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 30:sc= 0.0711 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.4 (180deg=-1.4) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 PSO O14 : rot 180:sc= -0.653 USER MOD Single : B 9 DG O5' : rot 180:sc= -0.0462 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 -2.145 -10.366 8.873 1.00 0.00 O ATOM 2 C5' DG A 1 -1.079 -10.803 9.685 1.00 0.00 C ATOM 3 C4' DG A 1 0.257 -10.557 8.977 1.00 0.00 C ATOM 4 O4' DG A 1 0.205 -11.123 7.673 1.00 0.00 O ATOM 5 C3' DG A 1 0.579 -9.064 8.829 1.00 0.00 C ATOM 6 O3' DG A 1 1.952 -8.892 9.130 1.00 0.00 O ATOM 7 C2' DG A 1 0.238 -8.811 7.364 1.00 0.00 C ATOM 8 C1' DG A 1 0.579 -10.149 6.712 1.00 0.00 C ATOM 9 N9 DG A 1 -0.164 -10.392 5.452 1.00 0.00 N ATOM 10 C8 DG A 1 -1.517 -10.311 5.237 1.00 0.00 C ATOM 11 N7 DG A 1 -1.896 -10.661 4.042 1.00 0.00 N ATOM 12 C5 DG A 1 -0.709 -11.016 3.409 1.00 0.00 C ATOM 13 C6 DG A 1 -0.476 -11.473 2.076 1.00 0.00 C ATOM 14 O6 DG A 1 -1.300 -11.679 1.188 1.00 0.00 O ATOM 15 N1 DG A 1 0.865 -11.694 1.810 1.00 0.00 N ATOM 16 C2 DG A 1 1.873 -11.501 2.724 1.00 0.00 C ATOM 17 N2 DG A 1 3.123 -11.744 2.345 1.00 0.00 N ATOM 18 N3 DG A 1 1.671 -11.070 3.975 1.00 0.00 N ATOM 19 C4 DG A 1 0.359 -10.848 4.259 1.00 0.00 C ATOM 0 H5' DG A 1 -1.192 -11.864 9.907 1.00 0.00 H new ATOM 0 H5'' DG A 1 -1.097 -10.274 10.638 1.00 0.00 H new ATOM 0 H4' DG A 1 1.033 -11.017 9.589 1.00 0.00 H new ATOM 0 H3' DG A 1 0.041 -8.377 9.482 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.812 -8.550 7.231 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.825 -7.994 6.945 1.00 0.00 H new ATOM 0 HO5' DG A 1 -1.896 -10.457 7.930 1.00 0.00 H new ATOM 0 H1' DG A 1 1.634 -10.176 6.440 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.211 -9.984 5.997 1.00 0.00 H new ATOM 0 H1 DG A 1 1.120 -12.020 0.878 1.00 0.00 H new ATOM 0 H21 DG A 1 3.891 -11.609 3.003 1.00 0.00 H new ATOM 0 H22 DG A 1 3.315 -12.065 1.396 1.00 0.00 H new ATOM 32 P DC A 2 2.704 -7.465 9.068 1.00 0.00 P ATOM 33 OP1 DC A 2 3.588 -7.361 10.249 1.00 0.00 O ATOM 34 OP2 DC A 2 1.704 -6.410 8.800 1.00 0.00 O ATOM 35 O5' DC A 2 3.625 -7.654 7.761 1.00 0.00 O ATOM 36 C5' DC A 2 4.621 -8.656 7.740 1.00 0.00 C ATOM 37 C4' DC A 2 5.318 -8.721 6.381 1.00 0.00 C ATOM 38 O4' DC A 2 4.393 -9.024 5.361 1.00 0.00 O ATOM 39 C3' DC A 2 6.008 -7.411 5.987 1.00 0.00 C ATOM 40 O3' DC A 2 7.306 -7.813 5.586 1.00 0.00 O ATOM 41 C2' DC A 2 5.125 -6.844 4.867 1.00 0.00 C ATOM 42 C1' DC A 2 4.568 -8.128 4.278 1.00 0.00 C ATOM 43 N1 DC A 2 3.237 -7.946 3.656 1.00 0.00 N ATOM 44 C2 DC A 2 3.047 -8.380 2.354 1.00 0.00 C ATOM 45 O2 DC A 2 4.001 -8.697 1.650 1.00 0.00 O ATOM 46 N3 DC A 2 1.788 -8.457 1.849 1.00 0.00 N ATOM 47 C4 DC A 2 0.747 -8.060 2.588 1.00 0.00 C ATOM 48 N4 DC A 2 -0.468 -8.267 2.099 1.00 0.00 N ATOM 49 C5 DC A 2 0.904 -7.605 3.935 1.00 0.00 C ATOM 50 C6 DC A 2 2.166 -7.573 4.423 1.00 0.00 C ATOM 0 H5' DC A 2 4.172 -9.623 7.967 1.00 0.00 H new ATOM 0 H5'' DC A 2 5.357 -8.456 8.519 1.00 0.00 H new ATOM 0 H4' DC A 2 6.073 -9.500 6.486 1.00 0.00 H new ATOM 0 H3' DC A 2 6.118 -6.637 6.747 1.00 0.00 H new ATOM 0 H2' DC A 2 4.342 -6.189 5.248 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.697 -6.268 4.140 1.00 0.00 H new ATOM 0 H1' DC A 2 5.256 -8.480 3.510 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.288 -7.979 2.632 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.582 -8.715 1.190 1.00 0.00 H new ATOM 0 H5 DC A 2 0.057 -7.302 4.533 1.00 0.00 H new ATOM 0 H6 DC A 2 2.332 -7.246 5.439 1.00 0.00 H new ATOM 62 P DG A 3 8.529 -6.792 5.448 1.00 0.00 P ATOM 63 OP1 DG A 3 9.762 -7.572 5.213 1.00 0.00 O ATOM 64 OP2 DG A 3 8.459 -5.830 6.569 1.00 0.00 O ATOM 65 O5' DG A 3 8.119 -6.050 4.096 1.00 0.00 O ATOM 66 C5' DG A 3 8.241 -6.669 2.834 1.00 0.00 C ATOM 67 C4' DG A 3 7.695 -5.709 1.773 1.00 0.00 C ATOM 68 O4' DG A 3 6.374 -5.948 1.371 1.00 0.00 O ATOM 69 C3' DG A 3 7.784 -4.239 2.170 1.00 0.00 C ATOM 70 O3' DG A 3 8.611 -3.652 1.206 1.00 0.00 O ATOM 71 C2' DG A 3 6.313 -3.895 2.250 1.00 0.00 C ATOM 72 C1' DG A 3 5.789 -4.693 1.076 1.00 0.00 C ATOM 73 N9 DG A 3 4.359 -4.934 1.050 1.00 0.00 N ATOM 74 C8 DG A 3 3.535 -4.764 2.094 1.00 0.00 C ATOM 75 N7 DG A 3 2.323 -5.198 1.923 1.00 0.00 N ATOM 76 C5 DG A 3 2.349 -5.637 0.599 1.00 0.00 C ATOM 77 C6 DG A 3 1.301 -6.116 -0.233 1.00 0.00 C ATOM 78 O6 DG A 3 0.157 -6.413 0.087 1.00 0.00 O ATOM 79 N1 DG A 3 1.684 -6.237 -1.555 1.00 0.00 N ATOM 80 C2 DG A 3 2.965 -6.076 -2.014 1.00 0.00 C ATOM 81 N2 DG A 3 3.186 -6.254 -3.311 1.00 0.00 N ATOM 82 N3 DG A 3 3.986 -5.716 -1.230 1.00 0.00 N ATOM 83 C4 DG A 3 3.597 -5.474 0.049 1.00 0.00 C ATOM 0 H5' DG A 3 7.688 -7.608 2.817 1.00 0.00 H new ATOM 0 H5'' DG A 3 9.284 -6.909 2.628 1.00 0.00 H new ATOM 0 H4' DG A 3 8.359 -5.918 0.935 1.00 0.00 H new ATOM 0 H3' DG A 3 8.242 -3.909 3.103 1.00 0.00 H new ATOM 0 H2' DG A 3 5.865 -4.202 3.195 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.129 -2.826 2.142 1.00 0.00 H new ATOM 0 H1' DG A 3 6.009 -4.183 0.138 1.00 0.00 H new ATOM 0 H8 DG A 3 3.857 -4.298 3.014 1.00 0.00 H new ATOM 0 H1 DG A 3 0.961 -6.462 -2.238 1.00 0.00 H new ATOM 0 H21 DG A 3 4.127 -6.142 -3.688 1.00 0.00 H new ATOM 0 H22 DG A 3 2.415 -6.502 -3.930 1.00 0.00 H new ATOM 95 P DT A 4 10.082 -3.148 1.615 1.00 0.00 P ATOM 96 OP1 DT A 4 10.843 -2.888 0.376 1.00 0.00 O ATOM 97 OP2 DT A 4 10.616 -4.079 2.634 1.00 0.00 O ATOM 98 O5' DT A 4 9.708 -1.734 2.312 1.00 0.00 O ATOM 99 C5' DT A 4 8.478 -1.051 2.074 1.00 0.00 C ATOM 100 C4' DT A 4 8.018 -1.079 0.596 1.00 0.00 C ATOM 101 O4' DT A 4 6.875 -1.900 0.270 1.00 0.00 O ATOM 102 C3' DT A 4 7.624 0.295 0.082 1.00 0.00 C ATOM 103 O3' DT A 4 7.912 0.202 -1.298 1.00 0.00 O ATOM 104 C2' DT A 4 6.204 0.122 0.473 1.00 0.00 C ATOM 105 C1' DT A 4 5.693 -1.150 -0.020 1.00 0.00 C ATOM 106 N1 DT A 4 4.454 -1.534 0.758 1.00 0.00 N ATOM 107 C2 DT A 4 3.428 -2.181 0.078 1.00 0.00 C ATOM 108 O2 DT A 4 3.553 -2.532 -1.089 1.00 0.00 O ATOM 109 N3 DT A 4 2.248 -2.428 0.747 1.00 0.00 N ATOM 110 C4 DT A 4 1.925 -2.086 2.039 1.00 0.00 C ATOM 111 O4 DT A 4 0.899 -2.530 2.551 1.00 0.00 O ATOM 112 C5 DT A 4 2.857 -1.149 2.817 1.00 0.00 C ATOM 113 C7 DT A 4 3.126 -1.611 4.255 1.00 0.00 C ATOM 114 C6 DT A 4 4.153 -0.815 2.058 1.00 0.00 C ATOM 0 H5' DT A 4 8.583 -0.014 2.392 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.701 -1.497 2.694 1.00 0.00 H new ATOM 0 H4' DT A 4 8.911 -1.499 0.133 1.00 0.00 H new ATOM 0 H3' DT A 4 8.054 1.242 0.408 1.00 0.00 H new ATOM 0 H2' DT A 4 6.112 0.162 1.558 1.00 0.00 H new ATOM 0 H2'' DT A 4 5.607 0.941 0.072 1.00 0.00 H new ATOM 0 H1' DT A 4 5.344 -1.242 -1.048 1.00 0.00 H new ATOM 0 H3 DT A 4 1.529 -2.924 0.221 1.00 0.00 H new ATOM 0 H71 DT A 4 4.118 -1.281 4.564 1.00 0.00 H new ATOM 0 H72 DT A 4 2.377 -1.182 4.921 1.00 0.00 H new ATOM 0 H73 DT A 4 3.074 -2.699 4.303 1.00 0.00 H new ATOM 0 H6 DT A 4 4.840 -0.078 2.447 1.00 0.00 H new ATOM 127 P DA A 5 9.431 0.140 -1.853 1.00 0.00 P ATOM 128 OP1 DA A 5 9.588 -1.092 -2.653 1.00 0.00 O ATOM 129 OP2 DA A 5 10.334 0.413 -0.711 1.00 0.00 O ATOM 130 O5' DA A 5 9.443 1.395 -2.803 1.00 0.00 O ATOM 131 C5' DA A 5 8.623 2.482 -2.490 1.00 0.00 C ATOM 132 C4' DA A 5 7.241 2.302 -3.136 1.00 0.00 C ATOM 133 O4' DA A 5 6.221 1.864 -2.241 1.00 0.00 O ATOM 134 C3' DA A 5 6.871 3.677 -3.643 1.00 0.00 C ATOM 135 O3' DA A 5 6.941 3.896 -5.051 1.00 0.00 O ATOM 136 C2' DA A 5 5.506 3.803 -3.070 1.00 0.00 C ATOM 137 C1' DA A 5 5.002 2.532 -2.494 1.00 0.00 C ATOM 138 N9 DA A 5 4.323 2.870 -1.210 1.00 0.00 N ATOM 139 C8 DA A 5 4.969 3.493 -0.176 1.00 0.00 C ATOM 140 N7 DA A 5 4.218 4.105 0.685 1.00 0.00 N ATOM 141 C5 DA A 5 2.949 3.776 0.234 1.00 0.00 C ATOM 142 C6 DA A 5 1.665 4.020 0.742 1.00 0.00 C ATOM 143 N6 DA A 5 1.448 4.493 1.963 1.00 0.00 N ATOM 144 N1 DA A 5 0.617 3.785 -0.049 1.00 0.00 N ATOM 145 C2 DA A 5 0.841 3.271 -1.248 1.00 0.00 C ATOM 146 N3 DA A 5 1.978 2.930 -1.826 1.00 0.00 N ATOM 147 C4 DA A 5 3.010 3.189 -1.003 1.00 0.00 C ATOM 0 H5' DA A 5 9.081 3.406 -2.843 1.00 0.00 H new ATOM 0 H5'' DA A 5 8.519 2.570 -1.409 1.00 0.00 H new ATOM 0 H4' DA A 5 7.306 1.529 -3.902 1.00 0.00 H new ATOM 0 H3' DA A 5 7.584 4.443 -3.340 1.00 0.00 H new ATOM 0 H2' DA A 5 5.512 4.570 -2.295 1.00 0.00 H new ATOM 0 H2'' DA A 5 4.821 4.141 -3.848 1.00 0.00 H new ATOM 0 H1' DA A 5 4.303 1.961 -3.104 1.00 0.00 H new ATOM 0 H8 DA A 5 6.045 3.475 -0.083 1.00 0.00 H new ATOM 0 H61 DA A 5 0.494 4.653 2.286 1.00 0.00 H new ATOM 0 H62 DA A 5 2.236 4.696 2.579 1.00 0.00 H new ATOM 0 H2 DA A 5 -0.043 3.105 -1.846 1.00 0.00 H new ATOM 159 P DC A 6 6.047 3.112 -6.171 1.00 0.00 P ATOM 160 OP1 DC A 6 6.206 1.656 -5.974 1.00 0.00 O ATOM 161 OP2 DC A 6 6.390 3.698 -7.485 1.00 0.00 O ATOM 162 O5' DC A 6 4.509 3.484 -5.851 1.00 0.00 O ATOM 163 C5' DC A 6 3.989 4.760 -6.162 1.00 0.00 C ATOM 164 C4' DC A 6 2.519 4.877 -5.735 1.00 0.00 C ATOM 165 O4' DC A 6 2.363 4.767 -4.316 1.00 0.00 O ATOM 166 C3' DC A 6 1.999 6.269 -6.126 1.00 0.00 C ATOM 167 O3' DC A 6 0.699 6.168 -6.685 1.00 0.00 O ATOM 168 C2' DC A 6 1.996 6.927 -4.757 1.00 0.00 C ATOM 169 C1' DC A 6 1.475 5.797 -3.903 1.00 0.00 C ATOM 170 N1 DC A 6 1.566 6.206 -2.479 1.00 0.00 N ATOM 171 C2 DC A 6 0.409 6.548 -1.780 1.00 0.00 C ATOM 172 O2 DC A 6 -0.701 6.494 -2.306 1.00 0.00 O ATOM 173 N3 DC A 6 0.511 6.952 -0.483 1.00 0.00 N ATOM 174 C4 DC A 6 1.710 7.065 0.098 1.00 0.00 C ATOM 175 N4 DC A 6 1.767 7.399 1.379 1.00 0.00 N ATOM 176 C5 DC A 6 2.908 6.718 -0.601 1.00 0.00 C ATOM 177 C6 DC A 6 2.784 6.316 -1.873 1.00 0.00 C ATOM 0 H5' DC A 6 4.075 4.940 -7.234 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.579 5.528 -5.662 1.00 0.00 H new ATOM 0 H4' DC A 6 1.973 4.071 -6.226 1.00 0.00 H new ATOM 0 H3' DC A 6 2.573 6.807 -6.880 1.00 0.00 H new ATOM 0 H2' DC A 6 2.991 7.251 -4.452 1.00 0.00 H new ATOM 0 H2'' DC A 6 1.350 7.804 -4.721 1.00 0.00 H new ATOM 0 H1' DC A 6 0.433 5.494 -4.007 1.00 0.00 H new ATOM 0 H41 DC A 6 2.671 7.491 1.842 1.00 0.00 H new ATOM 0 H42 DC A 6 0.907 7.564 1.902 1.00 0.00 H new ATOM 0 H5 DC A 6 3.874 6.778 -0.123 1.00 0.00 H new ATOM 0 H6 DC A 6 3.673 6.072 -2.435 1.00 0.00 H new ATOM 189 P DG A 7 -0.119 7.465 -7.198 1.00 0.00 P ATOM 190 OP1 DG A 7 -0.786 7.102 -8.467 1.00 0.00 O ATOM 191 OP2 DG A 7 0.799 8.624 -7.169 1.00 0.00 O ATOM 192 O5' DG A 7 -1.258 7.704 -6.073 1.00 0.00 O ATOM 193 C5' DG A 7 -2.426 6.906 -6.031 1.00 0.00 C ATOM 194 C4' DG A 7 -3.573 7.483 -5.182 1.00 0.00 C ATOM 195 O4' DG A 7 -3.149 7.746 -3.856 1.00 0.00 O ATOM 196 C3' DG A 7 -4.158 8.807 -5.689 1.00 0.00 C ATOM 197 O3' DG A 7 -5.484 8.842 -5.161 1.00 0.00 O ATOM 198 C2' DG A 7 -3.203 9.776 -4.994 1.00 0.00 C ATOM 199 C1' DG A 7 -3.233 9.141 -3.603 1.00 0.00 C ATOM 200 N9 DG A 7 -2.128 9.509 -2.703 1.00 0.00 N ATOM 201 C8 DG A 7 -0.797 9.581 -3.003 1.00 0.00 C ATOM 202 N7 DG A 7 -0.028 9.775 -1.967 1.00 0.00 N ATOM 203 C5 DG A 7 -0.915 9.767 -0.887 1.00 0.00 C ATOM 204 C6 DG A 7 -0.680 9.827 0.522 1.00 0.00 C ATOM 205 O6 DG A 7 0.370 10.063 1.111 1.00 0.00 O ATOM 206 N1 DG A 7 -1.820 9.577 1.275 1.00 0.00 N ATOM 207 C2 DG A 7 -3.073 9.440 0.744 1.00 0.00 C ATOM 208 N2 DG A 7 -4.083 9.223 1.580 1.00 0.00 N ATOM 209 N3 DG A 7 -3.325 9.468 -0.569 1.00 0.00 N ATOM 210 C4 DG A 7 -2.201 9.584 -1.330 1.00 0.00 C ATOM 0 H5' DG A 7 -2.163 5.923 -5.641 1.00 0.00 H new ATOM 0 H5'' DG A 7 -2.785 6.759 -7.050 1.00 0.00 H new ATOM 0 H4' DG A 7 -4.336 6.707 -5.244 1.00 0.00 H new ATOM 0 H3' DG A 7 -4.230 8.997 -6.760 1.00 0.00 H new ATOM 0 H2' DG A 7 -2.207 9.783 -5.437 1.00 0.00 H new ATOM 0 H2'' DG A 7 -3.562 10.805 -5.000 1.00 0.00 H new ATOM 0 H1' DG A 7 -4.130 9.484 -3.088 1.00 0.00 H new ATOM 0 H8 DG A 7 -0.415 9.486 -4.009 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.716 9.490 2.286 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.031 9.116 1.218 1.00 0.00 H new ATOM 0 H22 DG A 7 -3.911 9.163 2.584 1.00 0.00 H new ATOM 222 P DC A 8 -6.796 9.400 -5.936 1.00 0.00 P ATOM 223 OP1 DC A 8 -7.978 8.835 -5.252 1.00 0.00 O ATOM 224 OP2 DC A 8 -6.605 9.153 -7.381 1.00 0.00 O ATOM 225 O5' DC A 8 -6.816 10.998 -5.689 1.00 0.00 O ATOM 226 C5' DC A 8 -6.288 11.575 -4.512 1.00 0.00 C ATOM 227 C4' DC A 8 -7.122 11.477 -3.235 1.00 0.00 C ATOM 228 O4' DC A 8 -6.312 10.811 -2.280 1.00 0.00 O ATOM 229 C3' DC A 8 -7.465 12.853 -2.641 1.00 0.00 C ATOM 230 O3' DC A 8 -8.774 13.259 -2.978 1.00 0.00 O ATOM 231 C2' DC A 8 -7.320 12.609 -1.150 1.00 0.00 C ATOM 232 C1' DC A 8 -6.192 11.581 -1.097 1.00 0.00 C ATOM 233 N1 DC A 8 -4.835 12.190 -0.910 1.00 0.00 N ATOM 234 C2 DC A 8 -4.390 12.388 0.396 1.00 0.00 C ATOM 235 O2 DC A 8 -5.163 12.275 1.344 1.00 0.00 O ATOM 236 N3 DC A 8 -3.083 12.709 0.629 1.00 0.00 N ATOM 237 C4 DC A 8 -2.242 12.881 -0.396 1.00 0.00 C ATOM 238 N4 DC A 8 -0.962 13.117 -0.141 1.00 0.00 N ATOM 239 C5 DC A 8 -2.671 12.735 -1.750 1.00 0.00 C ATOM 240 C6 DC A 8 -3.961 12.389 -1.949 1.00 0.00 C ATOM 0 H5' DC A 8 -6.102 12.631 -4.711 1.00 0.00 H new ATOM 0 H5'' DC A 8 -5.321 11.112 -4.317 1.00 0.00 H new ATOM 0 H4' DC A 8 -8.056 10.966 -3.469 1.00 0.00 H new ATOM 0 H3' DC A 8 -6.829 13.656 -3.014 1.00 0.00 H new ATOM 0 H2' DC A 8 -7.064 13.522 -0.612 1.00 0.00 H new ATOM 0 H2'' DC A 8 -8.240 12.226 -0.709 1.00 0.00 H new ATOM 0 HO3' DC A 8 -8.957 14.137 -2.582 1.00 0.00 H new ATOM 0 H1' DC A 8 -6.289 10.947 -0.216 1.00 0.00 H new ATOM 0 H41 DC A 8 -0.305 13.251 -0.910 1.00 0.00 H new ATOM 0 H42 DC A 8 -0.635 13.165 0.824 1.00 0.00 H new ATOM 0 H5 DC A 8 -1.995 12.894 -2.577 1.00 0.00 H new ATOM 0 H6 DC A 8 -4.317 12.265 -2.961 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 9 0.807 12.516 9.866 1.00 0.00 O ATOM 255 C5' DG B 9 -0.344 12.473 10.681 1.00 0.00 C ATOM 256 C4' DG B 9 -1.416 11.550 10.085 1.00 0.00 C ATOM 257 O4' DG B 9 -1.525 11.791 8.695 1.00 0.00 O ATOM 258 C3' DG B 9 -1.075 10.056 10.220 1.00 0.00 C ATOM 259 O3' DG B 9 -2.215 9.224 10.112 1.00 0.00 O ATOM 260 C2' DG B 9 -0.272 9.801 8.950 1.00 0.00 C ATOM 261 C1' DG B 9 -1.121 10.628 7.985 1.00 0.00 C ATOM 262 N9 DG B 9 -0.481 11.063 6.728 1.00 0.00 N ATOM 263 C8 DG B 9 0.834 11.323 6.439 1.00 0.00 C ATOM 264 N7 DG B 9 1.028 11.812 5.246 1.00 0.00 N ATOM 265 C5 DG B 9 -0.252 11.889 4.701 1.00 0.00 C ATOM 266 C6 DG B 9 -0.703 12.341 3.424 1.00 0.00 C ATOM 267 O6 DG B 9 -0.041 12.830 2.513 1.00 0.00 O ATOM 268 N1 DG B 9 -2.070 12.182 3.246 1.00 0.00 N ATOM 269 C2 DG B 9 -2.922 11.708 4.214 1.00 0.00 C ATOM 270 N2 DG B 9 -4.210 11.579 3.921 1.00 0.00 N ATOM 271 N3 DG B 9 -2.520 11.329 5.429 1.00 0.00 N ATOM 272 C4 DG B 9 -1.178 11.433 5.604 1.00 0.00 C ATOM 0 H5' DG B 9 -0.749 13.478 10.795 1.00 0.00 H new ATOM 0 H5'' DG B 9 -0.074 12.124 11.677 1.00 0.00 H new ATOM 0 H4' DG B 9 -2.332 11.767 10.635 1.00 0.00 H new ATOM 0 H3' DG B 9 -0.595 9.849 11.177 1.00 0.00 H new ATOM 0 H2' DG B 9 0.757 10.155 9.020 1.00 0.00 H new ATOM 0 H2'' DG B 9 -0.229 8.746 8.680 1.00 0.00 H new ATOM 0 HO5' DG B 9 1.471 13.113 10.270 1.00 0.00 H new ATOM 0 H1' DG B 9 -1.930 9.972 7.664 1.00 0.00 H new ATOM 0 H8 DG B 9 1.637 11.139 7.137 1.00 0.00 H new ATOM 0 H1 DG B 9 -2.467 12.433 2.340 1.00 0.00 H new ATOM 0 H21 DG B 9 -4.860 11.229 4.624 1.00 0.00 H new ATOM 0 H22 DG B 9 -4.549 11.830 2.992 1.00 0.00 H new ATOM 285 P DC B 10 -3.525 9.383 11.036 1.00 0.00 P ATOM 286 OP1 DC B 10 -4.575 10.055 10.242 1.00 0.00 O ATOM 287 OP2 DC B 10 -3.092 9.976 12.320 1.00 0.00 O ATOM 288 O5' DC B 10 -3.978 7.866 11.315 1.00 0.00 O ATOM 289 C5' DC B 10 -3.739 6.817 10.396 1.00 0.00 C ATOM 290 C4' DC B 10 -4.536 6.926 9.081 1.00 0.00 C ATOM 291 O4' DC B 10 -3.991 7.892 8.167 1.00 0.00 O ATOM 292 C3' DC B 10 -4.464 5.561 8.376 1.00 0.00 C ATOM 293 O3' DC B 10 -5.704 5.322 7.762 1.00 0.00 O ATOM 294 C2' DC B 10 -3.340 5.880 7.403 1.00 0.00 C ATOM 295 C1' DC B 10 -3.747 7.259 6.914 1.00 0.00 C ATOM 296 N1 DC B 10 -2.663 7.847 6.071 1.00 0.00 N ATOM 297 C2 DC B 10 -2.904 8.349 4.787 1.00 0.00 C ATOM 298 O2 DC B 10 -4.047 8.478 4.350 1.00 0.00 O ATOM 299 N3 DC B 10 -1.842 8.706 3.990 1.00 0.00 N ATOM 300 C4 DC B 10 -0.588 8.507 4.426 1.00 0.00 C ATOM 301 N4 DC B 10 0.436 8.951 3.705 1.00 0.00 N ATOM 302 C5 DC B 10 -0.321 7.932 5.704 1.00 0.00 C ATOM 303 C6 DC B 10 -1.384 7.633 6.463 1.00 0.00 C ATOM 0 H5' DC B 10 -3.981 5.869 10.875 1.00 0.00 H new ATOM 0 H5'' DC B 10 -2.675 6.793 10.160 1.00 0.00 H new ATOM 0 H4' DC B 10 -5.549 7.233 9.340 1.00 0.00 H new ATOM 0 H3' DC B 10 -4.280 4.667 8.972 1.00 0.00 H new ATOM 0 H2' DC B 10 -2.365 5.889 7.891 1.00 0.00 H new ATOM 0 H2'' DC B 10 -3.283 5.156 6.590 1.00 0.00 H new ATOM 0 H1' DC B 10 -4.607 7.332 6.248 1.00 0.00 H new ATOM 0 H41 DC B 10 1.391 8.803 4.031 1.00 0.00 H new ATOM 0 H42 DC B 10 0.267 9.440 2.826 1.00 0.00 H new ATOM 0 H5 DC B 10 0.688 7.747 6.043 1.00 0.00 H new ATOM 0 H6 DC B 10 -1.212 7.199 7.437 1.00 0.00 H new ATOM 315 P DG B 11 -6.283 3.843 7.556 1.00 0.00 P ATOM 316 OP1 DG B 11 -7.382 3.633 8.521 1.00 0.00 O ATOM 317 OP2 DG B 11 -5.149 2.895 7.497 1.00 0.00 O ATOM 318 O5' DG B 11 -6.892 4.004 6.089 1.00 0.00 O ATOM 319 C5' DG B 11 -7.865 4.984 5.802 1.00 0.00 C ATOM 320 C4' DG B 11 -8.148 4.990 4.298 1.00 0.00 C ATOM 321 O4' DG B 11 -7.096 5.684 3.654 1.00 0.00 O ATOM 322 C3' DG B 11 -8.205 3.572 3.717 1.00 0.00 C ATOM 323 O3' DG B 11 -9.237 3.501 2.751 1.00 0.00 O ATOM 324 C2' DG B 11 -6.802 3.392 3.145 1.00 0.00 C ATOM 325 C1' DG B 11 -6.376 4.818 2.799 1.00 0.00 C ATOM 326 N9 DG B 11 -4.930 5.037 3.002 1.00 0.00 N ATOM 327 C8 DG B 11 -4.195 4.818 4.137 1.00 0.00 C ATOM 328 N7 DG B 11 -2.955 5.204 4.054 1.00 0.00 N ATOM 329 C5 DG B 11 -2.846 5.676 2.751 1.00 0.00 C ATOM 330 C6 DG B 11 -1.705 6.144 2.041 1.00 0.00 C ATOM 331 O6 DG B 11 -0.568 6.323 2.468 1.00 0.00 O ATOM 332 N1 DG B 11 -1.973 6.409 0.712 1.00 0.00 N ATOM 333 C2 DG B 11 -3.207 6.274 0.128 1.00 0.00 C ATOM 334 N2 DG B 11 -3.306 6.508 -1.174 1.00 0.00 N ATOM 335 N3 DG B 11 -4.291 5.842 0.783 1.00 0.00 N ATOM 336 C4 DG B 11 -4.042 5.554 2.089 1.00 0.00 C ATOM 0 H5' DG B 11 -7.515 5.965 6.122 1.00 0.00 H new ATOM 0 H5'' DG B 11 -8.781 4.777 6.355 1.00 0.00 H new ATOM 0 H4' DG B 11 -9.115 5.466 4.136 1.00 0.00 H new ATOM 0 H3' DG B 11 -8.443 2.780 4.427 1.00 0.00 H new ATOM 0 H2' DG B 11 -6.128 2.936 3.870 1.00 0.00 H new ATOM 0 H2'' DG B 11 -6.806 2.749 2.265 1.00 0.00 H new ATOM 0 H1' DG B 11 -6.584 5.006 1.746 1.00 0.00 H new ATOM 0 H8 DG B 11 -4.609 4.364 5.025 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.201 6.726 0.125 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.208 6.417 -1.641 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.480 6.779 -1.708 1.00 0.00 H new ATOM 348 P DT B 12 -9.697 2.102 2.090 1.00 0.00 P ATOM 349 OP1 DT B 12 -11.044 2.292 1.512 1.00 0.00 O ATOM 350 OP2 DT B 12 -9.468 1.026 3.078 1.00 0.00 O ATOM 351 O5' DT B 12 -8.653 1.925 0.881 1.00 0.00 O ATOM 352 C5' DT B 12 -8.702 2.788 -0.234 1.00 0.00 C ATOM 353 C4' DT B 12 -7.515 2.560 -1.171 1.00 0.00 C ATOM 354 O4' DT B 12 -6.281 2.844 -0.554 1.00 0.00 O ATOM 355 C3' DT B 12 -7.375 1.111 -1.672 1.00 0.00 C ATOM 356 O3' DT B 12 -8.067 0.874 -2.896 1.00 0.00 O ATOM 357 C2' DT B 12 -5.859 0.859 -1.684 1.00 0.00 C ATOM 358 C1' DT B 12 -5.291 2.241 -1.367 1.00 0.00 C ATOM 359 N1 DT B 12 -4.007 2.242 -0.641 1.00 0.00 N ATOM 360 C2 DT B 12 -3.002 3.164 -0.882 1.00 0.00 C ATOM 361 O2 DT B 12 -2.926 3.807 -1.923 1.00 0.00 O ATOM 362 N3 DT B 12 -2.072 3.326 0.123 1.00 0.00 N ATOM 363 C4 DT B 12 -2.043 2.678 1.333 1.00 0.00 C ATOM 364 O4 DT B 12 -1.336 3.103 2.242 1.00 0.00 O ATOM 365 C5 DT B 12 -2.900 1.425 1.526 1.00 0.00 C ATOM 366 C7 DT B 12 -3.779 1.446 2.776 1.00 0.00 C ATOM 367 C6 DT B 12 -3.832 1.184 0.359 1.00 0.00 C ATOM 0 H5' DT B 12 -8.705 3.824 0.106 1.00 0.00 H new ATOM 0 H5'' DT B 12 -9.633 2.628 -0.778 1.00 0.00 H new ATOM 0 H4' DT B 12 -7.733 3.234 -1.999 1.00 0.00 H new ATOM 0 H3' DT B 12 -7.865 0.382 -1.027 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.565 0.119 -0.940 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.516 0.492 -2.651 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.073 2.761 -2.300 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.326 3.999 -0.051 1.00 0.00 H new ATOM 0 H71 DT B 12 -4.682 0.863 2.596 1.00 0.00 H new ATOM 0 H72 DT B 12 -3.230 1.016 3.614 1.00 0.00 H new ATOM 0 H73 DT B 12 -4.053 2.475 3.011 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.360 0.247 0.264 1.00 0.00 H new ATOM 380 P DA B 13 -7.686 1.504 -4.353 1.00 0.00 P ATOM 381 OP1 DA B 13 -7.226 2.900 -4.196 1.00 0.00 O ATOM 382 OP2 DA B 13 -8.816 1.214 -5.261 1.00 0.00 O ATOM 383 O5' DA B 13 -6.430 0.630 -4.823 1.00 0.00 O ATOM 384 C5' DA B 13 -6.581 -0.743 -5.076 1.00 0.00 C ATOM 385 C4' DA B 13 -5.222 -1.350 -5.411 1.00 0.00 C ATOM 386 O4' DA B 13 -4.354 -1.359 -4.292 1.00 0.00 O ATOM 387 C3' DA B 13 -5.429 -2.803 -5.834 1.00 0.00 C ATOM 388 O3' DA B 13 -4.606 -3.145 -6.922 1.00 0.00 O ATOM 389 C2' DA B 13 -4.950 -3.519 -4.587 1.00 0.00 C ATOM 390 C1' DA B 13 -3.770 -2.641 -4.165 1.00 0.00 C ATOM 391 N9 DA B 13 -3.365 -2.882 -2.762 1.00 0.00 N ATOM 392 C8 DA B 13 -4.190 -2.807 -1.677 1.00 0.00 C ATOM 393 N7 DA B 13 -3.654 -3.231 -0.565 1.00 0.00 N ATOM 394 C5 DA B 13 -2.319 -3.424 -0.912 1.00 0.00 C ATOM 395 C6 DA B 13 -1.165 -3.685 -0.144 1.00 0.00 C ATOM 396 N6 DA B 13 -1.195 -4.001 1.148 1.00 0.00 N ATOM 397 N1 DA B 13 0.037 -3.483 -0.694 1.00 0.00 N ATOM 398 C2 DA B 13 0.105 -3.189 -1.982 1.00 0.00 C ATOM 399 N3 DA B 13 -0.894 -3.012 -2.850 1.00 0.00 N ATOM 400 C4 DA B 13 -2.107 -3.118 -2.234 1.00 0.00 C ATOM 0 H5' DA B 13 -7.274 -0.897 -5.903 1.00 0.00 H new ATOM 0 H5'' DA B 13 -7.008 -1.240 -4.205 1.00 0.00 H new ATOM 0 H4' DA B 13 -4.776 -0.746 -6.201 1.00 0.00 H new ATOM 0 H3' DA B 13 -6.445 -3.034 -6.154 1.00 0.00 H new ATOM 0 H2' DA B 13 -5.722 -3.566 -3.819 1.00 0.00 H new ATOM 0 H2'' DA B 13 -4.645 -4.545 -4.795 1.00 0.00 H new ATOM 0 H1' DA B 13 -2.863 -2.810 -4.745 1.00 0.00 H new ATOM 0 H8 DA B 13 -5.200 -2.429 -1.734 1.00 0.00 H new ATOM 0 H61 DA B 13 -0.325 -4.179 1.650 1.00 0.00 H new ATOM 0 H62 DA B 13 -2.088 -4.065 1.637 1.00 0.00 H new ATOM 0 H2 DA B 13 1.101 -3.077 -2.385 1.00 0.00 H new ATOM 412 P DC B 14 -5.024 -2.787 -8.430 1.00 0.00 P ATOM 413 OP1 DC B 14 -5.275 -1.332 -8.508 1.00 0.00 O ATOM 414 OP2 DC B 14 -6.087 -3.732 -8.836 1.00 0.00 O ATOM 415 O5' DC B 14 -3.686 -3.132 -9.248 1.00 0.00 O ATOM 416 C5' DC B 14 -3.186 -4.450 -9.306 1.00 0.00 C ATOM 417 C4' DC B 14 -1.896 -4.586 -8.487 1.00 0.00 C ATOM 418 O4' DC B 14 -2.102 -4.522 -7.072 1.00 0.00 O ATOM 419 C3' DC B 14 -1.270 -5.957 -8.781 1.00 0.00 C ATOM 420 O3' DC B 14 0.102 -5.757 -9.086 1.00 0.00 O ATOM 421 C2' DC B 14 -1.482 -6.642 -7.437 1.00 0.00 C ATOM 422 C1' DC B 14 -1.237 -5.487 -6.486 1.00 0.00 C ATOM 423 N1 DC B 14 -1.541 -5.869 -5.077 1.00 0.00 N ATOM 424 C2 DC B 14 -0.485 -6.034 -4.183 1.00 0.00 C ATOM 425 O2 DC B 14 0.687 -5.898 -4.531 1.00 0.00 O ATOM 426 N3 DC B 14 -0.754 -6.357 -2.890 1.00 0.00 N ATOM 427 C4 DC B 14 -2.001 -6.633 -2.503 1.00 0.00 C ATOM 428 N4 DC B 14 -2.219 -6.931 -1.231 1.00 0.00 N ATOM 429 C5 DC B 14 -3.095 -6.569 -3.415 1.00 0.00 C ATOM 430 C6 DC B 14 -2.810 -6.194 -4.682 1.00 0.00 C ATOM 0 H5' DC B 14 -2.993 -4.724 -10.343 1.00 0.00 H new ATOM 0 H5'' DC B 14 -3.936 -5.144 -8.927 1.00 0.00 H new ATOM 0 H4' DC B 14 -1.260 -3.749 -8.777 1.00 0.00 H new ATOM 0 H3' DC B 14 -1.678 -6.525 -9.617 1.00 0.00 H new ATOM 0 H2' DC B 14 -2.486 -7.053 -7.337 1.00 0.00 H new ATOM 0 H2'' DC B 14 -0.784 -7.464 -7.277 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.212 -5.130 -6.387 1.00 0.00 H new ATOM 0 H41 DC B 14 -3.164 -7.145 -0.912 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.442 -6.946 -0.570 1.00 0.00 H new ATOM 0 H5 DC B 14 -4.102 -6.809 -3.108 1.00 0.00 H new ATOM 0 H6 DC B 14 -3.610 -6.149 -5.406 1.00 0.00 H new ATOM 442 P DG B 15 0.923 -6.647 -10.161 1.00 0.00 P ATOM 443 OP1 DG B 15 2.067 -5.831 -10.620 1.00 0.00 O ATOM 444 OP2 DG B 15 -0.035 -7.181 -11.153 1.00 0.00 O ATOM 445 O5' DG B 15 1.510 -7.883 -9.309 1.00 0.00 O ATOM 446 C5' DG B 15 2.160 -7.668 -8.074 1.00 0.00 C ATOM 447 C4' DG B 15 3.154 -8.787 -7.727 1.00 0.00 C ATOM 448 O4' DG B 15 3.234 -8.823 -6.314 1.00 0.00 O ATOM 449 C3' DG B 15 2.787 -10.213 -8.173 1.00 0.00 C ATOM 450 O3' DG B 15 3.927 -11.048 -8.071 1.00 0.00 O ATOM 451 C2' DG B 15 1.732 -10.434 -7.115 1.00 0.00 C ATOM 452 C1' DG B 15 2.467 -9.922 -5.873 1.00 0.00 C ATOM 453 N9 DG B 15 1.543 -9.579 -4.780 1.00 0.00 N ATOM 454 C8 DG B 15 0.191 -9.458 -4.848 1.00 0.00 C ATOM 455 N7 DG B 15 -0.406 -9.308 -3.702 1.00 0.00 N ATOM 456 C5 DG B 15 0.649 -9.312 -2.791 1.00 0.00 C ATOM 457 C6 DG B 15 0.649 -9.236 -1.366 1.00 0.00 C ATOM 458 O6 DG B 15 -0.315 -9.131 -0.611 1.00 0.00 O ATOM 459 N1 DG B 15 1.928 -9.293 -0.833 1.00 0.00 N ATOM 460 C2 DG B 15 3.070 -9.484 -1.573 1.00 0.00 C ATOM 461 N2 DG B 15 4.234 -9.617 -0.952 1.00 0.00 N ATOM 462 N3 DG B 15 3.076 -9.617 -2.898 1.00 0.00 N ATOM 463 C4 DG B 15 1.843 -9.490 -3.446 1.00 0.00 C ATOM 0 H5' DG B 15 1.414 -7.592 -7.283 1.00 0.00 H new ATOM 0 H5'' DG B 15 2.688 -6.715 -8.107 1.00 0.00 H new ATOM 0 H4' DG B 15 4.071 -8.539 -8.261 1.00 0.00 H new ATOM 0 H3' DG B 15 2.455 -10.397 -9.195 1.00 0.00 H new ATOM 0 H2' DG B 15 0.819 -9.873 -7.317 1.00 0.00 H new ATOM 0 H2'' DG B 15 1.448 -11.483 -7.026 1.00 0.00 H new ATOM 0 H1' DG B 15 3.107 -10.691 -5.441 1.00 0.00 H new ATOM 0 H8 DG B 15 -0.348 -9.484 -5.784 1.00 0.00 H new ATOM 0 H1 DG B 15 2.028 -9.186 0.176 1.00 0.00 H new ATOM 0 H21 DG B 15 5.087 -9.759 -1.493 1.00 0.00 H new ATOM 0 H22 DG B 15 4.276 -9.577 0.066 1.00 0.00 H new ATOM 475 P DC B 16 3.867 -12.649 -8.275 1.00 0.00 P ATOM 476 OP1 DC B 16 4.981 -13.038 -9.165 1.00 0.00 O ATOM 477 OP2 DC B 16 2.480 -13.024 -8.625 1.00 0.00 O ATOM 478 O5' DC B 16 4.191 -13.189 -6.790 1.00 0.00 O ATOM 479 C5' DC B 16 5.480 -13.006 -6.236 1.00 0.00 C ATOM 480 C4' DC B 16 5.525 -13.358 -4.751 1.00 0.00 C ATOM 481 O4' DC B 16 4.684 -12.478 -4.041 1.00 0.00 O ATOM 482 C3' DC B 16 5.025 -14.756 -4.398 1.00 0.00 C ATOM 483 O3' DC B 16 6.016 -15.740 -4.598 1.00 0.00 O ATOM 484 C2' DC B 16 4.692 -14.570 -2.922 1.00 0.00 C ATOM 485 C1' DC B 16 4.351 -13.077 -2.801 1.00 0.00 C ATOM 486 N1 DC B 16 2.906 -12.868 -2.522 1.00 0.00 N ATOM 487 C2 DC B 16 2.502 -12.729 -1.197 1.00 0.00 C ATOM 488 O2 DC B 16 3.309 -12.802 -0.273 1.00 0.00 O ATOM 489 N3 DC B 16 1.189 -12.507 -0.919 1.00 0.00 N ATOM 490 C4 DC B 16 0.292 -12.457 -1.908 1.00 0.00 C ATOM 491 N4 DC B 16 -0.962 -12.163 -1.596 1.00 0.00 N ATOM 492 C5 DC B 16 0.673 -12.602 -3.281 1.00 0.00 C ATOM 493 C6 DC B 16 1.987 -12.797 -3.539 1.00 0.00 C ATOM 0 H5' DC B 16 5.788 -11.969 -6.371 1.00 0.00 H new ATOM 0 H5'' DC B 16 6.197 -13.624 -6.776 1.00 0.00 H new ATOM 0 H4' DC B 16 6.581 -13.290 -4.488 1.00 0.00 H new ATOM 0 H3' DC B 16 4.192 -15.105 -5.009 1.00 0.00 H new ATOM 0 H2' DC B 16 3.852 -15.196 -2.621 1.00 0.00 H new ATOM 0 H2'' DC B 16 5.535 -14.839 -2.286 1.00 0.00 H new ATOM 0 HO3' DC B 16 5.656 -16.620 -4.359 1.00 0.00 H new ATOM 0 H1' DC B 16 4.907 -12.636 -1.974 1.00 0.00 H new ATOM 0 H41 DC B 16 -1.672 -12.117 -2.327 1.00 0.00 H new ATOM 0 H42 DC B 16 -1.217 -11.983 -0.625 1.00 0.00 H new ATOM 0 H5 DC B 16 -0.057 -12.558 -4.076 1.00 0.00 H new ATOM 0 H6 DC B 16 2.318 -12.898 -4.562 1.00 0.00 H new TER 506 DC B 16 HETATM 507 O1 PSO B 1 -1.028 0.176 -1.484 1.00 0.00 O HETATM 508 C2 PSO B 1 -2.283 0.101 -1.417 1.00 0.00 C HETATM 509 C3 PSO B 1 -3.059 -0.028 -0.116 1.00 0.00 C HETATM 510 C4 PSO B 1 -2.238 0.092 1.124 1.00 0.00 C HETATM 511 C5 PSO B 1 -0.038 0.414 1.990 1.00 0.00 C HETATM 512 C6 PSO B 1 1.338 0.623 1.801 1.00 0.00 C HETATM 513 C7 PSO B 1 1.857 0.619 0.555 1.00 0.00 C HETATM 514 C8 PSO B 1 1.045 0.307 -0.543 1.00 0.00 C HETATM 515 C9 PSO B 1 -0.356 0.253 -0.404 1.00 0.00 C HETATM 516 C10 PSO B 1 -0.877 0.244 0.881 1.00 0.00 C HETATM 517 C4' PSO B 1 2.437 0.339 2.774 1.00 0.00 C HETATM 518 C5' PSO B 1 3.609 0.607 1.849 1.00 0.00 C HETATM 519 O6' PSO B 1 3.106 0.711 0.510 1.00 0.00 O HETATM 520 O11 PSO B 1 -2.910 0.135 -2.468 1.00 0.00 O HETATM 521 C12 PSO B 1 -2.543 -1.007 2.152 1.00 0.00 C HETATM 522 C13 PSO B 1 2.375 1.130 4.088 1.00 0.00 C HETATM 523 O14 PSO B 1 1.994 2.482 3.960 1.00 0.00 O HETATM 524 C15 PSO B 1 4.355 1.823 2.399 1.00 0.00 C HETATM 525 C16 PSO B 1 1.674 0.016 -1.883 1.00 0.00 C HETATM 0 H163 PSO B 1 2.244 0.884 -2.214 1.00 0.00 H new HETATM 0 H162 PSO B 1 2.340 -0.842 -1.794 1.00 0.00 H new HETATM 0 H161 PSO B 1 0.893 -0.204 -2.611 1.00 0.00 H new HETATM 0 H153 PSO B 1 3.684 2.681 2.423 1.00 0.00 H new HETATM 0 H152 PSO B 1 4.706 1.608 3.408 1.00 0.00 H new HETATM 0 H151 PSO B 1 5.208 2.047 1.758 1.00 0.00 H new HETATM 0 H132 PSO B 1 1.674 0.634 4.759 1.00 0.00 H new HETATM 0 H131 PSO B 1 3.355 1.089 4.564 1.00 0.00 H new HETATM 0 H123 PSO B 1 -3.592 -0.952 2.443 1.00 0.00 H new HETATM 0 H122 PSO B 1 -2.339 -1.983 1.712 1.00 0.00 H new HETATM 0 H121 PSO B 1 -1.915 -0.867 3.032 1.00 0.00 H new HETATM 0 H5 PSO B 1 -0.452 0.384 2.998 1.00 0.00 H new HETATM 0 H14 PSO B 1 1.981 2.903 4.845 1.00 0.00 H new