USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 263 hydrogens (81 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 21 DAGHN41 : B 21 DAG N4 : B 22 TMR O1 :(H bumps) USER MOD NoAdj-H: A 25 DPA H1 : A 25 DPA C1 : B 24 DLF O3 :(H bumps) USER MOD NoAdj-H: B 26 MTC H92 : B 26 MTC C9 : B 24 DLF O1 :(H bumps) USER MOD NoAdj-H: B 26 MTC H12 : B 26 MTC C1 : B 21 DAG O1 :(H bumps) USER MOD Single : A 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 5 DT C7 :methyl -30:sc= -0.479 (180deg=-1.34) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 11 DC O5' : rot 180:sc= 0 USER MOD Single : B 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 18 DG O3' : rot 180:sc= 0 USER MOD Single : B 21 DAG O3 : rot -74:sc= 0.00367 USER MOD Single : B 22 TMR C7 :methyl -152:sc= -0.23 (180deg=-1.15) USER MOD Single : B 22 TMR O3 : rot 126:sc= 1.12 USER MOD Single : B 24 DLF O4 : rot 97:sc= 0.649 USER MOD Single : B 26 MTC C16 :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 26 MTC O8 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 2.110 -2.700 -19.977 1.00 0.00 O ATOM 2 C5' DC A 1 2.296 -3.302 -18.687 1.00 0.00 C ATOM 3 C4' DC A 1 2.268 -2.259 -17.546 1.00 0.00 C ATOM 4 O4' DC A 1 0.915 -1.842 -17.188 1.00 0.00 O ATOM 5 C3' DC A 1 2.859 -2.768 -16.226 1.00 0.00 C ATOM 6 O3' DC A 1 4.272 -2.472 -16.132 1.00 0.00 O ATOM 7 C2' DC A 1 2.059 -2.050 -15.124 1.00 0.00 C ATOM 8 C1' DC A 1 0.958 -1.294 -15.854 1.00 0.00 C ATOM 9 N1 DC A 1 -0.378 -1.223 -15.171 1.00 0.00 N ATOM 10 C2 DC A 1 -0.827 -0.025 -14.519 1.00 0.00 C ATOM 11 O2 DC A 1 -0.059 0.876 -14.140 1.00 0.00 O ATOM 12 N3 DC A 1 -2.164 0.143 -14.278 1.00 0.00 N ATOM 13 C4 DC A 1 -3.038 -0.829 -14.609 1.00 0.00 C ATOM 14 N4 DC A 1 -4.364 -0.630 -14.486 1.00 0.00 N ATOM 15 C5 DC A 1 -2.585 -2.080 -15.149 1.00 0.00 C ATOM 16 C6 DC A 1 -1.275 -2.200 -15.418 1.00 0.00 C ATOM 0 H5' DC A 1 3.248 -3.832 -18.669 1.00 0.00 H new ATOM 0 H5'' DC A 1 1.515 -4.044 -18.518 1.00 0.00 H new ATOM 0 H4' DC A 1 2.859 -1.444 -17.962 1.00 0.00 H new ATOM 0 H3' DC A 1 2.782 -3.852 -16.139 1.00 0.00 H new ATOM 0 H2' DC A 1 1.642 -2.763 -14.413 1.00 0.00 H new ATOM 0 H2'' DC A 1 2.694 -1.369 -14.557 1.00 0.00 H new ATOM 0 HO5' DC A 1 2.136 -3.394 -20.669 1.00 0.00 H new ATOM 0 H1' DC A 1 1.209 -0.233 -15.866 1.00 0.00 H new ATOM 0 H41 DC A 1 -5.017 -1.372 -14.739 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.716 0.263 -14.140 1.00 0.00 H new ATOM 0 H5 DC A 1 -3.272 -2.893 -15.332 1.00 0.00 H new ATOM 0 H6 DC A 1 -0.922 -3.123 -15.853 1.00 0.00 H new ATOM 29 P DG A 2 5.516 -3.406 -15.746 1.00 0.00 P ATOM 30 OP1 DG A 2 6.603 -3.153 -16.724 1.00 0.00 O ATOM 31 OP2 DG A 2 5.075 -4.809 -15.609 1.00 0.00 O ATOM 32 O5' DG A 2 5.986 -2.869 -14.316 1.00 0.00 O ATOM 33 C5' DG A 2 6.441 -1.539 -13.911 1.00 0.00 C ATOM 34 C4' DG A 2 5.818 -1.043 -12.575 1.00 0.00 C ATOM 35 O4' DG A 2 4.367 -0.960 -12.666 1.00 0.00 O ATOM 36 C3' DG A 2 6.062 -1.967 -11.395 1.00 0.00 C ATOM 37 O3' DG A 2 7.335 -1.671 -10.772 1.00 0.00 O ATOM 38 C2' DG A 2 4.848 -1.721 -10.468 1.00 0.00 C ATOM 39 C1' DG A 2 3.822 -0.952 -11.353 1.00 0.00 C ATOM 40 N9 DG A 2 2.461 -1.544 -11.446 1.00 0.00 N ATOM 41 C8 DG A 2 2.122 -2.812 -11.785 1.00 0.00 C ATOM 42 N7 DG A 2 0.818 -3.054 -11.844 1.00 0.00 N ATOM 43 C5 DG A 2 0.247 -1.830 -11.518 1.00 0.00 C ATOM 44 C6 DG A 2 -1.119 -1.443 -11.417 1.00 0.00 C ATOM 45 O6 DG A 2 -2.108 -2.157 -11.612 1.00 0.00 O ATOM 46 N1 DG A 2 -1.265 -0.116 -11.025 1.00 0.00 N ATOM 47 C2 DG A 2 -0.228 0.745 -10.776 1.00 0.00 C ATOM 48 N2 DG A 2 -0.580 1.937 -10.345 1.00 0.00 N ATOM 49 N3 DG A 2 1.048 0.414 -10.928 1.00 0.00 N ATOM 50 C4 DG A 2 1.240 -0.879 -11.273 1.00 0.00 C ATOM 0 H5' DG A 2 6.200 -0.827 -14.700 1.00 0.00 H new ATOM 0 H5'' DG A 2 7.527 -1.551 -13.813 1.00 0.00 H new ATOM 0 H4' DG A 2 6.300 -0.079 -12.415 1.00 0.00 H new ATOM 0 H3' DG A 2 6.134 -3.020 -11.668 1.00 0.00 H new ATOM 0 H2' DG A 2 4.431 -2.660 -10.104 1.00 0.00 H new ATOM 0 H2'' DG A 2 5.131 -1.137 -9.592 1.00 0.00 H new ATOM 0 H1' DG A 2 3.684 0.028 -10.896 1.00 0.00 H new ATOM 0 H8 DG A 2 2.861 -3.572 -11.992 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.214 0.242 -10.915 1.00 0.00 H new ATOM 0 H21 DG A 2 0.134 2.635 -10.137 1.00 0.00 H new ATOM 0 H22 DG A 2 -1.567 2.163 -10.219 1.00 0.00 H new ATOM 62 P DG A 3 8.261 -2.618 -9.868 1.00 0.00 P ATOM 63 OP1 DG A 3 9.672 -2.178 -9.930 1.00 0.00 O ATOM 64 OP2 DG A 3 8.032 -4.023 -10.269 1.00 0.00 O ATOM 65 O5' DG A 3 7.704 -2.344 -8.388 1.00 0.00 O ATOM 66 C5' DG A 3 7.731 -1.089 -7.639 1.00 0.00 C ATOM 67 C4' DG A 3 7.274 -1.178 -6.166 1.00 0.00 C ATOM 68 O4' DG A 3 5.927 -1.724 -6.078 1.00 0.00 O ATOM 69 C3' DG A 3 8.118 -2.060 -5.216 1.00 0.00 C ATOM 70 O3' DG A 3 8.991 -1.258 -4.360 1.00 0.00 O ATOM 71 C2' DG A 3 7.013 -2.889 -4.409 1.00 0.00 C ATOM 72 C1' DG A 3 5.714 -2.070 -4.722 1.00 0.00 C ATOM 73 N9 DG A 3 4.378 -2.781 -4.651 1.00 0.00 N ATOM 74 C8 DG A 3 4.028 -4.095 -4.957 1.00 0.00 C ATOM 75 N7 DG A 3 2.724 -4.315 -4.962 1.00 0.00 N ATOM 76 C5 DG A 3 2.150 -3.097 -4.661 1.00 0.00 C ATOM 77 C6 DG A 3 0.779 -2.739 -4.562 1.00 0.00 C ATOM 78 O6 DG A 3 -0.188 -3.501 -4.657 1.00 0.00 O ATOM 79 N1 DG A 3 0.591 -1.391 -4.323 1.00 0.00 N ATOM 80 C2 DG A 3 1.597 -0.480 -4.135 1.00 0.00 C ATOM 81 N2 DG A 3 1.152 0.753 -3.947 1.00 0.00 N ATOM 82 N3 DG A 3 2.900 -0.819 -4.157 1.00 0.00 N ATOM 83 C4 DG A 3 3.127 -2.127 -4.454 1.00 0.00 C ATOM 0 H5' DG A 3 7.098 -0.366 -8.154 1.00 0.00 H new ATOM 0 H5'' DG A 3 8.747 -0.695 -7.662 1.00 0.00 H new ATOM 0 H4' DG A 3 7.372 -0.142 -5.841 1.00 0.00 H new ATOM 0 H3' DG A 3 8.816 -2.716 -5.736 1.00 0.00 H new ATOM 0 H2' DG A 3 6.941 -3.920 -4.755 1.00 0.00 H new ATOM 0 H2'' DG A 3 7.227 -2.925 -3.341 1.00 0.00 H new ATOM 0 H1' DG A 3 5.611 -1.284 -3.974 1.00 0.00 H new ATOM 0 H8 DG A 3 4.756 -4.864 -5.171 1.00 0.00 H new ATOM 0 H1 DG A 3 -0.369 -1.048 -4.284 1.00 0.00 H new ATOM 0 H21 DG A 3 1.812 1.516 -3.796 1.00 0.00 H new ATOM 0 H22 DG A 3 0.149 0.940 -3.953 1.00 0.00 H new ATOM 95 P DA A 4 9.417 -0.982 -2.835 1.00 0.00 P ATOM 96 OP1 DA A 4 10.726 -0.291 -2.829 1.00 0.00 O ATOM 97 OP2 DA A 4 9.364 -2.268 -2.084 1.00 0.00 O ATOM 98 O5' DA A 4 8.296 0.031 -2.308 1.00 0.00 O ATOM 99 C5' DA A 4 8.060 1.410 -2.735 1.00 0.00 C ATOM 100 C4' DA A 4 7.125 2.229 -1.813 1.00 0.00 C ATOM 101 O4' DA A 4 5.833 1.549 -1.713 1.00 0.00 O ATOM 102 C3' DA A 4 7.650 2.391 -0.353 1.00 0.00 C ATOM 103 O3' DA A 4 7.585 3.793 0.043 1.00 0.00 O ATOM 104 C2' DA A 4 6.753 1.404 0.488 1.00 0.00 C ATOM 105 C1' DA A 4 5.463 1.324 -0.356 1.00 0.00 C ATOM 106 N9 DA A 4 4.772 -0.005 -0.380 1.00 0.00 N ATOM 107 C8 DA A 4 5.308 -1.263 -0.626 1.00 0.00 C ATOM 108 N7 DA A 4 4.429 -2.215 -0.870 1.00 0.00 N ATOM 109 C5 DA A 4 3.215 -1.534 -0.786 1.00 0.00 C ATOM 110 C6 DA A 4 1.880 -1.983 -0.979 1.00 0.00 C ATOM 111 N6 DA A 4 1.595 -3.258 -1.294 1.00 0.00 N ATOM 112 N1 DA A 4 0.893 -1.075 -0.845 1.00 0.00 N ATOM 113 C2 DA A 4 1.179 0.188 -0.517 1.00 0.00 C ATOM 114 N3 DA A 4 2.392 0.738 -0.339 1.00 0.00 N ATOM 115 C4 DA A 4 3.381 -0.190 -0.483 1.00 0.00 C ATOM 0 H5' DA A 4 7.635 1.396 -3.739 1.00 0.00 H new ATOM 0 H5'' DA A 4 9.019 1.923 -2.802 1.00 0.00 H new ATOM 0 H4' DA A 4 7.061 3.218 -2.267 1.00 0.00 H new ATOM 0 H3' DA A 4 8.700 2.135 -0.208 1.00 0.00 H new ATOM 0 H2' DA A 4 7.223 0.427 0.604 1.00 0.00 H new ATOM 0 H2'' DA A 4 6.559 1.786 1.490 1.00 0.00 H new ATOM 0 H1' DA A 4 4.785 2.048 0.095 1.00 0.00 H new ATOM 0 H8 DA A 4 6.372 -1.448 -0.618 1.00 0.00 H new ATOM 0 H61 DA A 4 0.625 -3.546 -1.425 1.00 0.00 H new ATOM 0 H62 DA A 4 2.348 -3.937 -1.402 1.00 0.00 H new ATOM 0 H2 DA A 4 0.334 0.846 -0.378 1.00 0.00 H new ATOM 127 P DT A 5 7.301 4.692 1.344 1.00 0.00 P ATOM 128 OP1 DT A 5 7.598 6.112 1.010 1.00 0.00 O ATOM 129 OP2 DT A 5 8.010 4.128 2.520 1.00 0.00 O ATOM 130 O5' DT A 5 5.734 4.514 1.521 1.00 0.00 O ATOM 131 C5' DT A 5 4.637 5.041 0.721 1.00 0.00 C ATOM 132 C4' DT A 5 3.307 5.115 1.479 1.00 0.00 C ATOM 133 O4' DT A 5 2.782 3.776 1.668 1.00 0.00 O ATOM 134 C3' DT A 5 3.385 5.804 2.849 1.00 0.00 C ATOM 135 O3' DT A 5 2.526 6.980 2.914 1.00 0.00 O ATOM 136 C2' DT A 5 3.019 4.634 3.819 1.00 0.00 C ATOM 137 C1' DT A 5 2.230 3.628 2.956 1.00 0.00 C ATOM 138 N1 DT A 5 2.542 2.201 3.272 1.00 0.00 N ATOM 139 C2 DT A 5 1.466 1.273 3.297 1.00 0.00 C ATOM 140 O2 DT A 5 0.270 1.540 3.391 1.00 0.00 O ATOM 141 N3 DT A 5 1.841 -0.045 3.198 1.00 0.00 N ATOM 142 C4 DT A 5 3.116 -0.562 3.133 1.00 0.00 C ATOM 143 O4 DT A 5 3.256 -1.772 2.946 1.00 0.00 O ATOM 144 C5 DT A 5 4.192 0.420 3.267 1.00 0.00 C ATOM 145 C7 DT A 5 5.599 -0.091 3.450 1.00 0.00 C ATOM 146 C6 DT A 5 3.864 1.735 3.234 1.00 0.00 C ATOM 0 H5' DT A 5 4.508 4.415 -0.162 1.00 0.00 H new ATOM 0 H5'' DT A 5 4.901 6.038 0.369 1.00 0.00 H new ATOM 0 H4' DT A 5 2.653 5.729 0.859 1.00 0.00 H new ATOM 0 H3' DT A 5 4.353 6.237 3.101 1.00 0.00 H new ATOM 0 H2' DT A 5 3.914 4.176 4.239 1.00 0.00 H new ATOM 0 H2'' DT A 5 2.420 4.990 4.657 1.00 0.00 H new ATOM 0 H1' DT A 5 1.165 3.817 3.093 1.00 0.00 H new ATOM 0 H3 DT A 5 1.081 -0.725 3.169 1.00 0.00 H new ATOM 0 H71 DT A 5 5.573 -1.049 3.969 1.00 0.00 H new ATOM 0 H72 DT A 5 6.069 -0.219 2.475 1.00 0.00 H new ATOM 0 H73 DT A 5 6.172 0.625 4.039 1.00 0.00 H new ATOM 0 H6 DT A 5 4.662 2.461 3.175 1.00 0.00 H new ATOM 159 P DC A 6 2.196 7.993 4.114 1.00 0.00 P ATOM 160 OP1 DC A 6 1.550 9.231 3.606 1.00 0.00 O ATOM 161 OP2 DC A 6 3.425 8.219 4.901 1.00 0.00 O ATOM 162 O5' DC A 6 1.173 7.202 5.033 1.00 0.00 O ATOM 163 C5' DC A 6 -0.124 6.708 4.575 1.00 0.00 C ATOM 164 C4' DC A 6 -0.808 5.649 5.453 1.00 0.00 C ATOM 165 O4' DC A 6 -0.097 4.381 5.374 1.00 0.00 O ATOM 166 C3' DC A 6 -0.850 5.998 6.956 1.00 0.00 C ATOM 167 O3' DC A 6 -2.090 6.703 7.261 1.00 0.00 O ATOM 168 C2' DC A 6 -0.696 4.578 7.630 1.00 0.00 C ATOM 169 C1' DC A 6 -0.476 3.560 6.466 1.00 0.00 C ATOM 170 N1 DC A 6 0.661 2.626 6.722 1.00 0.00 N ATOM 171 C2 DC A 6 0.434 1.215 6.712 1.00 0.00 C ATOM 172 O2 DC A 6 -0.694 0.706 6.784 1.00 0.00 O ATOM 173 N3 DC A 6 1.504 0.365 6.696 1.00 0.00 N ATOM 174 C4 DC A 6 2.746 0.850 6.746 1.00 0.00 C ATOM 175 N4 DC A 6 3.745 -0.041 6.745 1.00 0.00 N ATOM 176 C5 DC A 6 3.008 2.257 6.782 1.00 0.00 C ATOM 177 C6 DC A 6 1.961 3.090 6.816 1.00 0.00 C ATOM 0 H5' DC A 6 0.004 6.291 3.576 1.00 0.00 H new ATOM 0 H5'' DC A 6 -0.798 7.559 4.481 1.00 0.00 H new ATOM 0 H4' DC A 6 -1.825 5.599 5.063 1.00 0.00 H new ATOM 0 H3' DC A 6 -0.079 6.680 7.315 1.00 0.00 H new ATOM 0 H2' DC A 6 0.146 4.565 8.322 1.00 0.00 H new ATOM 0 H2'' DC A 6 -1.585 4.323 8.206 1.00 0.00 H new ATOM 0 H1' DC A 6 -1.368 2.951 6.319 1.00 0.00 H new ATOM 0 H41 DC A 6 4.713 0.278 6.782 1.00 0.00 H new ATOM 0 H42 DC A 6 3.538 -1.039 6.707 1.00 0.00 H new ATOM 0 H5 DC A 6 4.020 2.635 6.782 1.00 0.00 H new ATOM 0 H6 DC A 6 2.135 4.151 6.919 1.00 0.00 H new ATOM 189 P DC A 7 -3.219 6.734 8.386 1.00 0.00 P ATOM 190 OP1 DC A 7 -4.048 7.956 8.264 1.00 0.00 O ATOM 191 OP2 DC A 7 -2.563 6.578 9.713 1.00 0.00 O ATOM 192 O5' DC A 7 -4.116 5.450 8.047 1.00 0.00 O ATOM 193 C5' DC A 7 -4.579 4.503 9.043 1.00 0.00 C ATOM 194 C4' DC A 7 -5.102 3.101 8.554 1.00 0.00 C ATOM 195 O4' DC A 7 -3.943 2.206 8.439 1.00 0.00 O ATOM 196 C3' DC A 7 -5.860 2.526 9.813 1.00 0.00 C ATOM 197 O3' DC A 7 -6.953 1.602 9.498 1.00 0.00 O ATOM 198 C2' DC A 7 -4.716 1.886 10.671 1.00 0.00 C ATOM 199 C1' DC A 7 -3.902 1.282 9.532 1.00 0.00 C ATOM 200 N1 DC A 7 -2.494 1.038 9.927 1.00 0.00 N ATOM 201 C2 DC A 7 -2.067 -0.313 10.076 1.00 0.00 C ATOM 202 O2 DC A 7 -2.878 -1.252 10.206 1.00 0.00 O ATOM 203 N3 DC A 7 -0.726 -0.585 10.147 1.00 0.00 N ATOM 204 C4 DC A 7 0.155 0.427 10.197 1.00 0.00 C ATOM 205 N4 DC A 7 1.453 0.102 10.197 1.00 0.00 N ATOM 206 C5 DC A 7 -0.265 1.802 10.230 1.00 0.00 C ATOM 207 C6 DC A 7 -1.576 2.066 10.082 1.00 0.00 C ATOM 0 H5' DC A 7 -5.381 4.979 9.607 1.00 0.00 H new ATOM 0 H5'' DC A 7 -3.760 4.327 9.741 1.00 0.00 H new ATOM 0 H4' DC A 7 -5.676 3.175 7.631 1.00 0.00 H new ATOM 0 H3' DC A 7 -6.398 3.307 10.351 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.157 2.622 11.249 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.081 1.138 11.375 1.00 0.00 H new ATOM 0 H1' DC A 7 -4.328 0.317 9.257 1.00 0.00 H new ATOM 0 H41 DC A 7 2.162 0.834 10.234 1.00 0.00 H new ATOM 0 H42 DC A 7 1.733 -0.878 10.160 1.00 0.00 H new ATOM 0 H5 DC A 7 0.451 2.599 10.369 1.00 0.00 H new ATOM 0 H6 DC A 7 -1.918 3.091 10.084 1.00 0.00 H new ATOM 219 P DG A 8 -7.574 0.199 9.968 1.00 0.00 P ATOM 220 OP1 DG A 8 -6.528 -0.829 10.151 1.00 0.00 O ATOM 221 OP2 DG A 8 -8.683 -0.168 9.051 1.00 0.00 O ATOM 222 O5' DG A 8 -8.251 0.553 11.389 1.00 0.00 O ATOM 223 C5' DG A 8 -7.782 0.787 12.746 1.00 0.00 C ATOM 224 C4' DG A 8 -7.208 -0.490 13.419 1.00 0.00 C ATOM 225 O4' DG A 8 -5.806 -0.660 13.022 1.00 0.00 O ATOM 226 C3' DG A 8 -7.185 -0.395 14.953 1.00 0.00 C ATOM 227 O3' DG A 8 -8.288 -1.097 15.534 1.00 0.00 O ATOM 228 C2' DG A 8 -5.860 -1.054 15.368 1.00 0.00 C ATOM 229 C1' DG A 8 -5.024 -1.189 14.083 1.00 0.00 C ATOM 230 N9 DG A 8 -3.682 -0.538 14.028 1.00 0.00 N ATOM 231 C8 DG A 8 -3.363 0.781 14.203 1.00 0.00 C ATOM 232 N7 DG A 8 -2.058 1.034 14.175 1.00 0.00 N ATOM 233 C5 DG A 8 -1.475 -0.197 13.919 1.00 0.00 C ATOM 234 C6 DG A 8 -0.108 -0.552 13.774 1.00 0.00 C ATOM 235 O6 DG A 8 0.861 0.199 13.916 1.00 0.00 O ATOM 236 N1 DG A 8 0.066 -1.911 13.532 1.00 0.00 N ATOM 237 C2 DG A 8 -0.928 -2.836 13.441 1.00 0.00 C ATOM 238 N2 DG A 8 -0.459 -4.066 13.267 1.00 0.00 N ATOM 239 N3 DG A 8 -2.220 -2.502 13.543 1.00 0.00 N ATOM 240 C4 DG A 8 -2.446 -1.188 13.804 1.00 0.00 C ATOM 0 H5' DG A 8 -8.606 1.169 13.348 1.00 0.00 H new ATOM 0 H5'' DG A 8 -7.013 1.560 12.731 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.851 -1.312 13.104 1.00 0.00 H new ATOM 0 H3' DG A 8 -7.265 0.638 15.292 1.00 0.00 H new ATOM 0 H2' DG A 8 -5.339 -0.447 16.109 1.00 0.00 H new ATOM 0 H2'' DG A 8 -6.036 -2.029 15.822 1.00 0.00 H new ATOM 0 HO3' DG A 8 -8.247 -1.021 16.510 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.793 -2.253 14.022 1.00 0.00 H new ATOM 0 H8 DG A 8 -4.107 1.550 14.351 1.00 0.00 H new ATOM 0 H1 DG A 8 1.023 -2.243 13.412 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.105 -4.851 13.184 1.00 0.00 H new ATOM 0 H22 DG A 8 0.547 -4.226 13.216 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 11 8.854 -6.645 14.019 1.00 0.00 O ATOM 255 C5' DC B 11 8.038 -6.935 12.877 1.00 0.00 C ATOM 256 C4' DC B 11 6.569 -7.186 13.244 1.00 0.00 C ATOM 257 O4' DC B 11 5.948 -5.938 13.694 1.00 0.00 O ATOM 258 C3' DC B 11 5.708 -7.700 12.069 1.00 0.00 C ATOM 259 O3' DC B 11 5.062 -8.945 12.421 1.00 0.00 O ATOM 260 C2' DC B 11 4.649 -6.602 11.854 1.00 0.00 C ATOM 261 C1' DC B 11 4.606 -5.851 13.225 1.00 0.00 C ATOM 262 N1 DC B 11 4.264 -4.403 13.075 1.00 0.00 N ATOM 263 C2 DC B 11 3.116 -3.835 13.712 1.00 0.00 C ATOM 264 O2 DC B 11 2.214 -4.522 14.218 1.00 0.00 O ATOM 265 N3 DC B 11 2.949 -2.480 13.683 1.00 0.00 N ATOM 266 C4 DC B 11 3.799 -1.702 12.998 1.00 0.00 C ATOM 267 N4 DC B 11 3.630 -0.372 13.009 1.00 0.00 N ATOM 268 C5 DC B 11 4.891 -2.263 12.263 1.00 0.00 C ATOM 269 C6 DC B 11 5.097 -3.584 12.366 1.00 0.00 C ATOM 0 H5' DC B 11 8.435 -7.812 12.366 1.00 0.00 H new ATOM 0 H5'' DC B 11 8.095 -6.103 12.175 1.00 0.00 H new ATOM 0 H4' DC B 11 6.596 -7.951 14.020 1.00 0.00 H new ATOM 0 H3' DC B 11 6.304 -7.891 11.176 1.00 0.00 H new ATOM 0 H2' DC B 11 4.927 -5.933 11.040 1.00 0.00 H new ATOM 0 H2'' DC B 11 3.678 -7.027 11.600 1.00 0.00 H new ATOM 0 HO5' DC B 11 9.779 -6.495 13.731 1.00 0.00 H new ATOM 0 H1' DC B 11 3.853 -6.285 13.883 1.00 0.00 H new ATOM 0 H41 DC B 11 4.272 0.228 12.491 1.00 0.00 H new ATOM 0 H42 DC B 11 2.860 0.040 13.536 1.00 0.00 H new ATOM 0 H5 DC B 11 5.527 -1.644 11.647 1.00 0.00 H new ATOM 0 H6 DC B 11 5.953 -4.017 11.870 1.00 0.00 H new ATOM 282 P DG B 12 5.097 -10.362 11.692 1.00 0.00 P ATOM 283 OP1 DG B 12 5.253 -11.414 12.725 1.00 0.00 O ATOM 284 OP2 DG B 12 6.101 -10.385 10.604 1.00 0.00 O ATOM 285 O5' DG B 12 3.670 -10.502 10.989 1.00 0.00 O ATOM 286 C5' DG B 12 2.335 -10.858 11.439 1.00 0.00 C ATOM 287 C4' DG B 12 1.182 -10.274 10.570 1.00 0.00 C ATOM 288 O4' DG B 12 1.249 -8.819 10.521 1.00 0.00 O ATOM 289 C3' DG B 12 1.139 -10.763 9.116 1.00 0.00 C ATOM 290 O3' DG B 12 -0.138 -11.323 8.666 1.00 0.00 O ATOM 291 C2' DG B 12 1.495 -9.497 8.320 1.00 0.00 C ATOM 292 C1' DG B 12 0.930 -8.405 9.204 1.00 0.00 C ATOM 293 N9 DG B 12 1.565 -7.091 9.033 1.00 0.00 N ATOM 294 C8 DG B 12 2.893 -6.877 8.947 1.00 0.00 C ATOM 295 N7 DG B 12 3.252 -5.602 9.036 1.00 0.00 N ATOM 296 C5 DG B 12 2.045 -4.934 9.220 1.00 0.00 C ATOM 297 C6 DG B 12 1.769 -3.553 9.408 1.00 0.00 C ATOM 298 O6 DG B 12 2.596 -2.635 9.476 1.00 0.00 O ATOM 299 N1 DG B 12 0.401 -3.304 9.541 1.00 0.00 N ATOM 300 C2 DG B 12 -0.582 -4.257 9.510 1.00 0.00 C ATOM 301 N2 DG B 12 -1.792 -3.764 9.641 1.00 0.00 N ATOM 302 N3 DG B 12 -0.328 -5.551 9.366 1.00 0.00 N ATOM 303 C4 DG B 12 0.986 -5.836 9.214 1.00 0.00 C ATOM 0 H5' DG B 12 2.208 -10.515 12.466 1.00 0.00 H new ATOM 0 H5'' DG B 12 2.248 -11.944 11.453 1.00 0.00 H new ATOM 0 H4' DG B 12 0.284 -10.635 11.071 1.00 0.00 H new ATOM 0 H3' DG B 12 1.817 -11.605 8.980 1.00 0.00 H new ATOM 0 H2' DG B 12 2.571 -9.392 8.178 1.00 0.00 H new ATOM 0 H2'' DG B 12 1.041 -9.496 7.329 1.00 0.00 H new ATOM 0 H1' DG B 12 -0.127 -8.283 8.969 1.00 0.00 H new ATOM 0 H8 DG B 12 3.607 -7.677 8.816 1.00 0.00 H new ATOM 0 H1 DG B 12 0.111 -2.335 9.672 1.00 0.00 H new ATOM 0 H21 DG B 12 -2.600 -4.386 9.632 1.00 0.00 H new ATOM 0 H22 DG B 12 -1.924 -2.759 9.752 1.00 0.00 H new ATOM 315 P DG B 13 -1.726 -11.105 8.721 1.00 0.00 P ATOM 316 OP1 DG B 13 -2.134 -10.642 10.070 1.00 0.00 O ATOM 317 OP2 DG B 13 -2.357 -12.345 8.212 1.00 0.00 O ATOM 318 O5' DG B 13 -1.948 -9.946 7.650 1.00 0.00 O ATOM 319 C5' DG B 13 -3.091 -9.140 7.269 1.00 0.00 C ATOM 320 C4' DG B 13 -2.849 -8.236 6.019 1.00 0.00 C ATOM 321 O4' DG B 13 -1.787 -7.277 6.285 1.00 0.00 O ATOM 322 C3' DG B 13 -2.415 -8.974 4.737 1.00 0.00 C ATOM 323 O3' DG B 13 -3.240 -8.661 3.585 1.00 0.00 O ATOM 324 C2' DG B 13 -1.017 -8.414 4.448 1.00 0.00 C ATOM 325 C1' DG B 13 -1.110 -7.038 5.062 1.00 0.00 C ATOM 326 N9 DG B 13 0.142 -6.296 5.343 1.00 0.00 N ATOM 327 C8 DG B 13 1.428 -6.673 5.147 1.00 0.00 C ATOM 328 N7 DG B 13 2.329 -5.702 5.319 1.00 0.00 N ATOM 329 C5 DG B 13 1.542 -4.597 5.661 1.00 0.00 C ATOM 330 C6 DG B 13 1.896 -3.255 5.971 1.00 0.00 C ATOM 331 O6 DG B 13 3.042 -2.788 6.025 1.00 0.00 O ATOM 332 N1 DG B 13 0.780 -2.461 6.249 1.00 0.00 N ATOM 333 C2 DG B 13 -0.523 -2.898 6.242 1.00 0.00 C ATOM 334 N2 DG B 13 -1.436 -2.003 6.565 1.00 0.00 N ATOM 335 N3 DG B 13 -0.857 -4.142 5.962 1.00 0.00 N ATOM 336 C4 DG B 13 0.193 -4.946 5.682 1.00 0.00 C ATOM 0 H5' DG B 13 -3.373 -8.508 8.111 1.00 0.00 H new ATOM 0 H5'' DG B 13 -3.936 -9.799 7.069 1.00 0.00 H new ATOM 0 H4' DG B 13 -3.825 -7.782 5.846 1.00 0.00 H new ATOM 0 H3' DG B 13 -2.478 -10.051 4.890 1.00 0.00 H new ATOM 0 H2' DG B 13 -0.232 -9.015 4.906 1.00 0.00 H new ATOM 0 H2'' DG B 13 -0.805 -8.373 3.380 1.00 0.00 H new ATOM 0 H1' DG B 13 -1.593 -6.385 4.335 1.00 0.00 H new ATOM 0 H8 DG B 13 1.704 -7.681 4.873 1.00 0.00 H new ATOM 0 H1 DG B 13 0.946 -1.480 6.475 1.00 0.00 H new ATOM 0 H21 DG B 13 -2.422 -2.263 6.579 1.00 0.00 H new ATOM 0 H22 DG B 13 -1.156 -1.051 6.801 1.00 0.00 H new ATOM 348 P DA B 14 -4.562 -9.328 3.015 1.00 0.00 P ATOM 349 OP1 DA B 14 -4.775 -10.654 3.633 1.00 0.00 O ATOM 350 OP2 DA B 14 -4.504 -9.309 1.533 1.00 0.00 O ATOM 351 O5' DA B 14 -5.759 -8.370 3.467 1.00 0.00 O ATOM 352 C5' DA B 14 -6.152 -7.454 4.527 1.00 0.00 C ATOM 353 C4' DA B 14 -6.127 -6.003 4.143 1.00 0.00 C ATOM 354 O4' DA B 14 -4.758 -5.555 3.873 1.00 0.00 O ATOM 355 C3' DA B 14 -6.930 -5.670 2.866 1.00 0.00 C ATOM 356 O3' DA B 14 -7.920 -4.644 3.145 1.00 0.00 O ATOM 357 C2' DA B 14 -5.835 -5.199 1.840 1.00 0.00 C ATOM 358 C1' DA B 14 -4.787 -4.612 2.815 1.00 0.00 C ATOM 359 N9 DA B 14 -3.377 -4.528 2.323 1.00 0.00 N ATOM 360 C8 DA B 14 -2.587 -5.560 1.885 1.00 0.00 C ATOM 361 N7 DA B 14 -1.305 -5.281 1.780 1.00 0.00 N ATOM 362 C5 DA B 14 -1.235 -3.961 2.201 1.00 0.00 C ATOM 363 C6 DA B 14 -0.127 -3.096 2.358 1.00 0.00 C ATOM 364 N6 DA B 14 1.142 -3.505 2.173 1.00 0.00 N ATOM 365 N1 DA B 14 -0.390 -1.826 2.731 1.00 0.00 N ATOM 366 C2 DA B 14 -1.645 -1.440 2.963 1.00 0.00 C ATOM 367 N3 DA B 14 -2.750 -2.189 2.937 1.00 0.00 N ATOM 368 C4 DA B 14 -2.479 -3.456 2.525 1.00 0.00 C ATOM 0 H5' DA B 14 -5.490 -7.602 5.380 1.00 0.00 H new ATOM 0 H5'' DA B 14 -7.159 -7.711 4.856 1.00 0.00 H new ATOM 0 H4' DA B 14 -6.577 -5.499 4.998 1.00 0.00 H new ATOM 0 H3' DA B 14 -7.500 -6.513 2.475 1.00 0.00 H new ATOM 0 H2' DA B 14 -5.437 -6.023 1.248 1.00 0.00 H new ATOM 0 H2'' DA B 14 -6.214 -4.456 1.138 1.00 0.00 H new ATOM 0 H1' DA B 14 -5.083 -3.587 3.036 1.00 0.00 H new ATOM 0 H8 DA B 14 -2.989 -6.533 1.643 1.00 0.00 H new ATOM 0 H61 DA B 14 1.913 -2.848 2.297 1.00 0.00 H new ATOM 0 H62 DA B 14 1.333 -4.472 1.909 1.00 0.00 H new ATOM 0 H2 DA B 14 -1.785 -0.396 3.201 1.00 0.00 H new ATOM 380 P DT B 15 -9.095 -4.023 2.254 1.00 0.00 P ATOM 381 OP1 DT B 15 -10.204 -3.615 3.150 1.00 0.00 O ATOM 382 OP2 DT B 15 -9.412 -4.977 1.165 1.00 0.00 O ATOM 383 O5' DT B 15 -8.428 -2.696 1.662 1.00 0.00 O ATOM 384 C5' DT B 15 -7.910 -1.528 2.378 1.00 0.00 C ATOM 385 C4' DT B 15 -6.949 -0.635 1.562 1.00 0.00 C ATOM 386 O4' DT B 15 -5.717 -1.352 1.296 1.00 0.00 O ATOM 387 C3' DT B 15 -7.418 -0.233 0.164 1.00 0.00 C ATOM 388 O3' DT B 15 -8.290 0.932 0.168 1.00 0.00 O ATOM 389 C2' DT B 15 -6.057 0.044 -0.567 1.00 0.00 C ATOM 390 C1' DT B 15 -4.984 -0.579 0.363 1.00 0.00 C ATOM 391 N1 DT B 15 -4.002 -1.486 -0.308 1.00 0.00 N ATOM 392 C2 DT B 15 -2.637 -1.103 -0.326 1.00 0.00 C ATOM 393 O2 DT B 15 -2.170 -0.036 0.063 1.00 0.00 O ATOM 394 N3 DT B 15 -1.787 -2.049 -0.832 1.00 0.00 N ATOM 395 C4 DT B 15 -2.092 -3.296 -1.322 1.00 0.00 C ATOM 396 O4 DT B 15 -1.174 -3.989 -1.760 1.00 0.00 O ATOM 397 C5 DT B 15 -3.505 -3.644 -1.279 1.00 0.00 C ATOM 398 C7 DT B 15 -3.977 -4.964 -1.796 1.00 0.00 C ATOM 399 C6 DT B 15 -4.370 -2.744 -0.777 1.00 0.00 C ATOM 0 H5' DT B 15 -7.391 -1.870 3.274 1.00 0.00 H new ATOM 0 H5'' DT B 15 -8.752 -0.921 2.710 1.00 0.00 H new ATOM 0 H4' DT B 15 -6.862 0.253 2.188 1.00 0.00 H new ATOM 0 H3' DT B 15 -8.031 -0.995 -0.318 1.00 0.00 H new ATOM 0 H2' DT B 15 -6.038 -0.412 -1.557 1.00 0.00 H new ATOM 0 H2'' DT B 15 -5.891 1.112 -0.705 1.00 0.00 H new ATOM 0 H1' DT B 15 -4.387 0.231 0.783 1.00 0.00 H new ATOM 0 H3 DT B 15 -0.799 -1.795 -0.847 1.00 0.00 H new ATOM 0 H71 DT B 15 -4.864 -5.275 -1.244 1.00 0.00 H new ATOM 0 H72 DT B 15 -4.222 -4.874 -2.854 1.00 0.00 H new ATOM 0 H73 DT B 15 -3.190 -5.707 -1.668 1.00 0.00 H new ATOM 0 H6 DT B 15 -5.415 -3.014 -0.735 1.00 0.00 H new ATOM 412 P DC B 16 -9.210 1.426 -1.043 1.00 0.00 P ATOM 413 OP1 DC B 16 -10.195 2.435 -0.584 1.00 0.00 O ATOM 414 OP2 DC B 16 -9.750 0.238 -1.754 1.00 0.00 O ATOM 415 O5' DC B 16 -8.191 2.145 -2.057 1.00 0.00 O ATOM 416 C5' DC B 16 -7.397 3.351 -1.849 1.00 0.00 C ATOM 417 C4' DC B 16 -6.204 3.569 -2.834 1.00 0.00 C ATOM 418 O4' DC B 16 -5.112 2.659 -2.561 1.00 0.00 O ATOM 419 C3' DC B 16 -6.469 3.360 -4.298 1.00 0.00 C ATOM 420 O3' DC B 16 -7.275 4.402 -4.907 1.00 0.00 O ATOM 421 C2' DC B 16 -5.016 3.351 -4.857 1.00 0.00 C ATOM 422 C1' DC B 16 -4.243 2.626 -3.701 1.00 0.00 C ATOM 423 N1 DC B 16 -3.935 1.174 -3.939 1.00 0.00 N ATOM 424 C2 DC B 16 -2.568 0.724 -3.977 1.00 0.00 C ATOM 425 O2 DC B 16 -1.591 1.489 -3.917 1.00 0.00 O ATOM 426 N3 DC B 16 -2.307 -0.609 -4.129 1.00 0.00 N ATOM 427 C4 DC B 16 -3.308 -1.470 -4.305 1.00 0.00 C ATOM 428 N4 DC B 16 -2.980 -2.749 -4.481 1.00 0.00 N ATOM 429 C5 DC B 16 -4.681 -1.060 -4.306 1.00 0.00 C ATOM 430 C6 DC B 16 -4.946 0.239 -4.092 1.00 0.00 C ATOM 0 H5' DC B 16 -7.003 3.331 -0.833 1.00 0.00 H new ATOM 0 H5'' DC B 16 -8.060 4.214 -1.917 1.00 0.00 H new ATOM 0 H4' DC B 16 -5.989 4.622 -2.654 1.00 0.00 H new ATOM 0 H3' DC B 16 -7.053 2.463 -4.504 1.00 0.00 H new ATOM 0 H2' DC B 16 -4.943 2.811 -5.801 1.00 0.00 H new ATOM 0 H2'' DC B 16 -4.638 4.358 -5.035 1.00 0.00 H new ATOM 0 H1' DC B 16 -3.288 3.140 -3.594 1.00 0.00 H new ATOM 0 H41 DC B 16 -3.710 -3.448 -4.620 1.00 0.00 H new ATOM 0 H42 DC B 16 -1.999 -3.029 -4.477 1.00 0.00 H new ATOM 0 H5 DC B 16 -5.476 -1.772 -4.473 1.00 0.00 H new ATOM 0 H6 DC B 16 -5.975 0.564 -4.038 1.00 0.00 H new ATOM 442 P DC B 17 -8.756 4.313 -5.503 1.00 0.00 P ATOM 443 OP1 DC B 17 -9.734 4.720 -4.462 1.00 0.00 O ATOM 444 OP2 DC B 17 -8.991 2.998 -6.144 1.00 0.00 O ATOM 445 O5' DC B 17 -8.719 5.483 -6.602 1.00 0.00 O ATOM 446 C5' DC B 17 -8.714 5.531 -8.060 1.00 0.00 C ATOM 447 C4' DC B 17 -7.305 5.472 -8.689 1.00 0.00 C ATOM 448 O4' DC B 17 -6.778 4.117 -8.655 1.00 0.00 O ATOM 449 C3' DC B 17 -7.301 5.789 -10.190 1.00 0.00 C ATOM 450 O3' DC B 17 -6.985 7.179 -10.468 1.00 0.00 O ATOM 451 C2' DC B 17 -6.187 4.903 -10.789 1.00 0.00 C ATOM 452 C1' DC B 17 -5.727 4.024 -9.611 1.00 0.00 C ATOM 453 N1 DC B 17 -5.575 2.598 -10.038 1.00 0.00 N ATOM 454 C2 DC B 17 -4.262 2.055 -10.173 1.00 0.00 C ATOM 455 O2 DC B 17 -3.243 2.724 -9.954 1.00 0.00 O ATOM 456 N3 DC B 17 -4.101 0.765 -10.599 1.00 0.00 N ATOM 457 C4 DC B 17 -5.171 0.013 -10.872 1.00 0.00 C ATOM 458 N4 DC B 17 -4.970 -1.268 -11.233 1.00 0.00 N ATOM 459 C5 DC B 17 -6.502 0.534 -10.780 1.00 0.00 C ATOM 460 C6 DC B 17 -6.661 1.829 -10.430 1.00 0.00 C ATOM 0 H5' DC B 17 -9.207 6.448 -8.384 1.00 0.00 H new ATOM 0 H5'' DC B 17 -9.306 4.699 -8.442 1.00 0.00 H new ATOM 0 H4' DC B 17 -6.729 6.195 -8.112 1.00 0.00 H new ATOM 0 H3' DC B 17 -8.289 5.603 -10.611 1.00 0.00 H new ATOM 0 H2' DC B 17 -6.561 4.298 -11.615 1.00 0.00 H new ATOM 0 H2'' DC B 17 -5.367 5.505 -11.180 1.00 0.00 H new ATOM 0 H1' DC B 17 -4.763 4.351 -9.221 1.00 0.00 H new ATOM 0 H41 DC B 17 -5.766 -1.868 -11.448 1.00 0.00 H new ATOM 0 H42 DC B 17 -4.021 -1.638 -11.292 1.00 0.00 H new ATOM 0 H5 DC B 17 -7.357 -0.093 -10.985 1.00 0.00 H new ATOM 0 H6 DC B 17 -7.646 2.271 -10.456 1.00 0.00 H new ATOM 472 P DG B 18 -7.827 8.500 -10.697 1.00 0.00 P ATOM 473 OP1 DG B 18 -8.145 9.120 -9.389 1.00 0.00 O ATOM 474 OP2 DG B 18 -8.993 8.172 -11.555 1.00 0.00 O ATOM 475 O5' DG B 18 -6.831 9.466 -11.533 1.00 0.00 O ATOM 476 C5' DG B 18 -5.677 10.240 -11.063 1.00 0.00 C ATOM 477 C4' DG B 18 -4.315 9.877 -11.718 1.00 0.00 C ATOM 478 O4' DG B 18 -4.123 8.433 -11.695 1.00 0.00 O ATOM 479 C3' DG B 18 -4.166 10.267 -13.197 1.00 0.00 C ATOM 480 O3' DG B 18 -3.399 11.461 -13.380 1.00 0.00 O ATOM 481 C2' DG B 18 -3.411 9.103 -13.838 1.00 0.00 C ATOM 482 C1' DG B 18 -3.264 8.041 -12.749 1.00 0.00 C ATOM 483 N9 DG B 18 -3.707 6.702 -13.169 1.00 0.00 N ATOM 484 C8 DG B 18 -4.965 6.377 -13.537 1.00 0.00 C ATOM 485 N7 DG B 18 -5.134 5.107 -13.882 1.00 0.00 N ATOM 486 C5 DG B 18 -3.882 4.551 -13.672 1.00 0.00 C ATOM 487 C6 DG B 18 -3.452 3.219 -13.844 1.00 0.00 C ATOM 488 O6 DG B 18 -4.175 2.293 -14.236 1.00 0.00 O ATOM 489 N1 DG B 18 -2.093 3.062 -13.560 1.00 0.00 N ATOM 490 C2 DG B 18 -1.252 4.060 -13.142 1.00 0.00 C ATOM 491 N2 DG B 18 -0.013 3.633 -12.974 1.00 0.00 N ATOM 492 N3 DG B 18 -1.660 5.322 -12.949 1.00 0.00 N ATOM 493 C4 DG B 18 -2.973 5.514 -13.233 1.00 0.00 C ATOM 0 H5' DG B 18 -5.588 10.108 -9.985 1.00 0.00 H new ATOM 0 H5'' DG B 18 -5.875 11.297 -11.240 1.00 0.00 H new ATOM 0 H4' DG B 18 -3.590 10.441 -11.130 1.00 0.00 H new ATOM 0 H3' DG B 18 -5.147 10.457 -13.633 1.00 0.00 H new ATOM 0 H2' DG B 18 -3.957 8.709 -14.695 1.00 0.00 H new ATOM 0 H2'' DG B 18 -2.435 9.425 -14.202 1.00 0.00 H new ATOM 0 HO3' DG B 18 -3.333 11.664 -14.336 1.00 0.00 H new ATOM 0 H1' DG B 18 -2.209 7.976 -12.483 1.00 0.00 H new ATOM 0 H8 DG B 18 -5.771 7.095 -13.550 1.00 0.00 H new ATOM 0 H1 DG B 18 -1.695 2.130 -13.673 1.00 0.00 H new ATOM 0 H21 DG B 18 0.712 4.280 -12.664 1.00 0.00 H new ATOM 0 H22 DG B 18 0.219 2.656 -13.154 1.00 0.00 H new TER 506 DG B 18 HETATM 507 C1 DAG B 21 -3.374 7.086 2.639 1.00 0.00 C HETATM 508 C2 DAG B 21 -4.153 7.822 3.738 1.00 0.00 C HETATM 509 C3 DAG B 21 -5.024 6.826 4.504 1.00 0.00 C HETATM 510 C4 DAG B 21 -5.779 5.858 3.512 1.00 0.00 C HETATM 511 C5 DAG B 21 -4.855 5.338 2.364 1.00 0.00 C HETATM 512 C6 DAG B 21 -5.574 4.570 1.236 1.00 0.00 C HETATM 513 O1 DAG B 21 -2.684 7.893 1.752 1.00 0.00 O HETATM 514 O2 DAG B 21 -3.186 8.448 4.568 1.00 0.00 O HETATM 515 O3 DAG B 21 -5.903 7.234 5.572 1.00 0.00 O HETATM 516 N4 DAG B 21 -6.426 4.849 4.320 1.00 0.00 N HETATM 517 O5 DAG B 21 -4.310 6.479 1.790 1.00 0.00 O HETATM 0 HN42 DAG B 21 -6.976 4.114 3.875 1.00 0.00 H new HETATM 0 HO3 DAG B 21 -5.373 7.448 6.368 1.00 0.00 H new HETATM 0 H63 DAG B 21 -6.072 3.694 1.652 1.00 0.00 H new HETATM 0 H62 DAG B 21 -6.313 5.220 0.767 1.00 0.00 H new HETATM 0 H61 DAG B 21 -4.845 4.252 0.490 1.00 0.00 H new HETATM 0 H5 DAG B 21 -4.145 4.637 2.802 1.00 0.00 H new HETATM 0 H4 DAG B 21 -6.554 6.378 2.948 1.00 0.00 H new HETATM 0 H3 DAG B 21 -4.243 6.342 5.090 1.00 0.00 H new HETATM 0 H2 DAG B 21 -4.829 8.576 3.334 1.00 0.00 H new HETATM 0 H1 DAG B 21 -2.682 6.442 3.182 1.00 0.00 H new HETATM 528 C1 TMR B 22 -5.466 2.758 4.569 1.00 0.00 C HETATM 529 C2 TMR B 22 -4.130 2.124 4.914 1.00 0.00 C HETATM 530 C3 TMR B 22 -4.280 0.624 4.943 1.00 0.00 C HETATM 531 C4 TMR B 22 -5.462 0.265 5.841 1.00 0.00 C HETATM 532 C5 TMR B 22 -6.736 0.975 5.336 1.00 0.00 C HETATM 533 C6 TMR B 22 -7.993 0.692 6.168 1.00 0.00 C HETATM 534 C7 TMR B 22 -5.344 -2.077 7.441 1.00 0.00 C HETATM 535 O1 TMR B 22 -5.289 4.105 4.855 1.00 0.00 O HETATM 536 O3 TMR B 22 -4.443 0.217 3.600 1.00 0.00 O HETATM 537 O5 TMR B 22 -6.487 2.345 5.444 1.00 0.00 O HETATM 538 S4 TMR B 22 -5.709 -1.531 5.773 1.00 0.00 S HETATM 0 HO3 TMR B 22 -3.777 -0.468 3.383 1.00 0.00 H new HETATM 0 H73 TMR B 22 -4.979 -3.104 7.416 1.00 0.00 H new HETATM 0 H72 TMR B 22 -4.581 -1.432 7.876 1.00 0.00 H new HETATM 0 H71 TMR B 22 -6.249 -2.028 8.046 1.00 0.00 H new HETATM 0 H63 TMR B 22 -8.202 -0.378 6.159 1.00 0.00 H new HETATM 0 H62 TMR B 22 -7.832 1.022 7.194 1.00 0.00 H new HETATM 0 H61 TMR B 22 -8.840 1.230 5.742 1.00 0.00 H new HETATM 0 H5 TMR B 22 -6.932 0.616 4.326 1.00 0.00 H new HETATM 0 H4 TMR B 22 -5.260 0.582 6.864 1.00 0.00 H new HETATM 0 H3 TMR B 22 -3.416 0.108 5.361 1.00 0.00 H new HETATM 0 H22 TMR B 22 -3.378 2.411 4.179 1.00 0.00 H new HETATM 0 H21 TMR B 22 -3.783 2.485 5.882 1.00 0.00 H new HETATM 0 H1 TMR B 22 -5.739 2.506 3.544 1.00 0.00 H new HETATM 552 C1 MAT A 23 -3.500 9.765 4.864 1.00 0.00 C HETATM 553 C2 MAT A 23 -2.674 10.324 6.007 1.00 0.00 C HETATM 554 C3 MAT A 23 -1.189 10.441 5.613 1.00 0.00 C HETATM 555 C4 MAT A 23 -1.111 11.307 4.344 1.00 0.00 C HETATM 556 C5 MAT A 23 -1.980 10.653 3.248 1.00 0.00 C HETATM 557 C6 MAT A 23 0.500 12.657 2.884 1.00 0.00 C HETATM 558 C7 MAT A 23 -0.621 13.682 2.595 1.00 0.00 C HETATM 559 C8 MAT A 23 0.908 11.941 1.593 1.00 0.00 C HETATM 560 C9 MAT A 23 -0.075 10.213 7.710 1.00 0.00 C HETATM 561 O3 MAT A 23 -0.491 11.079 6.663 1.00 0.00 O HETATM 562 N4 MAT A 23 0.266 11.655 3.940 1.00 0.00 N HETATM 563 O5 MAT A 23 -3.317 10.564 3.709 1.00 0.00 O HETATM 0 HN4 MAT A 23 1.059 11.200 4.393 1.00 0.00 H new HETATM 0 H93 MAT A 23 -0.948 9.736 8.156 1.00 0.00 H new HETATM 0 H92 MAT A 23 0.590 9.449 7.308 1.00 0.00 H new HETATM 0 H91 MAT A 23 0.452 10.789 8.471 1.00 0.00 H new HETATM 0 H83 MAT A 23 0.046 11.419 1.178 1.00 0.00 H new HETATM 0 H82 MAT A 23 1.271 12.672 0.871 1.00 0.00 H new HETATM 0 H81 MAT A 23 1.698 11.222 1.810 1.00 0.00 H new HETATM 0 H73 MAT A 23 -0.263 14.419 1.876 1.00 0.00 H new HETATM 0 H72 MAT A 23 -1.489 13.166 2.184 1.00 0.00 H new HETATM 0 H71 MAT A 23 -0.902 14.184 3.521 1.00 0.00 H new HETATM 0 H6 MAT A 23 1.296 13.282 3.289 1.00 0.00 H new HETATM 0 H52 MAT A 23 -1.936 11.242 2.332 1.00 0.00 H new HETATM 0 H51 MAT A 23 -1.598 9.661 3.007 1.00 0.00 H new HETATM 0 H4 MAT A 23 -1.529 12.292 4.552 1.00 0.00 H new HETATM 0 H3 MAT A 23 -0.751 9.460 5.431 1.00 0.00 H new HETATM 0 H22 MAT A 23 -3.057 11.304 6.291 1.00 0.00 H new HETATM 0 H21 MAT A 23 -2.772 9.679 6.880 1.00 0.00 H new HETATM 583 C1 DLF B 24 -0.637 6.272 -5.351 1.00 0.00 C HETATM 584 C2 DLF B 24 -0.176 4.916 -5.890 1.00 0.00 C HETATM 585 C3 DLF B 24 -1.421 4.044 -6.189 1.00 0.00 C HETATM 586 C4 DLF B 24 -2.484 4.810 -7.088 1.00 0.00 C HETATM 587 C5 DLF B 24 -2.784 6.223 -6.493 1.00 0.00 C HETATM 588 C6 DLF B 24 -3.592 7.139 -7.453 1.00 0.00 C HETATM 589 O1 DLF B 24 -1.282 6.000 -4.132 1.00 0.00 O HETATM 590 O3 DLF B 24 -0.867 2.906 -6.874 1.00 0.00 O HETATM 591 O4 DLF B 24 -2.020 4.933 -8.462 1.00 0.00 O HETATM 592 O5 DLF B 24 -1.556 6.897 -6.239 1.00 0.00 O HETATM 0 HO4 DLF B 24 -2.416 4.220 -9.006 1.00 0.00 H new HETATM 0 H63 DLF B 24 -3.030 7.286 -8.375 1.00 0.00 H new HETATM 0 H62 DLF B 24 -4.549 6.671 -7.682 1.00 0.00 H new HETATM 0 H61 DLF B 24 -3.765 8.104 -6.976 1.00 0.00 H new HETATM 0 H5 DLF B 24 -3.371 6.049 -5.591 1.00 0.00 H new HETATM 0 H4 DLF B 24 -3.403 4.224 -7.091 1.00 0.00 H new HETATM 0 H3 DLF B 24 -1.972 3.774 -5.288 1.00 0.00 H new HETATM 0 H22 DLF B 24 0.415 5.052 -6.796 1.00 0.00 H new HETATM 0 H21 DLF B 24 0.466 4.420 -5.162 1.00 0.00 H new HETATM 0 H1 DLF B 24 0.211 6.947 -5.236 1.00 0.00 H new HETATM 603 C1 DPA A 25 -1.658 1.865 -7.029 1.00 0.00 C HETATM 604 C2 DPA A 25 -1.034 0.551 -7.367 1.00 0.00 C HETATM 605 C3 DPA A 25 0.438 0.425 -7.387 1.00 0.00 C HETATM 606 C4 DPA A 25 1.045 -0.745 -7.705 1.00 0.00 C HETATM 607 C5 DPA A 25 0.215 -1.925 -8.043 1.00 0.00 C HETATM 608 C6 DPA A 25 -1.131 -1.805 -8.025 1.00 0.00 C HETATM 609 C7 DPA A 25 -1.785 -0.532 -7.676 1.00 0.00 C HETATM 610 C8 DPA A 25 -4.183 -1.368 -7.636 1.00 0.00 C HETATM 611 C9 DPA A 25 -5.611 -0.879 -7.628 1.00 0.00 C HETATM 612 C10 DPA A 25 -6.590 -1.803 -7.671 1.00 0.00 C HETATM 613 C11 DPA A 25 3.268 0.172 -7.716 1.00 0.00 C HETATM 614 C12 DPA A 25 0.132 -4.242 -8.665 1.00 0.00 C HETATM 615 C13 DPA A 25 -6.995 1.083 -7.205 1.00 0.00 C HETATM 616 N7 DPA A 25 -3.253 -0.411 -7.669 1.00 0.00 N HETATM 617 O1 DPA A 25 -2.832 2.026 -6.899 1.00 0.00 O HETATM 618 O4 DPA A 25 2.390 -0.937 -7.732 1.00 0.00 O HETATM 619 O5 DPA A 25 0.871 -3.074 -8.348 1.00 0.00 O HETATM 620 O8 DPA A 25 -3.941 -2.574 -7.607 1.00 0.00 O HETATM 621 O9 DPA A 25 -5.779 0.485 -7.593 1.00 0.00 O HETATM 0 H133 DPA A 25 -7.790 0.760 -7.877 1.00 0.00 H new HETATM 0 H132 DPA A 25 -7.238 0.784 -6.185 1.00 0.00 H new HETATM 0 H131 DPA A 25 -6.898 2.168 -7.252 1.00 0.00 H new HETATM 0 H123 DPA A 25 -0.500 -4.513 -7.820 1.00 0.00 H new HETATM 0 H122 DPA A 25 -0.492 -4.052 -9.538 1.00 0.00 H new HETATM 0 H121 DPA A 25 0.819 -5.060 -8.881 1.00 0.00 H new HETATM 0 H113 DPA A 25 3.077 0.800 -8.586 1.00 0.00 H new HETATM 0 H112 DPA A 25 3.106 0.752 -6.807 1.00 0.00 H new HETATM 0 H111 DPA A 25 4.299 -0.180 -7.742 1.00 0.00 H new HETATM 0 H102 DPA A 25 -7.634 -1.491 -7.667 1.00 0.00 H new HETATM 0 H101 DPA A 25 -6.338 -2.863 -7.710 1.00 0.00 H new HETATM 0 HN7 DPA A 25 -3.611 0.544 -7.693 1.00 0.00 H new HETATM 0 H6 DPA A 25 -1.746 -2.669 -8.274 1.00 0.00 H new HETATM 0 H3 DPA A 25 1.050 1.293 -7.140 1.00 0.00 H new HETATM 636 C1 MTC B 26 -1.441 7.468 1.210 1.00 0.00 C HETATM 637 C2 MTC B 26 -1.176 6.014 1.314 1.00 0.00 C HETATM 638 C3 MTC B 26 -1.218 4.827 1.216 1.00 0.00 C HETATM 639 C4 MTC B 26 -1.518 3.484 0.784 1.00 0.00 C HETATM 640 C5 MTC B 26 -2.164 3.322 -0.396 1.00 0.00 C HETATM 641 C6 MTC B 26 -2.511 4.462 -1.227 1.00 0.00 C HETATM 642 C7 MTC B 26 -2.673 5.510 -1.770 1.00 0.00 C HETATM 643 C8 MTC B 26 -2.635 6.899 -2.270 1.00 0.00 C HETATM 644 C9 MTC B 26 -1.439 7.112 -3.242 1.00 0.00 C HETATM 645 C10 MTC B 26 -0.125 7.465 -2.464 1.00 0.00 C HETATM 646 C11 MTC B 26 -0.150 7.828 -0.987 1.00 0.00 C HETATM 647 C12 MTC B 26 -1.301 7.704 -0.295 1.00 0.00 C HETATM 648 C13 MTC B 26 -2.550 7.832 -1.065 1.00 0.00 C HETATM 649 C14 MTC B 26 -3.557 8.865 -0.715 1.00 0.00 C HETATM 650 C15 MTC B 26 -3.293 9.966 0.280 1.00 0.00 C HETATM 651 C16 MTC B 26 -0.581 15.033 -1.897 1.00 0.00 C HETATM 652 C17 MTC B 26 1.572 9.515 -0.666 1.00 0.00 C HETATM 653 C18 MTC B 26 3.454 10.955 -0.616 1.00 0.00 C HETATM 654 O8 MTC B 26 -3.833 7.100 -2.959 1.00 0.00 O HETATM 655 O10 MTC B 26 0.929 7.597 -3.030 1.00 0.00 O HETATM 656 O71 MTC B 26 1.013 10.278 -1.392 1.00 0.00 O HETATM 657 O72 MTC B 26 2.694 9.846 -0.071 1.00 0.00 O HETATM 658 N11 MTC B 26 1.105 8.318 -0.360 1.00 0.00 N HETATM 659 S1 MTC B 26 -3.348 11.525 -0.648 1.00 0.00 S HETATM 660 S2 MTC B 26 -1.491 12.319 -0.723 1.00 0.00 S HETATM 661 S3 MTC B 26 -2.016 14.250 -1.090 1.00 0.00 S HETATM 0 H183 MTC B 26 3.735 10.732 -1.645 1.00 0.00 H new HETATM 0 H182 MTC B 26 2.845 11.859 -0.594 1.00 0.00 H new HETATM 0 H181 MTC B 26 4.353 11.108 -0.019 1.00 0.00 H new HETATM 0 H163 MTC B 26 -0.811 16.076 -2.117 1.00 0.00 H new HETATM 0 H162 MTC B 26 0.282 14.984 -1.233 1.00 0.00 H new HETATM 0 H161 MTC B 26 -0.354 14.508 -2.825 1.00 0.00 H new HETATM 0 H152 MTC B 26 -4.041 9.960 1.073 1.00 0.00 H new HETATM 0 H151 MTC B 26 -2.322 9.833 0.757 1.00 0.00 H new HETATM 0 H11A MTC B 26 -0.726 8.056 1.785 1.00 0.00 H new HETATM 0 HO8 MTC B 26 -3.858 8.014 -3.312 1.00 0.00 H new HETATM 0 H91 MTC B 26 -1.675 7.913 -3.942 1.00 0.00 H new HETATM 0 H5 MTC B 26 -2.428 2.318 -0.728 1.00 0.00 H new HETATM 0 H4 MTC B 26 -1.233 2.624 1.390 1.00 0.00 H new HETATM 0 H14 MTC B 26 -4.532 8.825 -1.200 1.00 0.00 H new HETATM 0 H11 MTC B 26 1.606 7.730 0.306 1.00 0.00 H new