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 -33:sc= 0.0624 USER MOD Single : A 4 DT C7 :methyl -30:sc= -4.01! (180deg=-6.29!) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : A 9 PSO O14 : rot 180:sc= -0.246 USER MOD Single : B 9 DG O5' : rot 180:sc= 0 USER MOD Single : B 12 DT C7 :methyl 150:sc= -3.09! (180deg=-3.09!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -2.366 -14.104 9.614 1.00 0.00 O ATOM 2 C5' DG A 1 -2.178 -12.719 9.800 1.00 0.00 C ATOM 3 C4' DG A 1 -0.676 -12.421 9.824 1.00 0.00 C ATOM 4 O4' DG A 1 -0.003 -12.992 8.700 1.00 0.00 O ATOM 5 C3' DG A 1 -0.398 -10.935 9.792 1.00 0.00 C ATOM 6 O3' DG A 1 0.789 -10.665 10.515 1.00 0.00 O ATOM 7 C2' DG A 1 -0.292 -10.707 8.307 1.00 0.00 C ATOM 8 C1' DG A 1 0.273 -11.988 7.724 1.00 0.00 C ATOM 9 N9 DG A 1 -0.371 -12.302 6.422 1.00 0.00 N ATOM 10 C8 DG A 1 -1.662 -12.719 6.213 1.00 0.00 C ATOM 11 N7 DG A 1 -1.992 -12.867 4.966 1.00 0.00 N ATOM 12 C5 DG A 1 -0.827 -12.547 4.282 1.00 0.00 C ATOM 13 C6 DG A 1 -0.572 -12.561 2.882 1.00 0.00 C ATOM 14 O6 DG A 1 -1.360 -12.807 1.975 1.00 0.00 O ATOM 15 N1 DG A 1 0.740 -12.254 2.573 1.00 0.00 N ATOM 16 C2 DG A 1 1.696 -11.928 3.504 1.00 0.00 C ATOM 17 N2 DG A 1 2.921 -11.674 3.051 1.00 0.00 N ATOM 18 N3 DG A 1 1.461 -11.876 4.826 1.00 0.00 N ATOM 19 C4 DG A 1 0.181 -12.211 5.156 1.00 0.00 C ATOM 0 H5' DG A 1 -2.641 -12.398 10.733 1.00 0.00 H new ATOM 0 H5'' DG A 1 -2.660 -12.162 8.997 1.00 0.00 H new ATOM 0 H4' DG A 1 -0.309 -12.859 10.752 1.00 0.00 H new ATOM 0 H3' DG A 1 -1.137 -10.282 10.255 1.00 0.00 H new ATOM 0 H2' DG A 1 -1.268 -10.480 7.877 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.358 -9.860 8.088 1.00 0.00 H new ATOM 0 HO5' DG A 1 -1.647 -14.459 9.051 1.00 0.00 H new ATOM 0 H1' DG A 1 1.341 -11.913 7.519 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.350 -12.909 7.023 1.00 0.00 H new ATOM 0 H1 DG A 1 1.016 -12.271 1.591 1.00 0.00 H new ATOM 0 H21 DG A 1 3.665 -11.427 3.704 1.00 0.00 H new ATOM 0 H22 DG A 1 3.116 -11.726 2.051 1.00 0.00 H new ATOM 32 P DC A 2 1.333 -9.168 10.765 1.00 0.00 P ATOM 33 OP1 DC A 2 2.019 -9.141 12.074 1.00 0.00 O ATOM 34 OP2 DC A 2 0.234 -8.218 10.487 1.00 0.00 O ATOM 35 O5' DC A 2 2.444 -9.014 9.611 1.00 0.00 O ATOM 36 C5' DC A 2 3.530 -9.911 9.543 1.00 0.00 C ATOM 37 C4' DC A 2 4.571 -9.468 8.513 1.00 0.00 C ATOM 38 O4' DC A 2 4.116 -9.598 7.169 1.00 0.00 O ATOM 39 C3' DC A 2 4.986 -8.009 8.685 1.00 0.00 C ATOM 40 O3' DC A 2 6.373 -8.025 8.414 1.00 0.00 O ATOM 41 C2' DC A 2 4.085 -7.313 7.663 1.00 0.00 C ATOM 42 C1' DC A 2 3.997 -8.334 6.520 1.00 0.00 C ATOM 43 N1 DC A 2 2.689 -8.366 5.779 1.00 0.00 N ATOM 44 C2 DC A 2 2.693 -8.710 4.430 1.00 0.00 C ATOM 45 O2 DC A 2 3.751 -8.896 3.834 1.00 0.00 O ATOM 46 N3 DC A 2 1.511 -8.845 3.751 1.00 0.00 N ATOM 47 C4 DC A 2 0.348 -8.659 4.390 1.00 0.00 C ATOM 48 N4 DC A 2 -0.789 -8.895 3.742 1.00 0.00 N ATOM 49 C5 DC A 2 0.296 -8.339 5.779 1.00 0.00 C ATOM 50 C6 DC A 2 1.482 -8.229 6.421 1.00 0.00 C ATOM 0 H5' DC A 2 3.164 -10.905 9.285 1.00 0.00 H new ATOM 0 H5'' DC A 2 3.999 -9.988 10.524 1.00 0.00 H new ATOM 0 H4' DC A 2 5.414 -10.134 8.695 1.00 0.00 H new ATOM 0 H3' DC A 2 4.867 -7.504 9.644 1.00 0.00 H new ATOM 0 H2' DC A 2 3.103 -7.089 8.079 1.00 0.00 H new ATOM 0 H2'' DC A 2 4.512 -6.368 7.327 1.00 0.00 H new ATOM 0 H1' DC A 2 4.758 -8.081 5.782 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.683 -8.758 4.214 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.767 -9.213 2.773 1.00 0.00 H new ATOM 0 H5 DC A 2 -0.643 -8.192 6.292 1.00 0.00 H new ATOM 0 H6 DC A 2 1.480 -8.025 7.482 1.00 0.00 H new ATOM 62 P DG A 3 7.254 -6.699 8.305 1.00 0.00 P ATOM 63 OP1 DG A 3 8.660 -7.038 8.612 1.00 0.00 O ATOM 64 OP2 DG A 3 6.572 -5.610 9.037 1.00 0.00 O ATOM 65 O5' DG A 3 7.107 -6.458 6.730 1.00 0.00 O ATOM 66 C5' DG A 3 7.627 -7.385 5.798 1.00 0.00 C ATOM 67 C4' DG A 3 7.742 -6.726 4.424 1.00 0.00 C ATOM 68 O4' DG A 3 6.460 -6.763 3.836 1.00 0.00 O ATOM 69 C3' DG A 3 8.195 -5.265 4.554 1.00 0.00 C ATOM 70 O3' DG A 3 9.097 -4.932 3.520 1.00 0.00 O ATOM 71 C2' DG A 3 6.843 -4.561 4.475 1.00 0.00 C ATOM 72 C1' DG A 3 6.039 -5.453 3.546 1.00 0.00 C ATOM 73 N9 DG A 3 4.580 -5.369 3.750 1.00 0.00 N ATOM 74 C8 DG A 3 3.867 -5.107 4.891 1.00 0.00 C ATOM 75 N7 DG A 3 2.590 -5.345 4.784 1.00 0.00 N ATOM 76 C5 DG A 3 2.430 -5.715 3.450 1.00 0.00 C ATOM 77 C6 DG A 3 1.253 -5.994 2.690 1.00 0.00 C ATOM 78 O6 DG A 3 0.090 -6.063 3.085 1.00 0.00 O ATOM 79 N1 DG A 3 1.527 -6.201 1.347 1.00 0.00 N ATOM 80 C2 DG A 3 2.788 -6.172 0.795 1.00 0.00 C ATOM 81 N2 DG A 3 2.940 -6.355 -0.510 1.00 0.00 N ATOM 82 N3 DG A 3 3.893 -5.925 1.498 1.00 0.00 N ATOM 83 C4 DG A 3 3.643 -5.700 2.810 1.00 0.00 C ATOM 0 H5' DG A 3 6.978 -8.259 5.739 1.00 0.00 H new ATOM 0 H5'' DG A 3 8.605 -7.736 6.127 1.00 0.00 H new ATOM 0 H4' DG A 3 8.478 -7.254 3.818 1.00 0.00 H new ATOM 0 H3' DG A 3 8.755 -5.002 5.451 1.00 0.00 H new ATOM 0 H2' DG A 3 6.375 -4.476 5.456 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.938 -3.550 4.079 1.00 0.00 H new ATOM 0 H1' DG A 3 6.211 -5.143 2.515 1.00 0.00 H new ATOM 0 H8 DG A 3 4.323 -4.737 5.797 1.00 0.00 H new ATOM 0 H1 DG A 3 0.740 -6.388 0.725 1.00 0.00 H new ATOM 0 H21 DG A 3 3.873 -6.334 -0.923 1.00 0.00 H new ATOM 0 H22 DG A 3 2.124 -6.517 -1.101 1.00 0.00 H new ATOM 95 P DT A 4 9.769 -3.465 3.408 1.00 0.00 P ATOM 96 OP1 DT A 4 11.133 -3.623 2.860 1.00 0.00 O ATOM 97 OP2 DT A 4 9.562 -2.753 4.688 1.00 0.00 O ATOM 98 O5' DT A 4 8.843 -2.799 2.280 1.00 0.00 O ATOM 99 C5' DT A 4 8.848 -3.341 0.979 1.00 0.00 C ATOM 100 C4' DT A 4 7.528 -3.063 0.270 1.00 0.00 C ATOM 101 O4' DT A 4 6.405 -3.243 1.105 1.00 0.00 O ATOM 102 C3' DT A 4 7.387 -1.632 -0.263 1.00 0.00 C ATOM 103 O3' DT A 4 7.840 -1.536 -1.609 1.00 0.00 O ATOM 104 C2' DT A 4 5.887 -1.380 -0.144 1.00 0.00 C ATOM 105 C1' DT A 4 5.315 -2.643 0.430 1.00 0.00 C ATOM 106 N1 DT A 4 4.194 -2.378 1.357 1.00 0.00 N ATOM 107 C2 DT A 4 2.943 -2.917 1.127 1.00 0.00 C ATOM 108 O2 DT A 4 2.607 -3.351 0.031 1.00 0.00 O ATOM 109 N3 DT A 4 2.073 -2.953 2.186 1.00 0.00 N ATOM 110 C4 DT A 4 2.242 -2.401 3.427 1.00 0.00 C ATOM 111 O4 DT A 4 1.451 -2.661 4.330 1.00 0.00 O ATOM 112 C5 DT A 4 3.425 -1.462 3.636 1.00 0.00 C ATOM 113 C7 DT A 4 4.133 -1.571 4.973 1.00 0.00 C ATOM 114 C6 DT A 4 4.464 -1.483 2.511 1.00 0.00 C ATOM 0 H5' DT A 4 9.019 -4.416 1.029 1.00 0.00 H new ATOM 0 H5'' DT A 4 9.671 -2.914 0.406 1.00 0.00 H new ATOM 0 H4' DT A 4 7.553 -3.782 -0.549 1.00 0.00 H new ATOM 0 H3' DT A 4 7.985 -0.900 0.280 1.00 0.00 H new ATOM 0 H2' DT A 4 5.682 -0.527 0.502 1.00 0.00 H new ATOM 0 H2'' DT A 4 5.448 -1.156 -1.116 1.00 0.00 H new ATOM 0 H1' DT A 4 4.893 -3.284 -0.344 1.00 0.00 H new ATOM 0 H3 DT A 4 1.196 -3.450 2.031 1.00 0.00 H new ATOM 0 H71 DT A 4 3.421 -1.884 5.737 1.00 0.00 H new ATOM 0 H72 DT A 4 4.935 -2.306 4.901 1.00 0.00 H new ATOM 0 H73 DT A 4 4.552 -0.602 5.243 1.00 0.00 H new ATOM 0 H6 DT A 4 5.354 -0.873 2.555 1.00 0.00 H new ATOM 127 P DA A 5 7.046 -2.177 -2.894 1.00 0.00 P ATOM 128 OP1 DA A 5 6.415 -3.459 -2.519 1.00 0.00 O ATOM 129 OP2 DA A 5 7.983 -2.156 -4.039 1.00 0.00 O ATOM 130 O5' DA A 5 5.862 -1.106 -3.179 1.00 0.00 O ATOM 131 C5' DA A 5 6.186 0.215 -3.544 1.00 0.00 C ATOM 132 C4' DA A 5 5.035 0.919 -4.274 1.00 0.00 C ATOM 133 O4' DA A 5 4.002 1.144 -3.318 1.00 0.00 O ATOM 134 C3' DA A 5 5.425 2.315 -4.796 1.00 0.00 C ATOM 135 O3' DA A 5 4.791 2.686 -6.032 1.00 0.00 O ATOM 136 C2' DA A 5 5.128 3.164 -3.565 1.00 0.00 C ATOM 137 C1' DA A 5 3.829 2.538 -3.101 1.00 0.00 C ATOM 138 N9 DA A 5 3.403 2.879 -1.726 1.00 0.00 N ATOM 139 C8 DA A 5 4.142 2.981 -0.575 1.00 0.00 C ATOM 140 N7 DA A 5 3.434 3.200 0.499 1.00 0.00 N ATOM 141 C5 DA A 5 2.124 3.224 0.023 1.00 0.00 C ATOM 142 C6 DA A 5 0.868 3.323 0.651 1.00 0.00 C ATOM 143 N6 DA A 5 0.771 3.414 1.973 1.00 0.00 N ATOM 144 N1 DA A 5 -0.254 3.253 -0.092 1.00 0.00 N ATOM 145 C2 DA A 5 -0.120 3.126 -1.409 1.00 0.00 C ATOM 146 N3 DA A 5 0.996 3.047 -2.126 1.00 0.00 N ATOM 147 C4 DA A 5 2.098 3.076 -1.335 1.00 0.00 C ATOM 0 H5' DA A 5 7.068 0.206 -4.185 1.00 0.00 H new ATOM 0 H5'' DA A 5 6.447 0.782 -2.651 1.00 0.00 H new ATOM 0 H4' DA A 5 4.745 0.289 -5.115 1.00 0.00 H new ATOM 0 H3' DA A 5 6.457 2.421 -5.129 1.00 0.00 H new ATOM 0 H2' DA A 5 5.914 3.092 -2.813 1.00 0.00 H new ATOM 0 H2'' DA A 5 5.015 4.221 -3.808 1.00 0.00 H new ATOM 0 H1' DA A 5 2.993 2.945 -3.670 1.00 0.00 H new ATOM 0 H8 DA A 5 5.218 2.888 -0.559 1.00 0.00 H new ATOM 0 H61 DA A 5 -0.146 3.485 2.413 1.00 0.00 H new ATOM 0 H62 DA A 5 1.614 3.413 2.547 1.00 0.00 H new ATOM 0 H2 DA A 5 -1.041 3.081 -1.971 1.00 0.00 H new ATOM 159 P DC A 6 3.206 2.550 -6.459 1.00 0.00 P ATOM 160 OP1 DC A 6 2.683 1.247 -6.000 1.00 0.00 O ATOM 161 OP2 DC A 6 3.123 2.893 -7.895 1.00 0.00 O ATOM 162 O5' DC A 6 2.451 3.729 -5.640 1.00 0.00 O ATOM 163 C5' DC A 6 2.899 5.062 -5.712 1.00 0.00 C ATOM 164 C4' DC A 6 1.734 5.821 -6.325 1.00 0.00 C ATOM 165 O4' DC A 6 0.750 5.744 -5.299 1.00 0.00 O ATOM 166 C3' DC A 6 1.938 7.316 -6.569 1.00 0.00 C ATOM 167 O3' DC A 6 0.942 7.728 -7.498 1.00 0.00 O ATOM 168 C2' DC A 6 1.714 7.882 -5.167 1.00 0.00 C ATOM 169 C1' DC A 6 0.882 6.846 -4.406 1.00 0.00 C ATOM 170 N1 DC A 6 1.321 6.560 -2.991 1.00 0.00 N ATOM 171 C2 DC A 6 0.308 6.355 -2.051 1.00 0.00 C ATOM 172 O2 DC A 6 -0.865 6.220 -2.386 1.00 0.00 O ATOM 173 N3 DC A 6 0.607 6.299 -0.724 1.00 0.00 N ATOM 174 C4 DC A 6 1.867 6.423 -0.307 1.00 0.00 C ATOM 175 N4 DC A 6 2.115 6.295 0.989 1.00 0.00 N ATOM 176 C5 DC A 6 2.941 6.589 -1.230 1.00 0.00 C ATOM 177 C6 DC A 6 2.622 6.673 -2.541 1.00 0.00 C ATOM 0 H5' DC A 6 3.796 5.147 -6.326 1.00 0.00 H new ATOM 0 H5'' DC A 6 3.151 5.450 -4.725 1.00 0.00 H new ATOM 0 H4' DC A 6 1.522 5.390 -7.304 1.00 0.00 H new ATOM 0 H3' DC A 6 2.897 7.627 -6.984 1.00 0.00 H new ATOM 0 H2' DC A 6 2.665 8.061 -4.665 1.00 0.00 H new ATOM 0 H2'' DC A 6 1.194 8.839 -5.214 1.00 0.00 H new ATOM 0 H1' DC A 6 -0.108 7.229 -4.158 1.00 0.00 H new ATOM 0 H41 DC A 6 3.070 6.385 1.337 1.00 0.00 H new ATOM 0 H42 DC A 6 1.351 6.107 1.638 1.00 0.00 H new ATOM 0 H5 DC A 6 3.966 6.645 -0.896 1.00 0.00 H new ATOM 0 H6 DC A 6 3.411 6.834 -3.261 1.00 0.00 H new ATOM 189 P DG A 7 0.670 9.277 -7.886 1.00 0.00 P ATOM 190 OP1 DG A 7 0.065 9.309 -9.234 1.00 0.00 O ATOM 191 OP2 DG A 7 1.911 10.037 -7.622 1.00 0.00 O ATOM 192 O5' DG A 7 -0.457 9.749 -6.817 1.00 0.00 O ATOM 193 C5' DG A 7 -1.748 9.173 -6.836 1.00 0.00 C ATOM 194 C4' DG A 7 -2.722 9.788 -5.820 1.00 0.00 C ATOM 195 O4' DG A 7 -2.296 9.552 -4.490 1.00 0.00 O ATOM 196 C3' DG A 7 -2.879 11.302 -5.981 1.00 0.00 C ATOM 197 O3' DG A 7 -4.254 11.596 -5.786 1.00 0.00 O ATOM 198 C2' DG A 7 -1.943 11.826 -4.904 1.00 0.00 C ATOM 199 C1' DG A 7 -2.105 10.782 -3.808 1.00 0.00 C ATOM 200 N9 DG A 7 -0.979 10.591 -2.871 1.00 0.00 N ATOM 201 C8 DG A 7 0.366 10.647 -3.118 1.00 0.00 C ATOM 202 N7 DG A 7 1.109 10.234 -2.129 1.00 0.00 N ATOM 203 C5 DG A 7 0.191 9.912 -1.132 1.00 0.00 C ATOM 204 C6 DG A 7 0.388 9.489 0.219 1.00 0.00 C ATOM 205 O6 DG A 7 1.446 9.236 0.787 1.00 0.00 O ATOM 206 N1 DG A 7 -0.796 9.365 0.929 1.00 0.00 N ATOM 207 C2 DG A 7 -2.039 9.584 0.394 1.00 0.00 C ATOM 208 N2 DG A 7 -3.092 9.446 1.192 1.00 0.00 N ATOM 209 N3 DG A 7 -2.240 9.975 -0.871 1.00 0.00 N ATOM 210 C4 DG A 7 -1.089 10.131 -1.577 1.00 0.00 C ATOM 0 H5' DG A 7 -1.661 8.104 -6.639 1.00 0.00 H new ATOM 0 H5'' DG A 7 -2.167 9.280 -7.836 1.00 0.00 H new ATOM 0 H4' DG A 7 -3.678 9.303 -6.018 1.00 0.00 H new ATOM 0 H3' DG A 7 -2.626 11.745 -6.944 1.00 0.00 H new ATOM 0 H2' DG A 7 -0.913 11.892 -5.255 1.00 0.00 H new ATOM 0 H2'' DG A 7 -2.229 12.822 -4.564 1.00 0.00 H new ATOM 0 H1' DG A 7 -2.924 11.128 -3.177 1.00 0.00 H new ATOM 0 H8 DG A 7 0.777 11.003 -4.051 1.00 0.00 H new ATOM 0 H1 DG A 7 -0.739 9.094 1.911 1.00 0.00 H new ATOM 0 H21 DG A 7 -4.032 9.601 0.828 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.961 9.185 2.169 1.00 0.00 H new ATOM 222 P DC A 8 -4.874 13.070 -5.967 1.00 0.00 P ATOM 223 OP1 DC A 8 -6.287 12.930 -6.379 1.00 0.00 O ATOM 224 OP2 DC A 8 -3.939 13.860 -6.798 1.00 0.00 O ATOM 225 O5' DC A 8 -4.837 13.645 -4.468 1.00 0.00 O ATOM 226 C5' DC A 8 -5.838 13.330 -3.518 1.00 0.00 C ATOM 227 C4' DC A 8 -5.400 13.814 -2.129 1.00 0.00 C ATOM 228 O4' DC A 8 -4.299 13.018 -1.697 1.00 0.00 O ATOM 229 C3' DC A 8 -4.925 15.281 -2.145 1.00 0.00 C ATOM 230 O3' DC A 8 -5.353 15.979 -0.993 1.00 0.00 O ATOM 231 C2' DC A 8 -3.415 15.089 -2.151 1.00 0.00 C ATOM 232 C1' DC A 8 -3.332 13.906 -1.183 1.00 0.00 C ATOM 233 N1 DC A 8 -1.983 13.337 -0.975 1.00 0.00 N ATOM 234 C2 DC A 8 -1.618 12.870 0.287 1.00 0.00 C ATOM 235 O2 DC A 8 -2.461 12.630 1.147 1.00 0.00 O ATOM 236 N3 DC A 8 -0.295 12.679 0.570 1.00 0.00 N ATOM 237 C4 DC A 8 0.642 12.993 -0.335 1.00 0.00 C ATOM 238 N4 DC A 8 1.916 12.772 -0.044 1.00 0.00 N ATOM 239 C5 DC A 8 0.281 13.514 -1.615 1.00 0.00 C ATOM 240 C6 DC A 8 -1.025 13.637 -1.877 1.00 0.00 C ATOM 0 H5' DC A 8 -6.012 12.254 -3.501 1.00 0.00 H new ATOM 0 H5'' DC A 8 -6.780 13.801 -3.798 1.00 0.00 H new ATOM 0 H4' DC A 8 -6.261 13.730 -1.466 1.00 0.00 H new ATOM 0 H3' DC A 8 -5.311 15.871 -2.976 1.00 0.00 H new ATOM 0 H2' DC A 8 -3.022 14.854 -3.140 1.00 0.00 H new ATOM 0 H2'' DC A 8 -2.876 15.966 -1.794 1.00 0.00 H new ATOM 0 HO3' DC A 8 -5.034 16.905 -1.034 1.00 0.00 H new ATOM 0 H1' DC A 8 -3.539 14.197 -0.153 1.00 0.00 H new ATOM 0 H41 DC A 8 2.642 13.005 -0.722 1.00 0.00 H new ATOM 0 H42 DC A 8 2.171 12.369 0.858 1.00 0.00 H new ATOM 0 H5 DC A 8 1.030 13.796 -2.340 1.00 0.00 H new ATOM 0 H6 DC A 8 -1.326 13.991 -2.852 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 9 4.217 10.800 11.210 1.00 0.00 O ATOM 255 C5' DG B 9 3.577 10.931 9.959 1.00 0.00 C ATOM 256 C4' DG B 9 2.097 11.285 10.158 1.00 0.00 C ATOM 257 O4' DG B 9 1.528 11.899 9.010 1.00 0.00 O ATOM 258 C3' DG B 9 1.254 10.058 10.428 1.00 0.00 C ATOM 259 O3' DG B 9 0.157 10.446 11.240 1.00 0.00 O ATOM 260 C2' DG B 9 0.860 9.628 9.020 1.00 0.00 C ATOM 261 C1' DG B 9 0.875 10.919 8.211 1.00 0.00 C ATOM 262 N9 DG B 9 1.535 10.826 6.884 1.00 0.00 N ATOM 263 C8 DG B 9 2.839 10.522 6.577 1.00 0.00 C ATOM 264 N7 DG B 9 3.143 10.658 5.319 1.00 0.00 N ATOM 265 C5 DG B 9 1.960 11.101 4.739 1.00 0.00 C ATOM 266 C6 DG B 9 1.674 11.466 3.390 1.00 0.00 C ATOM 267 O6 DG B 9 2.440 11.488 2.431 1.00 0.00 O ATOM 268 N1 DG B 9 0.352 11.834 3.201 1.00 0.00 N ATOM 269 C2 DG B 9 -0.586 11.876 4.201 1.00 0.00 C ATOM 270 N2 DG B 9 -1.831 12.212 3.886 1.00 0.00 N ATOM 271 N3 DG B 9 -0.324 11.566 5.475 1.00 0.00 N ATOM 272 C4 DG B 9 0.967 11.191 5.682 1.00 0.00 C ATOM 0 H5' DG B 9 3.664 10.000 9.398 1.00 0.00 H new ATOM 0 H5'' DG B 9 4.068 11.705 9.370 1.00 0.00 H new ATOM 0 H4' DG B 9 2.090 11.967 11.008 1.00 0.00 H new ATOM 0 H3' DG B 9 1.736 9.242 10.967 1.00 0.00 H new ATOM 0 H2' DG B 9 1.562 8.898 8.616 1.00 0.00 H new ATOM 0 H2'' DG B 9 -0.126 9.163 9.008 1.00 0.00 H new ATOM 0 HO5' DG B 9 5.160 10.572 11.073 1.00 0.00 H new ATOM 0 H1' DG B 9 -0.159 11.175 7.981 1.00 0.00 H new ATOM 0 H8 DG B 9 3.553 10.197 7.319 1.00 0.00 H new ATOM 0 H1 DG B 9 0.057 12.090 2.259 1.00 0.00 H new ATOM 0 H21 DG B 9 -2.548 12.251 4.611 1.00 0.00 H new ATOM 0 H22 DG B 9 -2.071 12.431 2.919 1.00 0.00 H new ATOM 285 P DC B 10 -0.921 9.396 11.819 1.00 0.00 P ATOM 286 OP1 DC B 10 -1.631 10.039 12.946 1.00 0.00 O ATOM 287 OP2 DC B 10 -0.242 8.098 12.020 1.00 0.00 O ATOM 288 O5' DC B 10 -1.952 9.258 10.591 1.00 0.00 O ATOM 289 C5' DC B 10 -2.729 10.361 10.173 1.00 0.00 C ATOM 290 C4' DC B 10 -3.359 10.083 8.806 1.00 0.00 C ATOM 291 O4' DC B 10 -2.371 10.033 7.785 1.00 0.00 O ATOM 292 C3' DC B 10 -4.111 8.745 8.754 1.00 0.00 C ATOM 293 O3' DC B 10 -5.429 9.027 8.323 1.00 0.00 O ATOM 294 C2' DC B 10 -3.276 7.951 7.737 1.00 0.00 C ATOM 295 C1' DC B 10 -2.774 9.063 6.841 1.00 0.00 C ATOM 296 N1 DC B 10 -1.693 8.670 5.898 1.00 0.00 N ATOM 297 C2 DC B 10 -1.827 8.902 4.528 1.00 0.00 C ATOM 298 O2 DC B 10 -2.893 9.276 4.039 1.00 0.00 O ATOM 299 N3 DC B 10 -0.750 8.712 3.706 1.00 0.00 N ATOM 300 C4 DC B 10 0.387 8.211 4.208 1.00 0.00 C ATOM 301 N4 DC B 10 1.466 8.184 3.434 1.00 0.00 N ATOM 302 C5 DC B 10 0.513 7.873 5.590 1.00 0.00 C ATOM 303 C6 DC B 10 -0.543 8.134 6.384 1.00 0.00 C ATOM 0 H5' DC B 10 -2.105 11.253 10.118 1.00 0.00 H new ATOM 0 H5'' DC B 10 -3.510 10.562 10.906 1.00 0.00 H new ATOM 0 H4' DC B 10 -4.058 10.904 8.646 1.00 0.00 H new ATOM 0 H3' DC B 10 -4.213 8.191 9.687 1.00 0.00 H new ATOM 0 H2' DC B 10 -2.461 7.404 8.211 1.00 0.00 H new ATOM 0 H2'' DC B 10 -3.875 7.221 7.192 1.00 0.00 H new ATOM 0 H1' DC B 10 -3.534 9.411 6.142 1.00 0.00 H new ATOM 0 H41 DC B 10 2.343 7.807 3.794 1.00 0.00 H new ATOM 0 H42 DC B 10 1.418 8.540 2.479 1.00 0.00 H new ATOM 0 H5 DC B 10 1.416 7.428 5.981 1.00 0.00 H new ATOM 0 H6 DC B 10 -0.474 7.911 7.438 1.00 0.00 H new ATOM 315 P DG B 11 -6.514 7.871 8.076 1.00 0.00 P ATOM 316 OP1 DG B 11 -7.857 8.426 8.349 1.00 0.00 O ATOM 317 OP2 DG B 11 -6.067 6.652 8.784 1.00 0.00 O ATOM 318 O5' DG B 11 -6.376 7.620 6.489 1.00 0.00 O ATOM 319 C5' DG B 11 -6.847 8.559 5.540 1.00 0.00 C ATOM 320 C4' DG B 11 -7.480 7.845 4.332 1.00 0.00 C ATOM 321 O4' DG B 11 -6.488 7.557 3.373 1.00 0.00 O ATOM 322 C3' DG B 11 -8.153 6.518 4.698 1.00 0.00 C ATOM 323 O3' DG B 11 -9.278 6.335 3.860 1.00 0.00 O ATOM 324 C2' DG B 11 -7.016 5.525 4.472 1.00 0.00 C ATOM 325 C1' DG B 11 -6.233 6.168 3.326 1.00 0.00 C ATOM 326 N9 DG B 11 -4.773 5.995 3.418 1.00 0.00 N ATOM 327 C8 DG B 11 -4.005 5.795 4.531 1.00 0.00 C ATOM 328 N7 DG B 11 -2.722 5.839 4.318 1.00 0.00 N ATOM 329 C5 DG B 11 -2.630 6.058 2.945 1.00 0.00 C ATOM 330 C6 DG B 11 -1.491 6.092 2.090 1.00 0.00 C ATOM 331 O6 DG B 11 -0.310 5.995 2.405 1.00 0.00 O ATOM 332 N1 DG B 11 -1.821 6.255 0.756 1.00 0.00 N ATOM 333 C2 DG B 11 -3.108 6.373 0.288 1.00 0.00 C ATOM 334 N2 DG B 11 -3.299 6.498 -1.019 1.00 0.00 N ATOM 335 N3 DG B 11 -4.188 6.305 1.073 1.00 0.00 N ATOM 336 C4 DG B 11 -3.880 6.150 2.387 1.00 0.00 C ATOM 0 H5' DG B 11 -6.023 9.189 5.205 1.00 0.00 H new ATOM 0 H5'' DG B 11 -7.581 9.216 6.006 1.00 0.00 H new ATOM 0 H4' DG B 11 -8.239 8.526 3.947 1.00 0.00 H new ATOM 0 H3' DG B 11 -8.554 6.429 5.708 1.00 0.00 H new ATOM 0 H2' DG B 11 -6.402 5.403 5.364 1.00 0.00 H new ATOM 0 H2'' DG B 11 -7.389 4.536 4.204 1.00 0.00 H new ATOM 0 H1' DG B 11 -6.558 5.683 2.406 1.00 0.00 H new ATOM 0 H8 DG B 11 -4.429 5.615 5.508 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.061 6.290 0.077 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.245 6.587 -1.390 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.500 6.505 -1.653 1.00 0.00 H new ATOM 348 P DT B 12 -10.258 5.069 4.019 1.00 0.00 P ATOM 349 OP1 DT B 12 -11.585 5.438 3.483 1.00 0.00 O ATOM 350 OP2 DT B 12 -10.135 4.559 5.402 1.00 0.00 O ATOM 351 O5' DT B 12 -9.575 4.018 3.015 1.00 0.00 O ATOM 352 C5' DT B 12 -9.874 4.039 1.637 1.00 0.00 C ATOM 353 C4' DT B 12 -8.904 3.144 0.865 1.00 0.00 C ATOM 354 O4' DT B 12 -7.655 3.766 0.611 1.00 0.00 O ATOM 355 C3' DT B 12 -8.633 1.786 1.509 1.00 0.00 C ATOM 356 O3' DT B 12 -9.624 0.821 1.194 1.00 0.00 O ATOM 357 C2' DT B 12 -7.341 1.507 0.760 1.00 0.00 C ATOM 358 C1' DT B 12 -6.776 2.771 0.098 1.00 0.00 C ATOM 359 N1 DT B 12 -5.433 2.979 0.649 1.00 0.00 N ATOM 360 C2 DT B 12 -4.265 3.225 -0.074 1.00 0.00 C ATOM 361 O2 DT B 12 -4.257 3.412 -1.286 1.00 0.00 O ATOM 362 N3 DT B 12 -3.090 3.243 0.683 1.00 0.00 N ATOM 363 C4 DT B 12 -3.010 3.061 2.057 1.00 0.00 C ATOM 364 O4 DT B 12 -1.934 3.133 2.639 1.00 0.00 O ATOM 365 C5 DT B 12 -4.289 2.789 2.683 1.00 0.00 C ATOM 366 C7 DT B 12 -4.513 2.505 4.126 1.00 0.00 C ATOM 367 C6 DT B 12 -5.405 2.761 1.968 1.00 0.00 C ATOM 0 H5' DT B 12 -9.813 5.060 1.261 1.00 0.00 H new ATOM 0 H5'' DT B 12 -10.897 3.700 1.476 1.00 0.00 H new ATOM 0 H4' DT B 12 -9.435 2.975 -0.072 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.608 1.762 2.598 1.00 0.00 H new ATOM 0 H2' DT B 12 -6.603 1.098 1.450 1.00 0.00 H new ATOM 0 H2'' DT B 12 -7.520 0.748 -0.002 1.00 0.00 H new ATOM 0 H1' DT B 12 -6.711 2.755 -0.990 1.00 0.00 H new ATOM 0 H3 DT B 12 -2.216 3.404 0.183 1.00 0.00 H new ATOM 0 H71 DT B 12 -5.504 2.855 4.416 1.00 0.00 H new ATOM 0 H72 DT B 12 -4.441 1.432 4.301 1.00 0.00 H new ATOM 0 H73 DT B 12 -3.758 3.021 4.720 1.00 0.00 H new ATOM 0 H6 DT B 12 -6.336 2.552 2.475 1.00 0.00 H new ATOM 380 P DA B 13 -9.415 -0.750 1.537 1.00 0.00 P ATOM 381 OP1 DA B 13 -10.555 -1.496 0.965 1.00 0.00 O ATOM 382 OP2 DA B 13 -9.113 -0.857 2.980 1.00 0.00 O ATOM 383 O5' DA B 13 -8.084 -1.146 0.704 1.00 0.00 O ATOM 384 C5' DA B 13 -8.051 -1.073 -0.711 1.00 0.00 C ATOM 385 C4' DA B 13 -6.632 -0.833 -1.293 1.00 0.00 C ATOM 386 O4' DA B 13 -5.543 -1.056 -0.436 1.00 0.00 O ATOM 387 C3' DA B 13 -6.533 -1.838 -2.432 1.00 0.00 C ATOM 388 O3' DA B 13 -5.755 -1.302 -3.491 1.00 0.00 O ATOM 389 C2' DA B 13 -5.884 -2.967 -1.602 1.00 0.00 C ATOM 390 C1' DA B 13 -4.806 -2.167 -0.895 1.00 0.00 C ATOM 391 N9 DA B 13 -4.272 -2.749 0.336 1.00 0.00 N ATOM 392 C8 DA B 13 -4.898 -2.761 1.550 1.00 0.00 C ATOM 393 N7 DA B 13 -4.116 -3.050 2.556 1.00 0.00 N ATOM 394 C5 DA B 13 -2.865 -3.183 1.953 1.00 0.00 C ATOM 395 C6 DA B 13 -1.564 -3.386 2.446 1.00 0.00 C ATOM 396 N6 DA B 13 -1.283 -3.525 3.741 1.00 0.00 N ATOM 397 N1 DA B 13 -0.540 -3.351 1.583 1.00 0.00 N ATOM 398 C2 DA B 13 -0.769 -3.130 0.296 1.00 0.00 C ATOM 399 N3 DA B 13 -1.935 -2.933 -0.295 1.00 0.00 N ATOM 400 C4 DA B 13 -2.950 -2.968 0.603 1.00 0.00 C ATOM 0 H5' DA B 13 -8.709 -0.269 -1.039 1.00 0.00 H new ATOM 0 H5'' DA B 13 -8.450 -2.000 -1.123 1.00 0.00 H new ATOM 0 H4' DA B 13 -6.553 0.223 -1.550 1.00 0.00 H new ATOM 0 H3' DA B 13 -7.431 -2.143 -2.969 1.00 0.00 H new ATOM 0 H2' DA B 13 -6.584 -3.433 -0.908 1.00 0.00 H new ATOM 0 H2'' DA B 13 -5.475 -3.763 -2.224 1.00 0.00 H new ATOM 0 H1' DA B 13 -3.964 -2.034 -1.575 1.00 0.00 H new ATOM 0 H8 DA B 13 -5.950 -2.549 1.668 1.00 0.00 H new ATOM 0 H61 DA B 13 -0.319 -3.670 4.041 1.00 0.00 H new ATOM 0 H62 DA B 13 -2.032 -3.486 4.432 1.00 0.00 H new ATOM 0 H2 DA B 13 0.100 -3.108 -0.345 1.00 0.00 H new ATOM 412 P DC B 14 -5.871 -1.855 -5.011 1.00 0.00 P ATOM 413 OP1 DC B 14 -6.091 -0.695 -5.901 1.00 0.00 O ATOM 414 OP2 DC B 14 -6.838 -2.975 -5.017 1.00 0.00 O ATOM 415 O5' DC B 14 -4.413 -2.467 -5.305 1.00 0.00 O ATOM 416 C5' DC B 14 -3.874 -3.415 -4.417 1.00 0.00 C ATOM 417 C4' DC B 14 -2.425 -3.769 -4.724 1.00 0.00 C ATOM 418 O4' DC B 14 -1.768 -3.872 -3.469 1.00 0.00 O ATOM 419 C3' DC B 14 -2.319 -5.119 -5.435 1.00 0.00 C ATOM 420 O3' DC B 14 -1.225 -5.110 -6.339 1.00 0.00 O ATOM 421 C2' DC B 14 -2.105 -6.054 -4.262 1.00 0.00 C ATOM 422 C1' DC B 14 -1.402 -5.211 -3.215 1.00 0.00 C ATOM 423 N1 DC B 14 -1.781 -5.691 -1.874 1.00 0.00 N ATOM 424 C2 DC B 14 -0.799 -6.155 -1.016 1.00 0.00 C ATOM 425 O2 DC B 14 0.350 -6.352 -1.395 1.00 0.00 O ATOM 426 N3 DC B 14 -1.115 -6.398 0.279 1.00 0.00 N ATOM 427 C4 DC B 14 -2.375 -6.263 0.700 1.00 0.00 C ATOM 428 N4 DC B 14 -2.569 -6.362 2.009 1.00 0.00 N ATOM 429 C5 DC B 14 -3.438 -5.885 -0.197 1.00 0.00 C ATOM 430 C6 DC B 14 -3.077 -5.628 -1.472 1.00 0.00 C ATOM 0 H5' DC B 14 -4.478 -4.322 -4.453 1.00 0.00 H new ATOM 0 H5'' DC B 14 -3.939 -3.029 -3.400 1.00 0.00 H new ATOM 0 H4' DC B 14 -1.986 -3.012 -5.374 1.00 0.00 H new ATOM 0 H3' DC B 14 -3.177 -5.396 -6.048 1.00 0.00 H new ATOM 0 H2' DC B 14 -3.053 -6.441 -3.887 1.00 0.00 H new ATOM 0 H2'' DC B 14 -1.500 -6.915 -4.548 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.315 -5.286 -3.259 1.00 0.00 H new ATOM 0 H41 DC B 14 -3.509 -6.268 2.394 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.778 -6.532 2.630 1.00 0.00 H new ATOM 0 H5 DC B 14 -4.464 -5.812 0.132 1.00 0.00 H new ATOM 0 H6 DC B 14 -3.839 -5.365 -2.191 1.00 0.00 H new ATOM 442 P DG B 15 -0.808 -6.409 -7.212 1.00 0.00 P ATOM 443 OP1 DG B 15 -0.242 -5.931 -8.492 1.00 0.00 O ATOM 444 OP2 DG B 15 -1.958 -7.339 -7.226 1.00 0.00 O ATOM 445 O5' DG B 15 0.381 -7.096 -6.351 1.00 0.00 O ATOM 446 C5' DG B 15 1.641 -6.464 -6.248 1.00 0.00 C ATOM 447 C4' DG B 15 2.708 -7.306 -5.536 1.00 0.00 C ATOM 448 O4' DG B 15 2.323 -7.583 -4.204 1.00 0.00 O ATOM 449 C3' DG B 15 2.982 -8.650 -6.218 1.00 0.00 C ATOM 450 O3' DG B 15 4.386 -8.852 -6.165 1.00 0.00 O ATOM 451 C2' DG B 15 2.156 -9.605 -5.373 1.00 0.00 C ATOM 452 C1' DG B 15 2.298 -8.985 -3.991 1.00 0.00 C ATOM 453 N9 DG B 15 1.216 -9.264 -3.028 1.00 0.00 N ATOM 454 C8 DG B 15 -0.139 -9.275 -3.223 1.00 0.00 C ATOM 455 N7 DG B 15 -0.837 -9.349 -2.121 1.00 0.00 N ATOM 456 C5 DG B 15 0.129 -9.379 -1.114 1.00 0.00 C ATOM 457 C6 DG B 15 0.010 -9.431 0.311 1.00 0.00 C ATOM 458 O6 DG B 15 -1.009 -9.534 0.988 1.00 0.00 O ATOM 459 N1 DG B 15 1.237 -9.352 0.959 1.00 0.00 N ATOM 460 C2 DG B 15 2.446 -9.325 0.312 1.00 0.00 C ATOM 461 N2 DG B 15 3.553 -9.297 1.042 1.00 0.00 N ATOM 462 N3 DG B 15 2.574 -9.323 -1.016 1.00 0.00 N ATOM 463 C4 DG B 15 1.383 -9.322 -1.667 1.00 0.00 C ATOM 0 H5' DG B 15 1.520 -5.522 -5.713 1.00 0.00 H new ATOM 0 H5'' DG B 15 1.995 -6.219 -7.249 1.00 0.00 H new ATOM 0 H4' DG B 15 3.615 -6.703 -5.574 1.00 0.00 H new ATOM 0 H3' DG B 15 2.712 -8.758 -7.269 1.00 0.00 H new ATOM 0 H2' DG B 15 1.117 -9.648 -5.699 1.00 0.00 H new ATOM 0 H2'' DG B 15 2.543 -10.623 -5.408 1.00 0.00 H new ATOM 0 H1' DG B 15 3.192 -9.418 -3.543 1.00 0.00 H new ATOM 0 H8 DG B 15 -0.592 -9.227 -4.202 1.00 0.00 H new ATOM 0 H1 DG B 15 1.238 -9.312 1.978 1.00 0.00 H new ATOM 0 H21 DG B 15 4.465 -9.277 0.585 1.00 0.00 H new ATOM 0 H22 DG B 15 3.493 -9.296 2.060 1.00 0.00 H new ATOM 475 P DC B 16 5.119 -10.146 -6.782 1.00 0.00 P ATOM 476 OP1 DC B 16 6.479 -9.749 -7.203 1.00 0.00 O ATOM 477 OP2 DC B 16 4.198 -10.770 -7.757 1.00 0.00 O ATOM 478 O5' DC B 16 5.246 -11.113 -5.502 1.00 0.00 O ATOM 479 C5' DC B 16 6.277 -10.959 -4.544 1.00 0.00 C ATOM 480 C4' DC B 16 6.035 -11.902 -3.355 1.00 0.00 C ATOM 481 O4' DC B 16 4.887 -11.455 -2.641 1.00 0.00 O ATOM 482 C3' DC B 16 5.754 -13.351 -3.808 1.00 0.00 C ATOM 483 O3' DC B 16 6.352 -14.303 -2.952 1.00 0.00 O ATOM 484 C2' DC B 16 4.237 -13.391 -3.694 1.00 0.00 C ATOM 485 C1' DC B 16 4.089 -12.593 -2.396 1.00 0.00 C ATOM 486 N1 DC B 16 2.702 -12.335 -1.961 1.00 0.00 N ATOM 487 C2 DC B 16 2.367 -12.379 -0.606 1.00 0.00 C ATOM 488 O2 DC B 16 3.222 -12.331 0.277 1.00 0.00 O ATOM 489 N3 DC B 16 1.051 -12.478 -0.254 1.00 0.00 N ATOM 490 C4 DC B 16 0.104 -12.591 -1.195 1.00 0.00 C ATOM 491 N4 DC B 16 -1.166 -12.664 -0.825 1.00 0.00 N ATOM 492 C5 DC B 16 0.440 -12.573 -2.584 1.00 0.00 C ATOM 493 C6 DC B 16 1.730 -12.420 -2.893 1.00 0.00 C ATOM 0 H5' DC B 16 6.312 -9.926 -4.198 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.243 -11.175 -5.000 1.00 0.00 H new ATOM 0 H4' DC B 16 6.936 -11.890 -2.742 1.00 0.00 H new ATOM 0 H3' DC B 16 6.150 -13.592 -4.794 1.00 0.00 H new ATOM 0 H2' DC B 16 3.736 -12.920 -4.540 1.00 0.00 H new ATOM 0 H2'' DC B 16 3.845 -14.405 -3.615 1.00 0.00 H new ATOM 0 HO3' DC B 16 6.148 -15.206 -3.274 1.00 0.00 H new ATOM 0 H1' DC B 16 4.424 -13.148 -1.519 1.00 0.00 H new ATOM 0 H41 DC B 16 -1.898 -12.750 -1.530 1.00 0.00 H new ATOM 0 H42 DC B 16 -1.411 -12.634 0.165 1.00 0.00 H new ATOM 0 H5 DC B 16 -0.315 -12.678 -3.349 1.00 0.00 H new ATOM 0 H6 DC B 16 2.008 -12.362 -3.935 1.00 0.00 H new TER 506 DC B 16 HETATM 507 O1 PSO A 9 -0.953 0.174 -0.481 1.00 0.00 O HETATM 508 C2 PSO A 9 -2.202 0.232 -0.202 1.00 0.00 C HETATM 509 C3 PSO A 9 -2.704 0.162 1.106 1.00 0.00 C HETATM 510 C4 PSO A 9 -1.802 0.035 2.154 1.00 0.00 C HETATM 511 C5 PSO A 9 0.550 0.074 2.825 1.00 0.00 C HETATM 512 C6 PSO A 9 1.895 0.198 2.454 1.00 0.00 C HETATM 513 C7 PSO A 9 2.263 0.183 1.153 1.00 0.00 C HETATM 514 C8 PSO A 9 1.274 0.068 0.147 1.00 0.00 C HETATM 515 C9 PSO A 9 -0.099 0.122 0.486 1.00 0.00 C HETATM 516 C10 PSO A 9 -0.444 0.083 1.829 1.00 0.00 C HETATM 517 C4' PSO A 9 3.072 0.005 3.361 1.00 0.00 C HETATM 518 C5' PSO A 9 4.158 0.000 2.267 1.00 0.00 C HETATM 519 O6' PSO A 9 3.517 0.201 0.978 1.00 0.00 O HETATM 520 O11 PSO A 9 -3.001 0.355 -1.127 1.00 0.00 O HETATM 521 C12 PSO A 9 -2.268 -0.144 3.579 1.00 0.00 C HETATM 522 C13 PSO A 9 3.120 0.991 4.545 1.00 0.00 C HETATM 523 O14 PSO A 9 1.899 1.619 4.864 1.00 0.00 O HETATM 524 C15 PSO A 9 5.443 0.786 2.594 1.00 0.00 C HETATM 525 C16 PSO A 9 1.652 -0.120 -1.307 1.00 0.00 C HETATM 0 H163 PSO A 9 2.251 0.728 -1.640 1.00 0.00 H new HETATM 0 H162 PSO A 9 2.230 -1.038 -1.417 1.00 0.00 H new HETATM 0 H161 PSO A 9 0.748 -0.186 -1.912 1.00 0.00 H new HETATM 0 H153 PSO A 9 5.194 1.832 2.771 1.00 0.00 H new HETATM 0 H152 PSO A 9 5.908 0.368 3.486 1.00 0.00 H new HETATM 0 H151 PSO A 9 6.136 0.715 1.756 1.00 0.00 H new HETATM 0 H132 PSO A 9 3.474 0.456 5.426 1.00 0.00 H new HETATM 0 H131 PSO A 9 3.858 1.762 4.323 1.00 0.00 H new HETATM 0 H123 PSO A 9 -2.872 0.714 3.875 1.00 0.00 H new HETATM 0 H122 PSO A 9 -2.866 -1.052 3.655 1.00 0.00 H new HETATM 0 H121 PSO A 9 -1.403 -0.223 4.238 1.00 0.00 H new HETATM 0 H5 PSO A 9 0.276 -0.028 3.875 1.00 0.00 H new HETATM 0 H3 PSO A 9 -3.777 0.206 1.295 1.00 0.00 H new HETATM 0 H14 PSO A 9 2.030 2.221 5.626 1.00 0.00 H new