USER MOD reduce.3.24.130724 H: found=0, std=0, add=196, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 196 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl -30:sc= -1.5! (180deg=-4.12!) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : A 9 PSO O14 : rot 180:sc= 0.104 USER MOD Single : B 9 DG O5' : rot -25:sc= 0.0794 USER MOD Single : B 12 DT C7 :methyl 150:sc= -3.61! (180deg=-3.61!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -3.251 -12.450 10.652 1.00 0.00 O ATOM 2 C5' DG A 1 -2.657 -12.705 9.397 1.00 0.00 C ATOM 3 C4' DG A 1 -1.139 -12.487 9.478 1.00 0.00 C ATOM 4 O4' DG A 1 -0.451 -13.073 8.373 1.00 0.00 O ATOM 5 C3' DG A 1 -0.776 -11.019 9.480 1.00 0.00 C ATOM 6 O3' DG A 1 0.412 -10.833 10.228 1.00 0.00 O ATOM 7 C2' DG A 1 -0.631 -10.772 8.001 1.00 0.00 C ATOM 8 C1' DG A 1 -0.120 -12.073 7.411 1.00 0.00 C ATOM 9 N9 DG A 1 -0.768 -12.340 6.101 1.00 0.00 N ATOM 10 C8 DG A 1 -2.076 -12.686 5.880 1.00 0.00 C ATOM 11 N7 DG A 1 -2.408 -12.794 4.629 1.00 0.00 N ATOM 12 C5 DG A 1 -1.225 -12.524 3.956 1.00 0.00 C ATOM 13 C6 DG A 1 -0.963 -12.523 2.557 1.00 0.00 C ATOM 14 O6 DG A 1 -1.758 -12.711 1.642 1.00 0.00 O ATOM 15 N1 DG A 1 0.363 -12.274 2.260 1.00 0.00 N ATOM 16 C2 DG A 1 1.331 -12.019 3.200 1.00 0.00 C ATOM 17 N2 DG A 1 2.570 -11.819 2.757 1.00 0.00 N ATOM 18 N3 DG A 1 1.093 -11.982 4.522 1.00 0.00 N ATOM 19 C4 DG A 1 -0.205 -12.257 4.840 1.00 0.00 C ATOM 0 H5' DG A 1 -3.087 -12.047 8.642 1.00 0.00 H new ATOM 0 H5'' DG A 1 -2.869 -13.728 9.086 1.00 0.00 H new ATOM 0 H4' DG A 1 -0.837 -12.960 10.412 1.00 0.00 H new ATOM 0 H3' DG A 1 -1.484 -10.331 9.943 1.00 0.00 H new ATOM 0 H2' DG A 1 -1.585 -10.490 7.557 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.065 -9.955 7.808 1.00 0.00 H new ATOM 0 HO5' DG A 1 -4.219 -12.590 10.590 1.00 0.00 H new ATOM 0 H1' DG A 1 0.952 -12.048 7.217 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.776 -12.856 6.684 1.00 0.00 H new ATOM 0 H1 DG A 1 0.641 -12.280 1.279 1.00 0.00 H new ATOM 0 H21 DG A 1 3.323 -11.626 3.418 1.00 0.00 H new ATOM 0 H22 DG A 1 2.767 -11.859 1.757 1.00 0.00 H new ATOM 32 P DC A 2 1.040 -9.377 10.512 1.00 0.00 P ATOM 33 OP1 DC A 2 1.708 -9.415 11.831 1.00 0.00 O ATOM 34 OP2 DC A 2 0.006 -8.356 10.238 1.00 0.00 O ATOM 35 O5' DC A 2 2.166 -9.267 9.369 1.00 0.00 O ATOM 36 C5' DC A 2 3.192 -10.231 9.283 1.00 0.00 C ATOM 37 C4' DC A 2 4.282 -9.817 8.293 1.00 0.00 C ATOM 38 O4' DC A 2 3.861 -9.891 6.934 1.00 0.00 O ATOM 39 C3' DC A 2 4.762 -8.386 8.521 1.00 0.00 C ATOM 40 O3' DC A 2 6.156 -8.465 8.306 1.00 0.00 O ATOM 41 C2' DC A 2 3.939 -7.617 7.482 1.00 0.00 C ATOM 42 C1' DC A 2 3.814 -8.608 6.314 1.00 0.00 C ATOM 43 N1 DC A 2 2.516 -8.561 5.557 1.00 0.00 N ATOM 44 C2 DC A 2 2.516 -8.885 4.202 1.00 0.00 C ATOM 45 O2 DC A 2 3.569 -9.118 3.611 1.00 0.00 O ATOM 46 N3 DC A 2 1.336 -8.947 3.510 1.00 0.00 N ATOM 47 C4 DC A 2 0.177 -8.713 4.141 1.00 0.00 C ATOM 48 N4 DC A 2 -0.963 -8.879 3.479 1.00 0.00 N ATOM 49 C5 DC A 2 0.129 -8.403 5.532 1.00 0.00 C ATOM 50 C6 DC A 2 1.311 -8.366 6.187 1.00 0.00 C ATOM 0 H5' DC A 2 2.767 -11.187 8.976 1.00 0.00 H new ATOM 0 H5'' DC A 2 3.634 -10.380 10.268 1.00 0.00 H new ATOM 0 H4' DC A 2 5.086 -10.530 8.475 1.00 0.00 H new ATOM 0 H3' DC A 2 4.629 -7.901 9.488 1.00 0.00 H new ATOM 0 H2' DC A 2 2.962 -7.334 7.874 1.00 0.00 H new ATOM 0 H2'' DC A 2 4.438 -6.698 7.176 1.00 0.00 H new ATOM 0 H1' DC A 2 4.596 -8.374 5.592 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.853 -8.705 3.945 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.948 -9.180 2.505 1.00 0.00 H new ATOM 0 H5 DC A 2 -0.805 -8.207 6.037 1.00 0.00 H new ATOM 0 H6 DC A 2 1.308 -8.175 7.250 1.00 0.00 H new ATOM 62 P DG A 3 7.106 -7.183 8.276 1.00 0.00 P ATOM 63 OP1 DG A 3 8.482 -7.605 8.612 1.00 0.00 O ATOM 64 OP2 DG A 3 6.456 -6.086 9.026 1.00 0.00 O ATOM 65 O5' DG A 3 7.011 -6.870 6.709 1.00 0.00 O ATOM 66 C5' DG A 3 7.478 -7.797 5.752 1.00 0.00 C ATOM 67 C4' DG A 3 7.637 -7.122 4.392 1.00 0.00 C ATOM 68 O4' DG A 3 6.358 -7.048 3.803 1.00 0.00 O ATOM 69 C3' DG A 3 8.192 -5.701 4.549 1.00 0.00 C ATOM 70 O3' DG A 3 9.088 -5.423 3.492 1.00 0.00 O ATOM 71 C2' DG A 3 6.892 -4.900 4.520 1.00 0.00 C ATOM 72 C1' DG A 3 6.038 -5.702 3.557 1.00 0.00 C ATOM 73 N9 DG A 3 4.586 -5.535 3.751 1.00 0.00 N ATOM 74 C8 DG A 3 3.874 -5.258 4.888 1.00 0.00 C ATOM 75 N7 DG A 3 2.590 -5.448 4.767 1.00 0.00 N ATOM 76 C5 DG A 3 2.427 -5.797 3.427 1.00 0.00 C ATOM 77 C6 DG A 3 1.250 -6.025 2.648 1.00 0.00 C ATOM 78 O6 DG A 3 0.079 -6.060 3.026 1.00 0.00 O ATOM 79 N1 DG A 3 1.534 -6.225 1.307 1.00 0.00 N ATOM 80 C2 DG A 3 2.804 -6.238 0.772 1.00 0.00 C ATOM 81 N2 DG A 3 2.972 -6.419 -0.531 1.00 0.00 N ATOM 82 N3 DG A 3 3.907 -6.047 1.492 1.00 0.00 N ATOM 83 C4 DG A 3 3.647 -5.823 2.801 1.00 0.00 C ATOM 0 H5' DG A 3 6.780 -8.630 5.672 1.00 0.00 H new ATOM 0 H5'' DG A 3 8.433 -8.211 6.074 1.00 0.00 H new ATOM 0 H4' DG A 3 8.331 -7.696 3.777 1.00 0.00 H new ATOM 0 H3' DG A 3 8.785 -5.491 5.439 1.00 0.00 H new ATOM 0 H2' DG A 3 6.435 -4.831 5.507 1.00 0.00 H new ATOM 0 H2'' DG A 3 7.051 -3.880 4.170 1.00 0.00 H new ATOM 0 H1' DG A 3 6.247 -5.362 2.543 1.00 0.00 H new ATOM 0 H8 DG A 3 4.335 -4.913 5.802 1.00 0.00 H new ATOM 0 H1 DG A 3 0.749 -6.373 0.672 1.00 0.00 H new ATOM 0 H21 DG A 3 3.912 -6.429 -0.928 1.00 0.00 H new ATOM 0 H22 DG A 3 2.161 -6.549 -1.137 1.00 0.00 H new ATOM 95 P DT A 4 10.000 -4.089 3.471 1.00 0.00 P ATOM 96 OP1 DT A 4 11.296 -4.428 2.846 1.00 0.00 O ATOM 97 OP2 DT A 4 9.967 -3.477 4.817 1.00 0.00 O ATOM 98 O5' DT A 4 9.171 -3.155 2.469 1.00 0.00 O ATOM 99 C5' DT A 4 9.136 -3.453 1.090 1.00 0.00 C ATOM 100 C4' DT A 4 7.859 -2.882 0.484 1.00 0.00 C ATOM 101 O4' DT A 4 6.709 -3.334 1.188 1.00 0.00 O ATOM 102 C3' DT A 4 7.741 -1.366 0.572 1.00 0.00 C ATOM 103 O3' DT A 4 8.519 -0.644 -0.359 1.00 0.00 O ATOM 104 C2' DT A 4 6.249 -1.270 0.285 1.00 0.00 C ATOM 105 C1' DT A 4 5.618 -2.599 0.666 1.00 0.00 C ATOM 106 N1 DT A 4 4.464 -2.473 1.602 1.00 0.00 N ATOM 107 C2 DT A 4 3.215 -2.961 1.242 1.00 0.00 C ATOM 108 O2 DT A 4 2.952 -3.350 0.110 1.00 0.00 O ATOM 109 N3 DT A 4 2.250 -2.999 2.218 1.00 0.00 N ATOM 110 C4 DT A 4 2.328 -2.485 3.485 1.00 0.00 C ATOM 111 O4 DT A 4 1.478 -2.767 4.324 1.00 0.00 O ATOM 112 C5 DT A 4 3.488 -1.554 3.812 1.00 0.00 C ATOM 113 C7 DT A 4 4.109 -1.782 5.190 1.00 0.00 C ATOM 114 C6 DT A 4 4.596 -1.537 2.752 1.00 0.00 C ATOM 0 H5' DT A 4 9.174 -4.532 0.938 1.00 0.00 H new ATOM 0 H5'' DT A 4 10.009 -3.030 0.593 1.00 0.00 H new ATOM 0 H4' DT A 4 7.912 -3.213 -0.553 1.00 0.00 H new ATOM 0 H3' DT A 4 8.103 -0.933 1.504 1.00 0.00 H new ATOM 0 H2' DT A 4 5.801 -0.457 0.856 1.00 0.00 H new ATOM 0 H2'' DT A 4 6.076 -1.053 -0.769 1.00 0.00 H new ATOM 0 H1' DT A 4 5.149 -3.099 -0.182 1.00 0.00 H new ATOM 0 H3 DT A 4 1.376 -3.463 1.971 1.00 0.00 H new ATOM 0 H71 DT A 4 3.348 -2.155 5.875 1.00 0.00 H new ATOM 0 H72 DT A 4 4.914 -2.512 5.110 1.00 0.00 H new ATOM 0 H73 DT A 4 4.508 -0.841 5.569 1.00 0.00 H new ATOM 0 H6 DT A 4 5.441 -0.870 2.837 1.00 0.00 H new ATOM 127 P DA A 5 8.449 0.972 -0.404 1.00 0.00 P ATOM 128 OP1 DA A 5 9.668 1.452 -1.090 1.00 0.00 O ATOM 129 OP2 DA A 5 8.146 1.459 0.959 1.00 0.00 O ATOM 130 O5' DA A 5 7.166 1.283 -1.344 1.00 0.00 O ATOM 131 C5' DA A 5 7.339 1.340 -2.743 1.00 0.00 C ATOM 132 C4' DA A 5 6.080 1.453 -3.613 1.00 0.00 C ATOM 133 O4' DA A 5 4.909 1.342 -2.808 1.00 0.00 O ATOM 134 C3' DA A 5 6.093 2.817 -4.291 1.00 0.00 C ATOM 135 O3' DA A 5 5.322 2.853 -5.473 1.00 0.00 O ATOM 136 C2' DA A 5 5.466 3.530 -3.121 1.00 0.00 C ATOM 137 C1' DA A 5 4.310 2.619 -2.735 1.00 0.00 C ATOM 138 N9 DA A 5 3.762 2.925 -1.396 1.00 0.00 N ATOM 139 C8 DA A 5 4.447 3.061 -0.218 1.00 0.00 C ATOM 140 N7 DA A 5 3.690 3.253 0.827 1.00 0.00 N ATOM 141 C5 DA A 5 2.402 3.242 0.298 1.00 0.00 C ATOM 142 C6 DA A 5 1.121 3.351 0.873 1.00 0.00 C ATOM 143 N6 DA A 5 0.959 3.432 2.189 1.00 0.00 N ATOM 144 N1 DA A 5 0.033 3.316 0.077 1.00 0.00 N ATOM 145 C2 DA A 5 0.221 3.172 -1.231 1.00 0.00 C ATOM 146 N3 DA A 5 1.365 3.055 -1.896 1.00 0.00 N ATOM 147 C4 DA A 5 2.435 3.086 -1.061 1.00 0.00 C ATOM 0 H5' DA A 5 7.880 0.445 -3.051 1.00 0.00 H new ATOM 0 H5'' DA A 5 7.979 2.193 -2.967 1.00 0.00 H new ATOM 0 H4' DA A 5 6.072 0.652 -4.352 1.00 0.00 H new ATOM 0 H3' DA A 5 7.040 3.204 -4.666 1.00 0.00 H new ATOM 0 H2' DA A 5 6.172 3.654 -2.300 1.00 0.00 H new ATOM 0 H2'' DA A 5 5.119 4.526 -3.396 1.00 0.00 H new ATOM 0 H1' DA A 5 3.437 2.725 -3.379 1.00 0.00 H new ATOM 0 H8 DA A 5 5.524 3.013 -0.159 1.00 0.00 H new ATOM 0 H61 DA A 5 0.022 3.510 2.584 1.00 0.00 H new ATOM 0 H62 DA A 5 1.772 3.416 2.805 1.00 0.00 H new ATOM 0 H2 DA A 5 -0.675 3.147 -1.833 1.00 0.00 H new ATOM 159 P DC A 6 5.206 4.209 -6.354 1.00 0.00 P ATOM 160 OP1 DC A 6 5.229 3.829 -7.783 1.00 0.00 O ATOM 161 OP2 DC A 6 6.183 5.193 -5.839 1.00 0.00 O ATOM 162 O5' DC A 6 3.731 4.719 -5.971 1.00 0.00 O ATOM 163 C5' DC A 6 2.632 3.923 -6.339 1.00 0.00 C ATOM 164 C4' DC A 6 1.275 4.554 -6.045 1.00 0.00 C ATOM 165 O4' DC A 6 1.004 4.613 -4.640 1.00 0.00 O ATOM 166 C3' DC A 6 1.128 5.985 -6.588 1.00 0.00 C ATOM 167 O3' DC A 6 -0.129 6.114 -7.236 1.00 0.00 O ATOM 168 C2' DC A 6 1.192 6.830 -5.314 1.00 0.00 C ATOM 169 C1' DC A 6 0.641 5.932 -4.220 1.00 0.00 C ATOM 170 N1 DC A 6 1.134 6.244 -2.850 1.00 0.00 N ATOM 171 C2 DC A 6 0.199 6.451 -1.837 1.00 0.00 C ATOM 172 O2 DC A 6 -0.999 6.575 -2.065 1.00 0.00 O ATOM 173 N3 DC A 6 0.606 6.520 -0.546 1.00 0.00 N ATOM 174 C4 DC A 6 1.903 6.470 -0.249 1.00 0.00 C ATOM 175 N4 DC A 6 2.229 6.388 1.035 1.00 0.00 N ATOM 176 C5 DC A 6 2.899 6.334 -1.268 1.00 0.00 C ATOM 177 C6 DC A 6 2.466 6.225 -2.546 1.00 0.00 C ATOM 0 H5' DC A 6 2.697 2.969 -5.816 1.00 0.00 H new ATOM 0 H5'' DC A 6 2.696 3.706 -7.405 1.00 0.00 H new ATOM 0 H4' DC A 6 0.567 3.901 -6.554 1.00 0.00 H new ATOM 0 H3' DC A 6 1.880 6.274 -7.322 1.00 0.00 H new ATOM 0 H2' DC A 6 2.215 7.137 -5.095 1.00 0.00 H new ATOM 0 H2'' DC A 6 0.600 7.740 -5.413 1.00 0.00 H new ATOM 0 H1' DC A 6 -0.435 6.069 -4.114 1.00 0.00 H new ATOM 0 H41 DC A 6 3.210 6.347 1.310 1.00 0.00 H new ATOM 0 H42 DC A 6 1.498 6.366 1.746 1.00 0.00 H new ATOM 0 H5 DC A 6 3.952 6.319 -1.027 1.00 0.00 H new ATOM 0 H6 DC A 6 3.189 6.121 -3.342 1.00 0.00 H new ATOM 189 P DG A 7 -0.624 7.506 -7.905 1.00 0.00 P ATOM 190 OP1 DG A 7 -1.534 7.172 -9.022 1.00 0.00 O ATOM 191 OP2 DG A 7 0.572 8.336 -8.165 1.00 0.00 O ATOM 192 O5' DG A 7 -1.488 8.230 -6.736 1.00 0.00 O ATOM 193 C5' DG A 7 -2.766 7.738 -6.383 1.00 0.00 C ATOM 194 C4' DG A 7 -3.557 8.628 -5.415 1.00 0.00 C ATOM 195 O4' DG A 7 -2.949 8.658 -4.139 1.00 0.00 O ATOM 196 C3' DG A 7 -3.685 10.077 -5.894 1.00 0.00 C ATOM 197 O3' DG A 7 -5.013 10.490 -5.609 1.00 0.00 O ATOM 198 C2' DG A 7 -2.601 10.768 -5.082 1.00 0.00 C ATOM 199 C1' DG A 7 -2.661 9.996 -3.773 1.00 0.00 C ATOM 200 N9 DG A 7 -1.441 9.969 -2.947 1.00 0.00 N ATOM 201 C8 DG A 7 -0.134 9.873 -3.339 1.00 0.00 C ATOM 202 N7 DG A 7 0.704 9.679 -2.357 1.00 0.00 N ATOM 203 C5 DG A 7 -0.110 9.647 -1.224 1.00 0.00 C ATOM 204 C6 DG A 7 0.207 9.487 0.161 1.00 0.00 C ATOM 205 O6 DG A 7 1.313 9.359 0.678 1.00 0.00 O ATOM 206 N1 DG A 7 -0.914 9.485 0.978 1.00 0.00 N ATOM 207 C2 DG A 7 -2.196 9.661 0.525 1.00 0.00 C ATOM 208 N2 DG A 7 -3.183 9.658 1.412 1.00 0.00 N ATOM 209 N3 DG A 7 -2.505 9.841 -0.762 1.00 0.00 N ATOM 210 C4 DG A 7 -1.424 9.812 -1.583 1.00 0.00 C ATOM 0 H5' DG A 7 -2.648 6.752 -5.933 1.00 0.00 H new ATOM 0 H5'' DG A 7 -3.352 7.605 -7.292 1.00 0.00 H new ATOM 0 H4' DG A 7 -4.550 8.182 -5.368 1.00 0.00 H new ATOM 0 H3' DG A 7 -3.544 10.280 -6.956 1.00 0.00 H new ATOM 0 H2' DG A 7 -1.623 10.694 -5.557 1.00 0.00 H new ATOM 0 H2'' DG A 7 -2.807 11.829 -4.942 1.00 0.00 H new ATOM 0 H1' DG A 7 -3.400 10.502 -3.152 1.00 0.00 H new ATOM 0 H8 DG A 7 0.177 9.951 -4.370 1.00 0.00 H new ATOM 0 H1 DG A 7 -0.776 9.344 1.979 1.00 0.00 H new ATOM 0 H21 DG A 7 -4.147 9.787 1.103 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.978 9.527 2.403 1.00 0.00 H new ATOM 222 P DC A 8 -5.591 11.936 -6.016 1.00 0.00 P ATOM 223 OP1 DC A 8 -7.042 11.798 -6.266 1.00 0.00 O ATOM 224 OP2 DC A 8 -4.713 12.502 -7.062 1.00 0.00 O ATOM 225 O5' DC A 8 -5.378 12.783 -4.667 1.00 0.00 O ATOM 226 C5' DC A 8 -6.293 12.718 -3.588 1.00 0.00 C ATOM 227 C4' DC A 8 -5.720 13.461 -2.372 1.00 0.00 C ATOM 228 O4' DC A 8 -4.615 12.721 -1.862 1.00 0.00 O ATOM 229 C3' DC A 8 -5.197 14.866 -2.740 1.00 0.00 C ATOM 230 O3' DC A 8 -5.479 15.817 -1.734 1.00 0.00 O ATOM 231 C2' DC A 8 -3.703 14.593 -2.826 1.00 0.00 C ATOM 232 C1' DC A 8 -3.575 13.647 -1.631 1.00 0.00 C ATOM 233 N1 DC A 8 -2.233 13.070 -1.407 1.00 0.00 N ATOM 234 C2 DC A 8 -1.788 12.845 -0.103 1.00 0.00 C ATOM 235 O2 DC A 8 -2.572 12.812 0.842 1.00 0.00 O ATOM 236 N3 DC A 8 -0.452 12.659 0.124 1.00 0.00 N ATOM 237 C4 DC A 8 0.421 12.752 -0.888 1.00 0.00 C ATOM 238 N4 DC A 8 1.706 12.532 -0.650 1.00 0.00 N ATOM 239 C5 DC A 8 -0.021 13.012 -2.222 1.00 0.00 C ATOM 240 C6 DC A 8 -1.338 13.135 -2.415 1.00 0.00 C ATOM 0 H5' DC A 8 -6.491 11.678 -3.330 1.00 0.00 H new ATOM 0 H5'' DC A 8 -7.245 13.161 -3.880 1.00 0.00 H new ATOM 0 H4' DC A 8 -6.524 13.562 -1.643 1.00 0.00 H new ATOM 0 H3' DC A 8 -5.644 15.286 -3.641 1.00 0.00 H new ATOM 0 H2' DC A 8 -3.412 14.127 -3.767 1.00 0.00 H new ATOM 0 H2'' DC A 8 -3.101 15.495 -2.717 1.00 0.00 H new ATOM 0 HO3' DC A 8 -5.130 16.692 -2.004 1.00 0.00 H new ATOM 0 H1' DC A 8 -3.680 14.162 -0.676 1.00 0.00 H new ATOM 0 H41 DC A 8 2.384 12.599 -1.409 1.00 0.00 H new ATOM 0 H42 DC A 8 2.017 12.296 0.292 1.00 0.00 H new ATOM 0 H5 DC A 8 0.679 13.105 -3.039 1.00 0.00 H new ATOM 0 H6 DC A 8 -1.701 13.293 -3.420 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 9 4.235 12.942 8.818 1.00 0.00 O ATOM 255 C5' DG B 9 3.743 11.798 9.480 1.00 0.00 C ATOM 256 C4' DG B 9 2.234 11.951 9.698 1.00 0.00 C ATOM 257 O4' DG B 9 1.563 12.386 8.522 1.00 0.00 O ATOM 258 C3' DG B 9 1.589 10.642 10.102 1.00 0.00 C ATOM 259 O3' DG B 9 0.525 10.923 10.997 1.00 0.00 O ATOM 260 C2' DG B 9 1.137 10.066 8.763 1.00 0.00 C ATOM 261 C1' DG B 9 0.993 11.275 7.840 1.00 0.00 C ATOM 262 N9 DG B 9 1.606 11.145 6.491 1.00 0.00 N ATOM 263 C8 DG B 9 2.909 10.878 6.140 1.00 0.00 C ATOM 264 N7 DG B 9 3.166 11.012 4.872 1.00 0.00 N ATOM 265 C5 DG B 9 1.950 11.399 4.325 1.00 0.00 C ATOM 266 C6 DG B 9 1.610 11.735 2.981 1.00 0.00 C ATOM 267 O6 DG B 9 2.353 11.793 2.006 1.00 0.00 O ATOM 268 N1 DG B 9 0.265 12.022 2.820 1.00 0.00 N ATOM 269 C2 DG B 9 -0.647 12.029 3.847 1.00 0.00 C ATOM 270 N2 DG B 9 -1.917 12.286 3.556 1.00 0.00 N ATOM 271 N3 DG B 9 -0.332 11.765 5.122 1.00 0.00 N ATOM 272 C4 DG B 9 0.983 11.457 5.298 1.00 0.00 C ATOM 0 H5' DG B 9 4.250 11.671 10.437 1.00 0.00 H new ATOM 0 H5'' DG B 9 3.948 10.905 8.890 1.00 0.00 H new ATOM 0 H4' DG B 9 2.136 12.693 10.490 1.00 0.00 H new ATOM 0 H3' DG B 9 2.229 9.936 10.631 1.00 0.00 H new ATOM 0 H2' DG B 9 1.866 9.356 8.373 1.00 0.00 H new ATOM 0 H2'' DG B 9 0.193 9.531 8.862 1.00 0.00 H new ATOM 0 HO5' DG B 9 3.512 13.360 8.305 1.00 0.00 H new ATOM 0 H1' DG B 9 -0.071 11.390 7.633 1.00 0.00 H new ATOM 0 H8 DG B 9 3.658 10.581 6.859 1.00 0.00 H new ATOM 0 H1 DG B 9 -0.069 12.242 1.882 1.00 0.00 H new ATOM 0 H21 DG B 9 -2.618 12.298 4.297 1.00 0.00 H new ATOM 0 H22 DG B 9 -2.192 12.471 2.591 1.00 0.00 H new ATOM 285 P DC B 10 -0.335 9.768 11.727 1.00 0.00 P ATOM 286 OP1 DC B 10 -0.963 10.354 12.931 1.00 0.00 O ATOM 287 OP2 DC B 10 0.517 8.565 11.851 1.00 0.00 O ATOM 288 O5' DC B 10 -1.485 9.470 10.642 1.00 0.00 O ATOM 289 C5' DC B 10 -2.433 10.463 10.312 1.00 0.00 C ATOM 290 C4' DC B 10 -3.129 10.116 8.995 1.00 0.00 C ATOM 291 O4' DC B 10 -2.206 10.127 7.917 1.00 0.00 O ATOM 292 C3' DC B 10 -3.787 8.728 9.000 1.00 0.00 C ATOM 293 O3' DC B 10 -5.154 8.927 8.696 1.00 0.00 O ATOM 294 C2' DC B 10 -2.999 7.991 7.905 1.00 0.00 C ATOM 295 C1' DC B 10 -2.609 9.137 6.993 1.00 0.00 C ATOM 296 N1 DC B 10 -1.556 8.807 5.997 1.00 0.00 N ATOM 297 C2 DC B 10 -1.772 9.044 4.639 1.00 0.00 C ATOM 298 O2 DC B 10 -2.871 9.411 4.225 1.00 0.00 O ATOM 299 N3 DC B 10 -0.747 8.868 3.751 1.00 0.00 N ATOM 300 C4 DC B 10 0.428 8.389 4.181 1.00 0.00 C ATOM 301 N4 DC B 10 1.456 8.369 3.340 1.00 0.00 N ATOM 302 C5 DC B 10 0.651 8.072 5.556 1.00 0.00 C ATOM 303 C6 DC B 10 -0.360 8.310 6.413 1.00 0.00 C ATOM 0 H5' DC B 10 -1.940 11.432 10.227 1.00 0.00 H new ATOM 0 H5'' DC B 10 -3.171 10.550 11.109 1.00 0.00 H new ATOM 0 H4' DC B 10 -3.900 10.878 8.876 1.00 0.00 H new ATOM 0 H3' DC B 10 -3.761 8.163 9.931 1.00 0.00 H new ATOM 0 H2' DC B 10 -2.129 7.470 8.305 1.00 0.00 H new ATOM 0 H2'' DC B 10 -3.608 7.247 7.392 1.00 0.00 H new ATOM 0 H1' DC B 10 -3.427 9.445 6.342 1.00 0.00 H new ATOM 0 H41 DC B 10 2.359 8.008 3.647 1.00 0.00 H new ATOM 0 H42 DC B 10 1.342 8.714 2.387 1.00 0.00 H new ATOM 0 H5 DC B 10 1.590 7.659 5.894 1.00 0.00 H new ATOM 0 H6 DC B 10 -0.217 8.100 7.463 1.00 0.00 H new ATOM 315 P DG B 11 -6.185 7.709 8.522 1.00 0.00 P ATOM 316 OP1 DG B 11 -7.526 8.171 8.940 1.00 0.00 O ATOM 317 OP2 DG B 11 -5.596 6.503 9.144 1.00 0.00 O ATOM 318 O5' DG B 11 -6.178 7.507 6.924 1.00 0.00 O ATOM 319 C5' DG B 11 -6.715 8.482 6.050 1.00 0.00 C ATOM 320 C4' DG B 11 -7.348 7.828 4.811 1.00 0.00 C ATOM 321 O4' DG B 11 -6.364 7.613 3.821 1.00 0.00 O ATOM 322 C3' DG B 11 -7.987 6.468 5.111 1.00 0.00 C ATOM 323 O3' DG B 11 -9.123 6.316 4.280 1.00 0.00 O ATOM 324 C2' DG B 11 -6.837 5.515 4.805 1.00 0.00 C ATOM 325 C1' DG B 11 -6.108 6.232 3.669 1.00 0.00 C ATOM 326 N9 DG B 11 -4.646 6.055 3.687 1.00 0.00 N ATOM 327 C8 DG B 11 -3.825 5.828 4.754 1.00 0.00 C ATOM 328 N7 DG B 11 -2.553 5.880 4.477 1.00 0.00 N ATOM 329 C5 DG B 11 -2.529 6.137 3.107 1.00 0.00 C ATOM 330 C6 DG B 11 -1.436 6.208 2.191 1.00 0.00 C ATOM 331 O6 DG B 11 -0.236 6.101 2.431 1.00 0.00 O ATOM 332 N1 DG B 11 -1.847 6.426 0.886 1.00 0.00 N ATOM 333 C2 DG B 11 -3.160 6.538 0.493 1.00 0.00 C ATOM 334 N2 DG B 11 -3.440 6.727 -0.790 1.00 0.00 N ATOM 335 N3 DG B 11 -4.192 6.430 1.332 1.00 0.00 N ATOM 336 C4 DG B 11 -3.808 6.238 2.619 1.00 0.00 C ATOM 0 H5' DG B 11 -5.928 9.169 5.740 1.00 0.00 H new ATOM 0 H5'' DG B 11 -7.465 9.073 6.576 1.00 0.00 H new ATOM 0 H4' DG B 11 -8.123 8.517 4.474 1.00 0.00 H new ATOM 0 H3' DG B 11 -8.366 6.309 6.121 1.00 0.00 H new ATOM 0 H2' DG B 11 -6.192 5.366 5.671 1.00 0.00 H new ATOM 0 H2'' DG B 11 -7.195 4.531 4.501 1.00 0.00 H new ATOM 0 H1' DG B 11 -6.471 5.810 2.732 1.00 0.00 H new ATOM 0 H8 DG B 11 -4.199 5.622 5.746 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.127 6.509 0.168 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.410 6.811 -1.093 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.685 6.788 -1.473 1.00 0.00 H new ATOM 348 P DT B 12 -10.058 5.009 4.346 1.00 0.00 P ATOM 349 OP1 DT B 12 -11.408 5.381 3.869 1.00 0.00 O ATOM 350 OP2 DT B 12 -9.890 4.388 5.678 1.00 0.00 O ATOM 351 O5' DT B 12 -9.359 4.063 3.252 1.00 0.00 O ATOM 352 C5' DT B 12 -9.685 4.174 1.883 1.00 0.00 C ATOM 353 C4' DT B 12 -8.750 3.310 1.033 1.00 0.00 C ATOM 354 O4' DT B 12 -7.502 3.929 0.769 1.00 0.00 O ATOM 355 C3' DT B 12 -8.469 1.923 1.605 1.00 0.00 C ATOM 356 O3' DT B 12 -9.473 0.976 1.279 1.00 0.00 O ATOM 357 C2' DT B 12 -7.198 1.649 0.814 1.00 0.00 C ATOM 358 C1' DT B 12 -6.639 2.945 0.209 1.00 0.00 C ATOM 359 N1 DT B 12 -5.288 3.128 0.748 1.00 0.00 N ATOM 360 C2 DT B 12 -4.123 3.374 0.020 1.00 0.00 C ATOM 361 O2 DT B 12 -4.122 3.577 -1.190 1.00 0.00 O ATOM 362 N3 DT B 12 -2.942 3.373 0.768 1.00 0.00 N ATOM 363 C4 DT B 12 -2.856 3.160 2.137 1.00 0.00 C ATOM 364 O4 DT B 12 -1.777 3.207 2.715 1.00 0.00 O ATOM 365 C5 DT B 12 -4.132 2.888 2.768 1.00 0.00 C ATOM 366 C7 DT B 12 -4.338 2.575 4.207 1.00 0.00 C ATOM 367 C6 DT B 12 -5.255 2.885 2.061 1.00 0.00 C ATOM 0 H5' DT B 12 -9.611 5.215 1.570 1.00 0.00 H new ATOM 0 H5'' DT B 12 -10.718 3.866 1.724 1.00 0.00 H new ATOM 0 H4' DT B 12 -9.314 3.195 0.108 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.414 1.864 2.692 1.00 0.00 H new ATOM 0 H2' DT B 12 -6.451 1.195 1.465 1.00 0.00 H new ATOM 0 H2'' DT B 12 -7.407 0.932 0.020 1.00 0.00 H new ATOM 0 H1' DT B 12 -6.593 2.971 -0.880 1.00 0.00 H new ATOM 0 H3 DT B 12 -2.071 3.543 0.266 1.00 0.00 H new ATOM 0 H71 DT B 12 -5.321 2.928 4.519 1.00 0.00 H new ATOM 0 H72 DT B 12 -4.275 1.497 4.358 1.00 0.00 H new ATOM 0 H73 DT B 12 -3.570 3.070 4.801 1.00 0.00 H new ATOM 0 H6 DT B 12 -6.184 2.677 2.570 1.00 0.00 H new ATOM 380 P DA B 13 -9.269 -0.606 1.577 1.00 0.00 P ATOM 381 OP1 DA B 13 -10.418 -1.331 0.995 1.00 0.00 O ATOM 382 OP2 DA B 13 -8.956 -0.753 3.015 1.00 0.00 O ATOM 383 O5' DA B 13 -7.940 -0.986 0.731 1.00 0.00 O ATOM 384 C5' DA B 13 -7.916 -0.893 -0.682 1.00 0.00 C ATOM 385 C4' DA B 13 -6.500 -0.658 -1.276 1.00 0.00 C ATOM 386 O4' DA B 13 -5.401 -0.883 -0.429 1.00 0.00 O ATOM 387 C3' DA B 13 -6.413 -1.676 -2.410 1.00 0.00 C ATOM 388 O3' DA B 13 -5.679 -1.192 -3.514 1.00 0.00 O ATOM 389 C2' DA B 13 -5.703 -2.789 -1.619 1.00 0.00 C ATOM 390 C1' DA B 13 -4.638 -1.968 -0.915 1.00 0.00 C ATOM 391 N9 DA B 13 -4.098 -2.575 0.304 1.00 0.00 N ATOM 392 C8 DA B 13 -4.732 -2.624 1.514 1.00 0.00 C ATOM 393 N7 DA B 13 -3.963 -2.966 2.512 1.00 0.00 N ATOM 394 C5 DA B 13 -2.714 -3.106 1.910 1.00 0.00 C ATOM 395 C6 DA B 13 -1.425 -3.358 2.411 1.00 0.00 C ATOM 396 N6 DA B 13 -1.183 -3.545 3.706 1.00 0.00 N ATOM 397 N1 DA B 13 -0.385 -3.326 1.565 1.00 0.00 N ATOM 398 C2 DA B 13 -0.598 -3.064 0.282 1.00 0.00 C ATOM 399 N3 DA B 13 -1.753 -2.816 -0.316 1.00 0.00 N ATOM 400 C4 DA B 13 -2.782 -2.846 0.567 1.00 0.00 C ATOM 0 H5' DA B 13 -8.569 -0.078 -0.993 1.00 0.00 H new ATOM 0 H5'' DA B 13 -8.328 -1.810 -1.103 1.00 0.00 H new ATOM 0 H4' DA B 13 -6.422 0.397 -1.537 1.00 0.00 H new ATOM 0 H3' DA B 13 -7.348 -1.966 -2.890 1.00 0.00 H new ATOM 0 H2' DA B 13 -6.370 -3.295 -0.921 1.00 0.00 H new ATOM 0 H2'' DA B 13 -5.278 -3.556 -2.267 1.00 0.00 H new ATOM 0 H1' DA B 13 -3.805 -1.789 -1.595 1.00 0.00 H new ATOM 0 H8 DA B 13 -5.781 -2.399 1.634 1.00 0.00 H new ATOM 0 H61 DA B 13 -0.231 -3.725 4.026 1.00 0.00 H new ATOM 0 H62 DA B 13 -1.949 -3.508 4.378 1.00 0.00 H new ATOM 0 H2 DA B 13 0.277 -3.051 -0.351 1.00 0.00 H new ATOM 412 P DC B 14 -5.597 -2.042 -4.883 1.00 0.00 P ATOM 413 OP1 DC B 14 -5.425 -1.090 -6.001 1.00 0.00 O ATOM 414 OP2 DC B 14 -6.728 -2.996 -4.904 1.00 0.00 O ATOM 415 O5' DC B 14 -4.239 -2.884 -4.702 1.00 0.00 O ATOM 416 C5' DC B 14 -2.999 -2.260 -4.938 1.00 0.00 C ATOM 417 C4' DC B 14 -1.812 -3.205 -4.752 1.00 0.00 C ATOM 418 O4' DC B 14 -1.636 -3.533 -3.367 1.00 0.00 O ATOM 419 C3' DC B 14 -1.955 -4.543 -5.500 1.00 0.00 C ATOM 420 O3' DC B 14 -0.921 -4.648 -6.469 1.00 0.00 O ATOM 421 C2' DC B 14 -1.847 -5.595 -4.399 1.00 0.00 C ATOM 422 C1' DC B 14 -1.235 -4.896 -3.199 1.00 0.00 C ATOM 423 N1 DC B 14 -1.697 -5.524 -1.939 1.00 0.00 N ATOM 424 C2 DC B 14 -0.758 -6.040 -1.058 1.00 0.00 C ATOM 425 O2 DC B 14 0.399 -6.263 -1.394 1.00 0.00 O ATOM 426 N3 DC B 14 -1.117 -6.310 0.217 1.00 0.00 N ATOM 427 C4 DC B 14 -2.386 -6.171 0.598 1.00 0.00 C ATOM 428 N4 DC B 14 -2.612 -6.284 1.901 1.00 0.00 N ATOM 429 C5 DC B 14 -3.417 -5.785 -0.331 1.00 0.00 C ATOM 430 C6 DC B 14 -3.011 -5.496 -1.590 1.00 0.00 C ATOM 0 H5' DC B 14 -2.891 -1.412 -4.262 1.00 0.00 H new ATOM 0 H5'' DC B 14 -2.985 -1.863 -5.953 1.00 0.00 H new ATOM 0 H4' DC B 14 -0.962 -2.659 -5.160 1.00 0.00 H new ATOM 0 H3' DC B 14 -2.889 -4.654 -6.050 1.00 0.00 H new ATOM 0 H2' DC B 14 -2.828 -6.002 -4.153 1.00 0.00 H new ATOM 0 H2'' DC B 14 -1.226 -6.431 -4.720 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.149 -4.970 -3.136 1.00 0.00 H new ATOM 0 H41 DC B 14 -3.560 -6.189 2.264 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.837 -6.466 2.539 1.00 0.00 H new ATOM 0 H5 DC B 14 -4.455 -5.729 -0.040 1.00 0.00 H new ATOM 0 H6 DC B 14 -3.749 -5.237 -2.335 1.00 0.00 H new ATOM 442 P DG B 15 -0.710 -5.964 -7.393 1.00 0.00 P ATOM 443 OP1 DG B 15 -0.142 -5.522 -8.684 1.00 0.00 O ATOM 444 OP2 DG B 15 -1.966 -6.745 -7.375 1.00 0.00 O ATOM 445 O5' DG B 15 0.421 -6.810 -6.598 1.00 0.00 O ATOM 446 C5' DG B 15 1.738 -6.306 -6.492 1.00 0.00 C ATOM 447 C4' DG B 15 2.715 -7.251 -5.782 1.00 0.00 C ATOM 448 O4' DG B 15 2.294 -7.506 -4.455 1.00 0.00 O ATOM 449 C3' DG B 15 2.869 -8.605 -6.481 1.00 0.00 C ATOM 450 O3' DG B 15 4.252 -8.924 -6.448 1.00 0.00 O ATOM 451 C2' DG B 15 1.974 -9.497 -5.636 1.00 0.00 C ATOM 452 C1' DG B 15 2.171 -8.903 -4.249 1.00 0.00 C ATOM 453 N9 DG B 15 1.073 -9.117 -3.285 1.00 0.00 N ATOM 454 C8 DG B 15 -0.278 -9.011 -3.478 1.00 0.00 C ATOM 455 N7 DG B 15 -0.983 -9.092 -2.382 1.00 0.00 N ATOM 456 C5 DG B 15 -0.025 -9.242 -1.378 1.00 0.00 C ATOM 457 C6 DG B 15 -0.155 -9.351 0.042 1.00 0.00 C ATOM 458 O6 DG B 15 -1.183 -9.438 0.708 1.00 0.00 O ATOM 459 N1 DG B 15 1.070 -9.355 0.698 1.00 0.00 N ATOM 460 C2 DG B 15 2.282 -9.367 0.059 1.00 0.00 C ATOM 461 N2 DG B 15 3.383 -9.428 0.798 1.00 0.00 N ATOM 462 N3 DG B 15 2.418 -9.328 -1.269 1.00 0.00 N ATOM 463 C4 DG B 15 1.233 -9.236 -1.926 1.00 0.00 C ATOM 0 H5' DG B 15 1.711 -5.358 -5.954 1.00 0.00 H new ATOM 0 H5'' DG B 15 2.116 -6.094 -7.492 1.00 0.00 H new ATOM 0 H4' DG B 15 3.675 -6.735 -5.803 1.00 0.00 H new ATOM 0 H3' DG B 15 2.581 -8.678 -7.530 1.00 0.00 H new ATOM 0 H2' DG B 15 0.933 -9.454 -5.956 1.00 0.00 H new ATOM 0 H2'' DG B 15 2.278 -10.543 -5.681 1.00 0.00 H new ATOM 0 H1' DG B 15 3.035 -9.398 -3.805 1.00 0.00 H new ATOM 0 H8 DG B 15 -0.722 -8.872 -4.453 1.00 0.00 H new ATOM 0 H1 DG B 15 1.067 -9.349 1.718 1.00 0.00 H new ATOM 0 H21 DG B 15 4.299 -9.438 0.349 1.00 0.00 H new ATOM 0 H22 DG B 15 3.313 -9.465 1.815 1.00 0.00 H new ATOM 475 P DC B 16 4.865 -10.266 -7.089 1.00 0.00 P ATOM 476 OP1 DC B 16 6.242 -9.974 -7.541 1.00 0.00 O ATOM 477 OP2 DC B 16 3.876 -10.812 -8.044 1.00 0.00 O ATOM 478 O5' DC B 16 4.935 -11.249 -5.819 1.00 0.00 O ATOM 479 C5' DC B 16 5.979 -11.170 -4.866 1.00 0.00 C ATOM 480 C4' DC B 16 5.674 -12.096 -3.680 1.00 0.00 C ATOM 481 O4' DC B 16 4.556 -11.576 -2.968 1.00 0.00 O ATOM 482 C3' DC B 16 5.304 -13.522 -4.138 1.00 0.00 C ATOM 483 O3' DC B 16 5.867 -14.506 -3.295 1.00 0.00 O ATOM 484 C2' DC B 16 3.788 -13.476 -4.009 1.00 0.00 C ATOM 485 C1' DC B 16 3.699 -12.666 -2.712 1.00 0.00 C ATOM 486 N1 DC B 16 2.332 -12.330 -2.268 1.00 0.00 N ATOM 487 C2 DC B 16 1.990 -12.393 -0.916 1.00 0.00 C ATOM 488 O2 DC B 16 2.843 -12.424 -0.030 1.00 0.00 O ATOM 489 N3 DC B 16 0.670 -12.420 -0.569 1.00 0.00 N ATOM 490 C4 DC B 16 -0.279 -12.441 -1.515 1.00 0.00 C ATOM 491 N4 DC B 16 -1.552 -12.443 -1.149 1.00 0.00 N ATOM 492 C5 DC B 16 0.063 -12.398 -2.902 1.00 0.00 C ATOM 493 C6 DC B 16 1.361 -12.320 -3.203 1.00 0.00 C ATOM 0 H5' DC B 16 6.089 -10.143 -4.518 1.00 0.00 H new ATOM 0 H5'' DC B 16 6.926 -11.453 -5.326 1.00 0.00 H new ATOM 0 H4' DC B 16 6.571 -12.144 -3.062 1.00 0.00 H new ATOM 0 H3' DC B 16 5.667 -13.784 -5.132 1.00 0.00 H new ATOM 0 H2' DC B 16 3.306 -12.981 -4.852 1.00 0.00 H new ATOM 0 H2'' DC B 16 3.340 -14.466 -3.922 1.00 0.00 H new ATOM 0 HO3' DC B 16 5.610 -15.396 -3.614 1.00 0.00 H new ATOM 0 H1' DC B 16 4.012 -13.234 -1.836 1.00 0.00 H new ATOM 0 H41 DC B 16 -2.286 -12.459 -1.857 1.00 0.00 H new ATOM 0 H42 DC B 16 -1.798 -12.429 -0.159 1.00 0.00 H new ATOM 0 H5 DC B 16 -0.694 -12.427 -3.671 1.00 0.00 H new ATOM 0 H6 DC B 16 1.646 -12.246 -4.242 1.00 0.00 H new TER 506 DC B 16 HETATM 507 O1 PSO A 9 -0.772 0.263 -0.436 1.00 0.00 O HETATM 508 C2 PSO A 9 -2.026 0.366 -0.187 1.00 0.00 C HETATM 509 C3 PSO A 9 -2.566 0.291 1.107 1.00 0.00 C HETATM 510 C4 PSO A 9 -1.700 0.085 2.172 1.00 0.00 C HETATM 511 C5 PSO A 9 0.623 0.034 2.915 1.00 0.00 C HETATM 512 C6 PSO A 9 1.981 0.122 2.589 1.00 0.00 C HETATM 513 C7 PSO A 9 2.384 0.129 1.299 1.00 0.00 C HETATM 514 C8 PSO A 9 1.436 0.071 0.255 1.00 0.00 C HETATM 515 C9 PSO A 9 0.053 0.156 0.552 1.00 0.00 C HETATM 516 C10 PSO A 9 -0.334 0.093 1.885 1.00 0.00 C HETATM 517 C4' PSO A 9 3.138 -0.077 3.528 1.00 0.00 C HETATM 518 C5' PSO A 9 4.220 -0.081 2.464 1.00 0.00 C HETATM 519 O6' PSO A 9 3.630 0.124 1.159 1.00 0.00 O HETATM 520 O11 PSO A 9 -2.796 0.539 -1.128 1.00 0.00 O HETATM 521 C12 PSO A 9 -2.213 -0.136 3.576 1.00 0.00 C HETATM 522 C13 PSO A 9 3.170 0.934 4.698 1.00 0.00 C HETATM 523 O14 PSO A 9 2.365 2.076 4.475 1.00 0.00 O HETATM 524 C15 PSO A 9 5.319 0.837 2.938 1.00 0.00 C HETATM 525 C16 PSO A 9 1.894 -0.087 -1.184 1.00 0.00 C HETATM 0 H163 PSO A 9 2.532 0.753 -1.457 1.00 0.00 H new HETATM 0 H162 PSO A 9 2.454 -1.016 -1.288 1.00 0.00 H new HETATM 0 H161 PSO A 9 1.025 -0.112 -1.842 1.00 0.00 H new HETATM 0 H153 PSO A 9 4.920 1.842 3.074 1.00 0.00 H new HETATM 0 H152 PSO A 9 5.714 0.472 3.886 1.00 0.00 H new HETATM 0 H151 PSO A 9 6.118 0.861 2.197 1.00 0.00 H new HETATM 0 H132 PSO A 9 2.837 0.436 5.608 1.00 0.00 H new HETATM 0 H131 PSO A 9 4.199 1.251 4.867 1.00 0.00 H new HETATM 0 H123 PSO A 9 -2.793 0.731 3.892 1.00 0.00 H new HETATM 0 H122 PSO A 9 -2.846 -1.023 3.597 1.00 0.00 H new HETATM 0 H121 PSO A 9 -1.371 -0.276 4.253 1.00 0.00 H new HETATM 0 H5 PSO A 9 0.311 -0.079 3.953 1.00 0.00 H new HETATM 0 H3 PSO A 9 -3.639 0.392 1.271 1.00 0.00 H new HETATM 0 H14 PSO A 9 2.425 2.675 5.248 1.00 0.00 H new