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 -26:sc= 0.0327 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.42 (180deg=-1.42) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 PSO O14 : rot 180:sc= -0.669 USER MOD Single : B 9 DG O5' : rot -25:sc= 0.0199 USER MOD Single : B 12 DT C7 :methyl 150:sc= -1.71 (180deg=-1.71) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -1.693 -11.783 9.383 1.00 0.00 O ATOM 2 C5' DG A 1 -1.360 -10.414 9.331 1.00 0.00 C ATOM 3 C4' DG A 1 0.126 -10.285 8.983 1.00 0.00 C ATOM 4 O4' DG A 1 0.365 -10.927 7.737 1.00 0.00 O ATOM 5 C3' DG A 1 0.544 -8.822 8.822 1.00 0.00 C ATOM 6 O3' DG A 1 1.917 -8.713 9.152 1.00 0.00 O ATOM 7 C2' DG A 1 0.254 -8.607 7.341 1.00 0.00 C ATOM 8 C1' DG A 1 0.629 -9.960 6.732 1.00 0.00 C ATOM 9 N9 DG A 1 -0.148 -10.283 5.510 1.00 0.00 N ATOM 10 C8 DG A 1 -1.509 -10.263 5.338 1.00 0.00 C ATOM 11 N7 DG A 1 -1.910 -10.644 4.159 1.00 0.00 N ATOM 12 C5 DG A 1 -0.730 -10.965 3.496 1.00 0.00 C ATOM 13 C6 DG A 1 -0.518 -11.440 2.165 1.00 0.00 C ATOM 14 O6 DG A 1 -1.357 -11.671 1.297 1.00 0.00 O ATOM 15 N1 DG A 1 0.819 -11.649 1.876 1.00 0.00 N ATOM 16 C2 DG A 1 1.844 -11.417 2.761 1.00 0.00 C ATOM 17 N2 DG A 1 3.088 -11.660 2.363 1.00 0.00 N ATOM 18 N3 DG A 1 1.664 -10.955 4.004 1.00 0.00 N ATOM 19 C4 DG A 1 0.354 -10.753 4.314 1.00 0.00 C ATOM 0 H5' DG A 1 -1.567 -9.938 10.289 1.00 0.00 H new ATOM 0 H5'' DG A 1 -1.969 -9.905 8.584 1.00 0.00 H new ATOM 0 H4' DG A 1 0.695 -10.738 9.795 1.00 0.00 H new ATOM 0 H3' DG A 1 0.041 -8.088 9.452 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.792 -8.358 7.164 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.850 -7.795 6.924 1.00 0.00 H new ATOM 0 HO5' DG A 1 -1.085 -12.290 8.805 1.00 0.00 H new ATOM 0 H1' DG A 1 1.674 -9.944 6.423 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.192 -9.956 6.117 1.00 0.00 H new ATOM 0 H1 DG A 1 1.059 -11.997 0.948 1.00 0.00 H new ATOM 0 H21 DG A 1 3.868 -11.497 2.999 1.00 0.00 H new ATOM 0 H22 DG A 1 3.263 -12.010 1.421 1.00 0.00 H new ATOM 32 P DC A 2 2.731 -7.321 9.085 1.00 0.00 P ATOM 33 OP1 DC A 2 3.626 -7.255 10.259 1.00 0.00 O ATOM 34 OP2 DC A 2 1.770 -6.226 8.829 1.00 0.00 O ATOM 35 O5' DC A 2 3.637 -7.528 7.770 1.00 0.00 O ATOM 36 C5' DC A 2 4.626 -8.537 7.746 1.00 0.00 C ATOM 37 C4' DC A 2 5.314 -8.610 6.381 1.00 0.00 C ATOM 38 O4' DC A 2 4.374 -8.894 5.371 1.00 0.00 O ATOM 39 C3' DC A 2 6.025 -7.313 5.981 1.00 0.00 C ATOM 40 O3' DC A 2 7.319 -7.731 5.583 1.00 0.00 O ATOM 41 C2' DC A 2 5.156 -6.738 4.853 1.00 0.00 C ATOM 42 C1' DC A 2 4.571 -8.017 4.279 1.00 0.00 C ATOM 43 N1 DC A 2 3.245 -7.825 3.648 1.00 0.00 N ATOM 44 C2 DC A 2 3.045 -8.317 2.368 1.00 0.00 C ATOM 45 O2 DC A 2 3.993 -8.667 1.673 1.00 0.00 O ATOM 46 N3 DC A 2 1.782 -8.416 1.876 1.00 0.00 N ATOM 47 C4 DC A 2 0.746 -7.986 2.604 1.00 0.00 C ATOM 48 N4 DC A 2 -0.472 -8.211 2.132 1.00 0.00 N ATOM 49 C5 DC A 2 0.913 -7.465 3.926 1.00 0.00 C ATOM 50 C6 DC A 2 2.180 -7.408 4.401 1.00 0.00 C ATOM 0 H5' DC A 2 4.171 -9.500 7.978 1.00 0.00 H new ATOM 0 H5'' DC A 2 5.368 -8.340 8.520 1.00 0.00 H new ATOM 0 H4' DC A 2 6.059 -9.400 6.479 1.00 0.00 H new ATOM 0 H3' DC A 2 6.142 -6.540 6.741 1.00 0.00 H new ATOM 0 H2' DC A 2 4.387 -6.061 5.225 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.741 -6.184 4.120 1.00 0.00 H new ATOM 0 H1' DC A 2 5.256 -8.388 3.516 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.288 -7.899 2.658 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.593 -8.697 1.243 1.00 0.00 H new ATOM 0 H5 DC A 2 0.071 -7.134 4.516 1.00 0.00 H new ATOM 0 H6 DC A 2 2.354 -7.025 5.396 1.00 0.00 H new ATOM 62 P DG A 3 8.552 -6.722 5.434 1.00 0.00 P ATOM 63 OP1 DG A 3 9.777 -7.517 5.204 1.00 0.00 O ATOM 64 OP2 DG A 3 8.494 -5.751 6.548 1.00 0.00 O ATOM 65 O5' DG A 3 8.153 -5.983 4.077 1.00 0.00 O ATOM 66 C5' DG A 3 8.271 -6.609 2.817 1.00 0.00 C ATOM 67 C4' DG A 3 7.730 -5.655 1.748 1.00 0.00 C ATOM 68 O4' DG A 3 6.412 -5.900 1.337 1.00 0.00 O ATOM 69 C3' DG A 3 7.812 -4.182 2.136 1.00 0.00 C ATOM 70 O3' DG A 3 8.636 -3.595 1.169 1.00 0.00 O ATOM 71 C2' DG A 3 6.339 -3.844 2.208 1.00 0.00 C ATOM 72 C1' DG A 3 5.822 -4.649 1.036 1.00 0.00 C ATOM 73 N9 DG A 3 4.392 -4.900 1.008 1.00 0.00 N ATOM 74 C8 DG A 3 3.567 -4.728 2.051 1.00 0.00 C ATOM 75 N7 DG A 3 2.356 -5.167 1.882 1.00 0.00 N ATOM 76 C5 DG A 3 2.387 -5.621 0.563 1.00 0.00 C ATOM 77 C6 DG A 3 1.343 -6.120 -0.261 1.00 0.00 C ATOM 78 O6 DG A 3 0.200 -6.416 0.062 1.00 0.00 O ATOM 79 N1 DG A 3 1.730 -6.265 -1.580 1.00 0.00 N ATOM 80 C2 DG A 3 3.012 -6.108 -2.037 1.00 0.00 C ATOM 81 N2 DG A 3 3.237 -6.312 -3.330 1.00 0.00 N ATOM 82 N3 DG A 3 4.028 -5.722 -1.260 1.00 0.00 N ATOM 83 C4 DG A 3 3.635 -5.458 0.014 1.00 0.00 C ATOM 0 H5' DG A 3 7.714 -7.546 2.806 1.00 0.00 H new ATOM 0 H5'' DG A 3 9.313 -6.855 2.613 1.00 0.00 H new ATOM 0 H4' DG A 3 8.402 -5.867 0.917 1.00 0.00 H new ATOM 0 H3' DG A 3 8.267 -3.847 3.068 1.00 0.00 H new ATOM 0 H2' DG A 3 5.888 -4.148 3.153 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.151 -2.776 2.094 1.00 0.00 H new ATOM 0 H1' DG A 3 6.041 -4.140 0.097 1.00 0.00 H new ATOM 0 H8 DG A 3 3.887 -4.257 2.969 1.00 0.00 H new ATOM 0 H1 DG A 3 1.010 -6.506 -2.261 1.00 0.00 H new ATOM 0 H21 DG A 3 4.179 -6.205 -3.707 1.00 0.00 H new ATOM 0 H22 DG A 3 2.468 -6.576 -3.946 1.00 0.00 H new ATOM 95 P DT A 4 10.105 -3.084 1.576 1.00 0.00 P ATOM 96 OP1 DT A 4 10.864 -2.826 0.334 1.00 0.00 O ATOM 97 OP2 DT A 4 10.643 -4.010 2.597 1.00 0.00 O ATOM 98 O5' DT A 4 9.728 -1.669 2.268 1.00 0.00 O ATOM 99 C5' DT A 4 8.496 -0.990 2.029 1.00 0.00 C ATOM 100 C4' DT A 4 8.036 -1.021 0.551 1.00 0.00 C ATOM 101 O4' DT A 4 6.899 -1.849 0.224 1.00 0.00 O ATOM 102 C3' DT A 4 7.633 0.350 0.036 1.00 0.00 C ATOM 103 O3' DT A 4 7.914 0.260 -1.346 1.00 0.00 O ATOM 104 C2' DT A 4 6.215 0.169 0.430 1.00 0.00 C ATOM 105 C1' DT A 4 5.712 -1.105 -0.064 1.00 0.00 C ATOM 106 N1 DT A 4 4.475 -1.495 0.714 1.00 0.00 N ATOM 107 C2 DT A 4 3.455 -2.151 0.034 1.00 0.00 C ATOM 108 O2 DT A 4 3.584 -2.506 -1.131 1.00 0.00 O ATOM 109 N3 DT A 4 2.275 -2.403 0.703 1.00 0.00 N ATOM 110 C4 DT A 4 1.948 -2.061 1.994 1.00 0.00 C ATOM 111 O4 DT A 4 0.924 -2.508 2.505 1.00 0.00 O ATOM 112 C5 DT A 4 2.875 -1.119 2.772 1.00 0.00 C ATOM 113 C7 DT A 4 3.146 -1.579 4.210 1.00 0.00 C ATOM 114 C6 DT A 4 4.169 -0.777 2.014 1.00 0.00 C ATOM 0 H5' DT A 4 8.598 0.048 2.345 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.720 -1.438 2.650 1.00 0.00 H new ATOM 0 H4' DT A 4 8.932 -1.435 0.089 1.00 0.00 H new ATOM 0 H3' DT A 4 8.062 1.298 0.361 1.00 0.00 H new ATOM 0 H2' DT A 4 6.124 0.207 1.516 1.00 0.00 H new ATOM 0 H2'' DT A 4 5.613 0.985 0.031 1.00 0.00 H new ATOM 0 H1' DT A 4 5.363 -1.199 -1.092 1.00 0.00 H new ATOM 0 H3 DT A 4 1.559 -2.903 0.176 1.00 0.00 H new ATOM 0 H71 DT A 4 4.136 -1.244 4.519 1.00 0.00 H new ATOM 0 H72 DT A 4 2.395 -1.154 4.876 1.00 0.00 H new ATOM 0 H73 DT A 4 3.100 -2.667 4.259 1.00 0.00 H new ATOM 0 H6 DT A 4 4.851 -0.035 2.403 1.00 0.00 H new ATOM 127 P DA A 5 9.431 0.199 -1.908 1.00 0.00 P ATOM 128 OP1 DA A 5 9.587 -1.035 -2.704 1.00 0.00 O ATOM 129 OP2 DA A 5 10.339 0.478 -0.772 1.00 0.00 O ATOM 130 O5' DA A 5 9.435 1.451 -2.862 1.00 0.00 O ATOM 131 C5' DA A 5 8.617 2.538 -2.546 1.00 0.00 C ATOM 132 C4' DA A 5 7.235 2.362 -3.190 1.00 0.00 C ATOM 133 O4' DA A 5 6.216 1.914 -2.299 1.00 0.00 O ATOM 134 C3' DA A 5 6.863 3.741 -3.687 1.00 0.00 C ATOM 135 O3' DA A 5 6.933 3.971 -5.093 1.00 0.00 O ATOM 136 C2' DA A 5 5.499 3.860 -3.111 1.00 0.00 C ATOM 137 C1' DA A 5 4.996 2.583 -2.545 1.00 0.00 C ATOM 138 N9 DA A 5 4.319 2.910 -1.257 1.00 0.00 N ATOM 139 C8 DA A 5 4.964 3.530 -0.220 1.00 0.00 C ATOM 140 N7 DA A 5 4.210 4.136 0.642 1.00 0.00 N ATOM 141 C5 DA A 5 2.942 3.803 0.192 1.00 0.00 C ATOM 142 C6 DA A 5 1.657 4.039 0.702 1.00 0.00 C ATOM 143 N6 DA A 5 1.439 4.506 1.924 1.00 0.00 N ATOM 144 N1 DA A 5 0.610 3.802 -0.089 1.00 0.00 N ATOM 145 C2 DA A 5 0.836 3.295 -1.290 1.00 0.00 C ATOM 146 N3 DA A 5 1.973 2.961 -1.871 1.00 0.00 N ATOM 147 C4 DA A 5 3.005 3.221 -1.048 1.00 0.00 C ATOM 0 H5' DA A 5 9.075 3.462 -2.897 1.00 0.00 H new ATOM 0 H5'' DA A 5 8.515 2.624 -1.464 1.00 0.00 H new ATOM 0 H4' DA A 5 7.300 1.595 -3.961 1.00 0.00 H new ATOM 0 H3' DA A 5 7.575 4.507 -3.379 1.00 0.00 H new ATOM 0 H2' DA A 5 5.505 4.620 -2.330 1.00 0.00 H new ATOM 0 H2'' DA A 5 4.812 4.204 -3.885 1.00 0.00 H new ATOM 0 H1' DA A 5 4.296 2.016 -3.159 1.00 0.00 H new ATOM 0 H8 DA A 5 6.040 3.515 -0.126 1.00 0.00 H new ATOM 0 H61 DA A 5 0.484 4.661 2.248 1.00 0.00 H new ATOM 0 H62 DA A 5 2.226 4.710 2.540 1.00 0.00 H new ATOM 0 H2 DA A 5 -0.048 3.129 -1.888 1.00 0.00 H new ATOM 159 P DC A 6 6.038 3.196 -6.219 1.00 0.00 P ATOM 160 OP1 DC A 6 6.192 1.739 -6.030 1.00 0.00 O ATOM 161 OP2 DC A 6 6.383 3.790 -7.528 1.00 0.00 O ATOM 162 O5' DC A 6 4.500 3.571 -5.898 1.00 0.00 O ATOM 163 C5' DC A 6 3.985 4.852 -6.196 1.00 0.00 C ATOM 164 C4' DC A 6 2.515 4.969 -5.770 1.00 0.00 C ATOM 165 O4' DC A 6 2.357 4.837 -4.354 1.00 0.00 O ATOM 166 C3' DC A 6 2.002 6.369 -6.142 1.00 0.00 C ATOM 167 O3' DC A 6 0.703 6.284 -6.707 1.00 0.00 O ATOM 168 C2' DC A 6 1.995 7.005 -4.762 1.00 0.00 C ATOM 169 C1' DC A 6 1.469 5.861 -3.927 1.00 0.00 C ATOM 170 N1 DC A 6 1.555 6.248 -2.498 1.00 0.00 N ATOM 171 C2 DC A 6 0.395 6.582 -1.799 1.00 0.00 C ATOM 172 O2 DC A 6 -0.713 6.529 -2.328 1.00 0.00 O ATOM 173 N3 DC A 6 0.492 6.976 -0.498 1.00 0.00 N ATOM 174 C4 DC A 6 1.690 7.089 0.086 1.00 0.00 C ATOM 175 N4 DC A 6 1.743 7.414 1.369 1.00 0.00 N ATOM 176 C5 DC A 6 2.890 6.749 -0.612 1.00 0.00 C ATOM 177 C6 DC A 6 2.770 6.355 -1.888 1.00 0.00 C ATOM 0 H5' DC A 6 4.073 5.043 -7.265 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.576 5.613 -5.686 1.00 0.00 H new ATOM 0 H4' DC A 6 1.965 4.174 -6.273 1.00 0.00 H new ATOM 0 H3' DC A 6 2.582 6.915 -6.886 1.00 0.00 H new ATOM 0 H2' DC A 6 2.989 7.323 -4.448 1.00 0.00 H new ATOM 0 H2'' DC A 6 1.350 7.882 -4.714 1.00 0.00 H new ATOM 0 H1' DC A 6 0.427 5.560 -4.039 1.00 0.00 H new ATOM 0 H41 DC A 6 2.646 7.506 1.835 1.00 0.00 H new ATOM 0 H42 DC A 6 0.881 7.573 1.891 1.00 0.00 H new ATOM 0 H5 DC A 6 3.855 6.807 -0.131 1.00 0.00 H new ATOM 0 H6 DC A 6 3.661 6.115 -2.449 1.00 0.00 H new ATOM 189 P DG A 7 -0.108 7.593 -7.198 1.00 0.00 P ATOM 190 OP1 DG A 7 -0.774 7.257 -8.475 1.00 0.00 O ATOM 191 OP2 DG A 7 0.814 8.748 -7.145 1.00 0.00 O ATOM 192 O5' DG A 7 -1.249 7.817 -6.071 1.00 0.00 O ATOM 193 C5' DG A 7 -2.419 7.021 -6.047 1.00 0.00 C ATOM 194 C4' DG A 7 -3.564 7.577 -5.182 1.00 0.00 C ATOM 195 O4' DG A 7 -3.137 7.811 -3.852 1.00 0.00 O ATOM 196 C3' DG A 7 -4.152 8.912 -5.659 1.00 0.00 C ATOM 197 O3' DG A 7 -5.478 8.934 -5.129 1.00 0.00 O ATOM 198 C2' DG A 7 -3.197 9.865 -4.943 1.00 0.00 C ATOM 199 C1' DG A 7 -3.226 9.200 -3.567 1.00 0.00 C ATOM 200 N9 DG A 7 -2.123 9.553 -2.659 1.00 0.00 N ATOM 201 C8 DG A 7 -0.791 9.637 -2.956 1.00 0.00 C ATOM 202 N7 DG A 7 -0.026 9.824 -1.916 1.00 0.00 N ATOM 203 C5 DG A 7 -0.915 9.797 -0.838 1.00 0.00 C ATOM 204 C6 DG A 7 -0.683 9.845 0.572 1.00 0.00 C ATOM 205 O6 DG A 7 0.363 10.083 1.168 1.00 0.00 O ATOM 206 N1 DG A 7 -1.822 9.578 1.320 1.00 0.00 N ATOM 207 C2 DG A 7 -3.073 9.436 0.785 1.00 0.00 C ATOM 208 N2 DG A 7 -4.084 9.204 1.616 1.00 0.00 N ATOM 209 N3 DG A 7 -3.322 9.475 -0.528 1.00 0.00 N ATOM 210 C4 DG A 7 -2.198 9.609 -1.286 1.00 0.00 C ATOM 0 H5' DG A 7 -2.157 6.028 -5.683 1.00 0.00 H new ATOM 0 H5'' DG A 7 -2.780 6.901 -7.068 1.00 0.00 H new ATOM 0 H4' DG A 7 -4.326 6.802 -5.258 1.00 0.00 H new ATOM 0 H3' DG A 7 -4.226 9.126 -6.725 1.00 0.00 H new ATOM 0 H2' DG A 7 -2.201 9.882 -5.386 1.00 0.00 H new ATOM 0 H2'' DG A 7 -3.556 10.894 -4.926 1.00 0.00 H new ATOM 0 H1' DG A 7 -4.125 9.527 -3.044 1.00 0.00 H new ATOM 0 H8 DG A 7 -0.406 9.556 -3.962 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.720 9.482 2.330 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.030 9.093 1.250 1.00 0.00 H new ATOM 0 H22 DG A 7 -3.914 9.137 2.620 1.00 0.00 H new ATOM 222 P DC A 8 -6.790 9.512 -5.887 1.00 0.00 P ATOM 223 OP1 DC A 8 -7.971 8.928 -5.217 1.00 0.00 O ATOM 224 OP2 DC A 8 -6.601 9.302 -7.339 1.00 0.00 O ATOM 225 O5' DC A 8 -6.812 11.103 -5.600 1.00 0.00 O ATOM 226 C5' DC A 8 -6.282 11.652 -4.411 1.00 0.00 C ATOM 227 C4' DC A 8 -7.113 11.526 -3.134 1.00 0.00 C ATOM 228 O4' DC A 8 -6.299 10.845 -2.193 1.00 0.00 O ATOM 229 C3' DC A 8 -7.464 12.888 -2.514 1.00 0.00 C ATOM 230 O3' DC A 8 -8.775 13.292 -2.840 1.00 0.00 O ATOM 231 C2' DC A 8 -7.314 12.617 -1.028 1.00 0.00 C ATOM 232 C1' DC A 8 -6.180 11.595 -0.995 1.00 0.00 C ATOM 233 N1 DC A 8 -4.825 12.208 -0.801 1.00 0.00 N ATOM 234 C2 DC A 8 -4.382 12.393 0.507 1.00 0.00 C ATOM 235 O2 DC A 8 -5.154 12.267 1.454 1.00 0.00 O ATOM 236 N3 DC A 8 -3.076 12.716 0.743 1.00 0.00 N ATOM 237 C4 DC A 8 -2.235 12.901 -0.280 1.00 0.00 C ATOM 238 N4 DC A 8 -0.956 13.140 -0.023 1.00 0.00 N ATOM 239 C5 DC A 8 -2.663 12.768 -1.635 1.00 0.00 C ATOM 240 C6 DC A 8 -3.952 12.420 -1.837 1.00 0.00 C ATOM 0 H5' DC A 8 -6.096 12.712 -4.586 1.00 0.00 H new ATOM 0 H5'' DC A 8 -5.315 11.184 -4.228 1.00 0.00 H new ATOM 0 H4' DC A 8 -8.044 11.014 -3.376 1.00 0.00 H new ATOM 0 H3' DC A 8 -6.834 13.701 -2.874 1.00 0.00 H new ATOM 0 H2' DC A 8 -7.063 13.521 -0.473 1.00 0.00 H new ATOM 0 H2'' DC A 8 -8.231 12.221 -0.593 1.00 0.00 H new ATOM 0 HO3' DC A 8 -8.962 14.161 -2.427 1.00 0.00 H new ATOM 0 H1' DC A 8 -6.271 10.946 -0.124 1.00 0.00 H new ATOM 0 H41 DC A 8 -0.300 13.284 -0.791 1.00 0.00 H new ATOM 0 H42 DC A 8 -0.629 13.180 0.942 1.00 0.00 H new ATOM 0 H5 DC A 8 -1.987 12.938 -2.460 1.00 0.00 H new ATOM 0 H6 DC A 8 -4.308 12.305 -2.850 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 9 -0.428 13.565 10.481 1.00 0.00 O ATOM 255 C5' DG B 9 -0.118 12.203 10.669 1.00 0.00 C ATOM 256 C4' DG B 9 -1.300 11.362 10.176 1.00 0.00 C ATOM 257 O4' DG B 9 -1.501 11.617 8.799 1.00 0.00 O ATOM 258 C3' DG B 9 -1.015 9.857 10.270 1.00 0.00 C ATOM 259 O3' DG B 9 -2.181 9.065 10.146 1.00 0.00 O ATOM 260 C2' DG B 9 -0.231 9.628 8.982 1.00 0.00 C ATOM 261 C1' DG B 9 -1.087 10.486 8.048 1.00 0.00 C ATOM 262 N9 DG B 9 -0.454 10.968 6.804 1.00 0.00 N ATOM 263 C8 DG B 9 0.859 11.249 6.521 1.00 0.00 C ATOM 264 N7 DG B 9 1.048 11.764 5.337 1.00 0.00 N ATOM 265 C5 DG B 9 -0.234 11.843 4.796 1.00 0.00 C ATOM 266 C6 DG B 9 -0.689 12.320 3.530 1.00 0.00 C ATOM 267 O6 DG B 9 -0.031 12.832 2.628 1.00 0.00 O ATOM 268 N1 DG B 9 -2.056 12.159 3.351 1.00 0.00 N ATOM 269 C2 DG B 9 -2.903 11.662 4.311 1.00 0.00 C ATOM 270 N2 DG B 9 -4.191 11.534 4.017 1.00 0.00 N ATOM 271 N3 DG B 9 -2.498 11.259 5.517 1.00 0.00 N ATOM 272 C4 DG B 9 -1.155 11.364 5.692 1.00 0.00 C ATOM 0 H5' DG B 9 0.077 12.001 11.722 1.00 0.00 H new ATOM 0 H5'' DG B 9 0.787 11.942 10.121 1.00 0.00 H new ATOM 0 H4' DG B 9 -2.156 11.626 10.796 1.00 0.00 H new ATOM 0 H3' DG B 9 -0.542 9.599 11.218 1.00 0.00 H new ATOM 0 H2' DG B 9 0.801 9.972 9.047 1.00 0.00 H new ATOM 0 H2'' DG B 9 -0.200 8.580 8.685 1.00 0.00 H new ATOM 0 HO5' DG B 9 -1.082 13.655 9.757 1.00 0.00 H new ATOM 0 H1' DG B 9 -1.892 9.836 7.705 1.00 0.00 H new ATOM 0 H8 DG B 9 1.664 11.061 7.216 1.00 0.00 H new ATOM 0 H1 DG B 9 -2.456 12.426 2.451 1.00 0.00 H new ATOM 0 H21 DG B 9 -4.839 11.167 4.714 1.00 0.00 H new ATOM 0 H22 DG B 9 -4.533 11.803 3.094 1.00 0.00 H new ATOM 285 P DC B 10 -3.494 9.264 11.059 1.00 0.00 P ATOM 286 OP1 DC B 10 -4.510 9.984 10.262 1.00 0.00 O ATOM 287 OP2 DC B 10 -3.053 9.825 12.354 1.00 0.00 O ATOM 288 O5' DC B 10 -4.008 7.763 11.318 1.00 0.00 O ATOM 289 C5' DC B 10 -3.783 6.709 10.401 1.00 0.00 C ATOM 290 C4' DC B 10 -4.559 6.838 9.076 1.00 0.00 C ATOM 291 O4' DC B 10 -3.991 7.804 8.177 1.00 0.00 O ATOM 292 C3' DC B 10 -4.494 5.478 8.362 1.00 0.00 C ATOM 293 O3' DC B 10 -5.734 5.248 7.744 1.00 0.00 O ATOM 294 C2' DC B 10 -3.364 5.793 7.393 1.00 0.00 C ATOM 295 C1' DC B 10 -3.754 7.181 6.919 1.00 0.00 C ATOM 296 N1 DC B 10 -2.665 7.767 6.082 1.00 0.00 N ATOM 297 C2 DC B 10 -2.907 8.302 4.811 1.00 0.00 C ATOM 298 O2 DC B 10 -4.050 8.450 4.382 1.00 0.00 O ATOM 299 N3 DC B 10 -1.844 8.673 4.021 1.00 0.00 N ATOM 300 C4 DC B 10 -0.590 8.454 4.448 1.00 0.00 C ATOM 301 N4 DC B 10 0.434 8.915 3.738 1.00 0.00 N ATOM 302 C5 DC B 10 -0.324 7.839 5.707 1.00 0.00 C ATOM 303 C6 DC B 10 -1.386 7.528 6.462 1.00 0.00 C ATOM 0 H5' DC B 10 -4.055 5.767 10.876 1.00 0.00 H new ATOM 0 H5'' DC B 10 -2.717 6.658 10.180 1.00 0.00 H new ATOM 0 H4' DC B 10 -5.572 7.156 9.324 1.00 0.00 H new ATOM 0 H3' DC B 10 -4.317 4.580 8.955 1.00 0.00 H new ATOM 0 H2' DC B 10 -2.390 5.785 7.882 1.00 0.00 H new ATOM 0 H2'' DC B 10 -3.315 5.077 6.572 1.00 0.00 H new ATOM 0 H1' DC B 10 -4.613 7.270 6.253 1.00 0.00 H new ATOM 0 H41 DC B 10 1.389 8.753 4.056 1.00 0.00 H new ATOM 0 H42 DC B 10 0.265 9.431 2.875 1.00 0.00 H new ATOM 0 H5 DC B 10 0.684 7.634 6.036 1.00 0.00 H new ATOM 0 H6 DC B 10 -1.214 7.063 7.422 1.00 0.00 H new ATOM 315 P DG B 11 -6.307 3.771 7.506 1.00 0.00 P ATOM 316 OP1 DG B 11 -7.416 3.542 8.455 1.00 0.00 O ATOM 317 OP2 DG B 11 -5.170 2.828 7.443 1.00 0.00 O ATOM 318 O5' DG B 11 -6.903 3.952 6.035 1.00 0.00 O ATOM 319 C5' DG B 11 -7.876 4.933 5.752 1.00 0.00 C ATOM 320 C4' DG B 11 -8.164 4.943 4.248 1.00 0.00 C ATOM 321 O4' DG B 11 -7.118 5.644 3.601 1.00 0.00 O ATOM 322 C3' DG B 11 -8.216 3.527 3.661 1.00 0.00 C ATOM 323 O3' DG B 11 -9.244 3.460 2.690 1.00 0.00 O ATOM 324 C2' DG B 11 -6.811 3.353 3.092 1.00 0.00 C ATOM 325 C1' DG B 11 -6.390 4.781 2.750 1.00 0.00 C ATOM 326 N9 DG B 11 -4.947 5.008 2.960 1.00 0.00 N ATOM 327 C8 DG B 11 -4.215 4.788 4.097 1.00 0.00 C ATOM 328 N7 DG B 11 -2.978 5.183 4.022 1.00 0.00 N ATOM 329 C5 DG B 11 -2.866 5.662 2.722 1.00 0.00 C ATOM 330 C6 DG B 11 -1.725 6.139 2.017 1.00 0.00 C ATOM 331 O6 DG B 11 -0.589 6.320 2.447 1.00 0.00 O ATOM 332 N1 DG B 11 -1.990 6.413 0.689 1.00 0.00 N ATOM 333 C2 DG B 11 -3.223 6.275 0.100 1.00 0.00 C ATOM 334 N2 DG B 11 -3.320 6.520 -1.200 1.00 0.00 N ATOM 335 N3 DG B 11 -4.306 5.833 0.749 1.00 0.00 N ATOM 336 C4 DG B 11 -4.058 5.537 2.054 1.00 0.00 C ATOM 0 H5' DG B 11 -7.524 5.913 6.073 1.00 0.00 H new ATOM 0 H5'' DG B 11 -8.791 4.725 6.307 1.00 0.00 H new ATOM 0 H4' DG B 11 -9.134 5.415 4.093 1.00 0.00 H new ATOM 0 H3' DG B 11 -8.455 2.732 4.367 1.00 0.00 H new ATOM 0 H2' DG B 11 -6.137 2.898 3.818 1.00 0.00 H new ATOM 0 H2'' DG B 11 -6.811 2.712 2.211 1.00 0.00 H new ATOM 0 H1' DG B 11 -6.594 4.967 1.696 1.00 0.00 H new ATOM 0 H8 DG B 11 -4.630 4.326 4.981 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.218 6.740 0.107 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.220 6.428 -1.671 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.494 6.801 -1.729 1.00 0.00 H new ATOM 348 P DT B 12 -9.702 2.063 2.022 1.00 0.00 P ATOM 349 OP1 DT B 12 -11.047 2.255 1.440 1.00 0.00 O ATOM 350 OP2 DT B 12 -9.475 0.983 3.008 1.00 0.00 O ATOM 351 O5' DT B 12 -8.653 1.889 0.816 1.00 0.00 O ATOM 352 C5' DT B 12 -8.705 2.749 -0.301 1.00 0.00 C ATOM 353 C4' DT B 12 -7.513 2.526 -1.233 1.00 0.00 C ATOM 354 O4' DT B 12 -6.283 2.820 -0.611 1.00 0.00 O ATOM 355 C3' DT B 12 -7.361 1.077 -1.729 1.00 0.00 C ATOM 356 O3' DT B 12 -8.049 0.828 -2.954 1.00 0.00 O ATOM 357 C2' DT B 12 -5.843 0.836 -1.738 1.00 0.00 C ATOM 358 C1' DT B 12 -5.286 2.223 -1.419 1.00 0.00 C ATOM 359 N1 DT B 12 -4.005 2.233 -0.687 1.00 0.00 N ATOM 360 C2 DT B 12 -3.007 3.165 -0.921 1.00 0.00 C ATOM 361 O2 DT B 12 -2.937 3.817 -1.957 1.00 0.00 O ATOM 362 N3 DT B 12 -2.078 3.328 0.086 1.00 0.00 N ATOM 363 C4 DT B 12 -2.046 2.675 1.292 1.00 0.00 C ATOM 364 O4 DT B 12 -1.342 3.101 2.204 1.00 0.00 O ATOM 365 C5 DT B 12 -2.895 1.415 1.479 1.00 0.00 C ATOM 366 C7 DT B 12 -3.774 1.421 2.729 1.00 0.00 C ATOM 367 C6 DT B 12 -3.824 1.173 0.309 1.00 0.00 C ATOM 0 H5' DT B 12 -8.716 3.785 0.036 1.00 0.00 H new ATOM 0 H5'' DT B 12 -9.633 2.582 -0.848 1.00 0.00 H new ATOM 0 H4' DT B 12 -7.732 3.196 -2.064 1.00 0.00 H new ATOM 0 H3' DT B 12 -7.847 0.348 -1.081 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.545 0.098 -0.993 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.496 0.472 -2.705 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.068 2.743 -2.352 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.336 4.007 -0.084 1.00 0.00 H new ATOM 0 H71 DT B 12 -4.673 0.832 2.545 1.00 0.00 H new ATOM 0 H72 DT B 12 -3.222 0.989 3.564 1.00 0.00 H new ATOM 0 H73 DT B 12 -4.055 2.446 2.971 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.346 0.233 0.209 1.00 0.00 H new ATOM 380 P DA B 13 -7.670 1.454 -4.412 1.00 0.00 P ATOM 381 OP1 DA B 13 -7.227 2.856 -4.260 1.00 0.00 O ATOM 382 OP2 DA B 13 -8.795 1.148 -5.322 1.00 0.00 O ATOM 383 O5' DA B 13 -6.404 0.593 -4.877 1.00 0.00 O ATOM 384 C5' DA B 13 -6.536 -0.784 -5.125 1.00 0.00 C ATOM 385 C4' DA B 13 -5.172 -1.370 -5.474 1.00 0.00 C ATOM 386 O4' DA B 13 -4.296 -1.374 -4.361 1.00 0.00 O ATOM 387 C3' DA B 13 -5.361 -2.823 -5.906 1.00 0.00 C ATOM 388 O3' DA B 13 -4.516 -3.157 -6.980 1.00 0.00 O ATOM 389 C2' DA B 13 -4.897 -3.536 -4.652 1.00 0.00 C ATOM 390 C1' DA B 13 -3.718 -2.659 -4.226 1.00 0.00 C ATOM 391 N9 DA B 13 -3.319 -2.894 -2.820 1.00 0.00 N ATOM 392 C8 DA B 13 -4.148 -2.819 -1.738 1.00 0.00 C ATOM 393 N7 DA B 13 -3.614 -3.240 -0.623 1.00 0.00 N ATOM 394 C5 DA B 13 -2.276 -3.430 -0.966 1.00 0.00 C ATOM 395 C6 DA B 13 -1.124 -3.688 -0.196 1.00 0.00 C ATOM 396 N6 DA B 13 -1.156 -4.005 1.096 1.00 0.00 N ATOM 397 N1 DA B 13 0.079 -3.484 -0.743 1.00 0.00 N ATOM 398 C2 DA B 13 0.149 -3.189 -2.032 1.00 0.00 C ATOM 399 N3 DA B 13 -0.848 -3.015 -2.901 1.00 0.00 N ATOM 400 C4 DA B 13 -2.062 -3.124 -2.288 1.00 0.00 C ATOM 0 H5' DA B 13 -7.236 -0.952 -5.943 1.00 0.00 H new ATOM 0 H5'' DA B 13 -6.945 -1.285 -4.248 1.00 0.00 H new ATOM 0 H4' DA B 13 -4.741 -0.755 -6.264 1.00 0.00 H new ATOM 0 H3' DA B 13 -6.369 -3.061 -6.245 1.00 0.00 H new ATOM 0 H2' DA B 13 -5.676 -3.576 -3.890 1.00 0.00 H new ATOM 0 H2'' DA B 13 -4.594 -4.564 -4.852 1.00 0.00 H new ATOM 0 H1' DA B 13 -2.809 -2.835 -4.802 1.00 0.00 H new ATOM 0 H8 DA B 13 -5.159 -2.444 -1.799 1.00 0.00 H new ATOM 0 H61 DA B 13 -0.287 -4.181 1.600 1.00 0.00 H new ATOM 0 H62 DA B 13 -2.050 -4.072 1.583 1.00 0.00 H new ATOM 0 H2 DA B 13 1.145 -3.074 -2.433 1.00 0.00 H new ATOM 412 P DC B 14 -4.911 -2.803 -8.496 1.00 0.00 P ATOM 413 OP1 DC B 14 -5.140 -1.345 -8.586 1.00 0.00 O ATOM 414 OP2 DC B 14 -5.982 -3.735 -8.908 1.00 0.00 O ATOM 415 O5' DC B 14 -3.568 -3.171 -9.297 1.00 0.00 O ATOM 416 C5' DC B 14 -3.089 -4.498 -9.347 1.00 0.00 C ATOM 417 C4' DC B 14 -1.806 -4.649 -8.519 1.00 0.00 C ATOM 418 O4' DC B 14 -2.023 -4.574 -7.106 1.00 0.00 O ATOM 419 C3' DC B 14 -1.198 -6.031 -8.800 1.00 0.00 C ATOM 420 O3' DC B 14 0.179 -5.853 -9.098 1.00 0.00 O ATOM 421 C2' DC B 14 -1.427 -6.703 -7.452 1.00 0.00 C ATOM 422 C1' DC B 14 -1.172 -5.543 -6.509 1.00 0.00 C ATOM 423 N1 DC B 14 -1.487 -5.909 -5.098 1.00 0.00 N ATOM 424 C2 DC B 14 -0.437 -6.071 -4.197 1.00 0.00 C ATOM 425 O2 DC B 14 0.738 -5.952 -4.541 1.00 0.00 O ATOM 426 N3 DC B 14 -0.715 -6.372 -2.901 1.00 0.00 N ATOM 427 C4 DC B 14 -1.965 -6.631 -2.516 1.00 0.00 C ATOM 428 N4 DC B 14 -2.192 -6.907 -1.240 1.00 0.00 N ATOM 429 C5 DC B 14 -3.055 -6.575 -3.436 1.00 0.00 C ATOM 430 C6 DC B 14 -2.761 -6.221 -4.707 1.00 0.00 C ATOM 0 H5' DC B 14 -2.894 -4.780 -10.382 1.00 0.00 H new ATOM 0 H5'' DC B 14 -3.852 -5.179 -8.970 1.00 0.00 H new ATOM 0 H4' DC B 14 -1.155 -3.825 -8.810 1.00 0.00 H new ATOM 0 H3' DC B 14 -1.610 -6.599 -9.634 1.00 0.00 H new ATOM 0 H2' DC B 14 -2.437 -7.100 -7.355 1.00 0.00 H new ATOM 0 H2'' DC B 14 -0.741 -7.532 -7.282 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.143 -5.198 -6.408 1.00 0.00 H new ATOM 0 H41 DC B 14 -3.140 -7.108 -0.923 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.418 -6.918 -0.575 1.00 0.00 H new ATOM 0 H5 DC B 14 -4.065 -6.804 -3.131 1.00 0.00 H new ATOM 0 H6 DC B 14 -3.556 -6.183 -5.437 1.00 0.00 H new ATOM 442 P DG B 15 0.996 -6.775 -10.148 1.00 0.00 P ATOM 443 OP1 DG B 15 2.168 -5.994 -10.596 1.00 0.00 O ATOM 444 OP2 DG B 15 0.043 -7.295 -11.151 1.00 0.00 O ATOM 445 O5' DG B 15 1.537 -8.018 -9.275 1.00 0.00 O ATOM 446 C5' DG B 15 2.187 -7.807 -8.038 1.00 0.00 C ATOM 447 C4' DG B 15 3.148 -8.951 -7.676 1.00 0.00 C ATOM 448 O4' DG B 15 3.223 -8.971 -6.263 1.00 0.00 O ATOM 449 C3' DG B 15 2.741 -10.370 -8.109 1.00 0.00 C ATOM 450 O3' DG B 15 3.856 -11.237 -7.997 1.00 0.00 O ATOM 451 C2' DG B 15 1.680 -10.551 -7.049 1.00 0.00 C ATOM 452 C1' DG B 15 2.426 -10.045 -5.811 1.00 0.00 C ATOM 453 N9 DG B 15 1.510 -9.665 -4.724 1.00 0.00 N ATOM 454 C8 DG B 15 0.161 -9.511 -4.797 1.00 0.00 C ATOM 455 N7 DG B 15 -0.435 -9.335 -3.655 1.00 0.00 N ATOM 456 C5 DG B 15 0.617 -9.352 -2.741 1.00 0.00 C ATOM 457 C6 DG B 15 0.616 -9.258 -1.317 1.00 0.00 C ATOM 458 O6 DG B 15 -0.347 -9.129 -0.564 1.00 0.00 O ATOM 459 N1 DG B 15 1.892 -9.328 -0.780 1.00 0.00 N ATOM 460 C2 DG B 15 3.032 -9.555 -1.514 1.00 0.00 C ATOM 461 N2 DG B 15 4.190 -9.704 -0.886 1.00 0.00 N ATOM 462 N3 DG B 15 3.037 -9.710 -2.838 1.00 0.00 N ATOM 463 C4 DG B 15 1.809 -9.564 -3.391 1.00 0.00 C ATOM 0 H5' DG B 15 1.440 -7.702 -7.252 1.00 0.00 H new ATOM 0 H5'' DG B 15 2.742 -6.870 -8.078 1.00 0.00 H new ATOM 0 H4' DG B 15 4.074 -8.738 -8.209 1.00 0.00 H new ATOM 0 H3' DG B 15 2.405 -10.553 -9.130 1.00 0.00 H new ATOM 0 H2' DG B 15 0.783 -9.969 -7.258 1.00 0.00 H new ATOM 0 H2'' DG B 15 1.369 -11.591 -6.948 1.00 0.00 H new ATOM 0 H1' DG B 15 3.044 -10.826 -5.369 1.00 0.00 H new ATOM 0 H8 DG B 15 -0.376 -9.533 -5.734 1.00 0.00 H new ATOM 0 H1 DG B 15 1.992 -9.203 0.227 1.00 0.00 H new ATOM 0 H21 DG B 15 5.042 -9.873 -1.421 1.00 0.00 H new ATOM 0 H22 DG B 15 4.229 -9.650 0.132 1.00 0.00 H new ATOM 475 P DC B 16 3.749 -12.837 -8.194 1.00 0.00 P ATOM 476 OP1 DC B 16 4.848 -13.262 -9.086 1.00 0.00 O ATOM 477 OP2 DC B 16 2.350 -13.173 -8.540 1.00 0.00 O ATOM 478 O5' DC B 16 4.060 -13.379 -6.708 1.00 0.00 O ATOM 479 C5' DC B 16 5.355 -13.229 -6.159 1.00 0.00 C ATOM 480 C4' DC B 16 5.392 -13.566 -4.670 1.00 0.00 C ATOM 481 O4' DC B 16 4.582 -12.651 -3.970 1.00 0.00 O ATOM 482 C3' DC B 16 4.849 -14.943 -4.299 1.00 0.00 C ATOM 483 O3' DC B 16 5.807 -15.961 -4.489 1.00 0.00 O ATOM 484 C2' DC B 16 4.526 -14.728 -2.825 1.00 0.00 C ATOM 485 C1' DC B 16 4.235 -13.223 -2.721 1.00 0.00 C ATOM 486 N1 DC B 16 2.800 -12.963 -2.438 1.00 0.00 N ATOM 487 C2 DC B 16 2.409 -12.791 -1.113 1.00 0.00 C ATOM 488 O2 DC B 16 3.220 -12.868 -0.193 1.00 0.00 O ATOM 489 N3 DC B 16 1.104 -12.533 -0.830 1.00 0.00 N ATOM 490 C4 DC B 16 0.201 -12.477 -1.814 1.00 0.00 C ATOM 491 N4 DC B 16 -1.044 -12.151 -1.495 1.00 0.00 N ATOM 492 C5 DC B 16 0.570 -12.648 -3.188 1.00 0.00 C ATOM 493 C6 DC B 16 1.877 -12.880 -3.451 1.00 0.00 C ATOM 0 H5' DC B 16 5.694 -12.204 -6.306 1.00 0.00 H new ATOM 0 H5'' DC B 16 6.052 -13.875 -6.694 1.00 0.00 H new ATOM 0 H4' DC B 16 6.450 -13.531 -4.410 1.00 0.00 H new ATOM 0 H3' DC B 16 4.004 -15.273 -4.904 1.00 0.00 H new ATOM 0 H2' DC B 16 3.667 -15.323 -2.514 1.00 0.00 H new ATOM 0 H2'' DC B 16 5.361 -15.018 -2.187 1.00 0.00 H new ATOM 0 HO3' DC B 16 5.420 -16.826 -4.238 1.00 0.00 H new ATOM 0 H1' DC B 16 4.809 -12.790 -1.902 1.00 0.00 H new ATOM 0 H41 DC B 16 -1.759 -12.099 -2.220 1.00 0.00 H new ATOM 0 H42 DC B 16 -1.286 -11.953 -0.524 1.00 0.00 H new ATOM 0 H5 DC B 16 -0.163 -12.594 -3.979 1.00 0.00 H new ATOM 0 H6 DC B 16 2.199 -13.002 -4.475 1.00 0.00 H new TER 506 DC B 16 HETATM 507 O1 PSO B 1 -1.013 0.185 -1.534 1.00 0.00 O HETATM 508 C2 PSO B 1 -2.267 0.103 -1.468 1.00 0.00 C HETATM 509 C3 PSO B 1 -3.043 -0.033 -0.168 1.00 0.00 C HETATM 510 C4 PSO B 1 -2.224 0.088 1.073 1.00 0.00 C HETATM 511 C5 PSO B 1 -0.027 0.425 1.941 1.00 0.00 C HETATM 512 C6 PSO B 1 1.348 0.644 1.754 1.00 0.00 C HETATM 513 C7 PSO B 1 1.868 0.643 0.509 1.00 0.00 C HETATM 514 C8 PSO B 1 1.059 0.326 -0.590 1.00 0.00 C HETATM 515 C9 PSO B 1 -0.341 0.264 -0.453 1.00 0.00 C HETATM 516 C10 PSO B 1 -0.864 0.251 0.831 1.00 0.00 C HETATM 517 C4' PSO B 1 2.447 0.366 2.729 1.00 0.00 C HETATM 518 C5' PSO B 1 3.618 0.642 1.805 1.00 0.00 C HETATM 519 O6' PSO B 1 3.117 0.743 0.465 1.00 0.00 O HETATM 520 O11 PSO B 1 -2.894 0.135 -2.520 1.00 0.00 O HETATM 521 C12 PSO B 1 -2.520 -1.018 2.096 1.00 0.00 C HETATM 522 C13 PSO B 1 2.379 1.157 4.043 1.00 0.00 C HETATM 523 O14 PSO B 1 1.990 2.506 3.916 1.00 0.00 O HETATM 524 C15 PSO B 1 4.357 1.861 2.356 1.00 0.00 C HETATM 525 C16 PSO B 1 1.690 0.038 -1.930 1.00 0.00 C HETATM 0 H163 PSO B 1 2.255 0.909 -2.261 1.00 0.00 H new HETATM 0 H162 PSO B 1 2.360 -0.817 -1.840 1.00 0.00 H new HETATM 0 H161 PSO B 1 0.911 -0.187 -2.658 1.00 0.00 H new HETATM 0 H153 PSO B 1 3.681 2.716 2.381 1.00 0.00 H new HETATM 0 H152 PSO B 1 4.709 1.647 3.365 1.00 0.00 H new HETATM 0 H151 PSO B 1 5.209 2.090 1.715 1.00 0.00 H new HETATM 0 H132 PSO B 1 1.680 0.656 4.713 1.00 0.00 H new HETATM 0 H131 PSO B 1 3.359 1.122 4.520 1.00 0.00 H new HETATM 0 H123 PSO B 1 -3.570 -0.974 2.386 1.00 0.00 H new HETATM 0 H122 PSO B 1 -2.307 -1.991 1.652 1.00 0.00 H new HETATM 0 H121 PSO B 1 -1.894 -0.876 2.977 1.00 0.00 H new HETATM 0 H5 PSO B 1 -0.442 0.390 2.948 1.00 0.00 H new HETATM 0 H14 PSO B 1 1.974 2.926 4.801 1.00 0.00 H new