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= -0.421 USER MOD Single : B 9 DG O5' : rot -31:sc= 0.0336 USER MOD Single : B 12 DT C7 :methyl 150:sc= -1.51 (180deg=-1.51) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -0.640 -12.626 9.396 1.00 0.00 O ATOM 2 C5' DG A 1 -0.374 -11.243 9.441 1.00 0.00 C ATOM 3 C4' DG A 1 1.070 -11.007 8.989 1.00 0.00 C ATOM 4 O4' DG A 1 1.228 -11.524 7.674 1.00 0.00 O ATOM 5 C3' DG A 1 1.410 -9.517 8.930 1.00 0.00 C ATOM 6 O3' DG A 1 2.800 -9.368 9.153 1.00 0.00 O ATOM 7 C2' DG A 1 0.990 -9.184 7.503 1.00 0.00 C ATOM 8 C1' DG A 1 1.380 -10.457 6.749 1.00 0.00 C ATOM 9 N9 DG A 1 0.535 -10.707 5.557 1.00 0.00 N ATOM 10 C8 DG A 1 -0.834 -10.738 5.475 1.00 0.00 C ATOM 11 N7 DG A 1 -1.296 -11.035 4.295 1.00 0.00 N ATOM 12 C5 DG A 1 -0.151 -11.242 3.533 1.00 0.00 C ATOM 13 C6 DG A 1 -0.010 -11.595 2.157 1.00 0.00 C ATOM 14 O6 DG A 1 -0.893 -11.786 1.325 1.00 0.00 O ATOM 15 N1 DG A 1 1.314 -11.724 1.770 1.00 0.00 N ATOM 16 C2 DG A 1 2.386 -11.506 2.602 1.00 0.00 C ATOM 17 N2 DG A 1 3.609 -11.650 2.104 1.00 0.00 N ATOM 18 N3 DG A 1 2.269 -11.154 3.887 1.00 0.00 N ATOM 19 C4 DG A 1 0.975 -11.047 4.296 1.00 0.00 C ATOM 0 H5' DG A 1 -0.521 -10.862 10.452 1.00 0.00 H new ATOM 0 H5'' DG A 1 -1.066 -10.704 8.794 1.00 0.00 H new ATOM 0 H4' DG A 1 1.726 -11.498 9.708 1.00 0.00 H new ATOM 0 H3' DG A 1 0.929 -8.871 9.665 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.078 -8.978 7.430 1.00 0.00 H new ATOM 0 H2'' DG A 1 1.511 -8.307 7.119 1.00 0.00 H new ATOM 0 HO5' DG A 1 -0.170 -13.025 8.634 1.00 0.00 H new ATOM 0 H1' DG A 1 2.400 -10.361 6.377 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.475 -10.533 6.320 1.00 0.00 H new ATOM 0 H1 DG A 1 1.505 -11.998 0.806 1.00 0.00 H new ATOM 0 H21 DG A 1 4.423 -11.495 2.698 1.00 0.00 H new ATOM 0 H22 DG A 1 3.734 -11.916 1.127 1.00 0.00 H new ATOM 32 P DC A 2 3.529 -7.930 9.195 1.00 0.00 P ATOM 33 OP1 DC A 2 4.488 -7.934 10.319 1.00 0.00 O ATOM 34 OP2 DC A 2 2.493 -6.876 9.115 1.00 0.00 O ATOM 35 O5' DC A 2 4.354 -7.926 7.812 1.00 0.00 O ATOM 36 C5' DC A 2 5.433 -8.819 7.624 1.00 0.00 C ATOM 37 C4' DC A 2 6.079 -8.615 6.252 1.00 0.00 C ATOM 38 O4' DC A 2 5.162 -8.935 5.227 1.00 0.00 O ATOM 39 C3' DC A 2 6.547 -7.173 6.025 1.00 0.00 C ATOM 40 O3' DC A 2 7.901 -7.275 5.628 1.00 0.00 O ATOM 41 C2' DC A 2 5.577 -6.638 4.957 1.00 0.00 C ATOM 42 C1' DC A 2 5.150 -7.917 4.244 1.00 0.00 C ATOM 43 N1 DC A 2 3.764 -7.879 3.703 1.00 0.00 N ATOM 44 C2 DC A 2 3.536 -8.311 2.400 1.00 0.00 C ATOM 45 O2 DC A 2 4.470 -8.563 1.644 1.00 0.00 O ATOM 46 N3 DC A 2 2.257 -8.458 1.951 1.00 0.00 N ATOM 47 C4 DC A 2 1.230 -8.162 2.756 1.00 0.00 C ATOM 48 N4 DC A 2 0.001 -8.398 2.318 1.00 0.00 N ATOM 49 C5 DC A 2 1.424 -7.759 4.113 1.00 0.00 C ATOM 50 C6 DC A 2 2.702 -7.639 4.536 1.00 0.00 C ATOM 0 H5' DC A 2 5.080 -9.846 7.715 1.00 0.00 H new ATOM 0 H5'' DC A 2 6.176 -8.667 8.407 1.00 0.00 H new ATOM 0 H4' DC A 2 6.947 -9.273 6.226 1.00 0.00 H new ATOM 0 H3' DC A 2 6.525 -6.490 6.874 1.00 0.00 H new ATOM 0 H2' DC A 2 4.729 -6.116 5.401 1.00 0.00 H new ATOM 0 H2'' DC A 2 6.063 -5.936 4.279 1.00 0.00 H new ATOM 0 H1' DC A 2 5.827 -8.069 3.403 1.00 0.00 H new ATOM 0 H41 DC A 2 -0.801 -8.182 2.910 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.142 -8.795 1.389 1.00 0.00 H new ATOM 0 H5 DC A 2 0.590 -7.560 4.769 1.00 0.00 H new ATOM 0 H6 DC A 2 2.892 -7.346 5.558 1.00 0.00 H new ATOM 62 P DG A 3 8.860 -5.998 5.489 1.00 0.00 P ATOM 63 OP1 DG A 3 10.257 -6.473 5.409 1.00 0.00 O ATOM 64 OP2 DG A 3 8.471 -5.003 6.512 1.00 0.00 O ATOM 65 O5' DG A 3 8.405 -5.462 4.054 1.00 0.00 O ATOM 66 C5' DG A 3 8.667 -6.203 2.881 1.00 0.00 C ATOM 67 C4' DG A 3 8.008 -5.508 1.691 1.00 0.00 C ATOM 68 O4' DG A 3 6.668 -5.857 1.477 1.00 0.00 O ATOM 69 C3' DG A 3 8.035 -3.986 1.799 1.00 0.00 C ATOM 70 O3' DG A 3 8.416 -3.488 0.555 1.00 0.00 O ATOM 71 C2' DG A 3 6.586 -3.693 2.105 1.00 0.00 C ATOM 72 C1' DG A 3 5.983 -4.676 1.113 1.00 0.00 C ATOM 73 N9 DG A 3 4.575 -4.981 1.232 1.00 0.00 N ATOM 74 C8 DG A 3 3.837 -4.793 2.328 1.00 0.00 C ATOM 75 N7 DG A 3 2.595 -5.167 2.230 1.00 0.00 N ATOM 76 C5 DG A 3 2.517 -5.609 0.905 1.00 0.00 C ATOM 77 C6 DG A 3 1.401 -6.017 0.120 1.00 0.00 C ATOM 78 O6 DG A 3 0.245 -6.209 0.482 1.00 0.00 O ATOM 79 N1 DG A 3 1.732 -6.203 -1.211 1.00 0.00 N ATOM 80 C2 DG A 3 3.009 -6.153 -1.714 1.00 0.00 C ATOM 81 N2 DG A 3 3.200 -6.434 -2.996 1.00 0.00 N ATOM 82 N3 DG A 3 4.075 -5.839 -0.979 1.00 0.00 N ATOM 83 C4 DG A 3 3.748 -5.539 0.301 1.00 0.00 C ATOM 0 H5' DG A 3 8.282 -7.218 2.984 1.00 0.00 H new ATOM 0 H5'' DG A 3 9.742 -6.285 2.720 1.00 0.00 H new ATOM 0 H4' DG A 3 8.615 -5.859 0.857 1.00 0.00 H new ATOM 0 H3' DG A 3 8.715 -3.555 2.534 1.00 0.00 H new ATOM 0 H2' DG A 3 6.314 -3.905 3.139 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.306 -2.658 1.908 1.00 0.00 H new ATOM 0 H1' DG A 3 6.077 -4.269 0.106 1.00 0.00 H new ATOM 0 H8 DG A 3 4.242 -4.361 3.231 1.00 0.00 H new ATOM 0 H1 DG A 3 0.973 -6.391 -1.866 1.00 0.00 H new ATOM 0 H21 DG A 3 4.140 -6.403 -3.390 1.00 0.00 H new ATOM 0 H22 DG A 3 2.407 -6.681 -3.588 1.00 0.00 H new ATOM 95 P DT A 4 9.929 -3.498 0.045 1.00 0.00 P ATOM 96 OP1 DT A 4 10.104 -4.640 -0.876 1.00 0.00 O ATOM 97 OP2 DT A 4 10.814 -3.332 1.217 1.00 0.00 O ATOM 98 O5' DT A 4 9.859 -2.130 -0.768 1.00 0.00 O ATOM 99 C5' DT A 4 8.725 -1.817 -1.551 1.00 0.00 C ATOM 100 C4' DT A 4 7.546 -1.188 -0.765 1.00 0.00 C ATOM 101 O4' DT A 4 6.431 -2.076 -0.643 1.00 0.00 O ATOM 102 C3' DT A 4 7.764 -0.688 0.694 1.00 0.00 C ATOM 103 O3' DT A 4 9.014 0.001 0.889 1.00 0.00 O ATOM 104 C2' DT A 4 6.254 -0.368 0.737 1.00 0.00 C ATOM 105 C1' DT A 4 5.398 -1.275 -0.109 1.00 0.00 C ATOM 106 N1 DT A 4 4.199 -1.831 0.655 1.00 0.00 N ATOM 107 C2 DT A 4 3.203 -2.474 -0.072 1.00 0.00 C ATOM 108 O2 DT A 4 3.393 -2.858 -1.220 1.00 0.00 O ATOM 109 N3 DT A 4 1.973 -2.681 0.524 1.00 0.00 N ATOM 110 C4 DT A 4 1.567 -2.342 1.795 1.00 0.00 C ATOM 111 O4 DT A 4 0.497 -2.756 2.233 1.00 0.00 O ATOM 112 C5 DT A 4 2.466 -1.446 2.643 1.00 0.00 C ATOM 113 C7 DT A 4 2.675 -1.952 4.072 1.00 0.00 C ATOM 114 C6 DT A 4 3.793 -1.140 1.945 1.00 0.00 C ATOM 0 H5' DT A 4 8.374 -2.727 -2.038 1.00 0.00 H new ATOM 0 H5'' DT A 4 9.025 -1.129 -2.341 1.00 0.00 H new ATOM 0 H4' DT A 4 7.396 -0.316 -1.402 1.00 0.00 H new ATOM 0 H3' DT A 4 8.070 -1.134 1.640 1.00 0.00 H new ATOM 0 H2' DT A 4 5.912 -0.427 1.770 1.00 0.00 H new ATOM 0 H2'' DT A 4 6.104 0.661 0.410 1.00 0.00 H new ATOM 0 H1' DT A 4 4.787 -0.883 -0.922 1.00 0.00 H new ATOM 0 H3 DT A 4 1.274 -3.147 -0.055 1.00 0.00 H new ATOM 0 H71 DT A 4 3.655 -1.637 4.430 1.00 0.00 H new ATOM 0 H72 DT A 4 1.902 -1.540 4.721 1.00 0.00 H new ATOM 0 H73 DT A 4 2.617 -3.040 4.085 1.00 0.00 H new ATOM 0 H6 DT A 4 4.460 -0.412 2.382 1.00 0.00 H new ATOM 127 P DA A 5 9.797 1.073 -0.076 1.00 0.00 P ATOM 128 OP1 DA A 5 11.032 0.419 -0.556 1.00 0.00 O ATOM 129 OP2 DA A 5 9.898 2.340 0.680 1.00 0.00 O ATOM 130 O5' DA A 5 8.872 1.361 -1.356 1.00 0.00 O ATOM 131 C5' DA A 5 7.720 2.144 -1.202 1.00 0.00 C ATOM 132 C4' DA A 5 6.688 1.860 -2.309 1.00 0.00 C ATOM 133 O4' DA A 5 5.389 1.603 -1.787 1.00 0.00 O ATOM 134 C3' DA A 5 6.617 3.013 -3.276 1.00 0.00 C ATOM 135 O3' DA A 5 6.404 2.634 -4.625 1.00 0.00 O ATOM 136 C2' DA A 5 5.447 3.699 -2.672 1.00 0.00 C ATOM 137 C1' DA A 5 4.524 2.673 -2.106 1.00 0.00 C ATOM 138 N9 DA A 5 3.915 3.218 -0.872 1.00 0.00 N ATOM 139 C8 DA A 5 4.555 3.807 0.183 1.00 0.00 C ATOM 140 N7 DA A 5 3.790 4.212 1.151 1.00 0.00 N ATOM 141 C5 DA A 5 2.526 3.895 0.672 1.00 0.00 C ATOM 142 C6 DA A 5 1.239 4.091 1.187 1.00 0.00 C ATOM 143 N6 DA A 5 1.030 4.498 2.432 1.00 0.00 N ATOM 144 N1 DA A 5 0.196 3.923 0.366 1.00 0.00 N ATOM 145 C2 DA A 5 0.433 3.479 -0.858 1.00 0.00 C ATOM 146 N3 DA A 5 1.571 3.169 -1.444 1.00 0.00 N ATOM 147 C4 DA A 5 2.593 3.397 -0.602 1.00 0.00 C ATOM 0 H5' DA A 5 7.992 3.199 -1.220 1.00 0.00 H new ATOM 0 H5'' DA A 5 7.273 1.946 -0.228 1.00 0.00 H new ATOM 0 H4' DA A 5 7.026 0.962 -2.827 1.00 0.00 H new ATOM 0 H3' DA A 5 7.531 3.598 -3.375 1.00 0.00 H new ATOM 0 H2' DA A 5 5.774 4.384 -1.890 1.00 0.00 H new ATOM 0 H2'' DA A 5 4.931 4.296 -3.424 1.00 0.00 H new ATOM 0 H1' DA A 5 3.716 2.379 -2.776 1.00 0.00 H new ATOM 0 H8 DA A 5 5.628 3.928 0.210 1.00 0.00 H new ATOM 0 H61 DA A 5 0.078 4.630 2.772 1.00 0.00 H new ATOM 0 H62 DA A 5 1.822 4.679 3.049 1.00 0.00 H new ATOM 0 H2 DA A 5 -0.445 3.351 -1.473 1.00 0.00 H new ATOM 159 P DC A 6 6.417 3.721 -5.827 1.00 0.00 P ATOM 160 OP1 DC A 6 6.320 2.983 -7.105 1.00 0.00 O ATOM 161 OP2 DC A 6 7.562 4.626 -5.590 1.00 0.00 O ATOM 162 O5' DC A 6 5.056 4.575 -5.629 1.00 0.00 O ATOM 163 C5' DC A 6 3.795 4.038 -5.976 1.00 0.00 C ATOM 164 C4' DC A 6 2.632 4.906 -5.469 1.00 0.00 C ATOM 165 O4' DC A 6 2.489 4.855 -4.054 1.00 0.00 O ATOM 166 C3' DC A 6 2.716 6.404 -5.834 1.00 0.00 C ATOM 167 O3' DC A 6 1.656 6.703 -6.731 1.00 0.00 O ATOM 168 C2' DC A 6 2.549 7.059 -4.459 1.00 0.00 C ATOM 169 C1' DC A 6 1.744 6.011 -3.717 1.00 0.00 C ATOM 170 N1 DC A 6 1.691 6.341 -2.270 1.00 0.00 N ATOM 171 C2 DC A 6 0.465 6.694 -1.694 1.00 0.00 C ATOM 172 O2 DC A 6 -0.587 6.673 -2.331 1.00 0.00 O ATOM 173 N3 DC A 6 0.423 7.073 -0.388 1.00 0.00 N ATOM 174 C4 DC A 6 1.552 7.163 0.315 1.00 0.00 C ATOM 175 N4 DC A 6 1.482 7.456 1.604 1.00 0.00 N ATOM 176 C5 DC A 6 2.808 6.781 -0.239 1.00 0.00 C ATOM 177 C6 DC A 6 2.837 6.371 -1.520 1.00 0.00 C ATOM 0 H5' DC A 6 3.704 3.034 -5.562 1.00 0.00 H new ATOM 0 H5'' DC A 6 3.729 3.943 -7.060 1.00 0.00 H new ATOM 0 H4' DC A 6 1.779 4.462 -5.983 1.00 0.00 H new ATOM 0 H3' DC A 6 3.625 6.736 -6.336 1.00 0.00 H new ATOM 0 H2' DC A 6 3.508 7.254 -3.979 1.00 0.00 H new ATOM 0 H2'' DC A 6 2.023 8.012 -4.520 1.00 0.00 H new ATOM 0 H1' DC A 6 0.689 5.911 -3.972 1.00 0.00 H new ATOM 0 H41 DC A 6 2.336 7.529 2.158 1.00 0.00 H new ATOM 0 H42 DC A 6 0.574 7.609 2.044 1.00 0.00 H new ATOM 0 H5 DC A 6 3.711 6.820 0.352 1.00 0.00 H new ATOM 0 H6 DC A 6 3.773 6.062 -1.961 1.00 0.00 H new ATOM 189 P DG A 7 1.281 8.205 -7.207 1.00 0.00 P ATOM 190 OP1 DG A 7 0.938 8.149 -8.644 1.00 0.00 O ATOM 191 OP2 DG A 7 2.345 9.124 -6.746 1.00 0.00 O ATOM 192 O5' DG A 7 -0.068 8.522 -6.368 1.00 0.00 O ATOM 193 C5' DG A 7 -1.254 7.803 -6.648 1.00 0.00 C ATOM 194 C4' DG A 7 -2.494 8.278 -5.878 1.00 0.00 C ATOM 195 O4' DG A 7 -2.232 8.244 -4.486 1.00 0.00 O ATOM 196 C3' DG A 7 -2.931 9.707 -6.226 1.00 0.00 C ATOM 197 O3' DG A 7 -4.348 9.767 -6.173 1.00 0.00 O ATOM 198 C2' DG A 7 -2.243 10.484 -5.122 1.00 0.00 C ATOM 199 C1' DG A 7 -2.440 9.534 -3.943 1.00 0.00 C ATOM 200 N9 DG A 7 -1.477 9.770 -2.853 1.00 0.00 N ATOM 201 C8 DG A 7 -0.120 9.907 -2.950 1.00 0.00 C ATOM 202 N7 DG A 7 0.484 10.058 -1.805 1.00 0.00 N ATOM 203 C5 DG A 7 -0.551 9.975 -0.872 1.00 0.00 C ATOM 204 C6 DG A 7 -0.529 10.017 0.556 1.00 0.00 C ATOM 205 O6 DG A 7 0.419 10.253 1.297 1.00 0.00 O ATOM 206 N1 DG A 7 -1.767 9.748 1.123 1.00 0.00 N ATOM 207 C2 DG A 7 -2.922 9.590 0.406 1.00 0.00 C ATOM 208 N2 DG A 7 -4.054 9.388 1.071 1.00 0.00 N ATOM 209 N3 DG A 7 -2.973 9.623 -0.929 1.00 0.00 N ATOM 210 C4 DG A 7 -1.751 9.776 -1.506 1.00 0.00 C ATOM 0 H5' DG A 7 -1.085 6.750 -6.422 1.00 0.00 H new ATOM 0 H5'' DG A 7 -1.459 7.871 -7.716 1.00 0.00 H new ATOM 0 H4' DG A 7 -3.297 7.600 -6.166 1.00 0.00 H new ATOM 0 H3' DG A 7 -2.672 10.082 -7.216 1.00 0.00 H new ATOM 0 H2' DG A 7 -1.190 10.664 -5.337 1.00 0.00 H new ATOM 0 H2'' DG A 7 -2.704 11.457 -4.951 1.00 0.00 H new ATOM 0 H1' DG A 7 -3.427 9.671 -3.501 1.00 0.00 H new ATOM 0 H8 DG A 7 0.406 9.891 -3.893 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.819 9.663 2.138 1.00 0.00 H new ATOM 0 H21 DG A 7 -4.930 9.267 0.562 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.047 9.354 2.090 1.00 0.00 H new ATOM 222 P DC A 8 -5.183 11.092 -6.569 1.00 0.00 P ATOM 223 OP1 DC A 8 -6.324 10.677 -7.412 1.00 0.00 O ATOM 224 OP2 DC A 8 -4.230 12.105 -7.073 1.00 0.00 O ATOM 225 O5' DC A 8 -5.747 11.599 -5.148 1.00 0.00 O ATOM 226 C5' DC A 8 -6.898 11.011 -4.573 1.00 0.00 C ATOM 227 C4' DC A 8 -7.081 11.503 -3.135 1.00 0.00 C ATOM 228 O4' DC A 8 -5.953 11.167 -2.356 1.00 0.00 O ATOM 229 C3' DC A 8 -7.198 13.019 -2.999 1.00 0.00 C ATOM 230 O3' DC A 8 -8.497 13.482 -3.294 1.00 0.00 O ATOM 231 C2' DC A 8 -6.844 13.207 -1.529 1.00 0.00 C ATOM 232 C1' DC A 8 -5.930 12.013 -1.215 1.00 0.00 C ATOM 233 N1 DC A 8 -4.535 12.448 -0.933 1.00 0.00 N ATOM 234 C2 DC A 8 -4.145 12.618 0.392 1.00 0.00 C ATOM 235 O2 DC A 8 -4.958 12.528 1.309 1.00 0.00 O ATOM 236 N3 DC A 8 -2.840 12.888 0.676 1.00 0.00 N ATOM 237 C4 DC A 8 -1.956 13.038 -0.315 1.00 0.00 C ATOM 238 N4 DC A 8 -0.681 13.217 0.005 1.00 0.00 N ATOM 239 C5 DC A 8 -2.335 12.925 -1.691 1.00 0.00 C ATOM 240 C6 DC A 8 -3.629 12.625 -1.946 1.00 0.00 C ATOM 0 H5' DC A 8 -6.805 9.925 -4.584 1.00 0.00 H new ATOM 0 H5'' DC A 8 -7.778 11.262 -5.166 1.00 0.00 H new ATOM 0 H4' DC A 8 -8.005 11.027 -2.808 1.00 0.00 H new ATOM 0 H3' DC A 8 -6.565 13.579 -3.688 1.00 0.00 H new ATOM 0 H2' DC A 8 -6.335 14.156 -1.359 1.00 0.00 H new ATOM 0 H2'' DC A 8 -7.734 13.205 -0.900 1.00 0.00 H new ATOM 0 HO3' DC A 8 -8.528 14.456 -3.193 1.00 0.00 H new ATOM 0 H1' DC A 8 -6.285 11.496 -0.323 1.00 0.00 H new ATOM 0 H41 DC A 8 0.017 13.334 -0.729 1.00 0.00 H new ATOM 0 H42 DC A 8 -0.399 13.237 0.985 1.00 0.00 H new ATOM 0 H5 DC A 8 -1.621 13.072 -2.488 1.00 0.00 H new ATOM 0 H6 DC A 8 -3.955 12.523 -2.970 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 9 -0.013 13.525 9.900 1.00 0.00 O ATOM 255 C5' DG B 9 0.211 12.170 10.215 1.00 0.00 C ATOM 256 C4' DG B 9 -1.135 11.439 10.218 1.00 0.00 C ATOM 257 O4' DG B 9 -1.789 11.586 8.966 1.00 0.00 O ATOM 258 C3' DG B 9 -0.990 9.931 10.408 1.00 0.00 C ATOM 259 O3' DG B 9 -2.234 9.495 10.924 1.00 0.00 O ATOM 260 C2' DG B 9 -0.681 9.488 8.974 1.00 0.00 C ATOM 261 C1' DG B 9 -1.491 10.477 8.128 1.00 0.00 C ATOM 262 N9 DG B 9 -0.821 10.989 6.905 1.00 0.00 N ATOM 263 C8 DG B 9 0.510 11.231 6.661 1.00 0.00 C ATOM 264 N7 DG B 9 0.755 11.775 5.504 1.00 0.00 N ATOM 265 C5 DG B 9 -0.502 11.914 4.927 1.00 0.00 C ATOM 266 C6 DG B 9 -0.884 12.421 3.648 1.00 0.00 C ATOM 267 O6 DG B 9 -0.169 12.915 2.780 1.00 0.00 O ATOM 268 N1 DG B 9 -2.245 12.317 3.412 1.00 0.00 N ATOM 269 C2 DG B 9 -3.151 11.846 4.332 1.00 0.00 C ATOM 270 N2 DG B 9 -4.433 11.807 3.991 1.00 0.00 N ATOM 271 N3 DG B 9 -2.811 11.395 5.545 1.00 0.00 N ATOM 272 C4 DG B 9 -1.472 11.443 5.778 1.00 0.00 C ATOM 0 H5' DG B 9 0.691 12.083 11.190 1.00 0.00 H new ATOM 0 H5'' DG B 9 0.885 11.719 9.487 1.00 0.00 H new ATOM 0 H4' DG B 9 -1.693 11.881 11.043 1.00 0.00 H new ATOM 0 H3' DG B 9 -0.232 9.548 11.091 1.00 0.00 H new ATOM 0 H2' DG B 9 0.385 9.547 8.754 1.00 0.00 H new ATOM 0 H2'' DG B 9 -0.987 8.457 8.795 1.00 0.00 H new ATOM 0 HO5' DG B 9 -0.785 13.598 9.301 1.00 0.00 H new ATOM 0 H1' DG B 9 -2.364 9.933 7.767 1.00 0.00 H new ATOM 0 H8 DG B 9 1.288 10.990 7.370 1.00 0.00 H new ATOM 0 H1 DG B 9 -2.596 12.608 2.500 1.00 0.00 H new ATOM 0 H21 DG B 9 -5.127 11.462 4.654 1.00 0.00 H new ATOM 0 H22 DG B 9 -4.724 12.122 3.066 1.00 0.00 H new ATOM 285 P DC B 10 -2.609 7.951 11.152 1.00 0.00 P ATOM 286 OP1 DC B 10 -3.441 7.850 12.370 1.00 0.00 O ATOM 287 OP2 DC B 10 -1.375 7.145 11.030 1.00 0.00 O ATOM 288 O5' DC B 10 -3.531 7.673 9.866 1.00 0.00 O ATOM 289 C5' DC B 10 -4.813 8.259 9.748 1.00 0.00 C ATOM 290 C4' DC B 10 -5.459 7.886 8.408 1.00 0.00 C ATOM 291 O4' DC B 10 -4.758 8.518 7.340 1.00 0.00 O ATOM 292 C3' DC B 10 -5.426 6.369 8.164 1.00 0.00 C ATOM 293 O3' DC B 10 -6.651 6.004 7.582 1.00 0.00 O ATOM 294 C2' DC B 10 -4.224 6.290 7.228 1.00 0.00 C ATOM 295 C1' DC B 10 -4.384 7.546 6.380 1.00 0.00 C ATOM 296 N1 DC B 10 -3.136 7.922 5.665 1.00 0.00 N ATOM 297 C2 DC B 10 -3.177 8.531 4.412 1.00 0.00 C ATOM 298 O2 DC B 10 -4.244 8.738 3.836 1.00 0.00 O ATOM 299 N3 DC B 10 -2.002 8.906 3.810 1.00 0.00 N ATOM 300 C4 DC B 10 -0.831 8.629 4.404 1.00 0.00 C ATOM 301 N4 DC B 10 0.294 9.069 3.856 1.00 0.00 N ATOM 302 C5 DC B 10 -0.769 7.950 5.657 1.00 0.00 C ATOM 303 C6 DC B 10 -1.936 7.624 6.223 1.00 0.00 C ATOM 0 H5' DC B 10 -4.732 9.343 9.829 1.00 0.00 H new ATOM 0 H5'' DC B 10 -5.448 7.925 10.569 1.00 0.00 H new ATOM 0 H4' DC B 10 -6.496 8.219 8.446 1.00 0.00 H new ATOM 0 H3' DC B 10 -5.322 5.703 9.021 1.00 0.00 H new ATOM 0 H2' DC B 10 -3.282 6.288 7.776 1.00 0.00 H new ATOM 0 H2'' DC B 10 -4.241 5.385 6.621 1.00 0.00 H new ATOM 0 H1' DC B 10 -5.110 7.423 5.576 1.00 0.00 H new ATOM 0 H41 DC B 10 1.190 8.865 4.298 1.00 0.00 H new ATOM 0 H42 DC B 10 0.263 9.611 2.993 1.00 0.00 H new ATOM 0 H5 DC B 10 0.174 7.711 6.126 1.00 0.00 H new ATOM 0 H6 DC B 10 -1.922 7.100 7.167 1.00 0.00 H new ATOM 315 P DG B 11 -7.071 4.476 7.347 1.00 0.00 P ATOM 316 OP1 DG B 11 -8.299 4.206 8.124 1.00 0.00 O ATOM 317 OP2 DG B 11 -5.878 3.619 7.516 1.00 0.00 O ATOM 318 O5' DG B 11 -7.430 4.542 5.790 1.00 0.00 O ATOM 319 C5' DG B 11 -8.403 5.447 5.315 1.00 0.00 C ATOM 320 C4' DG B 11 -8.516 5.324 3.797 1.00 0.00 C ATOM 321 O4' DG B 11 -7.353 5.863 3.199 1.00 0.00 O ATOM 322 C3' DG B 11 -8.641 3.863 3.361 1.00 0.00 C ATOM 323 O3' DG B 11 -9.629 3.820 2.352 1.00 0.00 O ATOM 324 C2' DG B 11 -7.217 3.517 2.916 1.00 0.00 C ATOM 325 C1' DG B 11 -6.659 4.871 2.467 1.00 0.00 C ATOM 326 N9 DG B 11 -5.220 5.035 2.755 1.00 0.00 N ATOM 327 C8 DG B 11 -4.579 4.834 3.951 1.00 0.00 C ATOM 328 N7 DG B 11 -3.347 5.247 3.977 1.00 0.00 N ATOM 329 C5 DG B 11 -3.137 5.715 2.685 1.00 0.00 C ATOM 330 C6 DG B 11 -1.953 6.220 2.084 1.00 0.00 C ATOM 331 O6 DG B 11 -0.869 6.418 2.618 1.00 0.00 O ATOM 332 N1 DG B 11 -2.102 6.500 0.740 1.00 0.00 N ATOM 333 C2 DG B 11 -3.280 6.368 0.051 1.00 0.00 C ATOM 334 N2 DG B 11 -3.249 6.613 -1.254 1.00 0.00 N ATOM 335 N3 DG B 11 -4.411 5.903 0.604 1.00 0.00 N ATOM 336 C4 DG B 11 -4.270 5.585 1.922 1.00 0.00 C ATOM 0 H5' DG B 11 -8.131 6.466 5.589 1.00 0.00 H new ATOM 0 H5'' DG B 11 -9.367 5.239 5.780 1.00 0.00 H new ATOM 0 H4' DG B 11 -9.409 5.865 3.483 1.00 0.00 H new ATOM 0 H3' DG B 11 -8.965 3.138 4.108 1.00 0.00 H new ATOM 0 H2' DG B 11 -6.632 3.089 3.730 1.00 0.00 H new ATOM 0 H2'' DG B 11 -7.213 2.789 2.104 1.00 0.00 H new ATOM 0 H1' DG B 11 -6.787 4.948 1.387 1.00 0.00 H new ATOM 0 H8 DG B 11 -5.058 4.371 4.801 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.283 6.826 0.227 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.100 6.528 -1.809 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.374 6.886 -1.701 1.00 0.00 H new ATOM 348 P DT B 12 -10.213 2.439 1.777 1.00 0.00 P ATOM 349 OP1 DT B 12 -11.531 2.714 1.166 1.00 0.00 O ATOM 350 OP2 DT B 12 -10.083 1.404 2.825 1.00 0.00 O ATOM 351 O5' DT B 12 -9.157 2.132 0.617 1.00 0.00 O ATOM 352 C5' DT B 12 -9.126 2.914 -0.558 1.00 0.00 C ATOM 353 C4' DT B 12 -7.900 2.535 -1.387 1.00 0.00 C ATOM 354 O4' DT B 12 -6.699 2.888 -0.739 1.00 0.00 O ATOM 355 C3' DT B 12 -7.789 1.030 -1.626 1.00 0.00 C ATOM 356 O3' DT B 12 -8.548 0.712 -2.775 1.00 0.00 O ATOM 357 C2' DT B 12 -6.272 0.825 -1.732 1.00 0.00 C ATOM 358 C1' DT B 12 -5.677 2.209 -1.439 1.00 0.00 C ATOM 359 N1 DT B 12 -4.434 2.229 -0.632 1.00 0.00 N ATOM 360 C2 DT B 12 -3.447 3.187 -0.812 1.00 0.00 C ATOM 361 O2 DT B 12 -3.381 3.881 -1.821 1.00 0.00 O ATOM 362 N3 DT B 12 -2.526 3.329 0.210 1.00 0.00 N ATOM 363 C4 DT B 12 -2.488 2.619 1.383 1.00 0.00 C ATOM 364 O4 DT B 12 -1.794 3.000 2.321 1.00 0.00 O ATOM 365 C5 DT B 12 -3.320 1.349 1.505 1.00 0.00 C ATOM 366 C7 DT B 12 -4.246 1.349 2.726 1.00 0.00 C ATOM 367 C6 DT B 12 -4.234 1.125 0.319 1.00 0.00 C ATOM 0 H5' DT B 12 -9.093 3.973 -0.302 1.00 0.00 H new ATOM 0 H5'' DT B 12 -10.035 2.754 -1.138 1.00 0.00 H new ATOM 0 H4' DT B 12 -8.035 3.074 -2.325 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.190 0.368 -0.859 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.921 0.082 -1.016 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.987 0.472 -2.723 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.374 2.662 -2.383 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.801 4.034 0.078 1.00 0.00 H new ATOM 0 H71 DT B 12 -5.136 0.758 2.508 1.00 0.00 H new ATOM 0 H72 DT B 12 -3.723 0.917 3.579 1.00 0.00 H new ATOM 0 H73 DT B 12 -4.539 2.372 2.961 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.728 0.176 0.174 1.00 0.00 H new ATOM 380 P DA B 13 -8.887 -0.806 -3.189 1.00 0.00 P ATOM 381 OP1 DA B 13 -9.957 -0.771 -4.208 1.00 0.00 O ATOM 382 OP2 DA B 13 -9.074 -1.595 -1.952 1.00 0.00 O ATOM 383 O5' DA B 13 -7.528 -1.274 -3.891 1.00 0.00 O ATOM 384 C5' DA B 13 -7.037 -0.599 -5.031 1.00 0.00 C ATOM 385 C4' DA B 13 -5.725 -1.255 -5.444 1.00 0.00 C ATOM 386 O4' DA B 13 -4.805 -1.244 -4.370 1.00 0.00 O ATOM 387 C3' DA B 13 -5.957 -2.706 -5.869 1.00 0.00 C ATOM 388 O3' DA B 13 -5.521 -2.823 -7.209 1.00 0.00 O ATOM 389 C2' DA B 13 -5.139 -3.470 -4.829 1.00 0.00 C ATOM 390 C1' DA B 13 -4.099 -2.469 -4.328 1.00 0.00 C ATOM 391 N9 DA B 13 -3.724 -2.761 -2.925 1.00 0.00 N ATOM 392 C8 DA B 13 -4.574 -2.789 -1.848 1.00 0.00 C ATOM 393 N7 DA B 13 -4.043 -3.266 -0.758 1.00 0.00 N ATOM 394 C5 DA B 13 -2.701 -3.396 -1.095 1.00 0.00 C ATOM 395 C6 DA B 13 -1.562 -3.681 -0.324 1.00 0.00 C ATOM 396 N6 DA B 13 -1.635 -4.053 0.950 1.00 0.00 N ATOM 397 N1 DA B 13 -0.352 -3.441 -0.843 1.00 0.00 N ATOM 398 C2 DA B 13 -0.267 -3.044 -2.103 1.00 0.00 C ATOM 399 N3 DA B 13 -1.253 -2.828 -2.973 1.00 0.00 N ATOM 400 C4 DA B 13 -2.472 -3.004 -2.391 1.00 0.00 C ATOM 0 H5' DA B 13 -6.881 0.457 -4.810 1.00 0.00 H new ATOM 0 H5'' DA B 13 -7.761 -0.651 -5.845 1.00 0.00 H new ATOM 0 H4' DA B 13 -5.322 -0.687 -6.282 1.00 0.00 H new ATOM 0 H3' DA B 13 -6.980 -3.082 -5.880 1.00 0.00 H new ATOM 0 H2' DA B 13 -5.770 -3.824 -4.014 1.00 0.00 H new ATOM 0 H2'' DA B 13 -4.663 -4.347 -5.268 1.00 0.00 H new ATOM 0 H1' DA B 13 -3.179 -2.483 -4.913 1.00 0.00 H new ATOM 0 H8 DA B 13 -5.596 -2.445 -1.900 1.00 0.00 H new ATOM 0 H61 DA B 13 -0.782 -4.251 1.473 1.00 0.00 H new ATOM 0 H62 DA B 13 -2.544 -4.141 1.404 1.00 0.00 H new ATOM 0 H2 DA B 13 0.733 -2.873 -2.475 1.00 0.00 H new ATOM 412 P DC B 14 -5.632 -4.188 -8.056 1.00 0.00 P ATOM 413 OP1 DC B 14 -6.002 -3.840 -9.444 1.00 0.00 O ATOM 414 OP2 DC B 14 -6.448 -5.154 -7.289 1.00 0.00 O ATOM 415 O5' DC B 14 -4.105 -4.674 -8.029 1.00 0.00 O ATOM 416 C5' DC B 14 -3.087 -3.863 -8.582 1.00 0.00 C ATOM 417 C4' DC B 14 -1.734 -4.359 -8.083 1.00 0.00 C ATOM 418 O4' DC B 14 -1.758 -4.411 -6.662 1.00 0.00 O ATOM 419 C3' DC B 14 -1.405 -5.770 -8.596 1.00 0.00 C ATOM 420 O3' DC B 14 -0.062 -5.755 -9.054 1.00 0.00 O ATOM 421 C2' DC B 14 -1.596 -6.590 -7.322 1.00 0.00 C ATOM 422 C1' DC B 14 -1.099 -5.598 -6.278 1.00 0.00 C ATOM 423 N1 DC B 14 -1.420 -5.994 -4.878 1.00 0.00 N ATOM 424 C2 DC B 14 -0.376 -6.118 -3.968 1.00 0.00 C ATOM 425 O2 DC B 14 0.796 -6.026 -4.322 1.00 0.00 O ATOM 426 N3 DC B 14 -0.655 -6.349 -2.659 1.00 0.00 N ATOM 427 C4 DC B 14 -1.910 -6.552 -2.259 1.00 0.00 C ATOM 428 N4 DC B 14 -2.126 -6.741 -0.965 1.00 0.00 N ATOM 429 C5 DC B 14 -3.008 -6.472 -3.173 1.00 0.00 C ATOM 430 C6 DC B 14 -2.711 -6.196 -4.463 1.00 0.00 C ATOM 0 H5' DC B 14 -3.236 -2.822 -8.294 1.00 0.00 H new ATOM 0 H5'' DC B 14 -3.124 -3.901 -9.671 1.00 0.00 H new ATOM 0 H4' DC B 14 -0.977 -3.668 -8.454 1.00 0.00 H new ATOM 0 H3' DC B 14 -2.000 -6.154 -9.425 1.00 0.00 H new ATOM 0 H2' DC B 14 -2.637 -6.873 -7.163 1.00 0.00 H new ATOM 0 H2'' DC B 14 -1.013 -7.511 -7.330 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.012 -5.517 -6.259 1.00 0.00 H new ATOM 0 H41 DC B 14 -3.074 -6.899 -0.624 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.344 -6.728 -0.310 1.00 0.00 H new ATOM 0 H5 DC B 14 -4.026 -6.625 -2.848 1.00 0.00 H new ATOM 0 H6 DC B 14 -3.512 -6.133 -5.185 1.00 0.00 H new ATOM 442 P DG B 15 0.540 -6.828 -10.104 1.00 0.00 P ATOM 443 OP1 DG B 15 1.682 -6.180 -10.784 1.00 0.00 O ATOM 444 OP2 DG B 15 -0.577 -7.366 -10.910 1.00 0.00 O ATOM 445 O5' DG B 15 1.124 -8.024 -9.195 1.00 0.00 O ATOM 446 C5' DG B 15 1.886 -7.760 -8.034 1.00 0.00 C ATOM 447 C4' DG B 15 2.908 -8.871 -7.736 1.00 0.00 C ATOM 448 O4' DG B 15 3.072 -8.893 -6.329 1.00 0.00 O ATOM 449 C3' DG B 15 2.512 -10.299 -8.150 1.00 0.00 C ATOM 450 O3' DG B 15 3.645 -11.147 -8.121 1.00 0.00 O ATOM 451 C2' DG B 15 1.530 -10.512 -7.023 1.00 0.00 C ATOM 452 C1' DG B 15 2.345 -9.997 -5.832 1.00 0.00 C ATOM 453 N9 DG B 15 1.488 -9.658 -4.681 1.00 0.00 N ATOM 454 C8 DG B 15 0.136 -9.507 -4.682 1.00 0.00 C ATOM 455 N7 DG B 15 -0.396 -9.313 -3.512 1.00 0.00 N ATOM 456 C5 DG B 15 0.704 -9.326 -2.655 1.00 0.00 C ATOM 457 C6 DG B 15 0.774 -9.193 -1.236 1.00 0.00 C ATOM 458 O6 DG B 15 -0.148 -9.026 -0.443 1.00 0.00 O ATOM 459 N1 DG B 15 2.072 -9.273 -0.756 1.00 0.00 N ATOM 460 C2 DG B 15 3.172 -9.524 -1.539 1.00 0.00 C ATOM 461 N2 DG B 15 4.358 -9.629 -0.954 1.00 0.00 N ATOM 462 N3 DG B 15 3.113 -9.707 -2.861 1.00 0.00 N ATOM 463 C4 DG B 15 1.859 -9.562 -3.361 1.00 0.00 C ATOM 0 H5' DG B 15 1.216 -7.648 -7.181 1.00 0.00 H new ATOM 0 H5'' DG B 15 2.410 -6.812 -8.155 1.00 0.00 H new ATOM 0 H4' DG B 15 3.795 -8.627 -8.320 1.00 0.00 H new ATOM 0 H3' DG B 15 2.119 -10.480 -9.150 1.00 0.00 H new ATOM 0 H2' DG B 15 0.607 -9.950 -7.167 1.00 0.00 H new ATOM 0 H2'' DG B 15 1.250 -11.560 -6.911 1.00 0.00 H new ATOM 0 H1' DG B 15 3.019 -10.758 -5.439 1.00 0.00 H new ATOM 0 H8 DG B 15 -0.451 -9.545 -5.587 1.00 0.00 H new ATOM 0 H1 DG B 15 2.220 -9.137 0.244 1.00 0.00 H new ATOM 0 H21 DG B 15 5.189 -9.815 -1.516 1.00 0.00 H new ATOM 0 H22 DG B 15 4.439 -9.524 0.057 1.00 0.00 H new ATOM 475 P DC B 16 3.553 -12.736 -8.399 1.00 0.00 P ATOM 476 OP1 DC B 16 4.577 -13.084 -9.406 1.00 0.00 O ATOM 477 OP2 DC B 16 2.136 -13.087 -8.639 1.00 0.00 O ATOM 478 O5' DC B 16 3.991 -13.353 -6.977 1.00 0.00 O ATOM 479 C5' DC B 16 5.323 -13.209 -6.525 1.00 0.00 C ATOM 480 C4' DC B 16 5.460 -13.568 -5.048 1.00 0.00 C ATOM 481 O4' DC B 16 4.681 -12.668 -4.295 1.00 0.00 O ATOM 482 C3' DC B 16 4.957 -14.956 -4.664 1.00 0.00 C ATOM 483 O3' DC B 16 5.927 -15.954 -4.897 1.00 0.00 O ATOM 484 C2' DC B 16 4.686 -14.760 -3.176 1.00 0.00 C ATOM 485 C1' DC B 16 4.411 -13.254 -3.037 1.00 0.00 C ATOM 486 N1 DC B 16 2.997 -12.986 -2.667 1.00 0.00 N ATOM 487 C2 DC B 16 2.693 -12.780 -1.326 1.00 0.00 C ATOM 488 O2 DC B 16 3.561 -12.831 -0.458 1.00 0.00 O ATOM 489 N3 DC B 16 1.408 -12.515 -0.967 1.00 0.00 N ATOM 490 C4 DC B 16 0.443 -12.486 -1.889 1.00 0.00 C ATOM 491 N4 DC B 16 -0.780 -12.157 -1.494 1.00 0.00 N ATOM 492 C5 DC B 16 0.720 -12.695 -3.279 1.00 0.00 C ATOM 493 C6 DC B 16 2.010 -12.932 -3.619 1.00 0.00 C ATOM 0 H5' DC B 16 5.651 -12.182 -6.682 1.00 0.00 H new ATOM 0 H5'' DC B 16 5.979 -13.847 -7.117 1.00 0.00 H new ATOM 0 H4' DC B 16 6.531 -13.529 -4.848 1.00 0.00 H new ATOM 0 H3' DC B 16 4.095 -15.296 -5.238 1.00 0.00 H new ATOM 0 H2' DC B 16 3.833 -15.353 -2.845 1.00 0.00 H new ATOM 0 H2'' DC B 16 5.540 -15.066 -2.572 1.00 0.00 H new ATOM 0 HO3' DC B 16 5.567 -16.827 -4.637 1.00 0.00 H new ATOM 0 H1' DC B 16 5.038 -12.839 -2.248 1.00 0.00 H new ATOM 0 H41 DC B 16 -1.543 -12.124 -2.170 1.00 0.00 H new ATOM 0 H42 DC B 16 -0.957 -11.937 -0.514 1.00 0.00 H new ATOM 0 H5 DC B 16 -0.063 -12.665 -4.022 1.00 0.00 H new ATOM 0 H6 DC B 16 2.266 -13.081 -4.658 1.00 0.00 H new TER 506 DC B 16 HETATM 507 O1 PSO B 1 -1.415 0.233 -1.550 1.00 0.00 O HETATM 508 C2 PSO B 1 -2.668 0.151 -1.479 1.00 0.00 C HETATM 509 C3 PSO B 1 -3.430 -0.055 -0.180 1.00 0.00 C HETATM 510 C4 PSO B 1 -2.612 0.046 1.070 1.00 0.00 C HETATM 511 C5 PSO B 1 -0.385 0.295 1.916 1.00 0.00 C HETATM 512 C6 PSO B 1 1.004 0.437 1.720 1.00 0.00 C HETATM 513 C7 PSO B 1 1.515 0.459 0.473 1.00 0.00 C HETATM 514 C8 PSO B 1 0.673 0.213 -0.616 1.00 0.00 C HETATM 515 C9 PSO B 1 -0.732 0.251 -0.474 1.00 0.00 C HETATM 516 C10 PSO B 1 -1.248 0.219 0.816 1.00 0.00 C HETATM 517 C4' PSO B 1 2.098 0.058 2.664 1.00 0.00 C HETATM 518 C5' PSO B 1 3.285 0.299 1.744 1.00 0.00 C HETATM 519 O6' PSO B 1 2.776 0.467 0.410 1.00 0.00 O HETATM 520 O11 PSO B 1 -3.306 0.243 -2.521 1.00 0.00 O HETATM 521 C12 PSO B 1 -2.902 -1.043 2.117 1.00 0.00 C HETATM 522 C13 PSO B 1 2.072 0.796 4.014 1.00 0.00 C HETATM 523 O14 PSO B 1 1.706 2.157 3.959 1.00 0.00 O HETATM 524 C15 PSO B 1 4.070 1.462 2.330 1.00 0.00 C HETATM 525 C16 PSO B 1 1.311 -0.107 -1.939 1.00 0.00 C HETATM 0 H163 PSO B 1 1.942 0.726 -2.250 1.00 0.00 H new HETATM 0 H162 PSO B 1 1.920 -1.006 -1.842 1.00 0.00 H new HETATM 0 H161 PSO B 1 0.535 -0.273 -2.686 1.00 0.00 H new HETATM 0 H153 PSO B 1 3.432 2.345 2.376 1.00 0.00 H new HETATM 0 H152 PSO B 1 4.407 1.205 3.334 1.00 0.00 H new HETATM 0 H151 PSO B 1 4.935 1.671 1.700 1.00 0.00 H new HETATM 0 H132 PSO B 1 1.379 0.279 4.677 1.00 0.00 H new HETATM 0 H131 PSO B 1 3.061 0.722 4.467 1.00 0.00 H new HETATM 0 H123 PSO B 1 -3.948 -0.988 2.420 1.00 0.00 H new HETATM 0 H122 PSO B 1 -2.700 -2.024 1.687 1.00 0.00 H new HETATM 0 H121 PSO B 1 -2.264 -0.890 2.987 1.00 0.00 H new HETATM 0 H5 PSO B 1 -0.788 0.244 2.927 1.00 0.00 H new HETATM 0 H14 PSO B 1 1.717 2.536 4.863 1.00 0.00 H new