1.00 0.00 H new ATOM 0 H4' DG A 1 1.701 -11.197 9.842 1.00 0.00 H new ATOM 0 H3' DG A 1 0.941 -8.560 9.703 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.080 -8.741 7.479 1.00 0.00 H new ATOM 0 H2'' DG A 1 1.515 -8.104 7.134 1.00 0.00 H new ATOM 0 HO5' DG A 1 -0.098 -12.759 8.963 1.00 0.00 H new ATOM 0 H1' DG A 1 2.377 -10.200 6.478 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.501 -10.327 6.424 1.00 0.00 H new ATOM 0 H1 DG A 1 1.464 -11.970 0.952 1.00 0.00 H new ATOM 0 H21 DG A 1 4.387 -11.449 2.833 1.00 0.00 H new ATOM 0 H22 DG A 1 3.695 -11.902 1.272 1.00 0.00 H new ATOM 32 P DC A 2 3.552 -7.676 9.180 1.00 0.00 P ATOM 33 OP1 DC A 2 4.522 -7.651 10.295 1.00 0.00 O ATOM 34 OP2 DC A 2 2.531 -6.611 9.070 1.00 0.00 O ATOM 35 O5' DC A 2 4.363 -7.738 7.791 1.00 0.00 O ATOM 36 C5' DC A 2 5.425 -8.656 7.625 1.00 0.00 C ATOM 37 C4' DC A 2 6.078 -8.499 6.250 1.00 0.00 C ATOM 38 O4' DC A 2 5.162 -8.839 5.230 1.00 0.00 O ATOM 39 C3' DC A 2 6.562 -7.070 5.984 1.00 0.00 C ATOM 40 O3' DC A 2 7.911 -7.200 5.578 1.00 0.00 O ATOM 41 C2' DC A 2 5.591 -6.549 4.909 1.00 0.00 C ATOM 42 C1' DC A 2 5.153 -7.840 4.226 1.00 0.00 C ATOM 43 N1 DC A 2 3.765 -7.806 3.690 1.00 0.00 N ATOM 44 C2 DC A 2 3.530 -8.266 2.398 1.00 0.00 C ATOM 45 O2 DC A 2 4.460 -8.540 1.645 1.00 0.00 O ATOM 46 N3 DC A 2 2.249 -8.418 1.957 1.00 0.00 N ATOM 47 C4 DC A 2 1.226 -8.097 2.759 1.00 0.00 C ATOM 48 N4 DC A 2 -0.006 -8.336 2.330 1.00 0.00 N ATOM 49 C5 DC A 2 1.427 -7.667 4.106 1.00 0.00 C ATOM 50 C6 DC A 2 2.707 -7.543 4.522 1.00 0.00 C ATOM 0 H5' DC A 2 5.052 -9.674 7.740 1.00 0.00 H new ATOM 0 H5'' DC A 2 6.170 -8.500 8.405 1.00 0.00 H new ATOM 0 H4' DC A 2 6.939 -9.167 6.247 1.00 0.00 H new ATOM 0 H3' DC A 2 6.555 -6.366 6.816 1.00 0.00 H new ATOM 0 H2' DC A 2 4.749 -6.012 5.346 1.00 0.00 H new ATOM 0 H2'' DC A 2 6.079 -5.865 4.215 1.00 0.00 H new ATOM 0 H1' DC A 2 5.826 -8.013 3.387 1.00 0.00 H new ATOM 0 H41 DC A 2 -0.805 -8.102 2.919 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.154 -8.754 1.411 1.00 0.00 H new ATOM 0 H5 DC A 2 0.596 -7.451 4.761 1.00 0.00 H new ATOM 0 H6 DC A 2 2.902 -7.228 5.537 1.00 0.00 H new ATOM 62 P DG A 3 8.890 -5.942 5.413 1.00 0.00 P ATOM 63 OP1 DG A 3 10.278 -6.441 5.328 1.00 0.00 O ATOM 64 OP2 DG A 3 8.526 -4.927 6.425 1.00 0.00 O ATOM 65 O5' DG A 3 8.432 -5.417 3.974 1.00 0.00 O ATOM 66 C5' DG A 3 8.688 -6.168 2.807 1.00 0.00 C ATOM 67 C4' DG A 3 8.037 -5.475 1.611 1.00 0.00 C ATOM 68 O4' DG A 3 6.699 -5.826 1.388 1.00 0.00 O ATOM 69 C3' DG A 3 8.061 -3.952 1.717 1.00 0.00 C ATOM 70 O3' DG A 3 8.438 -3.451 0.473 1.00 0.00 O ATOM 71 C2' DG A 3 6.611 -3.663 2.023 1.00 0.00 C ATOM 72 C1' DG A 3 6.010 -4.646 1.031 1.00 0.00 C ATOM 73 N9 DG A 3 4.604 -4.956 1.154 1.00 0.00 N ATOM 74 C8 DG A 3 3.869 -4.768 2.251 1.00 0.00 C ATOM 75 N7 DG A 3 2.628 -5.147 2.159 1.00 0.00 N ATOM 76 C5 DG A 3 2.548 -5.595 0.837 1.00 0.00 C ATOM 77 C6 DG A 3 1.432 -6.015 0.058 1.00 0.00 C ATOM 78 O6 DG A 3 0.277 -6.208 0.425 1.00 0.00 O ATOM 79 N1 DG A 3 1.759 -6.211 -1.273 1.00 0.00 N ATOM 80 C2 DG A 3 3.034 -6.159 -1.779 1.00 0.00 C ATOM 81 N2 DG A 3 3.225 -6.453 -3.059 1.00 0.00 N ATOM 82 N3 DG A 3 4.101 -5.832 -1.051 1.00 0.00 N ATOM 83 C4 DG A 3 3.777 -5.524 0.229 1.00 0.00 C ATOM 0 H5' DG A 3 8.293 -7.178 2.916 1.00 0.00 H new ATOM 0 H5'' DG A 3 9.762 -6.261 2.648 1.00 0.00 H new ATOM 0 H4' DG A 3 8.651 -5.826 0.782 1.00 0.00 H new ATOM 0 H3' DG A 3 8.742 -3.521 2.451 1.00 0.00 H new ATOM 0 H2' DG A 3 6.340 -3.877 3.057 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.329 -2.629 1.827 1.00 0.00 H new ATOM 0 H1' DG A 3 6.101 -4.236 0.025 1.00 0.00 H new ATOM 0 H8 DG A 3 4.275 -4.332 3.152 1.00 0.00 H new ATOM 0 H1 DG A 3 0.999 -6.408 -1.924 1.00 0.00 H new ATOM 0 H21 DG A 3 4.164 -6.420 -3.455 1.00 0.00 H new ATOM 0 H22 DG A 3 2.432 -6.711 -3.647 1.00 0.00 H new ATOM 95 P DT A 4 9.950 -3.455 -0.039 1.00 0.00 P ATOM 96 OP1 DT A 4 10.127 -4.592 -0.966 1.00 0.00 O ATOM 97 OP2 DT A 4 10.837 -3.293 1.133 1.00 0.00 O ATOM 98 O5' DT A 4 9.876 -2.083 -0.845 1.00 0.00 O ATOM 99 C5' DT A 4 8.742 -1.769 -1.628 1.00 0.00 C ATOM 100 C4' DT A 4 7.561 -1.145 -0.841 1.00 0.00 C ATOM 101 O4' DT A 4 6.450 -2.039 -0.720 1.00 0.00 O ATOM 102 C3' DT A 4 7.778 -0.647 0.619 1.00 0.00 C ATOM 103 O3' DT A 4 9.022 0.053 0.813 1.00 0.00 O ATOM 104 C2' DT A 4 6.266 -0.336 0.665 1.00 0.00 C ATOM 105 C1' DT A 4 5.414 -1.243 -0.184 1.00 0.00 C ATOM 106 N1 DT A 4 4.217 -1.807 0.579 1.00 0.00 N ATOM 107 C2 DT A 4 3.225 -2.456 -0.148 1.00 0.00 C ATOM 108 O2 DT A 4 3.418 -2.840 -1.296 1.00 0.00 O ATOM 109 N3 DT A 4 1.996 -2.670 0.448 1.00 0.00 N ATOM 110 C4 DT A 4 1.588 -2.334 1.719 1.00 0.00 C ATOM 111 O4 DT A 4 0.519 -2.753 2.155 1.00 0.00 O ATOM 112 C5 DT A 4 2.482 -1.436 2.569 1.00 0.00 C ATOM 113 C7 DT A 4 2.692 -1.943 3.998 1.00 0.00 C ATOM 114 C6 DT A 4 3.807 -1.122 1.872 1.00 0.00 C ATOM 0 H5' DT A 4 8.394 -2.678 -2.118 1.00 0.00 H new ATOM 0 H5'' DT A 4 9.042 -1.077 -2.415 1.00 0.00 H new ATOM 0 H4' DT A 4 7.407 -0.272 -1.475 1.00 0.00 H new ATOM 0 H3' DT A 4 8.089 -1.096 1.562 1.00 0.00 H new ATOM 0 H2' DT A 4 5.926 -0.402 1.698 1.00 0.00 H new ATOM 0 H2'' DT A 4 6.110 0.694 0.343 1.00 0.00 H new ATOM 0 H1' DT A 4 4.802 -0.850 -0.996 1.00 0.00 H new ATOM 0 H3 DT A 4 1.299 -3.139 -0.131 1.00 0.00 H new ATOM 0 H71 DT A 4 3.671 -1.624 4.357 1.00 0.00 H new ATOM 0 H72 DT A 4 1.917 -1.535 4.647 1.00 0.00 H new ATOM 0 H73 DT A 4 2.638 -3.032 4.009 1.00 0.00 H new ATOM 0 H6 DT A 4 4.471 -0.392 2.312 1.00 0.00 H new ATOM 127 P DA A 5 9.802 1.124 -0.157 1.00 0.00 P ATOM 128 OP1 DA A 5 11.032 0.467 -0.645 1.00 0.00 O ATOM 129 OP2 DA A 5 9.910 2.390 0.598 1.00 0.00 O ATOM 130 O5' DA A 5 8.870 1.413 -1.431 1.00 0.00 O ATOM 131 C5' DA A 5 7.715 2.191 -1.268 1.00 0.00 C ATOM 132 C4' DA A 5 6.680 1.907 -2.373 1.00 0.00 C ATOM 133 O4' DA A 5 5.384 1.645 -1.849 1.00 0.00 O ATOM 134 C3' DA A 5 6.604 3.066 -3.334 1.00 0.00 C ATOM 135 O3' DA A 5 6.386 2.697 -4.685 1.00 0.00 O ATOM 136 C2' DA A 5 5.435 3.746 -2.721 1.00 0.00 C ATOM 137 C1' DA A 5 4.516 2.713 -2.160 1.00 0.00 C ATOM 138 N9 DA A 5 3.906 3.249 -0.923 1.00 0.00 N ATOM 139 C8 DA A 5 4.546 3.834 0.135 1.00 0.00 C ATOM 140 N7 DA A 5 3.780 4.229 1.106 1.00 0.00 N ATOM 141 C5 DA A 5 2.517 3.910 0.627 1.00 0.00 C ATOM 142 C6 DA A 5 1.229 4.100 1.143 1.00 0.00 C ATOM 143 N6 DA A 5 1.019 4.499 2.390 1.00 0.00 N ATOM 144 N1 DA A 5 0.187 3.933 0.321 1.00 0.00 N ATOM 145 C2 DA A 5 0.425 3.497 -0.905 1.00 0.00 C ATOM 146 N3 DA A 5 1.563 3.194 -1.494 1.00 0.00 N ATOM 147 C4 DA A 5 2.585 3.421 -0.650 1.00 0.00 C ATOM 0 H5' DA A 5 7.982 3.248 -1.282 1.00 0.00 H new ATOM 0 H5'' DA A 5 7.273 1.987 -0.293 1.00 0.00 H new ATOM 0 H4' DA A 5 7.017 1.012 -2.895 1.00 0.00 H new ATOM 0 H3' DA A 5 7.518 3.652 -3.434 1.00 0.00 H new ATOM 0 H2' DA A 5 5.764 4.426 -1.935 1.00 0.00 H new ATOM 0 H2'' DA A 5 4.915 4.348 -3.466 1.00 0.00 H new ATOM 0 H1' DA A 5 3.709 2.420 -2.831 1.00 0.00 H new ATOM 0 H8 DA A 5 5.618 3.959 0.161 1.00 0.00 H new ATOM 0 H61 DA A 5 0.066 4.627 2.731 1.00 0.00 H new ATOM 0 H62 DA A 5 1.810 4.678 3.008 1.00 0.00 H new ATOM 0 H2 DA A 5 -0.453 3.369 -1.520 1.00 0.00 H new ATOM 159 P DC A 6 6.403 3.792 -5.879 1.00 0.00 P ATOM 160 OP1 DC A 6 6.299 3.064 -7.162 1.00 0.00 O ATOM 161 OP2 DC A 6 7.554 4.688 -5.638 1.00 0.00 O ATOM 162 O5' DC A 6 5.048 4.654 -5.672 1.00 0.00 O ATOM 163 C5' DC A 6 3.785 4.135 -6.036 1.00 0.00 C ATOM 164 C4' DC A 6 2.626 5.002 -5.518 1.00 0.00 C ATOM 165 O4' DC A 6 2.478 4.925 -4.105 1.00 0.00 O ATOM 166 C3' DC A 6 2.720 6.507 -5.856 1.00 0.00 C ATOM 167 O3' DC A 6 1.665 6.831 -6.749 1.00 0.00 O ATOM 168 C2' DC A 6 2.555 7.137 -4.469 1.00 0.00 C ATOM 169 C1' DC A 6 1.740 6.080 -3.750 1.00 0.00 C ATOM 170 N1 DC A 6 1.681 6.383 -2.297 1.00 0.00 N ATOM 171 C2 DC A 6 0.453 6.723 -1.719 1.00 0.00 C ATOM 172 O2 DC A 6 -0.598 6.704 -2.358 1.00 0.00 O ATOM 173 N3 DC A 6 0.406 7.087 -0.409 1.00 0.00 N ATOM 174 C4 DC A 6 1.534 7.175 0.297 1.00 0.00 C ATOM 175 N4 DC A 6 1.460 7.455 1.589 1.00 0.00 N ATOM 176 C5 DC A 6 2.792 6.802 -0.258 1.00 0.00 C ATOM 177 C6 DC A 6 2.826 6.406 -1.543 1.00 0.00 C ATOM 0 H5' DC A 6 3.683 3.124 -5.642 1.00 0.00 H new ATOM 0 H5'' DC A 6 3.724 4.062 -7.122 1.00 0.00 H new ATOM 0 H4' DC A 6 1.772 4.575 -6.044 1.00 0.00 H new ATOM 0 H3' DC A 6 3.632 6.842 -6.351 1.00 0.00 H new ATOM 0 H2' DC A 6 3.514 7.316 -3.983 1.00 0.00 H new ATOM 0 H2'' DC A 6 2.037 8.095 -4.513 1.00 0.00 H new ATOM 0 H1' DC A 6 0.686 5.992 -4.012 1.00 0.00 H new ATOM 0 H41 DC A 6 2.312 7.526 2.145 1.00 0.00 H new ATOM 0 H42 DC A 6 0.551 7.599 2.028 1.00 0.00 H new ATOM 0 H5 DC A 6 3.693 6.836 0.336 1.00 0.00 H new ATOM 0 H6 DC A 6 3.764 6.103 -1.985 1.00 0.00 H new ATOM 189 P DG A 7 1.300 8.346 -7.191 1.00 0.00 P ATOM 190 OP1 DG A 7 0.954 8.323 -8.629 1.00 0.00 O ATOM 191 OP2 DG A 7 2.370 9.247 -6.713 1.00 0.00 O ATOM 192 O5' DG A 7 -0.046 8.654 -6.343 1.00 0.00 O ATOM 193 C5' DG A 7 -1.239 7.954 -6.643 1.00 0.00 C ATOM 194 C4' DG A 7 -2.475 8.414 -5.859 1.00 0.00 C ATOM 195 O4' DG A 7 -2.211 8.342 -4.469 1.00 0.00 O ATOM 196 C3' DG A 7 -2.906 9.854 -6.168 1.00 0.00 C ATOM 197 O3' DG A 7 -4.323 9.920 -6.114 1.00 0.00 O ATOM 198 C2' DG A 7 -2.216 10.598 -5.044 1.00 0.00 C ATOM 199 C1' DG A 7 -2.419 9.617 -3.891 1.00 0.00 C ATOM 200 N9 DG A 7 -1.459 9.823 -2.794 1.00 0.00 N ATOM 201 C8 DG A 7 -0.101 9.964 -2.884 1.00 0.00 C ATOM 202 N7 DG A 7 0.498 10.099 -1.734 1.00 0.00 N ATOM 203 C5 DG A 7 -0.541 9.999 -0.806 1.00 0.00 C ATOM 204 C6 DG A 7 -0.526 10.021 0.622 1.00 0.00 C ATOM 205 O6 DG A 7 0.418 10.252 1.372 1.00 0.00 O ATOM 206 N1 DG A 7 -1.764 9.738 1.180 1.00 0.00 N ATOM 207 C2 DG A 7 -2.916 9.584 0.455 1.00 0.00 C ATOM 208 N2 DG A 7 -4.050 9.371 1.112 1.00 0.00 N ATOM 209 N3 DG A 7 -2.960 9.636 -0.878 1.00 0.00 N ATOM 210 C4 DG A 7 -1.737 9.804 -1.448 1.00 0.00 C ATOM 0 H5' DG A 7 -1.079 6.893 -6.450 1.00 0.00 H new ATOM 0 H5'' DG A 7 -1.444 8.056 -7.709 1.00 0.00 H new ATOM 0 H4' DG A 7 -3.282 7.747 -6.164 1.00 0.00 H new ATOM 0 H3' DG A 7 -2.645 10.254 -7.148 1.00 0.00 H new ATOM 0 H2' DG A 7 -1.162 10.779 -5.253 1.00 0.00 H new ATOM 0 H2'' DG A 7 -2.673 11.568 -4.848 1.00 0.00 H new ATOM 0 H1' DG A 7 -3.407 9.743 -3.448 1.00 0.00 H new ATOM 0 H8 DG A 7 0.428 9.963 -3.825 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.820 9.638 2.194 1.00 0.00 H new ATOM 0 H21 DG A 7 -4.923 9.253 0.598 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.048 9.326 2.131 1.00 0.00 H new ATOM 222 P DC A 8 -5.151 11.261 -6.470 1.00 0.00 P ATOM 223 OP1 DC A 8 -6.300 10.877 -7.318 1.00 0.00 O ATOM 224 OP2 DC A 8 -4.194 12.281 -6.950 1.00 0.00 O ATOM 225 O5' DC A 8 -5.705 11.733 -5.033 1.00 0.00 O ATOM 226 C5' DC A 8 -6.859 11.139 -4.469 1.00 0.00 C ATOM 227 C4' DC A 8 -7.039 11.598 -3.020 1.00 0.00 C ATOM 228 O4' DC A 8 -5.915 11.236 -2.247 1.00 0.00 O ATOM 229 C3' DC A 8 -7.144 13.111 -2.849 1.00 0.00 C ATOM 230 O3' DC A 8 -8.438 13.592 -3.140 1.00 0.00 O ATOM 231 C2' DC A 8 -6.797 13.260 -1.373 1.00 0.00 C ATOM 232 C1' DC A 8 -5.888 12.055 -1.087 1.00 0.00 C ATOM 233 N1 DC A 8 -4.492 12.479 -0.793 1.00 0.00 N ATOM 234 C2 DC A 8 -4.107 12.627 0.536 1.00 0.00 C ATOM 235 O2 DC A 8 -4.923 12.524 1.448 1.00 0.00 O ATOM 236 N3 DC A 8 -2.803 12.890 0.830 1.00 0.00 N ATOM 237 C4 DC A 8 -1.914 13.055 -0.156 1.00 0.00 C ATOM 238 N4 DC A 8 -0.640 13.227 0.172 1.00 0.00 N ATOM 239 C5 DC A 8 -2.288 12.963 -1.535 1.00 0.00 C ATOM 240 C6 DC A 8 -3.582 12.670 -1.800 1.00 0.00 C ATOM 0 H5' DC A 8 -6.772 10.053 -4.505 1.00 0.00 H new ATOM 0 H5'' DC A 8 -7.738 11.408 -5.055 1.00 0.00 H new ATOM 0 H4' DC A 8 -7.967 11.121 -2.705 1.00 0.00 H new ATOM 0 H3' DC A 8 -6.503 13.682 -3.521 1.00 0.00 H new ATOM 0 H2' DC A 8 -6.286 14.202 -1.175 1.00 0.00 H new ATOM 0 H2'' DC A 8 -7.690 13.245 -0.748 1.00 0.00 H new ATOM 0 HO3' DC A 8 -8.461 14.564 -3.016 1.00 0.00 H new ATOM 0 H1' DC A 8 -6.245 11.518 -0.208 1.00 0.00 H new ATOM 0 H41 DC A 8 0.062 13.355 -0.557 1.00 0.00 H new ATOM 0 H42 DC A 8 -0.362 13.231 1.153 1.00 0.00 H new ATOM 0 H5 DC A 8 -1.571 13.120 -2.327 1.00 0.00 H new ATOM 0 H6 DC A 8 -3.905 12.585 -2.827 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 9 0.021 13.297 10.088 1.00 0.00 O ATOM 255 C5' DG B 9 0.228 11.930 10.365 1.00 0.00 C ATOM 256 C4' DG B 9 -1.128 11.217 10.344 1.00 0.00 C ATOM 257 O4' DG B 9 -1.774 11.406 9.095 1.00 0.00 O ATOM 258 C3' DG B 9 -1.003 9.704 10.496 1.00 0.00 C ATOM 259 O3' DG B 9 -2.256 9.270 10.994 1.00 0.00 O ATOM 260 C2' DG B 9 -0.692 9.295 9.052 1.00 0.00 C ATOM 261 C1' DG B 9 -1.490 10.313 8.229 1.00 0.00 C ATOM 262 N9 DG B 9 -0.813 10.847 7.020 1.00 0.00 N ATOM 263 C8 DG B 9 0.521 11.081 6.784 1.00 0.00 C ATOM 264 N7 DG B 9 0.773 11.649 5.640 1.00 0.00 N ATOM 265 C5 DG B 9 -0.482 11.814 5.064 1.00 0.00 C ATOM 266 C6 DG B 9 -0.857 12.355 3.797 1.00 0.00 C ATOM 267 O6 DG B 9 -0.136 12.863 2.942 1.00 0.00 O ATOM 268 N1 DG B 9 -2.218 12.268 3.556 1.00 0.00 N ATOM 269 C2 DG B 9 -3.130 11.787 4.465 1.00 0.00 C ATOM 270 N2 DG B 9 -4.413 11.769 4.123 1.00 0.00 N ATOM 271 N3 DG B 9 -2.796 11.303 5.667 1.00 0.00 N ATOM 272 C4 DG B 9 -1.457 11.333 5.903 1.00 0.00 C ATOM 0 H5' DG B 9 0.704 11.809 11.338 1.00 0.00 H new ATOM 0 H5'' DG B 9 0.898 11.491 9.625 1.00 0.00 H new ATOM 0 H4' DG B 9 -1.684 11.644 11.178 1.00 0.00 H new ATOM 0 H3' DG B 9 -0.254 9.294 11.173 1.00 0.00 H new ATOM 0 H2' DG B 9 0.375 9.350 8.837 1.00 0.00 H new ATOM 0 H2'' DG B 9 -1.007 8.272 8.845 1.00 0.00 H new ATOM 0 HO5' DG B 9 -0.697 13.392 9.428 1.00 0.00 H new ATOM 0 H1' DG B 9 -2.369 9.788 7.854 1.00 0.00 H new ATOM 0 H8 DG B 9 1.295 10.816 7.489 1.00 0.00 H new ATOM 0 H1 DG B 9 -2.565 12.580 2.649 1.00 0.00 H new ATOM 0 H21 DG B 9 -5.111 11.417 4.779 1.00 0.00 H new ATOM 0 H22 DG B 9 -4.701 12.107 3.205 1.00 0.00 H new ATOM 285 P DC B 10 -2.649 7.726 11.182 1.00 0.00 P ATOM 286 OP1 DC B 10 -3.491 7.605 12.391 1.00 0.00 O ATOM 287 OP2 DC B 10 -1.423 6.908 11.050 1.00 0.00 O ATOM 288 O5' DC B 10 -3.565 7.488 9.883 1.00 0.00 O ATOM 289 C5' DC B 10 -4.841 8.088 9.771 1.00 0.00 C ATOM 290 C4' DC B 10 -5.480 7.752 8.418 1.00 0.00 C ATOM 291 O4' DC B 10 -4.769 8.406 7.371 1.00 0.00 O ATOM 292 C3' DC B 10 -5.454 6.241 8.136 1.00 0.00 C ATOM 293 O3' DC B 10 -6.676 5.895 7.536 1.00 0.00 O ATOM 294 C2' DC B 10 -4.246 6.179 7.207 1.00 0.00 C ATOM 295 C1' DC B 10 -4.398 7.455 6.388 1.00 0.00 C ATOM 296 N1 DC B 10 -3.147 7.840 5.683 1.00 0.00 N ATOM 297 C2 DC B 10 -3.183 8.476 4.444 1.00 0.00 C ATOM 298 O2 DC B 10 -4.248 8.703 3.873 1.00 0.00 O ATOM 299 N3 DC B 10 -2.006 8.857 3.852 1.00 0.00 N ATOM 300 C4 DC B 10 -0.836 8.558 4.439 1.00 0.00 C ATOM 301 N4 DC B 10 0.292 9.004 3.901 1.00 0.00 N ATOM 302 C5 DC B 10 -0.780 7.851 5.677 1.00 0.00 C ATOM 303 C6 DC B 10 -1.949 7.521 6.236 1.00 0.00 C ATOM 0 H5' DC B 10 -4.751 9.169 9.878 1.00 0.00 H new ATOM 0 H5'' DC B 10 -5.484 7.740 10.579 1.00 0.00 H new ATOM 0 H4' DC B 10 -6.515 8.090 8.458 1.00 0.00 H new ATOM 0 H3' DC B 10 -5.360 5.554 8.977 1.00 0.00 H new ATOM 0 H2' DC B 10 -3.308 6.161 7.761 1.00 0.00 H new ATOM 0 H2'' DC B 10 -4.262 5.288 6.579 1.00 0.00 H new ATOM 0 H1' DC B 10 -5.123 7.356 5.580 1.00 0.00 H new ATOM 0 H41 DC B 10 1.187 8.784 4.337 1.00 0.00 H new ATOM 0 H42 DC B 10 0.264 9.567 3.051 1.00 0.00 H new ATOM 0 H5 DC B 10 0.161 7.595 6.140 1.00 0.00 H new ATOM 0 H6 DC B 10 -1.940 6.977 7.169 1.00 0.00 H new ATOM 315 P DG B 11 -7.104 4.374 7.274 1.00 0.00 P ATOM 316 OP1 DG B 11 -8.338 4.099 8.041 1.00 0.00 O ATOM 317 OP2 DG B 11 -5.917 3.507 7.437 1.00 0.00 O ATOM 318 O5' DG B 11 -7.454 4.464 5.717 1.00 0.00 O ATOM 319 C5' DG B 11 -8.421 5.379 5.248 1.00 0.00 C ATOM 320 C4' DG B 11 -8.537 5.268 3.729 1.00 0.00 C ATOM 321 O4' DG B 11 -7.379 5.818 3.132 1.00 0.00 O ATOM 322 C3' DG B 11 -8.656 3.811 3.278 1.00 0.00 C ATOM 323 O3' DG B 11 -9.638 3.777 2.262 1.00 0.00 O ATOM 324 C2' DG B 11 -7.229 3.473 2.837 1.00 0.00 C ATOM 325 C1' DG B 11 -6.677 4.832 2.398 1.00 0.00 C ATOM 326 N9 DG B 11 -5.240 5.003 2.695 1.00 0.00 N ATOM 327 C8 DG B 11 -4.603 4.795 3.892 1.00 0.00 C ATOM 328 N7 DG B 11 -3.374 5.214 3.925 1.00 0.00 N ATOM 329 C5 DG B 11 -3.161 5.694 2.638 1.00 0.00 C ATOM 330 C6 DG B 11 -1.976 6.207 2.045 1.00 0.00 C ATOM 331 O6 DG B 11 -0.895 6.405 2.584 1.00 0.00 O ATOM 332 N1 DG B 11 -2.122 6.497 0.703 1.00 0.00 N ATOM 333 C2 DG B 11 -3.297 6.368 0.009 1.00 0.00 C ATOM 334 N2 DG B 11 -3.264 6.627 -1.293 1.00 0.00 N ATOM 335 N3 DG B 11 -4.427 5.894 0.554 1.00 0.00 N ATOM 336 C4 DG B 11 -4.290 5.565 1.870 1.00 0.00 C ATOM 0 H5' DG B 11 -8.141 6.395 5.528 1.00 0.00 H new ATOM 0 H5'' DG B 11 -9.386 5.174 5.712 1.00 0.00 H new ATOM 0 H4' DG B 11 -9.434 5.807 3.424 1.00 0.00 H new ATOM 0 H3' DG B 11 -8.982 3.078 4.016 1.00 0.00 H new ATOM 0 H2' DG B 11 -6.645 3.044 3.651 1.00 0.00 H new ATOM 0 H2'' DG B 11 -7.219 2.750 2.021 1.00 0.00 H new ATOM 0 H1' DG B 11 -6.802 4.913 1.318 1.00 0.00 H new ATOM 0 H8 DG B 11 -5.083 4.322 4.736 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.302 6.829 0.195 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.114 6.545 -1.851 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.389 6.908 -1.735 1.00 0.00 H new ATOM 348 P DT B 12 -10.219 2.400 1.674 1.00 0.00 P ATOM 349 OP1 DT B 12 -11.533 2.680 1.056 1.00 0.00 O ATOM 350 OP2 DT B 12 -10.098 1.358 2.716 1.00 0.00 O ATOM 351 O5' DT B 12 -9.156 2.098 0.518 1.00 0.00 O ATOM 352 C5' DT B 12 -9.123 2.880 -0.656 1.00 0.00 C ATOM 353 C4' DT B 12 -7.891 2.505 -1.479 1.00 0.00 C ATOM 354 O4' DT B 12 -6.695 2.864 -0.825 1.00 0.00 O ATOM 355 C3' DT B 12 -7.772 1.000 -1.716 1.00 0.00 C ATOM 356 O3' DT B 12 -8.522 0.676 -2.869 1.00 0.00 O ATOM 357 C2' DT B 12 -6.253 0.802 -1.815 1.00 0.00 C ATOM 358 C1' DT B 12 -5.666 2.189 -1.519 1.00 0.00 C ATOM 359 N1 DT B 12 -4.428 2.214 -0.704 1.00 0.00 N ATOM 360 C2 DT B 12 -3.449 3.184 -0.871 1.00 0.00 C ATOM 361 O2 DT B 12 -3.387 3.889 -1.872 1.00 0.00 O ATOM 362 N3 DT B 12 -2.533 3.325 0.155 1.00 0.00 N ATOM 363 C4 DT B 12 -2.492 2.606 1.323 1.00 0.00 C ATOM 364 O4 DT B 12 -1.802 2.983 2.264 1.00 0.00 O ATOM 365 C5 DT B 12 -3.318 1.331 1.434 1.00 0.00 C ATOM 366 C7 DT B 12 -4.247 1.317 2.653 1.00 0.00 C ATOM 367 C6 DT B 12 -4.227 1.108 0.244 1.00 0.00 C ATOM 0 H5' DT B 12 -9.095 3.939 -0.400 1.00 0.00 H new ATOM 0 H5'' DT B 12 -10.028 2.717 -1.241 1.00 0.00 H new ATOM 0 H4' DT B 12 -8.024 3.042 -2.418 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.175 0.338 -0.949 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.902 0.061 -1.097 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.962 0.451 -2.805 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.360 2.643 -2.461 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.813 4.037 0.031 1.00 0.00 H new ATOM 0 H71 DT B 12 -5.133 0.723 2.428 1.00 0.00 H new ATOM 0 H72 DT B 12 -3.724 0.881 3.504 1.00 0.00 H new ATOM 0 H73 DT B 12 -4.546 2.337 2.895 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.717 0.157 0.095 1.00 0.00 H new ATOM 380 P DA B 13 -8.851 -0.844 -3.281 1.00 0.00 P ATOM 381 OP1 DA B 13 -9.918 -0.818 -4.304 1.00 0.00 O ATOM 382 OP2 DA B 13 -9.037 -1.632 -2.044 1.00 0.00 O ATOM 383 O5' DA B 13 -7.487 -1.308 -3.979 1.00 0.00 O ATOM 384 C5' DA B 13 -6.998 -0.635 -5.120 1.00 0.00 C ATOM 385 C4' DA B 13 -5.687 -1.293 -5.537 1.00 0.00 C ATOM 386 O4' DA B 13 -4.762 -1.277 -4.468 1.00 0.00 O ATOM 387 C3' DA B 13 -5.920 -2.746 -5.955 1.00 0.00 C ATOM 388 O3' DA B 13 -5.480 -2.873 -7.292 1.00 0.00 O ATOM 389 C2' DA B 13 -5.107 -3.507 -4.908 1.00 0.00 C ATOM 390 C1' DA B 13 -4.065 -2.505 -4.415 1.00 0.00 C ATOM 391 N9 DA B 13 -3.692 -2.785 -3.009 1.00 0.00 N ATOM 392 C8 DA B 13 -4.543 -2.807 -1.933 1.00 0.00 C ATOM 393 N7 DA B 13 -4.013 -3.280 -0.840 1.00 0.00 N ATOM 394 C5 DA B 13 -2.670 -3.408 -1.175 1.00 0.00 C ATOM 395 C6 DA B 13 -1.531 -3.688 -0.403 1.00 0.00 C ATOM 396 N6 DA B 13 -1.604 -4.060 0.871 1.00 0.00 N ATOM 397 N1 DA B 13 -0.321 -3.444 -0.920 1.00 0.00 N ATOM 398 C2 DA B 13 -0.235 -3.048 -2.180 1.00 0.00 C ATOM 399 N3 DA B 13 -1.221 -2.838 -3.053 1.00 0.00 N ATOM 400 C4 DA B 13 -2.440 -3.018 -2.471 1.00 0.00 C ATOM 0 H5' DA B 13 -6.840 0.421 -4.900 1.00 0.00 H new ATOM 0 H5'' DA B 13 -7.724 -0.686 -5.932 1.00 0.00 H new ATOM 0 H4' DA B 13 -5.288 -0.728 -6.380 1.00 0.00 H new ATOM 0 H3' DA B 13 -6.944 -3.119 -5.968 1.00 0.00 H new ATOM 0 H2' DA B 13 -5.740 -3.853 -4.091 1.00 0.00 H new ATOM 0 H2'' DA B 13 -4.634 -4.389 -5.340 1.00 0.00 H new ATOM 0 H1' DA B 13 -3.146 -2.529 -5.001 1.00 0.00 H new ATOM 0 H8 DA B 13 -5.565 -2.462 -1.987 1.00 0.00 H new ATOM 0 H61 DA B 13 -0.751 -4.254 1.395 1.00 0.00 H new ATOM 0 H62 DA B 13 -2.513 -4.152 1.324 1.00 0.00 H new ATOM 0 H2 DA B 13 0.764 -2.872 -2.549 1.00 0.00 H new ATOM 412 P DC B 14 -5.604 -4.240 -8.134 1.00 0.00 P ATOM 413 OP1 DC B 14 -5.960 -3.894 -9.526 1.00 0.00 O ATOM 414 OP2 DC B 14 -6.439 -5.191 -7.367 1.00 0.00 O ATOM 415 O5' DC B 14 -4.085 -4.749 -8.096 1.00 0.00 O ATOM 416 C5' DC B 14 -3.053 -3.961 -8.656 1.00 0.00 C ATOM 417 C4' DC B 14 -1.709 -4.478 -8.154 1.00 0.00 C ATOM 418 O4' DC B 14 -1.729 -4.509 -6.732 1.00 0.00 O ATOM 419 C3' DC B 14 -1.413 -5.904 -8.647 1.00 0.00 C ATOM 420 O3' DC B 14 -0.075 -5.924 -9.118 1.00 0.00 O ATOM 421 C2' DC B 14 -1.609 -6.700 -7.358 1.00 0.00 C ATOM 422 C1' DC B 14 -1.089 -5.701 -6.332 1.00 0.00 C ATOM 423 N1 DC B 14 -1.410 -6.067 -4.924 1.00 0.00 N ATOM 424 C2 DC B 14 -0.365 -6.174 -4.013 1.00 0.00 C ATOM 425 O2 DC B 14 0.807 -6.090 -4.370 1.00 0.00 O ATOM 426 N3 DC B 14 -0.641 -6.378 -2.699 1.00 0.00 N ATOM 427 C4 DC B 14 -1.896 -6.570 -2.294 1.00 0.00 C ATOM 428 N4 DC B 14 -2.109 -6.741 -0.996 1.00 0.00 N ATOM 429 C5 DC B 14 -2.996 -6.501 -3.205 1.00 0.00 C ATOM 430 C6 DC B 14 -2.701 -6.254 -4.502 1.00 0.00 C ATOM 0 H5' DC B 14 -3.183 -2.916 -8.376 1.00 0.00 H new ATOM 0 H5'' DC B 14 -3.092 -4.007 -9.744 1.00 0.00 H new ATOM 0 H4' DC B 14 -0.939 -3.809 -8.537 1.00 0.00 H new ATOM 0 H3' DC B 14 -2.024 -6.289 -9.464 1.00 0.00 H new ATOM 0 H2' DC B 14 -2.653 -6.963 -7.188 1.00 0.00 H new ATOM 0 H2'' DC B 14 -1.041 -7.630 -7.355 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.001 -5.640 -6.319 1.00 0.00 H new ATOM 0 H41 DC B 14 -3.057 -6.890 -0.650 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.325 -6.723 -0.344 1.00 0.00 H new ATOM 0 H5 DC B 14 -4.014 -6.640 -2.873 1.00 0.00 H new ATOM 0 H6 DC B 14 -3.503 -6.203 -5.223 1.00 0.00 H new ATOM 442 P DG B 15 0.499 -7.037 -10.143 1.00 0.00 P ATOM 443 OP1 DG B 15 1.641 -6.428 -10.856 1.00 0.00 O ATOM 444 OP2 DG B 15 -0.636 -7.583 -10.918 1.00 0.00 O ATOM 445 O5' DG B 15 1.077 -8.214 -9.205 1.00 0.00 O ATOM 446 C5' DG B 15 1.846 -7.925 -8.054 1.00 0.00 C ATOM 447 C4' DG B 15 2.861 -9.035 -7.730 1.00 0.00 C ATOM 448 O4' DG B 15 3.030 -9.020 -6.324 1.00 0.00 O ATOM 449 C3' DG B 15 2.455 -10.472 -8.103 1.00 0.00 C ATOM 450 O3' DG B 15 3.585 -11.324 -8.051 1.00 0.00 O ATOM 451 C2' DG B 15 1.474 -10.646 -6.968 1.00 0.00 C ATOM 452 C1' DG B 15 2.296 -10.103 -5.794 1.00 0.00 C ATOM 453 N9 DG B 15 1.445 -9.727 -4.651 1.00 0.00 N ATOM 454 C8 DG B 15 0.093 -9.572 -4.651 1.00 0.00 C ATOM 455 N7 DG B 15 -0.434 -9.357 -3.482 1.00 0.00 N ATOM 456 C5 DG B 15 0.669 -9.354 -2.629 1.00 0.00 C ATOM 457 C6 DG B 15 0.746 -9.198 -1.213 1.00 0.00 C ATOM 458 O6 DG B 15 -0.173 -9.018 -0.419 1.00 0.00 O ATOM 459 N1 DG B 15 2.046 -9.268 -0.737 1.00 0.00 N ATOM 460 C2 DG B 15 3.143 -9.530 -1.521 1.00 0.00 C ATOM 461 N2 DG B 15 4.332 -9.627 -0.942 1.00 0.00 N ATOM 462 N3 DG B 15 3.078 -9.735 -2.840 1.00 0.00 N ATOM 463 C4 DG B 15 1.821 -9.601 -3.336 1.00 0.00 C ATOM 0 H5' DG B 15 1.181 -7.785 -7.202 1.00 0.00 H new ATOM 0 H5'' DG B 15 2.376 -6.984 -8.202 1.00 0.00 H new ATOM 0 H4' DG B 15 3.747 -8.813 -8.325 1.00 0.00 H new ATOM 0 H3' DG B 15 2.058 -10.681 -9.096 1.00 0.00 H new ATOM 0 H2' DG B 15 0.555 -10.081 -7.126 1.00 0.00 H new ATOM 0 H2'' DG B 15 1.187 -11.688 -6.825 1.00 0.00 H new ATOM 0 H1' DG B 15 2.966 -10.857 -5.381 1.00 0.00 H new ATOM 0 H8 DG B 15 -0.498 -9.624 -5.554 1.00 0.00 H new ATOM 0 H1 DG B 15 2.198 -9.115 0.260 1.00 0.00 H new ATOM 0 H21 DG B 15 5.160 -9.821 -1.506 1.00 0.00 H new ATOM 0 H22 DG B 15 4.419 -9.508 0.067 1.00 0.00 H new ATOM 475 P DC B 16 3.485 -12.922 -8.267 1.00 0.00 P ATOM 476 OP1 DC B 16 4.507 -13.313 -9.261 1.00 0.00 O ATOM 477 OP2 DC B 16 2.067 -13.275 -8.492 1.00 0.00 O ATOM 478 O5' DC B 16 3.924 -13.484 -6.822 1.00 0.00 O ATOM 479 C5' DC B 16 5.257 -13.328 -6.379 1.00 0.00 C ATOM 480 C4' DC B 16 5.398 -13.643 -4.892 1.00 0.00 C ATOM 481 O4' DC B 16 4.626 -12.721 -4.160 1.00 0.00 O ATOM 482 C3' DC B 16 4.894 -15.018 -4.464 1.00 0.00 C ATOM 483 O3' DC B 16 5.855 -16.027 -4.682 1.00 0.00 O ATOM 484 C2' DC B 16 4.643 -14.779 -2.980 1.00 0.00 C ATOM 485 C1' DC B 16 4.362 -13.271 -2.884 1.00 0.00 C ATOM 486 N1 DC B 16 2.948 -12.999 -2.515 1.00 0.00 N ATOM 487 C2 DC B 16 2.648 -12.776 -1.175 1.00 0.00 C ATOM 488 O2 DC B 16 3.518 -12.816 -0.310 1.00 0.00 O ATOM 489 N3 DC B 16 1.364 -12.507 -0.816 1.00 0.00 N ATOM 490 C4 DC B 16 0.396 -12.490 -1.737 1.00 0.00 C ATOM 491 N4 DC B 16 -0.825 -12.155 -1.344 1.00 0.00 N ATOM 492 C5 DC B 16 0.670 -12.718 -3.124 1.00 0.00 C ATOM 493 C6 DC B 16 1.958 -12.960 -3.465 1.00 0.00 C ATOM 0 H5' DC B 16 5.586 -12.306 -6.567 1.00 0.00 H new ATOM 0 H5'' DC B 16 5.911 -13.984 -6.954 1.00 0.00 H new ATOM 0 H4' DC B 16 6.470 -13.599 -4.700 1.00 0.00 H new ATOM 0 H3' DC B 16 4.024 -15.370 -5.018 1.00 0.00 H new ATOM 0 H2' DC B 16 3.798 -15.365 -2.619 1.00 0.00 H new ATOM 0 H2'' DC B 16 5.507 -15.062 -2.379 1.00 0.00 H new ATOM 0 HO3' DC B 16 5.494 -16.891 -4.393 1.00 0.00 H new ATOM 0 H1' DC B 16 4.990 -12.829 -2.111 1.00 0.00 H new ATOM 0 H41 DC B 16 -1.589 -12.131 -2.019 1.00 0.00 H new ATOM 0 H42 DC B 16 -1.000 -11.921 -0.367 1.00 0.00 H new ATOM 0 H5 DC B 16 -0.115 -12.698 -3.865 1.00 0.00 H new ATOM 0 H6 DC B 16 2.211 -13.125 -4.502 1.00 0.00 H new TER 506 DC B 16 HETATM 507 O1 PSO B 1 -1.403 0.233 -1.624 1.00 0.00 O HETATM 508 C2 PSO B 1 -2.655 0.143 -1.555 1.00 0.00 C HETATM 509 C3 PSO B 1 -3.418 -0.067 -0.258 1.00 0.00 C HETATM 510 C4 PSO B 1 -2.602 0.033 0.994 1.00 0.00 C HETATM 511 C5 PSO B 1 -0.377 0.292 1.843 1.00 0.00 C HETATM 512 C6 PSO B 1 1.010 0.442 1.649 1.00 0.00 C HETATM 513 C7 PSO B 1 1.523 0.470 0.403 1.00 0.00 C HETATM 514 C8 PSO B 1 0.684 0.222 -0.688 1.00 0.00 C HETATM 515 C9 PSO B 1 -0.722 0.253 -0.547 1.00 0.00 C HETATM 516 C10 PSO B 1 -1.239 0.215 0.742 1.00 0.00 C HETATM 517 C4' PSO B 1 2.106 0.065 2.594 1.00 0.00 C HETATM 518 C5' PSO B 1 3.293 0.314 1.675 1.00 0.00 C HETATM 519 O6' PSO B 1 2.784 0.485 0.341 1.00 0.00 O HETATM 520 O11 PSO B 1 -3.292 0.230 -2.599 1.00 0.00 O HETATM 521 C12 PSO B 1 -2.888 -1.062 2.035 1.00 0.00 C HETATM 522 C13 PSO B 1 2.074 0.799 3.946 1.00 0.00 C HETATM 523 O14 PSO B 1 1.698 2.157 3.895 1.00 0.00 O HETATM 524 C15 PSO B 1 4.074 1.477 2.268 1.00 0.00 C HETATM 525 C16 PSO B 1 1.325 -0.091 -2.011 1.00 0.00 C HETATM 0 H163 PSO B 1 1.951 0.746 -2.319 1.00 0.00 H new HETATM 0 H162 PSO B 1 1.938 -0.987 -1.915 1.00 0.00 H new HETATM 0 H161 PSO B 1 0.551 -0.260 -2.760 1.00 0.00 H new HETATM 0 H153 PSO B 1 3.433 2.357 2.318 1.00 0.00 H new HETATM 0 H152 PSO B 1 4.411 1.215 3.271 1.00 0.00 H new HETATM 0 H151 PSO B 1 4.938 1.693 1.640 1.00 0.00 H new HETATM 0 H132 PSO B 1 1.384 0.275 4.607 1.00 0.00 H new HETATM 0 H131 PSO B 1 3.063 0.732 4.399 1.00 0.00 H new HETATM 0 H123 PSO B 1 -3.934 -1.013 2.336 1.00 0.00 H new HETATM 0 H122 PSO B 1 -2.680 -2.040 1.601 1.00 0.00 H new HETATM 0 H121 PSO B 1 -2.252 -0.910 2.907 1.00 0.00 H new HETATM 0 H5 PSO B 1 -0.781 0.236 2.854 1.00 0.00 H new HETATM 0 H14 PSO B 1 1.706 2.533 4.800 1.00 0.00 H new