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= -0.82 (180deg=-2.09!) 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 100:sc= 0 USER MOD Single : B 22 TMR C7 :methyl 145:sc= -0.0166 (180deg=-0.886) USER MOD Single : B 22 TMR O3 : rot 132:sc= 1.33 USER MOD Single : B 24 DLF O4 : rot 88:sc= 0.316 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 2.256 -4.151 -19.111 1.00 0.00 O ATOM 2 C5' DC A 1 1.200 -4.114 -18.144 1.00 0.00 C ATOM 3 C4' DC A 1 1.361 -2.918 -17.149 1.00 0.00 C ATOM 4 O4' DC A 1 0.068 -2.285 -16.855 1.00 0.00 O ATOM 5 C3' DC A 1 1.879 -3.354 -15.763 1.00 0.00 C ATOM 6 O3' DC A 1 3.322 -3.225 -15.634 1.00 0.00 O ATOM 7 C2' DC A 1 1.132 -2.470 -14.739 1.00 0.00 C ATOM 8 C1' DC A 1 0.134 -1.645 -15.561 1.00 0.00 C ATOM 9 N1 DC A 1 -1.232 -1.316 -14.991 1.00 0.00 N ATOM 10 C2 DC A 1 -1.607 0.032 -14.649 1.00 0.00 C ATOM 11 O2 DC A 1 -0.784 0.951 -14.512 1.00 0.00 O ATOM 12 N3 DC A 1 -2.936 0.343 -14.481 1.00 0.00 N ATOM 13 C4 DC A 1 -3.877 -0.604 -14.651 1.00 0.00 C ATOM 14 N4 DC A 1 -5.191 -0.290 -14.614 1.00 0.00 N ATOM 15 C5 DC A 1 -3.517 -1.956 -14.945 1.00 0.00 C ATOM 16 C6 DC A 1 -2.214 -2.234 -15.117 1.00 0.00 C ATOM 0 H5' DC A 1 1.186 -5.050 -17.586 1.00 0.00 H new ATOM 0 H5'' DC A 1 0.241 -4.033 -18.656 1.00 0.00 H new ATOM 0 H4' DC A 1 2.062 -2.250 -17.650 1.00 0.00 H new ATOM 0 H3' DC A 1 1.685 -4.414 -15.598 1.00 0.00 H new ATOM 0 H2' DC A 1 0.619 -3.079 -13.995 1.00 0.00 H new ATOM 0 H2'' DC A 1 1.824 -1.824 -14.199 1.00 0.00 H new ATOM 0 HO5' DC A 1 2.122 -4.912 -19.713 1.00 0.00 H new ATOM 0 H1' DC A 1 0.528 -0.629 -15.583 1.00 0.00 H new ATOM 0 H41 DC A 1 -5.893 -1.018 -14.744 1.00 0.00 H new ATOM 0 H42 DC A 1 -5.480 0.675 -14.456 1.00 0.00 H new ATOM 0 H5 DC A 1 -4.268 -2.728 -15.026 1.00 0.00 H new ATOM 0 H6 DC A 1 -1.937 -3.247 -15.370 1.00 0.00 H new ATOM 29 P DG A 2 4.465 -4.330 -15.546 1.00 0.00 P ATOM 30 OP1 DG A 2 5.199 -4.344 -16.836 1.00 0.00 O ATOM 31 OP2 DG A 2 3.892 -5.632 -15.126 1.00 0.00 O ATOM 32 O5' DG A 2 5.445 -3.791 -14.384 1.00 0.00 O ATOM 33 C5' DG A 2 5.470 -4.108 -12.950 1.00 0.00 C ATOM 34 C4' DG A 2 5.170 -2.906 -12.005 1.00 0.00 C ATOM 35 O4' DG A 2 3.848 -2.383 -12.289 1.00 0.00 O ATOM 36 C3' DG A 2 5.082 -3.366 -10.528 1.00 0.00 C ATOM 37 O3' DG A 2 6.289 -3.054 -9.781 1.00 0.00 O ATOM 38 C2' DG A 2 3.889 -2.586 -9.905 1.00 0.00 C ATOM 39 C1' DG A 2 3.296 -1.784 -11.118 1.00 0.00 C ATOM 40 N9 DG A 2 1.834 -1.978 -11.284 1.00 0.00 N ATOM 41 C8 DG A 2 1.212 -3.172 -11.488 1.00 0.00 C ATOM 42 N7 DG A 2 -0.111 -3.108 -11.603 1.00 0.00 N ATOM 43 C5 DG A 2 -0.378 -1.754 -11.460 1.00 0.00 C ATOM 44 C6 DG A 2 -1.607 -1.060 -11.463 1.00 0.00 C ATOM 45 O6 DG A 2 -2.724 -1.562 -11.657 1.00 0.00 O ATOM 46 N1 DG A 2 -1.463 0.297 -11.223 1.00 0.00 N ATOM 47 C2 DG A 2 -0.271 0.949 -11.054 1.00 0.00 C ATOM 48 N2 DG A 2 -0.422 2.249 -10.848 1.00 0.00 N ATOM 49 N3 DG A 2 0.910 0.315 -11.099 1.00 0.00 N ATOM 50 C4 DG A 2 0.798 -1.027 -11.263 1.00 0.00 C ATOM 0 H5' DG A 2 6.451 -4.512 -12.699 1.00 0.00 H new ATOM 0 H5'' DG A 2 4.742 -4.895 -12.754 1.00 0.00 H new ATOM 0 H4' DG A 2 5.967 -2.179 -12.160 1.00 0.00 H new ATOM 0 H3' DG A 2 4.953 -4.448 -10.487 1.00 0.00 H new ATOM 0 H2' DG A 2 3.151 -3.261 -9.472 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.218 -1.920 -9.107 1.00 0.00 H new ATOM 0 H1' DG A 2 3.515 -0.728 -10.958 1.00 0.00 H new ATOM 0 H8 DG A 2 1.754 -4.104 -11.552 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.315 0.856 -11.168 1.00 0.00 H new ATOM 0 H21 DG A 2 0.396 2.842 -10.708 1.00 0.00 H new ATOM 0 H22 DG A 2 -1.357 2.657 -10.829 1.00 0.00 H new ATOM 62 P DG A 3 7.565 -3.968 -9.450 1.00 0.00 P ATOM 63 OP1 DG A 3 8.621 -3.650 -10.442 1.00 0.00 O ATOM 64 OP2 DG A 3 7.155 -5.390 -9.337 1.00 0.00 O ATOM 65 O5' DG A 3 8.038 -3.463 -7.996 1.00 0.00 O ATOM 66 C5' DG A 3 8.491 -2.172 -7.489 1.00 0.00 C ATOM 67 C4' DG A 3 7.756 -1.661 -6.219 1.00 0.00 C ATOM 68 O4' DG A 3 6.299 -1.858 -6.340 1.00 0.00 O ATOM 69 C3' DG A 3 8.168 -2.354 -4.898 1.00 0.00 C ATOM 70 O3' DG A 3 8.403 -1.402 -3.822 1.00 0.00 O ATOM 71 C2' DG A 3 6.913 -3.185 -4.517 1.00 0.00 C ATOM 72 C1' DG A 3 5.791 -2.236 -5.066 1.00 0.00 C ATOM 73 N9 DG A 3 4.451 -2.882 -5.286 1.00 0.00 N ATOM 74 C8 DG A 3 4.125 -4.153 -5.736 1.00 0.00 C ATOM 75 N7 DG A 3 2.831 -4.444 -5.632 1.00 0.00 N ATOM 76 C5 DG A 3 2.241 -3.248 -5.207 1.00 0.00 C ATOM 77 C6 DG A 3 0.875 -2.919 -5.001 1.00 0.00 C ATOM 78 O6 DG A 3 -0.081 -3.691 -5.067 1.00 0.00 O ATOM 79 N1 DG A 3 0.697 -1.574 -4.670 1.00 0.00 N ATOM 80 C2 DG A 3 1.707 -0.672 -4.512 1.00 0.00 C ATOM 81 N2 DG A 3 1.252 0.542 -4.254 1.00 0.00 N ATOM 82 N3 DG A 3 2.997 -0.998 -4.590 1.00 0.00 N ATOM 83 C4 DG A 3 3.214 -2.280 -4.990 1.00 0.00 C ATOM 0 H5' DG A 3 8.376 -1.430 -8.279 1.00 0.00 H new ATOM 0 H5'' DG A 3 9.556 -2.240 -7.269 1.00 0.00 H new ATOM 0 H4' DG A 3 8.043 -0.611 -6.166 1.00 0.00 H new ATOM 0 H3' DG A 3 9.087 -2.924 -5.030 1.00 0.00 H new ATOM 0 H2' DG A 3 6.901 -4.166 -4.993 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.832 -3.351 -3.443 1.00 0.00 H new ATOM 0 H1' DG A 3 5.603 -1.438 -4.348 1.00 0.00 H new ATOM 0 H8 DG A 3 4.854 -4.843 -6.134 1.00 0.00 H new ATOM 0 H1 DG A 3 -0.258 -1.242 -4.537 1.00 0.00 H new ATOM 0 H21 DG A 3 1.906 1.312 -4.114 1.00 0.00 H new ATOM 0 H22 DG A 3 0.247 0.708 -4.195 1.00 0.00 H new ATOM 95 P DA A 4 9.666 -0.527 -3.351 1.00 0.00 P ATOM 96 OP1 DA A 4 10.226 0.185 -4.533 1.00 0.00 O ATOM 97 OP2 DA A 4 10.593 -1.452 -2.641 1.00 0.00 O ATOM 98 O5' DA A 4 9.037 0.509 -2.283 1.00 0.00 O ATOM 99 C5' DA A 4 8.554 1.875 -2.464 1.00 0.00 C ATOM 100 C4' DA A 4 7.559 2.415 -1.400 1.00 0.00 C ATOM 101 O4' DA A 4 6.269 1.716 -1.515 1.00 0.00 O ATOM 102 C3' DA A 4 7.989 2.289 0.093 1.00 0.00 C ATOM 103 O3' DA A 4 7.978 3.611 0.699 1.00 0.00 O ATOM 104 C2' DA A 4 6.976 1.258 0.724 1.00 0.00 C ATOM 105 C1' DA A 4 5.752 1.340 -0.238 1.00 0.00 C ATOM 106 N9 DA A 4 5.041 0.033 -0.511 1.00 0.00 N ATOM 107 C8 DA A 4 5.588 -1.191 -0.873 1.00 0.00 C ATOM 108 N7 DA A 4 4.706 -2.108 -1.236 1.00 0.00 N ATOM 109 C5 DA A 4 3.492 -1.449 -1.121 1.00 0.00 C ATOM 110 C6 DA A 4 2.179 -1.898 -1.391 1.00 0.00 C ATOM 111 N6 DA A 4 1.909 -3.140 -1.827 1.00 0.00 N ATOM 112 N1 DA A 4 1.181 -1.010 -1.186 1.00 0.00 N ATOM 113 C2 DA A 4 1.436 0.224 -0.753 1.00 0.00 C ATOM 114 N3 DA A 4 2.635 0.756 -0.485 1.00 0.00 N ATOM 115 C4 DA A 4 3.644 -0.147 -0.676 1.00 0.00 C ATOM 0 H5' DA A 4 8.074 1.939 -3.441 1.00 0.00 H new ATOM 0 H5'' DA A 4 9.418 2.540 -2.489 1.00 0.00 H new ATOM 0 H4' DA A 4 7.512 3.480 -1.630 1.00 0.00 H new ATOM 0 H3' DA A 4 9.003 1.921 0.247 1.00 0.00 H new ATOM 0 H2' DA A 4 7.394 0.252 0.761 1.00 0.00 H new ATOM 0 H2'' DA A 4 6.707 1.529 1.745 1.00 0.00 H new ATOM 0 H1' DA A 4 5.047 2.021 0.239 1.00 0.00 H new ATOM 0 H8 DA A 4 6.651 -1.380 -0.859 1.00 0.00 H new ATOM 0 H61 DA A 4 0.945 -3.418 -2.008 1.00 0.00 H new ATOM 0 H62 DA A 4 2.668 -3.804 -1.977 1.00 0.00 H new ATOM 0 H2 DA A 4 0.581 0.866 -0.601 1.00 0.00 H new ATOM 127 P DT A 5 7.626 4.367 2.076 1.00 0.00 P ATOM 128 OP1 DT A 5 8.027 5.794 1.933 1.00 0.00 O ATOM 129 OP2 DT A 5 8.201 3.647 3.241 1.00 0.00 O ATOM 130 O5' DT A 5 6.022 4.289 2.132 1.00 0.00 O ATOM 131 C5' DT A 5 5.038 5.031 1.350 1.00 0.00 C ATOM 132 C4' DT A 5 3.641 5.104 1.991 1.00 0.00 C ATOM 133 O4' DT A 5 2.989 3.811 1.880 1.00 0.00 O ATOM 134 C3' DT A 5 3.648 5.541 3.458 1.00 0.00 C ATOM 135 O3' DT A 5 2.898 6.768 3.680 1.00 0.00 O ATOM 136 C2' DT A 5 3.050 4.306 4.174 1.00 0.00 C ATOM 137 C1' DT A 5 2.320 3.482 3.077 1.00 0.00 C ATOM 138 N1 DT A 5 2.588 2.007 3.190 1.00 0.00 N ATOM 139 C2 DT A 5 1.500 1.104 3.040 1.00 0.00 C ATOM 140 O2 DT A 5 0.305 1.399 2.992 1.00 0.00 O ATOM 141 N3 DT A 5 1.864 -0.217 2.942 1.00 0.00 N ATOM 142 C4 DT A 5 3.127 -0.763 3.024 1.00 0.00 C ATOM 143 O4 DT A 5 3.247 -1.977 2.875 1.00 0.00 O ATOM 144 C5 DT A 5 4.206 0.190 3.255 1.00 0.00 C ATOM 145 C7 DT A 5 5.587 -0.340 3.477 1.00 0.00 C ATOM 146 C6 DT A 5 3.902 1.512 3.251 1.00 0.00 C ATOM 0 H5' DT A 5 4.950 4.569 0.367 1.00 0.00 H new ATOM 0 H5'' DT A 5 5.406 6.045 1.193 1.00 0.00 H new ATOM 0 H4' DT A 5 3.095 5.872 1.443 1.00 0.00 H new ATOM 0 H3' DT A 5 4.637 5.803 3.833 1.00 0.00 H new ATOM 0 H2' DT A 5 3.833 3.715 4.649 1.00 0.00 H new ATOM 0 H2'' DT A 5 2.357 4.609 4.959 1.00 0.00 H new ATOM 0 H1' DT A 5 1.252 3.689 3.142 1.00 0.00 H new ATOM 0 H3 DT A 5 1.103 -0.878 2.789 1.00 0.00 H new ATOM 0 H71 DT A 5 5.529 -1.322 3.947 1.00 0.00 H new ATOM 0 H72 DT A 5 6.102 -0.426 2.520 1.00 0.00 H new ATOM 0 H73 DT A 5 6.138 0.341 4.125 1.00 0.00 H new ATOM 0 H6 DT A 5 4.714 2.223 3.297 1.00 0.00 H new ATOM 159 P DC A 6 2.750 7.671 5.005 1.00 0.00 P ATOM 160 OP1 DC A 6 2.557 9.096 4.621 1.00 0.00 O ATOM 161 OP2 DC A 6 3.904 7.406 5.910 1.00 0.00 O ATOM 162 O5' DC A 6 1.409 7.112 5.672 1.00 0.00 O ATOM 163 C5' DC A 6 0.090 6.955 5.060 1.00 0.00 C ATOM 164 C4' DC A 6 -0.819 5.863 5.696 1.00 0.00 C ATOM 165 O4' DC A 6 -0.174 4.562 5.544 1.00 0.00 O ATOM 166 C3' DC A 6 -1.017 6.058 7.224 1.00 0.00 C ATOM 167 O3' DC A 6 -2.311 6.674 7.532 1.00 0.00 O ATOM 168 C2' DC A 6 -0.895 4.596 7.772 1.00 0.00 C ATOM 169 C1' DC A 6 -0.635 3.667 6.543 1.00 0.00 C ATOM 170 N1 DC A 6 0.449 2.659 6.759 1.00 0.00 N ATOM 171 C2 DC A 6 0.197 1.277 6.469 1.00 0.00 C ATOM 172 O2 DC A 6 -0.931 0.814 6.253 1.00 0.00 O ATOM 173 N3 DC A 6 1.236 0.399 6.485 1.00 0.00 N ATOM 174 C4 DC A 6 2.465 0.815 6.786 1.00 0.00 C ATOM 175 N4 DC A 6 3.437 -0.091 6.828 1.00 0.00 N ATOM 176 C5 DC A 6 2.758 2.183 7.080 1.00 0.00 C ATOM 177 C6 DC A 6 1.744 3.061 7.068 1.00 0.00 C ATOM 0 H5' DC A 6 0.224 6.721 4.004 1.00 0.00 H new ATOM 0 H5'' DC A 6 -0.431 7.911 5.111 1.00 0.00 H new ATOM 0 H4' DC A 6 -1.782 5.932 5.191 1.00 0.00 H new ATOM 0 H3' DC A 6 -0.295 6.739 7.676 1.00 0.00 H new ATOM 0 H2' DC A 6 -0.080 4.521 8.491 1.00 0.00 H new ATOM 0 H2'' DC A 6 -1.807 4.302 8.292 1.00 0.00 H new ATOM 0 H1' DC A 6 -1.538 3.103 6.311 1.00 0.00 H new ATOM 0 H41 DC A 6 4.390 0.193 7.055 1.00 0.00 H new ATOM 0 H42 DC A 6 3.230 -1.071 6.633 1.00 0.00 H new ATOM 0 H5 DC A 6 3.766 2.500 7.305 1.00 0.00 H new ATOM 0 H6 DC A 6 1.936 4.098 7.302 1.00 0.00 H new ATOM 189 P DC A 7 -3.265 6.788 8.844 1.00 0.00 P ATOM 190 OP1 DC A 7 -4.339 7.800 8.649 1.00 0.00 O ATOM 191 OP2 DC A 7 -2.398 6.982 10.046 1.00 0.00 O ATOM 192 O5' DC A 7 -3.974 5.327 8.935 1.00 0.00 O ATOM 193 C5' DC A 7 -4.684 4.663 7.831 1.00 0.00 C ATOM 194 C4' DC A 7 -5.131 3.184 8.094 1.00 0.00 C ATOM 195 O4' DC A 7 -3.959 2.355 8.309 1.00 0.00 O ATOM 196 C3' DC A 7 -5.978 3.059 9.375 1.00 0.00 C ATOM 197 O3' DC A 7 -7.212 2.343 9.062 1.00 0.00 O ATOM 198 C2' DC A 7 -5.075 2.287 10.399 1.00 0.00 C ATOM 199 C1' DC A 7 -4.109 1.535 9.461 1.00 0.00 C ATOM 200 N1 DC A 7 -2.708 1.310 9.947 1.00 0.00 N ATOM 201 C2 DC A 7 -2.126 0.032 9.711 1.00 0.00 C ATOM 202 O2 DC A 7 -2.764 -0.923 9.265 1.00 0.00 O ATOM 203 N3 DC A 7 -0.798 -0.154 9.942 1.00 0.00 N ATOM 204 C4 DC A 7 -0.033 0.847 10.350 1.00 0.00 C ATOM 205 N4 DC A 7 1.267 0.572 10.525 1.00 0.00 N ATOM 206 C5 DC A 7 -0.570 2.158 10.569 1.00 0.00 C ATOM 207 C6 DC A 7 -1.880 2.362 10.327 1.00 0.00 C ATOM 0 H5' DC A 7 -4.041 4.676 6.951 1.00 0.00 H new ATOM 0 H5'' DC A 7 -5.569 5.251 7.588 1.00 0.00 H new ATOM 0 H4' DC A 7 -5.712 2.872 7.226 1.00 0.00 H new ATOM 0 H3' DC A 7 -6.277 4.020 9.794 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.548 2.964 11.071 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.654 1.605 11.022 1.00 0.00 H new ATOM 0 H1' DC A 7 -4.555 0.549 9.329 1.00 0.00 H new ATOM 0 H41 DC A 7 1.905 1.303 10.838 1.00 0.00 H new ATOM 0 H42 DC A 7 1.618 -0.369 10.345 1.00 0.00 H new ATOM 0 H5 DC A 7 0.060 2.962 10.919 1.00 0.00 H new ATOM 0 H6 DC A 7 -2.293 3.355 10.429 1.00 0.00 H new ATOM 219 P DG A 8 -8.674 2.118 9.647 1.00 0.00 P ATOM 220 OP1 DG A 8 -9.612 1.905 8.521 1.00 0.00 O ATOM 221 OP2 DG A 8 -9.030 3.216 10.578 1.00 0.00 O ATOM 222 O5' DG A 8 -8.578 0.724 10.420 1.00 0.00 O ATOM 223 C5' DG A 8 -7.999 0.390 11.706 1.00 0.00 C ATOM 224 C4' DG A 8 -7.262 -0.986 11.698 1.00 0.00 C ATOM 225 O4' DG A 8 -5.834 -0.726 11.565 1.00 0.00 O ATOM 226 C3' DG A 8 -7.395 -1.727 13.047 1.00 0.00 C ATOM 227 O3' DG A 8 -8.300 -2.838 12.974 1.00 0.00 O ATOM 228 C2' DG A 8 -5.985 -2.223 13.395 1.00 0.00 C ATOM 229 C1' DG A 8 -5.049 -1.607 12.355 1.00 0.00 C ATOM 230 N9 DG A 8 -3.892 -0.829 12.911 1.00 0.00 N ATOM 231 C8 DG A 8 -3.918 0.396 13.533 1.00 0.00 C ATOM 232 N7 DG A 8 -2.713 0.847 13.890 1.00 0.00 N ATOM 233 C5 DG A 8 -1.842 -0.178 13.533 1.00 0.00 C ATOM 234 C6 DG A 8 -0.447 -0.303 13.756 1.00 0.00 C ATOM 235 O6 DG A 8 0.308 0.547 14.231 1.00 0.00 O ATOM 236 N1 DG A 8 0.021 -1.563 13.410 1.00 0.00 N ATOM 237 C2 DG A 8 -0.723 -2.567 12.862 1.00 0.00 C ATOM 238 N2 DG A 8 -0.029 -3.697 12.740 1.00 0.00 N ATOM 239 N3 DG A 8 -2.011 -2.408 12.527 1.00 0.00 N ATOM 240 C4 DG A 8 -2.538 -1.224 12.929 1.00 0.00 C ATOM 0 H5' DG A 8 -8.786 0.371 12.460 1.00 0.00 H new ATOM 0 H5'' DG A 8 -7.297 1.171 11.997 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.693 -1.580 10.892 1.00 0.00 H new ATOM 0 H3' DG A 8 -7.801 -1.056 13.804 1.00 0.00 H new ATOM 0 H2' DG A 8 -5.702 -1.918 14.403 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.937 -3.312 13.366 1.00 0.00 H new ATOM 0 HO3' DG A 8 -8.351 -3.277 13.849 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.606 -2.434 11.800 1.00 0.00 H new ATOM 0 H8 DG A 8 -4.830 0.944 13.716 1.00 0.00 H new ATOM 0 H1 DG A 8 1.008 -1.755 13.580 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.471 -4.526 12.343 1.00 0.00 H new ATOM 0 H22 DG A 8 0.944 -3.733 13.043 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 11 8.400 -4.862 13.977 1.00 0.00 O ATOM 255 C5' DC B 11 7.953 -6.188 14.302 1.00 0.00 C ATOM 256 C4' DC B 11 6.436 -6.448 14.069 1.00 0.00 C ATOM 257 O4' DC B 11 5.629 -5.548 14.895 1.00 0.00 O ATOM 258 C3' DC B 11 5.913 -6.327 12.605 1.00 0.00 C ATOM 259 O3' DC B 11 5.105 -7.464 12.175 1.00 0.00 O ATOM 260 C2' DC B 11 5.061 -5.050 12.701 1.00 0.00 C ATOM 261 C1' DC B 11 4.506 -5.106 14.157 1.00 0.00 C ATOM 262 N1 DC B 11 4.142 -3.745 14.664 1.00 0.00 N ATOM 263 C2 DC B 11 2.773 -3.370 14.847 1.00 0.00 C ATOM 264 O2 DC B 11 1.852 -4.198 14.814 1.00 0.00 O ATOM 265 N3 DC B 11 2.457 -2.052 15.033 1.00 0.00 N ATOM 266 C4 DC B 11 3.427 -1.121 15.079 1.00 0.00 C ATOM 267 N4 DC B 11 3.096 0.178 15.200 1.00 0.00 N ATOM 268 C5 DC B 11 4.813 -1.481 14.941 1.00 0.00 C ATOM 269 C6 DC B 11 5.102 -2.771 14.717 1.00 0.00 C ATOM 0 H5' DC B 11 8.183 -6.386 15.349 1.00 0.00 H new ATOM 0 H5'' DC B 11 8.524 -6.903 13.709 1.00 0.00 H new ATOM 0 H4' DC B 11 6.329 -7.497 14.344 1.00 0.00 H new ATOM 0 H3' DC B 11 6.717 -6.300 11.869 1.00 0.00 H new ATOM 0 H2' DC B 11 5.657 -4.154 12.531 1.00 0.00 H new ATOM 0 H2'' DC B 11 4.259 -5.044 11.963 1.00 0.00 H new ATOM 0 HO5' DC B 11 9.361 -4.788 14.155 1.00 0.00 H new ATOM 0 H1' DC B 11 3.614 -5.728 14.229 1.00 0.00 H new ATOM 0 H41 DC B 11 3.826 0.889 15.236 1.00 0.00 H new ATOM 0 H42 DC B 11 2.115 0.451 15.256 1.00 0.00 H new ATOM 0 H5 DC B 11 5.593 -0.738 15.015 1.00 0.00 H new ATOM 0 H6 DC B 11 6.134 -3.053 14.572 1.00 0.00 H new ATOM 282 P DG B 12 5.523 -8.987 11.917 1.00 0.00 P ATOM 283 OP1 DG B 12 5.590 -9.655 13.235 1.00 0.00 O ATOM 284 OP2 DG B 12 6.747 -9.023 11.077 1.00 0.00 O ATOM 285 O5' DG B 12 4.301 -9.598 11.087 1.00 0.00 O ATOM 286 C5' DG B 12 3.135 -10.357 11.532 1.00 0.00 C ATOM 287 C4' DG B 12 1.784 -9.909 10.930 1.00 0.00 C ATOM 288 O4' DG B 12 1.587 -8.471 11.139 1.00 0.00 O ATOM 289 C3' DG B 12 1.587 -10.179 9.431 1.00 0.00 C ATOM 290 O3' DG B 12 0.224 -10.632 9.154 1.00 0.00 O ATOM 291 C2' DG B 12 1.874 -8.788 8.876 1.00 0.00 C ATOM 292 C1' DG B 12 1.219 -7.902 9.903 1.00 0.00 C ATOM 293 N9 DG B 12 1.765 -6.544 9.880 1.00 0.00 N ATOM 294 C8 DG B 12 3.071 -6.228 9.923 1.00 0.00 C ATOM 295 N7 DG B 12 3.312 -4.929 9.768 1.00 0.00 N ATOM 296 C5 DG B 12 2.050 -4.361 9.669 1.00 0.00 C ATOM 297 C6 DG B 12 1.656 -3.001 9.546 1.00 0.00 C ATOM 298 O6 DG B 12 2.382 -2.006 9.634 1.00 0.00 O ATOM 299 N1 DG B 12 0.271 -2.867 9.438 1.00 0.00 N ATOM 300 C2 DG B 12 -0.629 -3.905 9.487 1.00 0.00 C ATOM 301 N2 DG B 12 -1.895 -3.577 9.361 1.00 0.00 N ATOM 302 N3 DG B 12 -0.258 -5.171 9.638 1.00 0.00 N ATOM 303 C4 DG B 12 1.078 -5.347 9.721 1.00 0.00 C ATOM 0 H5' DG B 12 3.070 -10.288 12.618 1.00 0.00 H new ATOM 0 H5'' DG B 12 3.292 -11.408 11.288 1.00 0.00 H new ATOM 0 H4' DG B 12 1.055 -10.523 11.459 1.00 0.00 H new ATOM 0 H3' DG B 12 2.209 -10.966 9.004 1.00 0.00 H new ATOM 0 H2' DG B 12 2.943 -8.594 8.792 1.00 0.00 H new ATOM 0 H2'' DG B 12 1.446 -8.648 7.883 1.00 0.00 H new ATOM 0 H1' DG B 12 0.146 -7.838 9.723 1.00 0.00 H new ATOM 0 H8 DG B 12 3.851 -6.960 10.070 1.00 0.00 H new ATOM 0 H1 DG B 12 -0.102 -1.926 9.313 1.00 0.00 H new ATOM 0 H21 DG B 12 -2.614 -4.300 9.388 1.00 0.00 H new ATOM 0 H22 DG B 12 -2.159 -2.600 9.236 1.00 0.00 H new ATOM 315 P DG B 13 -0.715 -11.042 7.920 1.00 0.00 P ATOM 316 OP1 DG B 13 -1.530 -12.206 8.349 1.00 0.00 O ATOM 317 OP2 DG B 13 0.079 -11.241 6.687 1.00 0.00 O ATOM 318 O5' DG B 13 -1.681 -9.766 7.755 1.00 0.00 O ATOM 319 C5' DG B 13 -2.968 -9.485 7.104 1.00 0.00 C ATOM 320 C4' DG B 13 -2.893 -8.479 5.895 1.00 0.00 C ATOM 321 O4' DG B 13 -1.922 -7.412 6.157 1.00 0.00 O ATOM 322 C3' DG B 13 -2.437 -9.160 4.585 1.00 0.00 C ATOM 323 O3' DG B 13 -3.309 -8.920 3.448 1.00 0.00 O ATOM 324 C2' DG B 13 -1.084 -8.497 4.303 1.00 0.00 C ATOM 325 C1' DG B 13 -1.258 -7.129 4.940 1.00 0.00 C ATOM 326 N9 DG B 13 -0.036 -6.339 5.231 1.00 0.00 N ATOM 327 C8 DG B 13 1.267 -6.718 5.228 1.00 0.00 C ATOM 328 N7 DG B 13 2.136 -5.726 5.415 1.00 0.00 N ATOM 329 C5 DG B 13 1.331 -4.619 5.618 1.00 0.00 C ATOM 330 C6 DG B 13 1.675 -3.275 5.898 1.00 0.00 C ATOM 331 O6 DG B 13 2.814 -2.817 6.077 1.00 0.00 O ATOM 332 N1 DG B 13 0.558 -2.462 6.018 1.00 0.00 N ATOM 333 C2 DG B 13 -0.742 -2.874 5.908 1.00 0.00 C ATOM 334 N2 DG B 13 -1.637 -1.926 6.107 1.00 0.00 N ATOM 335 N3 DG B 13 -1.069 -4.128 5.635 1.00 0.00 N ATOM 336 C4 DG B 13 -0.011 -4.963 5.498 1.00 0.00 C ATOM 0 H5' DG B 13 -3.656 -9.085 7.849 1.00 0.00 H new ATOM 0 H5'' DG B 13 -3.393 -10.425 6.750 1.00 0.00 H new ATOM 0 H4' DG B 13 -3.904 -8.088 5.785 1.00 0.00 H new ATOM 0 H3' DG B 13 -2.424 -10.243 4.709 1.00 0.00 H new ATOM 0 H2' DG B 13 -0.258 -9.052 4.749 1.00 0.00 H new ATOM 0 H2'' DG B 13 -0.880 -8.426 3.235 1.00 0.00 H new ATOM 0 H1' DG B 13 -1.783 -6.493 4.227 1.00 0.00 H new ATOM 0 H8 DG B 13 1.575 -7.743 5.085 1.00 0.00 H new ATOM 0 H1 DG B 13 0.719 -1.472 6.204 1.00 0.00 H new ATOM 0 H21 DG B 13 -2.632 -2.143 6.045 1.00 0.00 H new ATOM 0 H22 DG B 13 -1.334 -0.976 6.323 1.00 0.00 H new ATOM 348 P DA B 14 -4.656 -9.617 2.958 1.00 0.00 P ATOM 349 OP1 DA B 14 -4.910 -10.867 3.711 1.00 0.00 O ATOM 350 OP2 DA B 14 -4.615 -9.789 1.487 1.00 0.00 O ATOM 351 O5' DA B 14 -5.813 -8.570 3.267 1.00 0.00 O ATOM 352 C5' DA B 14 -6.186 -7.607 4.291 1.00 0.00 C ATOM 353 C4' DA B 14 -6.090 -6.167 3.856 1.00 0.00 C ATOM 354 O4' DA B 14 -4.698 -5.761 3.615 1.00 0.00 O ATOM 355 C3' DA B 14 -6.876 -5.806 2.563 1.00 0.00 C ATOM 356 O3' DA B 14 -7.869 -4.787 2.857 1.00 0.00 O ATOM 357 C2' DA B 14 -5.745 -5.342 1.565 1.00 0.00 C ATOM 358 C1' DA B 14 -4.680 -4.804 2.570 1.00 0.00 C ATOM 359 N9 DA B 14 -3.265 -4.761 2.102 1.00 0.00 N ATOM 360 C8 DA B 14 -2.482 -5.791 1.647 1.00 0.00 C ATOM 361 N7 DA B 14 -1.196 -5.511 1.535 1.00 0.00 N ATOM 362 C5 DA B 14 -1.130 -4.182 1.923 1.00 0.00 C ATOM 363 C6 DA B 14 -0.028 -3.298 2.019 1.00 0.00 C ATOM 364 N6 DA B 14 1.244 -3.653 1.755 1.00 0.00 N ATOM 365 N1 DA B 14 -0.282 -2.035 2.399 1.00 0.00 N ATOM 366 C2 DA B 14 -1.521 -1.647 2.696 1.00 0.00 C ATOM 367 N3 DA B 14 -2.623 -2.415 2.706 1.00 0.00 N ATOM 368 C4 DA B 14 -2.365 -3.686 2.277 1.00 0.00 C ATOM 0 H5' DA B 14 -5.547 -7.754 5.161 1.00 0.00 H new ATOM 0 H5'' DA B 14 -7.209 -7.811 4.609 1.00 0.00 H new ATOM 0 H4' DA B 14 -6.539 -5.636 4.695 1.00 0.00 H new ATOM 0 H3' DA B 14 -7.453 -6.624 2.133 1.00 0.00 H new ATOM 0 H2' DA B 14 -5.365 -6.164 0.959 1.00 0.00 H new ATOM 0 H2'' DA B 14 -6.091 -4.571 0.876 1.00 0.00 H new ATOM 0 H1' DA B 14 -4.944 -3.772 2.800 1.00 0.00 H new ATOM 0 H8 DA B 14 -2.887 -6.761 1.398 1.00 0.00 H new ATOM 0 H61 DA B 14 1.994 -2.967 1.843 1.00 0.00 H new ATOM 0 H62 DA B 14 1.458 -4.608 1.467 1.00 0.00 H new ATOM 0 H2 DA B 14 -1.653 -0.607 2.956 1.00 0.00 H new ATOM 380 P DT B 15 -8.986 -4.080 1.960 1.00 0.00 P ATOM 381 OP1 DT B 15 -10.117 -3.633 2.807 1.00 0.00 O ATOM 382 OP2 DT B 15 -9.348 -4.964 0.834 1.00 0.00 O ATOM 383 O5' DT B 15 -8.224 -2.824 1.358 1.00 0.00 O ATOM 384 C5' DT B 15 -7.704 -1.686 2.110 1.00 0.00 C ATOM 385 C4' DT B 15 -6.716 -0.777 1.333 1.00 0.00 C ATOM 386 O4' DT B 15 -5.510 -1.510 1.019 1.00 0.00 O ATOM 387 C3' DT B 15 -7.188 -0.297 -0.041 1.00 0.00 C ATOM 388 O3' DT B 15 -7.955 0.927 0.058 1.00 0.00 O ATOM 389 C2' DT B 15 -5.820 -0.052 -0.786 1.00 0.00 C ATOM 390 C1' DT B 15 -4.760 -0.705 0.130 1.00 0.00 C ATOM 391 N1 DT B 15 -3.754 -1.581 -0.542 1.00 0.00 N ATOM 392 C2 DT B 15 -2.390 -1.174 -0.531 1.00 0.00 C ATOM 393 O2 DT B 15 -1.950 -0.103 -0.123 1.00 0.00 O ATOM 394 N3 DT B 15 -1.503 -2.091 -1.058 1.00 0.00 N ATOM 395 C4 DT B 15 -1.788 -3.341 -1.568 1.00 0.00 C ATOM 396 O4 DT B 15 -0.855 -4.046 -1.983 1.00 0.00 O ATOM 397 C5 DT B 15 -3.201 -3.703 -1.570 1.00 0.00 C ATOM 398 C7 DT B 15 -3.653 -5.017 -2.156 1.00 0.00 C ATOM 399 C6 DT B 15 -4.086 -2.839 -1.044 1.00 0.00 C ATOM 0 H5' DT B 15 -7.203 -2.059 3.003 1.00 0.00 H new ATOM 0 H5'' DT B 15 -8.544 -1.078 2.446 1.00 0.00 H new ATOM 0 H4' DT B 15 -6.595 0.074 2.004 1.00 0.00 H new ATOM 0 H3' DT B 15 -7.850 -1.000 -0.547 1.00 0.00 H new ATOM 0 H2' DT B 15 -5.821 -0.505 -1.778 1.00 0.00 H new ATOM 0 H2'' DT B 15 -5.627 1.012 -0.922 1.00 0.00 H new ATOM 0 H1' DT B 15 -4.170 0.093 0.581 1.00 0.00 H new ATOM 0 H3 DT B 15 -0.522 -1.812 -1.072 1.00 0.00 H new ATOM 0 H71 DT B 15 -4.548 -5.358 -1.637 1.00 0.00 H new ATOM 0 H72 DT B 15 -3.876 -4.886 -3.215 1.00 0.00 H new ATOM 0 H73 DT B 15 -2.862 -5.758 -2.041 1.00 0.00 H new ATOM 0 H6 DT B 15 -5.123 -3.139 -1.008 1.00 0.00 H new ATOM 412 P DC B 16 -8.966 1.565 -0.996 1.00 0.00 P ATOM 413 OP1 DC B 16 -9.808 2.552 -0.280 1.00 0.00 O ATOM 414 OP2 DC B 16 -9.684 0.484 -1.713 1.00 0.00 O ATOM 415 O5' DC B 16 -8.029 2.280 -2.076 1.00 0.00 O ATOM 416 C5' DC B 16 -7.145 3.413 -1.836 1.00 0.00 C ATOM 417 C4' DC B 16 -5.983 3.657 -2.855 1.00 0.00 C ATOM 418 O4' DC B 16 -4.878 2.730 -2.666 1.00 0.00 O ATOM 419 C3' DC B 16 -6.287 3.541 -4.318 1.00 0.00 C ATOM 420 O3' DC B 16 -7.095 4.617 -4.850 1.00 0.00 O ATOM 421 C2' DC B 16 -4.859 3.561 -4.912 1.00 0.00 C ATOM 422 C1' DC B 16 -4.051 2.743 -3.828 1.00 0.00 C ATOM 423 N1 DC B 16 -3.746 1.305 -4.134 1.00 0.00 N ATOM 424 C2 DC B 16 -2.376 0.839 -4.135 1.00 0.00 C ATOM 425 O2 DC B 16 -1.399 1.587 -3.960 1.00 0.00 O ATOM 426 N3 DC B 16 -2.132 -0.495 -4.339 1.00 0.00 N ATOM 427 C4 DC B 16 -3.141 -1.348 -4.568 1.00 0.00 C ATOM 428 N4 DC B 16 -2.849 -2.632 -4.807 1.00 0.00 N ATOM 429 C5 DC B 16 -4.512 -0.915 -4.561 1.00 0.00 C ATOM 430 C6 DC B 16 -4.766 0.376 -4.301 1.00 0.00 C ATOM 0 H5' DC B 16 -6.704 3.290 -0.847 1.00 0.00 H new ATOM 0 H5'' DC B 16 -7.757 4.315 -1.803 1.00 0.00 H new ATOM 0 H4' DC B 16 -5.761 4.698 -2.622 1.00 0.00 H new ATOM 0 H3' DC B 16 -6.886 2.661 -4.555 1.00 0.00 H new ATOM 0 H2' DC B 16 -4.818 3.091 -5.895 1.00 0.00 H new ATOM 0 H2'' DC B 16 -4.478 4.576 -5.028 1.00 0.00 H new ATOM 0 H1' DC B 16 -3.081 3.234 -3.746 1.00 0.00 H new ATOM 0 H41 DC B 16 -3.598 -3.301 -4.984 1.00 0.00 H new ATOM 0 H42 DC B 16 -1.877 -2.942 -4.812 1.00 0.00 H new ATOM 0 H5 DC B 16 -5.315 -1.610 -4.760 1.00 0.00 H new ATOM 0 H6 DC B 16 -5.792 0.703 -4.219 1.00 0.00 H new ATOM 442 P DC B 17 -8.639 4.595 -5.251 1.00 0.00 P ATOM 443 OP1 DC B 17 -9.395 5.265 -4.159 1.00 0.00 O ATOM 444 OP2 DC B 17 -9.064 3.221 -5.610 1.00 0.00 O ATOM 445 O5' DC B 17 -8.684 5.553 -6.541 1.00 0.00 O ATOM 446 C5' DC B 17 -8.407 5.440 -7.969 1.00 0.00 C ATOM 447 C4' DC B 17 -7.051 6.078 -8.384 1.00 0.00 C ATOM 448 O4' DC B 17 -6.019 5.029 -8.389 1.00 0.00 O ATOM 449 C3' DC B 17 -7.049 6.704 -9.805 1.00 0.00 C ATOM 450 O3' DC B 17 -6.669 8.115 -9.782 1.00 0.00 O ATOM 451 C2' DC B 17 -6.053 5.866 -10.639 1.00 0.00 C ATOM 452 C1' DC B 17 -5.300 4.972 -9.623 1.00 0.00 C ATOM 453 N1 DC B 17 -5.300 3.528 -10.056 1.00 0.00 N ATOM 454 C2 DC B 17 -4.071 2.880 -10.433 1.00 0.00 C ATOM 455 O2 DC B 17 -2.969 3.457 -10.460 1.00 0.00 O ATOM 456 N3 DC B 17 -4.109 1.568 -10.839 1.00 0.00 N ATOM 457 C4 DC B 17 -5.274 0.918 -10.922 1.00 0.00 C ATOM 458 N4 DC B 17 -5.281 -0.364 -11.312 1.00 0.00 N ATOM 459 C5 DC B 17 -6.517 1.542 -10.613 1.00 0.00 C ATOM 460 C6 DC B 17 -6.494 2.828 -10.204 1.00 0.00 C ATOM 0 H5' DC B 17 -9.212 5.918 -8.527 1.00 0.00 H new ATOM 0 H5'' DC B 17 -8.406 4.387 -8.250 1.00 0.00 H new ATOM 0 H4' DC B 17 -6.864 6.874 -7.663 1.00 0.00 H new ATOM 0 H3' DC B 17 -8.049 6.682 -10.238 1.00 0.00 H new ATOM 0 H2' DC B 17 -6.575 5.261 -11.380 1.00 0.00 H new ATOM 0 H2'' DC B 17 -5.361 6.509 -11.183 1.00 0.00 H new ATOM 0 H1' DC B 17 -4.272 5.326 -9.540 1.00 0.00 H new ATOM 0 H41 DC B 17 -6.163 -0.872 -11.380 1.00 0.00 H new ATOM 0 H42 DC B 17 -4.404 -0.832 -11.541 1.00 0.00 H new ATOM 0 H5 DC B 17 -7.448 1.003 -10.703 1.00 0.00 H new ATOM 0 H6 DC B 17 -7.427 3.327 -9.986 1.00 0.00 H new ATOM 472 P DG B 18 -7.141 9.424 -10.587 1.00 0.00 P ATOM 473 OP1 DG B 18 -7.418 10.529 -9.638 1.00 0.00 O ATOM 474 OP2 DG B 18 -8.221 9.105 -11.555 1.00 0.00 O ATOM 475 O5' DG B 18 -5.888 9.853 -11.466 1.00 0.00 O ATOM 476 C5' DG B 18 -4.598 10.491 -11.238 1.00 0.00 C ATOM 477 C4' DG B 18 -3.629 10.250 -12.414 1.00 0.00 C ATOM 478 O4' DG B 18 -3.449 8.809 -12.581 1.00 0.00 O ATOM 479 C3' DG B 18 -4.160 10.762 -13.757 1.00 0.00 C ATOM 480 O3' DG B 18 -3.566 11.999 -14.145 1.00 0.00 O ATOM 481 C2' DG B 18 -3.797 9.665 -14.765 1.00 0.00 C ATOM 482 C1' DG B 18 -3.245 8.488 -13.944 1.00 0.00 C ATOM 483 N9 DG B 18 -3.911 7.173 -14.138 1.00 0.00 N ATOM 484 C8 DG B 18 -5.229 6.922 -13.965 1.00 0.00 C ATOM 485 N7 DG B 18 -5.555 5.639 -14.048 1.00 0.00 N ATOM 486 C5 DG B 18 -4.342 4.983 -14.211 1.00 0.00 C ATOM 487 C6 DG B 18 -4.051 3.591 -14.280 1.00 0.00 C ATOM 488 O6 DG B 18 -4.889 2.667 -14.259 1.00 0.00 O ATOM 489 N1 DG B 18 -2.673 3.358 -14.397 1.00 0.00 N ATOM 490 C2 DG B 18 -1.701 4.316 -14.465 1.00 0.00 C ATOM 491 N2 DG B 18 -0.508 3.775 -14.593 1.00 0.00 N ATOM 492 N3 DG B 18 -1.973 5.625 -14.415 1.00 0.00 N ATOM 493 C4 DG B 18 -3.297 5.908 -14.272 1.00 0.00 C ATOM 0 H5' DG B 18 -4.158 10.105 -10.318 1.00 0.00 H new ATOM 0 H5'' DG B 18 -4.741 11.562 -11.098 1.00 0.00 H new ATOM 0 H4' DG B 18 -2.711 10.784 -12.168 1.00 0.00 H new ATOM 0 H3' DG B 18 -5.231 10.957 -13.700 1.00 0.00 H new ATOM 0 H2' DG B 18 -4.672 9.361 -15.340 1.00 0.00 H new ATOM 0 H2'' DG B 18 -3.055 10.023 -15.478 1.00 0.00 H new ATOM 0 HO3' DG B 18 -3.935 12.283 -15.007 1.00 0.00 H new ATOM 0 H1' DG B 18 -2.211 8.371 -14.269 1.00 0.00 H new ATOM 0 H8 DG B 18 -5.954 7.700 -13.775 1.00 0.00 H new ATOM 0 H1 DG B 18 -2.369 2.385 -14.435 1.00 0.00 H new ATOM 0 H21 DG B 18 0.318 4.370 -14.656 1.00 0.00 H new ATOM 0 H22 DG B 18 -0.409 2.760 -14.629 1.00 0.00 H new TER 506 DG B 18 HETATM 507 C1 DAG B 21 -3.640 6.790 2.585 1.00 0.00 C HETATM 508 C2 DAG B 21 -4.531 7.489 3.621 1.00 0.00 C HETATM 509 C3 DAG B 21 -5.361 6.421 4.367 1.00 0.00 C HETATM 510 C4 DAG B 21 -6.011 5.395 3.371 1.00 0.00 C HETATM 511 C5 DAG B 21 -5.002 4.927 2.293 1.00 0.00 C HETATM 512 C6 DAG B 21 -5.629 4.092 1.173 1.00 0.00 C HETATM 513 O1 DAG B 21 -2.959 7.631 1.714 1.00 0.00 O HETATM 514 O2 DAG B 21 -3.672 8.217 4.502 1.00 0.00 O HETATM 515 O3 DAG B 21 -6.315 6.794 5.379 1.00 0.00 O HETATM 516 N4 DAG B 21 -6.623 4.357 4.163 1.00 0.00 N HETATM 517 O5 DAG B 21 -4.483 6.081 1.712 1.00 0.00 O HETATM 0 HN42 DAG B 21 -7.106 3.584 3.705 1.00 0.00 H new HETATM 0 HO3 DAG B 21 -7.217 6.787 4.997 1.00 0.00 H new HETATM 0 H63 DAG B 21 -6.084 3.197 1.597 1.00 0.00 H new HETATM 0 H62 DAG B 21 -6.393 4.680 0.664 1.00 0.00 H new HETATM 0 H61 DAG B 21 -4.858 3.803 0.459 1.00 0.00 H new HETATM 0 H5 DAG B 21 -4.260 4.295 2.781 1.00 0.00 H new HETATM 0 H4 DAG B 21 -6.800 5.849 2.771 1.00 0.00 H new HETATM 0 H3 DAG B 21 -4.569 5.984 4.976 1.00 0.00 H new HETATM 0 H2 DAG B 21 -5.233 8.184 3.159 1.00 0.00 H new HETATM 0 H1 DAG B 21 -2.927 6.215 3.177 1.00 0.00 H new HETATM 528 C1 TMR B 22 -5.558 2.302 4.500 1.00 0.00 C HETATM 529 C2 TMR B 22 -4.126 1.811 4.781 1.00 0.00 C HETATM 530 C3 TMR B 22 -4.118 0.295 4.808 1.00 0.00 C HETATM 531 C4 TMR B 22 -5.236 -0.185 5.753 1.00 0.00 C HETATM 532 C5 TMR B 22 -6.596 0.347 5.267 1.00 0.00 C HETATM 533 C6 TMR B 22 -7.774 -0.146 6.118 1.00 0.00 C HETATM 534 C7 TMR B 22 -5.213 -2.384 7.534 1.00 0.00 C HETATM 535 O1 TMR B 22 -5.517 3.663 4.810 1.00 0.00 O HETATM 536 O3 TMR B 22 -4.297 -0.078 3.447 1.00 0.00 O HETATM 537 O5 TMR B 22 -6.516 1.743 5.388 1.00 0.00 O HETATM 538 S4 TMR B 22 -5.190 -1.996 5.781 1.00 0.00 S HETATM 0 HO3 TMR B 22 -3.629 -0.752 3.202 1.00 0.00 H new HETATM 0 H73 TMR B 22 -5.782 -3.299 7.697 1.00 0.00 H new HETATM 0 H72 TMR B 22 -4.192 -2.524 7.889 1.00 0.00 H new HETATM 0 H71 TMR B 22 -5.679 -1.565 8.082 1.00 0.00 H new HETATM 0 H63 TMR B 22 -7.815 -1.235 6.086 1.00 0.00 H new HETATM 0 H62 TMR B 22 -7.641 0.182 7.149 1.00 0.00 H new HETATM 0 H61 TMR B 22 -8.704 0.264 5.724 1.00 0.00 H new HETATM 0 H5 TMR B 22 -6.780 -0.001 4.251 1.00 0.00 H new HETATM 0 H4 TMR B 22 -5.089 0.194 6.764 1.00 0.00 H new HETATM 0 H3 TMR B 22 -3.205 -0.159 5.193 1.00 0.00 H new HETATM 0 H22 TMR B 22 -3.445 2.177 4.012 1.00 0.00 H new HETATM 0 H21 TMR B 22 -3.773 2.206 5.734 1.00 0.00 H new HETATM 0 H1 TMR B 22 -5.841 2.042 3.480 1.00 0.00 H new HETATM 552 C1 MAT A 23 -4.256 9.416 4.913 1.00 0.00 C HETATM 553 C2 MAT A 23 -3.562 10.089 6.073 1.00 0.00 C HETATM 554 C3 MAT A 23 -2.185 10.587 5.682 1.00 0.00 C HETATM 555 C4 MAT A 23 -2.324 11.477 4.447 1.00 0.00 C HETATM 556 C5 MAT A 23 -3.040 10.684 3.344 1.00 0.00 C HETATM 557 C6 MAT A 23 -0.875 13.089 3.033 1.00 0.00 C HETATM 558 C7 MAT A 23 -2.126 13.586 2.282 1.00 0.00 C HETATM 559 C8 MAT A 23 0.135 12.570 2.001 1.00 0.00 C HETATM 560 C9 MAT A 23 -0.966 10.707 7.737 1.00 0.00 C HETATM 561 O3 MAT A 23 -1.685 11.392 6.721 1.00 0.00 O HETATM 562 N4 MAT A 23 -1.010 12.032 4.065 1.00 0.00 N HETATM 563 O5 MAT A 23 -4.305 10.302 3.821 1.00 0.00 O HETATM 0 HN4 MAT A 23 -0.171 11.678 4.524 1.00 0.00 H new HETATM 0 H93 MAT A 23 -1.615 9.969 8.207 1.00 0.00 H new HETATM 0 H92 MAT A 23 -0.104 10.205 7.297 1.00 0.00 H new HETATM 0 H91 MAT A 23 -0.626 11.421 8.487 1.00 0.00 H new HETATM 0 H83 MAT A 23 -0.310 11.751 1.436 1.00 0.00 H new HETATM 0 H82 MAT A 23 0.405 13.376 1.319 1.00 0.00 H new HETATM 0 H81 MAT A 23 1.028 12.213 2.514 1.00 0.00 H new HETATM 0 H73 MAT A 23 -1.846 14.388 1.599 1.00 0.00 H new HETATM 0 H72 MAT A 23 -2.561 12.763 1.716 1.00 0.00 H new HETATM 0 H71 MAT A 23 -2.857 13.959 2.999 1.00 0.00 H new HETATM 0 H6 MAT A 23 -0.578 13.974 3.597 1.00 0.00 H new HETATM 0 H52 MAT A 23 -3.142 11.292 2.445 1.00 0.00 H new HETATM 0 H51 MAT A 23 -2.457 9.805 3.070 1.00 0.00 H new HETATM 0 H4 MAT A 23 -2.945 12.349 4.651 1.00 0.00 H new HETATM 0 H3 MAT A 23 -1.526 9.741 5.489 1.00 0.00 H new HETATM 0 H22 MAT A 23 -4.166 10.925 6.425 1.00 0.00 H new HETATM 0 H21 MAT A 23 -3.475 9.388 6.903 1.00 0.00 H new HETATM 583 C1 DLF B 24 -0.382 6.465 -5.276 1.00 0.00 C HETATM 584 C2 DLF B 24 0.004 5.168 -6.000 1.00 0.00 C HETATM 585 C3 DLF B 24 -1.287 4.371 -6.326 1.00 0.00 C HETATM 586 C4 DLF B 24 -2.353 5.267 -7.095 1.00 0.00 C HETATM 587 C5 DLF B 24 -2.570 6.598 -6.325 1.00 0.00 C HETATM 588 C6 DLF B 24 -3.403 7.656 -7.067 1.00 0.00 C HETATM 589 O1 DLF B 24 -0.989 6.124 -4.058 1.00 0.00 O HETATM 590 O3 DLF B 24 -0.841 3.265 -7.134 1.00 0.00 O HETATM 591 O4 DLF B 24 -1.927 5.522 -8.448 1.00 0.00 O HETATM 592 O5 DLF B 24 -1.303 7.188 -6.071 1.00 0.00 O HETATM 0 HO4 DLF B 24 -2.235 4.796 -9.030 1.00 0.00 H new HETATM 0 H63 DLF B 24 -2.909 7.917 -8.003 1.00 0.00 H new HETATM 0 H62 DLF B 24 -4.394 7.256 -7.279 1.00 0.00 H new HETATM 0 H61 DLF B 24 -3.497 8.547 -6.446 1.00 0.00 H new HETATM 0 H5 DLF B 24 -3.121 6.321 -5.426 1.00 0.00 H new HETATM 0 H4 DLF B 24 -3.299 4.728 -7.141 1.00 0.00 H new HETATM 0 H3 DLF B 24 -1.797 4.036 -5.423 1.00 0.00 H new HETATM 0 H22 DLF B 24 0.548 5.396 -6.917 1.00 0.00 H new HETATM 0 H21 DLF B 24 0.668 4.571 -5.375 1.00 0.00 H new HETATM 0 H1 DLF B 24 0.502 7.078 -5.100 1.00 0.00 H new HETATM 603 C1 DPA A 25 -1.637 2.226 -7.250 1.00 0.00 C HETATM 604 C2 DPA A 25 -1.058 0.885 -7.579 1.00 0.00 C HETATM 605 C3 DPA A 25 0.411 0.714 -7.641 1.00 0.00 C HETATM 606 C4 DPA A 25 0.992 -0.489 -7.873 1.00 0.00 C HETATM 607 C5 DPA A 25 0.127 -1.679 -8.063 1.00 0.00 C HETATM 608 C6 DPA A 25 -1.213 -1.529 -8.018 1.00 0.00 C HETATM 609 C7 DPA A 25 -1.836 -0.210 -7.757 1.00 0.00 C HETATM 610 C8 DPA A 25 -4.276 -0.996 -7.823 1.00 0.00 C HETATM 611 C9 DPA A 25 -5.701 -0.501 -7.716 1.00 0.00 C HETATM 612 C10 DPA A 25 -6.690 -1.410 -7.855 1.00 0.00 C HETATM 613 C11 DPA A 25 3.232 0.386 -7.964 1.00 0.00 C HETATM 614 C12 DPA A 25 -0.047 -4.069 -8.326 1.00 0.00 C HETATM 615 C13 DPA A 25 -7.123 1.441 -7.175 1.00 0.00 C HETATM 616 N7 DPA A 25 -3.303 -0.080 -7.711 1.00 0.00 N HETATM 617 O1 DPA A 25 -2.802 2.403 -7.110 1.00 0.00 O HETATM 618 O4 DPA A 25 2.334 -0.704 -7.931 1.00 0.00 O HETATM 619 O5 DPA A 25 0.735 -2.878 -8.301 1.00 0.00 O HETATM 620 O8 DPA A 25 -4.091 -2.196 -7.990 1.00 0.00 O HETATM 621 O9 DPA A 25 -5.864 0.856 -7.478 1.00 0.00 O HETATM 0 H133 DPA A 25 -7.814 1.264 -7.999 1.00 0.00 H new HETATM 0 H132 DPA A 25 -7.522 0.995 -6.264 1.00 0.00 H new HETATM 0 H131 DPA A 25 -7.000 2.514 -7.029 1.00 0.00 H new HETATM 0 H123 DPA A 25 -0.536 -4.204 -7.361 1.00 0.00 H new HETATM 0 H122 DPA A 25 -0.802 -3.992 -9.108 1.00 0.00 H new HETATM 0 H121 DPA A 25 0.598 -4.924 -8.528 1.00 0.00 H new HETATM 0 H113 DPA A 25 3.030 0.998 -8.843 1.00 0.00 H new HETATM 0 H112 DPA A 25 3.105 0.989 -7.065 1.00 0.00 H new HETATM 0 H111 DPA A 25 4.255 0.013 -8.009 1.00 0.00 H new HETATM 0 H102 DPA A 25 -7.732 -1.097 -7.785 1.00 0.00 H new HETATM 0 H101 DPA A 25 -6.447 -2.457 -8.037 1.00 0.00 H new HETATM 0 HN7 DPA A 25 -3.637 0.873 -7.569 1.00 0.00 H new HETATM 0 H6 DPA A 25 -1.852 -2.398 -8.177 1.00 0.00 H new HETATM 0 H3 DPA A 25 1.048 1.586 -7.495 1.00 0.00 H new HETATM 636 C1 MTC B 26 -1.622 7.309 1.321 1.00 0.00 C HETATM 637 C2 MTC B 26 -1.280 5.866 1.459 1.00 0.00 C HETATM 638 C3 MTC B 26 -1.257 4.684 1.295 1.00 0.00 C HETATM 639 C4 MTC B 26 -1.416 3.370 0.735 1.00 0.00 C HETATM 640 C5 MTC B 26 -1.984 3.251 -0.481 1.00 0.00 C HETATM 641 C6 MTC B 26 -2.310 4.424 -1.283 1.00 0.00 C HETATM 642 C7 MTC B 26 -2.471 5.491 -1.797 1.00 0.00 C HETATM 643 C8 MTC B 26 -2.499 6.898 -2.263 1.00 0.00 C HETATM 644 C9 MTC B 26 -1.252 7.205 -3.146 1.00 0.00 C HETATM 645 C10 MTC B 26 -0.013 7.581 -2.264 1.00 0.00 C HETATM 646 C11 MTC B 26 -0.123 7.728 -0.754 1.00 0.00 C HETATM 647 C12 MTC B 26 -1.337 7.605 -0.161 1.00 0.00 C HETATM 648 C13 MTC B 26 -2.526 7.794 -1.037 1.00 0.00 C HETATM 649 C14 MTC B 26 -3.590 8.793 -0.747 1.00 0.00 C HETATM 650 C15 MTC B 26 -3.474 9.805 0.358 1.00 0.00 C HETATM 651 C16 MTC B 26 -1.079 14.559 -2.676 1.00 0.00 C HETATM 652 C17 MTC B 26 1.993 8.875 -0.032 1.00 0.00 C HETATM 653 C18 MTC B 26 3.938 9.812 0.963 1.00 0.00 C HETATM 654 O8 MTC B 26 -3.682 7.028 -3.003 1.00 0.00 O HETATM 655 O10 MTC B 26 1.068 7.691 -2.783 1.00 0.00 O HETATM 656 O71 MTC B 26 1.879 9.861 -0.686 1.00 0.00 O HETATM 657 O72 MTC B 26 3.037 8.702 0.741 1.00 0.00 O HETATM 658 N11 MTC B 26 1.152 7.856 0.020 1.00 0.00 N HETATM 659 S1 MTC B 26 -3.659 11.493 -0.336 1.00 0.00 S HETATM 660 S2 MTC B 26 -1.865 12.009 -1.125 1.00 0.00 S HETATM 661 S3 MTC B 26 -1.979 14.034 -1.173 1.00 0.00 S HETATM 0 H183 MTC B 26 4.355 10.138 0.010 1.00 0.00 H new HETATM 0 H182 MTC B 26 3.393 10.637 1.422 1.00 0.00 H new HETATM 0 H181 MTC B 26 4.746 9.498 1.625 1.00 0.00 H new HETATM 0 H163 MTC B 26 -1.107 15.646 -2.756 1.00 0.00 H new HETATM 0 H162 MTC B 26 -0.043 14.226 -2.615 1.00 0.00 H new HETATM 0 H161 MTC B 26 -1.550 14.119 -3.555 1.00 0.00 H new HETATM 0 H152 MTC B 26 -4.240 9.625 1.113 1.00 0.00 H new HETATM 0 H151 MTC B 26 -2.508 9.708 0.854 1.00 0.00 H new HETATM 0 H11A MTC B 26 -1.014 7.930 1.979 1.00 0.00 H new HETATM 0 HO8 MTC B 26 -3.758 7.945 -3.339 1.00 0.00 H new HETATM 0 H91 MTC B 26 -1.479 8.025 -3.828 1.00 0.00 H new HETATM 0 H5 MTC B 26 -2.204 2.258 -0.873 1.00 0.00 H new HETATM 0 H4 MTC B 26 -1.084 2.488 1.283 1.00 0.00 H new HETATM 0 H14 MTC B 26 -4.490 8.791 -1.361 1.00 0.00 H new HETATM 0 H11 MTC B 26 1.394 7.087 0.645 1.00 0.00 H new