USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 401 hydrogens (129 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 26 NBU H41 : B 26 NBU C4 : B 27 CCI CAN :(H bumps) USER MOD NoAdj-H: B 26 NBU H13 : B 26 NBU C1 : B 25 CCI O4D :(H bumps) USER MOD NoAdj-H: B 27 CCIHAN1 : B 27 CCI CAN : B 26 NBU C4 :(H bumps) USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.0867 (180deg=-0.0867) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.578 (180deg=-0.578) USER MOD Single : A 10 DT C7 :methyl 150:sc= -0.586 (180deg=-0.586) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 13 DG O5' : rot 180:sc= -0.0128 USER MOD Single : B 22 DT C7 :methyl 150:sc= -0.519 (180deg=-0.519) USER MOD Single : B 24 DC O3' : rot 180:sc= 0 USER MOD Single : B 25 CCI O2D : rot 158:sc= -0.216 USER MOD Single : B 25 CCI O3A : rot -90:sc= 1.26 USER MOD Single : B 25 CCI O3B : rot 148:sc= 1.29 USER MOD Single : B 27 CCI O2D : rot 87:sc= 1.27 USER MOD Single : B 27 CCI O3A : rot -170:sc= 0 USER MOD Single : B 27 CCI O3B : rot 48:sc= 0.528 USER MOD Single : B 27 CCI O4D : rot -150:sc= -0.515 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -6.119 16.196 -0.927 1.00 0.00 O ATOM 2 C5' DG A 1 -7.387 16.492 -0.385 1.00 0.00 C ATOM 3 C4' DG A 1 -8.180 15.203 -0.149 1.00 0.00 C ATOM 4 O4' DG A 1 -8.756 14.712 -1.345 1.00 0.00 O ATOM 5 C3' DG A 1 -7.354 14.043 0.409 1.00 0.00 C ATOM 6 O3' DG A 1 -6.215 14.380 1.180 1.00 0.00 O ATOM 7 C2' DG A 1 -7.128 13.157 -0.809 1.00 0.00 C ATOM 8 C1' DG A 1 -8.550 13.313 -1.334 1.00 0.00 C ATOM 9 N9 DG A 1 -8.971 12.623 -2.563 1.00 0.00 N ATOM 10 C8 DG A 1 -8.269 12.238 -3.670 1.00 0.00 C ATOM 11 N7 DG A 1 -9.009 11.719 -4.615 1.00 0.00 N ATOM 12 C5 DG A 1 -10.290 11.698 -4.059 1.00 0.00 C ATOM 13 C6 DG A 1 -11.534 11.202 -4.556 1.00 0.00 C ATOM 14 O6 DG A 1 -11.814 10.848 -5.700 1.00 0.00 O ATOM 15 N1 DG A 1 -12.521 11.146 -3.579 1.00 0.00 N ATOM 16 C2 DG A 1 -12.371 11.636 -2.307 1.00 0.00 C ATOM 17 N2 DG A 1 -13.387 11.550 -1.459 1.00 0.00 N ATOM 18 N3 DG A 1 -11.253 12.207 -1.863 1.00 0.00 N ATOM 19 C4 DG A 1 -10.250 12.182 -2.777 1.00 0.00 C ATOM 0 H5' DG A 1 -7.936 17.145 -1.063 1.00 0.00 H new ATOM 0 H5'' DG A 1 -7.271 17.033 0.554 1.00 0.00 H new ATOM 0 H4' DG A 1 -8.930 15.507 0.582 1.00 0.00 H new ATOM 0 H3' DG A 1 -7.882 13.513 1.202 1.00 0.00 H new ATOM 0 H2' DG A 1 -6.364 13.531 -1.490 1.00 0.00 H new ATOM 0 H2'' DG A 1 -6.860 12.130 -0.563 1.00 0.00 H new ATOM 0 HO5' DG A 1 -5.624 17.029 -1.074 1.00 0.00 H new ATOM 0 H1' DG A 1 -9.215 12.758 -0.672 1.00 0.00 H new ATOM 0 H8 DG A 1 -7.199 12.352 -3.757 1.00 0.00 H new ATOM 0 H1 DG A 1 -13.412 10.714 -3.823 1.00 0.00 H new ATOM 0 H21 DG A 1 -13.291 11.910 -0.510 1.00 0.00 H new ATOM 0 H22 DG A 1 -14.265 11.124 -1.756 1.00 0.00 H new ATOM 32 P DC A 2 -5.602 13.328 2.264 1.00 0.00 P ATOM 33 OP1 DC A 2 -5.003 14.111 3.366 1.00 0.00 O ATOM 34 OP2 DC A 2 -4.777 12.353 1.522 1.00 0.00 O ATOM 35 O5' DC A 2 -6.890 12.530 2.854 1.00 0.00 O ATOM 36 C5' DC A 2 -7.899 13.170 3.623 1.00 0.00 C ATOM 37 C4' DC A 2 -9.207 12.353 3.602 1.00 0.00 C ATOM 38 O4' DC A 2 -9.559 12.003 2.267 1.00 0.00 O ATOM 39 C3' DC A 2 -9.131 11.058 4.418 1.00 0.00 C ATOM 40 O3' DC A 2 -10.171 11.038 5.381 1.00 0.00 O ATOM 41 C2' DC A 2 -9.312 9.970 3.365 1.00 0.00 C ATOM 42 C1' DC A 2 -10.017 10.662 2.204 1.00 0.00 C ATOM 43 N1 DC A 2 -9.646 10.077 0.882 1.00 0.00 N ATOM 44 C2 DC A 2 -10.610 9.490 0.055 1.00 0.00 C ATOM 45 O2 DC A 2 -11.750 9.264 0.452 1.00 0.00 O ATOM 46 N3 DC A 2 -10.273 9.147 -1.227 1.00 0.00 N ATOM 47 C4 DC A 2 -9.018 9.330 -1.659 1.00 0.00 C ATOM 48 N4 DC A 2 -8.722 9.110 -2.934 1.00 0.00 N ATOM 49 C5 DC A 2 -7.994 9.837 -0.806 1.00 0.00 C ATOM 50 C6 DC A 2 -8.353 10.189 0.446 1.00 0.00 C ATOM 0 H5' DC A 2 -8.083 14.169 3.229 1.00 0.00 H new ATOM 0 H5'' DC A 2 -7.557 13.291 4.651 1.00 0.00 H new ATOM 0 H4' DC A 2 -9.958 13.001 4.054 1.00 0.00 H new ATOM 0 H3' DC A 2 -8.203 10.937 4.977 1.00 0.00 H new ATOM 0 H2' DC A 2 -8.352 9.557 3.055 1.00 0.00 H new ATOM 0 H2'' DC A 2 -9.906 9.142 3.751 1.00 0.00 H new ATOM 0 H1' DC A 2 -11.099 10.558 2.287 1.00 0.00 H new ATOM 0 H41 DC A 2 -7.768 9.248 -3.267 1.00 0.00 H new ATOM 0 H42 DC A 2 -9.449 8.803 -3.581 1.00 0.00 H new ATOM 0 H5 DC A 2 -6.974 9.935 -1.148 1.00 0.00 H new ATOM 0 H6 DC A 2 -7.601 10.569 1.122 1.00 0.00 H new ATOM 62 P DA A 3 -10.192 9.984 6.609 1.00 0.00 P ATOM 63 OP1 DA A 3 -11.119 10.495 7.641 1.00 0.00 O ATOM 64 OP2 DA A 3 -8.796 9.661 6.973 1.00 0.00 O ATOM 65 O5' DA A 3 -10.849 8.664 5.958 1.00 0.00 O ATOM 66 C5' DA A 3 -12.247 8.558 5.768 1.00 0.00 C ATOM 67 C4' DA A 3 -12.595 7.230 5.082 1.00 0.00 C ATOM 68 O4' DA A 3 -12.145 7.252 3.733 1.00 0.00 O ATOM 69 C3' DA A 3 -11.945 6.022 5.777 1.00 0.00 C ATOM 70 O3' DA A 3 -12.935 5.034 6.004 1.00 0.00 O ATOM 71 C2' DA A 3 -10.889 5.615 4.751 1.00 0.00 C ATOM 72 C1' DA A 3 -11.554 6.005 3.433 1.00 0.00 C ATOM 73 N9 DA A 3 -10.581 6.170 2.331 1.00 0.00 N ATOM 74 C8 DA A 3 -9.390 6.850 2.373 1.00 0.00 C ATOM 75 N7 DA A 3 -8.767 6.929 1.234 1.00 0.00 N ATOM 76 C5 DA A 3 -9.602 6.226 0.378 1.00 0.00 C ATOM 77 C6 DA A 3 -9.485 5.903 -0.976 1.00 0.00 C ATOM 78 N6 DA A 3 -8.408 6.299 -1.638 1.00 0.00 N ATOM 79 N1 DA A 3 -10.432 5.158 -1.578 1.00 0.00 N ATOM 80 C2 DA A 3 -11.453 4.754 -0.827 1.00 0.00 C ATOM 81 N3 DA A 3 -11.684 4.977 0.466 1.00 0.00 N ATOM 82 C4 DA A 3 -10.704 5.739 1.024 1.00 0.00 C ATOM 0 H5' DA A 3 -12.602 9.392 5.162 1.00 0.00 H new ATOM 0 H5'' DA A 3 -12.757 8.623 6.729 1.00 0.00 H new ATOM 0 H4' DA A 3 -13.678 7.123 5.138 1.00 0.00 H new ATOM 0 H3' DA A 3 -11.507 6.203 6.758 1.00 0.00 H new ATOM 0 H2' DA A 3 -9.948 6.143 4.904 1.00 0.00 H new ATOM 0 H2'' DA A 3 -10.667 4.549 4.796 1.00 0.00 H new ATOM 0 H1' DA A 3 -12.252 5.241 3.091 1.00 0.00 H new ATOM 0 H8 DA A 3 -9.000 7.286 3.281 1.00 0.00 H new ATOM 0 H61 DA A 3 -8.305 6.072 -2.627 1.00 0.00 H new ATOM 0 H62 DA A 3 -7.681 6.831 -1.158 1.00 0.00 H new ATOM 0 H2 DA A 3 -12.199 4.162 -1.337 1.00 0.00 H new ATOM 94 P DC A 4 -12.592 3.609 6.675 1.00 0.00 P ATOM 95 OP1 DC A 4 -13.782 3.124 7.421 1.00 0.00 O ATOM 96 OP2 DC A 4 -11.283 3.691 7.356 1.00 0.00 O ATOM 97 O5' DC A 4 -12.434 2.696 5.368 1.00 0.00 O ATOM 98 C5' DC A 4 -13.543 2.472 4.517 1.00 0.00 C ATOM 99 C4' DC A 4 -13.160 1.544 3.368 1.00 0.00 C ATOM 100 O4' DC A 4 -12.208 2.169 2.535 1.00 0.00 O ATOM 101 C3' DC A 4 -12.567 0.222 3.864 1.00 0.00 C ATOM 102 O3' DC A 4 -13.278 -0.842 3.268 1.00 0.00 O ATOM 103 C2' DC A 4 -11.120 0.314 3.391 1.00 0.00 C ATOM 104 C1' DC A 4 -11.243 1.213 2.159 1.00 0.00 C ATOM 105 N1 DC A 4 -10.001 1.953 1.820 1.00 0.00 N ATOM 106 C2 DC A 4 -9.530 1.970 0.507 1.00 0.00 C ATOM 107 O2 DC A 4 -10.024 1.258 -0.364 1.00 0.00 O ATOM 108 N3 DC A 4 -8.490 2.789 0.184 1.00 0.00 N ATOM 109 C4 DC A 4 -7.929 3.559 1.124 1.00 0.00 C ATOM 110 N4 DC A 4 -6.956 4.385 0.776 1.00 0.00 N ATOM 111 C5 DC A 4 -8.428 3.605 2.464 1.00 0.00 C ATOM 112 C6 DC A 4 -9.458 2.784 2.757 1.00 0.00 C ATOM 0 H5' DC A 4 -13.901 3.422 4.120 1.00 0.00 H new ATOM 0 H5'' DC A 4 -14.363 2.035 5.087 1.00 0.00 H new ATOM 0 H4' DC A 4 -14.077 1.332 2.818 1.00 0.00 H new ATOM 0 H3' DC A 4 -12.626 0.049 4.939 1.00 0.00 H new ATOM 0 H2' DC A 4 -10.470 0.749 4.150 1.00 0.00 H new ATOM 0 H2'' DC A 4 -10.709 -0.665 3.142 1.00 0.00 H new ATOM 0 H1' DC A 4 -11.483 0.604 1.287 1.00 0.00 H new ATOM 0 H41 DC A 4 -6.516 4.980 1.478 1.00 0.00 H new ATOM 0 H42 DC A 4 -6.646 4.427 -0.195 1.00 0.00 H new ATOM 0 H5 DC A 4 -8.001 4.265 3.205 1.00 0.00 H new ATOM 0 H6 DC A 4 -9.863 2.784 3.758 1.00 0.00 H new ATOM 124 P DC A 5 -12.986 -2.389 3.599 1.00 0.00 P ATOM 125 OP1 DC A 5 -14.280 -3.109 3.568 1.00 0.00 O ATOM 126 OP2 DC A 5 -12.132 -2.461 4.805 1.00 0.00 O ATOM 127 O5' DC A 5 -12.114 -2.825 2.322 1.00 0.00 O ATOM 128 C5' DC A 5 -12.689 -2.833 1.029 1.00 0.00 C ATOM 129 C4' DC A 5 -11.625 -3.097 -0.035 1.00 0.00 C ATOM 130 O4' DC A 5 -10.691 -2.038 -0.018 1.00 0.00 O ATOM 131 C3' DC A 5 -10.867 -4.416 0.163 1.00 0.00 C ATOM 132 O3' DC A 5 -11.104 -5.258 -0.953 1.00 0.00 O ATOM 133 C2' DC A 5 -9.415 -3.950 0.278 1.00 0.00 C ATOM 134 C1' DC A 5 -9.420 -2.552 -0.347 1.00 0.00 C ATOM 135 N1 DC A 5 -8.403 -1.651 0.254 1.00 0.00 N ATOM 136 C2 DC A 5 -7.468 -1.001 -0.549 1.00 0.00 C ATOM 137 O2 DC A 5 -7.339 -1.270 -1.740 1.00 0.00 O ATOM 138 N3 DC A 5 -6.649 -0.064 0.012 1.00 0.00 N ATOM 139 C4 DC A 5 -6.747 0.226 1.316 1.00 0.00 C ATOM 140 N4 DC A 5 -5.956 1.160 1.833 1.00 0.00 N ATOM 141 C5 DC A 5 -7.690 -0.431 2.164 1.00 0.00 C ATOM 142 C6 DC A 5 -8.486 -1.356 1.586 1.00 0.00 C ATOM 0 H5' DC A 5 -13.174 -1.876 0.836 1.00 0.00 H new ATOM 0 H5'' DC A 5 -13.462 -3.599 0.975 1.00 0.00 H new ATOM 0 H4' DC A 5 -12.148 -3.169 -0.989 1.00 0.00 H new ATOM 0 H3' DC A 5 -11.164 -5.005 1.031 1.00 0.00 H new ATOM 0 H2' DC A 5 -9.087 -3.921 1.317 1.00 0.00 H new ATOM 0 H2'' DC A 5 -8.738 -4.621 -0.251 1.00 0.00 H new ATOM 0 H1' DC A 5 -9.202 -2.611 -1.413 1.00 0.00 H new ATOM 0 H41 DC A 5 -6.020 1.391 2.824 1.00 0.00 H new ATOM 0 H42 DC A 5 -5.285 1.646 1.238 1.00 0.00 H new ATOM 0 H5 DC A 5 -7.763 -0.199 3.216 1.00 0.00 H new ATOM 0 H6 DC A 5 -9.210 -1.878 2.194 1.00 0.00 H new ATOM 154 P DT A 6 -10.544 -6.771 -1.037 1.00 0.00 P ATOM 155 OP1 DT A 6 -11.377 -7.521 -2.002 1.00 0.00 O ATOM 156 OP2 DT A 6 -10.354 -7.290 0.335 1.00 0.00 O ATOM 157 O5' DT A 6 -9.092 -6.546 -1.696 1.00 0.00 O ATOM 158 C5' DT A 6 -8.970 -6.097 -3.030 1.00 0.00 C ATOM 159 C4' DT A 6 -7.525 -5.691 -3.324 1.00 0.00 C ATOM 160 O4' DT A 6 -7.130 -4.601 -2.512 1.00 0.00 O ATOM 161 C3' DT A 6 -6.506 -6.822 -3.119 1.00 0.00 C ATOM 162 O3' DT A 6 -5.923 -7.157 -4.368 1.00 0.00 O ATOM 163 C2' DT A 6 -5.508 -6.195 -2.150 1.00 0.00 C ATOM 164 C1' DT A 6 -5.736 -4.695 -2.325 1.00 0.00 C ATOM 165 N1 DT A 6 -5.325 -3.896 -1.138 1.00 0.00 N ATOM 166 C2 DT A 6 -4.398 -2.867 -1.298 1.00 0.00 C ATOM 167 O2 DT A 6 -3.842 -2.611 -2.360 1.00 0.00 O ATOM 168 N3 DT A 6 -4.094 -2.140 -0.163 1.00 0.00 N ATOM 169 C4 DT A 6 -4.629 -2.319 1.092 1.00 0.00 C ATOM 170 C5 DT A 6 -5.572 -3.417 1.186 1.00 0.00 C ATOM 171 C6 DT A 6 -5.883 -4.151 0.091 1.00 0.00 C ATOM 172 O4 DT A 6 -4.312 -1.565 2.009 1.00 0.00 O ATOM 185 C7 DT A 6 -6.152 -3.784 2.539 1.00 0.00 C ATOM 0 H5' DT A 6 -9.634 -5.249 -3.198 1.00 0.00 H new ATOM 0 H5'' DT A 6 -9.280 -6.885 -3.716 1.00 0.00 H new ATOM 0 H4' DT A 6 -7.522 -5.419 -4.380 1.00 0.00 H new ATOM 0 H3' DT A 6 -6.917 -7.754 -2.731 1.00 0.00 H new ATOM 0 H2' DT A 6 -5.692 -6.512 -1.123 1.00 0.00 H new ATOM 0 H2'' DT A 6 -4.483 -6.476 -2.392 1.00 0.00 H new ATOM 0 H1' DT A 6 -5.142 -4.296 -3.147 1.00 0.00 H new ATOM 0 H3 DT A 6 -3.404 -1.396 -0.266 1.00 0.00 H new ATOM 0 H71 DT A 6 -7.152 -4.197 2.406 1.00 0.00 H new ATOM 0 H72 DT A 6 -5.514 -4.526 3.019 1.00 0.00 H new ATOM 0 H73 DT A 6 -6.207 -2.893 3.165 1.00 0.00 H new ATOM 0 H6 DT A 6 -6.591 -4.961 0.187 1.00 0.00 H new ATOM 186 P DT A 7 -4.872 -8.372 -4.544 1.00 0.00 P ATOM 187 OP1 DT A 7 -5.030 -8.923 -5.907 1.00 0.00 O ATOM 188 OP2 DT A 7 -4.979 -9.263 -3.368 1.00 0.00 O ATOM 189 O5' DT A 7 -3.448 -7.615 -4.469 1.00 0.00 O ATOM 190 C5' DT A 7 -3.034 -6.751 -5.511 1.00 0.00 C ATOM 191 C4' DT A 7 -1.704 -6.075 -5.172 1.00 0.00 C ATOM 192 O4' DT A 7 -1.878 -5.298 -4.003 1.00 0.00 O ATOM 193 C3' DT A 7 -0.568 -7.078 -4.919 1.00 0.00 C ATOM 194 O3' DT A 7 0.573 -6.687 -5.666 1.00 0.00 O ATOM 195 C2' DT A 7 -0.358 -6.940 -3.416 1.00 0.00 C ATOM 196 C1' DT A 7 -0.749 -5.482 -3.180 1.00 0.00 C ATOM 197 N1 DT A 7 -1.126 -5.178 -1.775 1.00 0.00 N ATOM 198 C2 DT A 7 -0.568 -4.061 -1.158 1.00 0.00 C ATOM 199 O2 DT A 7 0.302 -3.363 -1.673 1.00 0.00 O ATOM 200 N3 DT A 7 -1.031 -3.774 0.109 1.00 0.00 N ATOM 201 C4 DT A 7 -1.986 -4.479 0.811 1.00 0.00 C ATOM 202 C5 DT A 7 -2.491 -5.651 0.123 1.00 0.00 C ATOM 203 C6 DT A 7 -2.061 -5.947 -1.128 1.00 0.00 C ATOM 204 O4 DT A 7 -2.358 -4.083 1.910 1.00 0.00 O ATOM 217 C7 DT A 7 -3.450 -6.586 0.840 1.00 0.00 C ATOM 0 H5' DT A 7 -3.797 -5.992 -5.683 1.00 0.00 H new ATOM 0 H5'' DT A 7 -2.932 -7.316 -6.437 1.00 0.00 H new ATOM 0 H4' DT A 7 -1.422 -5.466 -6.031 1.00 0.00 H new ATOM 0 H3' DT A 7 -0.773 -8.106 -5.217 1.00 0.00 H new ATOM 0 H2' DT A 7 -0.986 -7.629 -2.850 1.00 0.00 H new ATOM 0 H2'' DT A 7 0.674 -7.139 -3.127 1.00 0.00 H new ATOM 0 H1' DT A 7 0.095 -4.828 -3.399 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.627 -2.960 0.573 1.00 0.00 H new ATOM 0 H71 DT A 7 -4.115 -7.052 0.113 1.00 0.00 H new ATOM 0 H72 DT A 7 -2.884 -7.358 1.361 1.00 0.00 H new ATOM 0 H73 DT A 7 -4.040 -6.020 1.561 1.00 0.00 H new ATOM 0 H6 DT A 7 -2.466 -6.813 -1.630 1.00 0.00 H new ATOM 218 P DC A 8 1.884 -7.623 -5.802 1.00 0.00 P ATOM 219 OP1 DC A 8 2.434 -7.416 -7.165 1.00 0.00 O ATOM 220 OP2 DC A 8 1.538 -8.989 -5.354 1.00 0.00 O ATOM 221 O5' DC A 8 2.913 -6.989 -4.736 1.00 0.00 O ATOM 222 C5' DC A 8 3.629 -5.801 -5.021 1.00 0.00 C ATOM 223 C4' DC A 8 4.392 -5.307 -3.790 1.00 0.00 C ATOM 224 O4' DC A 8 3.472 -5.057 -2.743 1.00 0.00 O ATOM 225 C3' DC A 8 5.442 -6.306 -3.278 1.00 0.00 C ATOM 226 O3' DC A 8 6.713 -5.677 -3.270 1.00 0.00 O ATOM 227 C2' DC A 8 4.925 -6.635 -1.880 1.00 0.00 C ATOM 228 C1' DC A 8 4.096 -5.398 -1.524 1.00 0.00 C ATOM 229 N1 DC A 8 3.043 -5.678 -0.510 1.00 0.00 N ATOM 230 C2 DC A 8 2.941 -4.885 0.630 1.00 0.00 C ATOM 231 O2 DC A 8 3.750 -3.988 0.857 1.00 0.00 O ATOM 232 N3 DC A 8 1.930 -5.119 1.519 1.00 0.00 N ATOM 233 C4 DC A 8 1.043 -6.092 1.282 1.00 0.00 C ATOM 234 N4 DC A 8 0.081 -6.324 2.163 1.00 0.00 N ATOM 235 C5 DC A 8 1.099 -6.895 0.101 1.00 0.00 C ATOM 236 C6 DC A 8 2.113 -6.649 -0.755 1.00 0.00 C ATOM 0 H5' DC A 8 2.938 -5.029 -5.358 1.00 0.00 H new ATOM 0 H5'' DC A 8 4.328 -5.981 -5.837 1.00 0.00 H new ATOM 0 H4' DC A 8 4.920 -4.403 -4.094 1.00 0.00 H new ATOM 0 H3' DC A 8 5.571 -7.205 -3.881 1.00 0.00 H new ATOM 0 H2' DC A 8 4.320 -7.542 -1.876 1.00 0.00 H new ATOM 0 H2'' DC A 8 5.740 -6.792 -1.174 1.00 0.00 H new ATOM 0 H1' DC A 8 4.725 -4.618 -1.095 1.00 0.00 H new ATOM 0 H41 DC A 8 -0.600 -7.064 1.991 1.00 0.00 H new ATOM 0 H42 DC A 8 0.022 -5.763 3.013 1.00 0.00 H new ATOM 0 H5 DC A 8 0.365 -7.662 -0.097 1.00 0.00 H new ATOM 0 H6 DC A 8 2.192 -7.236 -1.658 1.00 0.00 H new ATOM 248 P DC A 9 8.056 -6.419 -2.763 1.00 0.00 P ATOM 249 OP1 DC A 9 9.192 -5.938 -3.579 1.00 0.00 O ATOM 250 OP2 DC A 9 7.783 -7.869 -2.655 1.00 0.00 O ATOM 251 O5' DC A 9 8.210 -5.818 -1.275 1.00 0.00 O ATOM 252 C5' DC A 9 8.505 -4.445 -1.091 1.00 0.00 C ATOM 253 C4' DC A 9 8.436 -4.041 0.381 1.00 0.00 C ATOM 254 O4' DC A 9 7.148 -4.342 0.886 1.00 0.00 O ATOM 255 C3' DC A 9 9.480 -4.736 1.268 1.00 0.00 C ATOM 256 O3' DC A 9 10.259 -3.738 1.912 1.00 0.00 O ATOM 257 C2' DC A 9 8.610 -5.542 2.228 1.00 0.00 C ATOM 258 C1' DC A 9 7.278 -4.798 2.216 1.00 0.00 C ATOM 259 N1 DC A 9 6.140 -5.705 2.516 1.00 0.00 N ATOM 260 C2 DC A 9 5.306 -5.451 3.600 1.00 0.00 C ATOM 261 O2 DC A 9 5.547 -4.552 4.397 1.00 0.00 O ATOM 262 N3 DC A 9 4.210 -6.238 3.800 1.00 0.00 N ATOM 263 C4 DC A 9 3.951 -7.250 2.965 1.00 0.00 C ATOM 264 N4 DC A 9 2.862 -7.980 3.177 1.00 0.00 N ATOM 265 C5 DC A 9 4.793 -7.540 1.845 1.00 0.00 C ATOM 266 C6 DC A 9 5.872 -6.740 1.667 1.00 0.00 C ATOM 0 H5' DC A 9 7.802 -3.842 -1.666 1.00 0.00 H new ATOM 0 H5'' DC A 9 9.501 -4.232 -1.480 1.00 0.00 H new ATOM 0 H4' DC A 9 8.649 -2.972 0.415 1.00 0.00 H new ATOM 0 H3' DC A 9 10.196 -5.376 0.752 1.00 0.00 H new ATOM 0 H2' DC A 9 8.496 -6.574 1.896 1.00 0.00 H new ATOM 0 H2'' DC A 9 9.042 -5.575 3.228 1.00 0.00 H new ATOM 0 H1' DC A 9 7.263 -4.006 2.964 1.00 0.00 H new ATOM 0 H41 DC A 9 2.640 -8.758 2.555 1.00 0.00 H new ATOM 0 H42 DC A 9 2.247 -7.763 3.961 1.00 0.00 H new ATOM 0 H5 DC A 9 4.579 -8.358 1.173 1.00 0.00 H new ATOM 0 H6 DC A 9 6.535 -6.925 0.835 1.00 0.00 H new ATOM 278 P DT A 10 11.484 -4.072 2.910 1.00 0.00 P ATOM 279 OP1 DT A 10 12.577 -3.113 2.639 1.00 0.00 O ATOM 280 OP2 DT A 10 11.751 -5.526 2.863 1.00 0.00 O ATOM 281 O5' DT A 10 10.857 -3.729 4.354 1.00 0.00 O ATOM 282 C5' DT A 10 10.521 -2.397 4.702 1.00 0.00 C ATOM 283 C4' DT A 10 9.706 -2.359 5.998 1.00 0.00 C ATOM 284 O4' DT A 10 8.642 -3.289 5.893 1.00 0.00 O ATOM 285 C3' DT A 10 10.524 -2.726 7.242 1.00 0.00 C ATOM 286 O3' DT A 10 10.220 -1.791 8.268 1.00 0.00 O ATOM 287 C2' DT A 10 9.999 -4.117 7.566 1.00 0.00 C ATOM 288 C1' DT A 10 8.549 -3.997 7.108 1.00 0.00 C ATOM 289 N1 DT A 10 7.905 -5.309 6.841 1.00 0.00 N ATOM 290 C2 DT A 10 6.678 -5.599 7.431 1.00 0.00 C ATOM 291 O2 DT A 10 6.176 -4.914 8.320 1.00 0.00 O ATOM 292 N3 DT A 10 6.018 -6.721 6.967 1.00 0.00 N ATOM 293 C4 DT A 10 6.490 -7.589 6.005 1.00 0.00 C ATOM 294 C5 DT A 10 7.811 -7.274 5.498 1.00 0.00 C ATOM 295 C6 DT A 10 8.461 -6.162 5.921 1.00 0.00 C ATOM 296 O4 DT A 10 5.784 -8.511 5.609 1.00 0.00 O ATOM 309 C7 DT A 10 8.457 -8.203 4.486 1.00 0.00 C ATOM 0 H5' DT A 10 9.949 -1.939 3.895 1.00 0.00 H new ATOM 0 H5'' DT A 10 11.430 -1.808 4.822 1.00 0.00 H new ATOM 0 H4' DT A 10 9.355 -1.334 6.119 1.00 0.00 H new ATOM 0 H3' DT A 10 11.607 -2.709 7.119 1.00 0.00 H new ATOM 0 H2' DT A 10 10.538 -4.897 7.028 1.00 0.00 H new ATOM 0 H2'' DT A 10 10.078 -4.350 8.628 1.00 0.00 H new ATOM 0 H1' DT A 10 7.943 -3.520 7.878 1.00 0.00 H new ATOM 0 H3 DT A 10 5.104 -6.924 7.371 1.00 0.00 H new ATOM 0 H71 DT A 10 9.118 -7.630 3.836 1.00 0.00 H new ATOM 0 H72 DT A 10 9.034 -8.966 5.009 1.00 0.00 H new ATOM 0 H73 DT A 10 7.683 -8.682 3.886 1.00 0.00 H new ATOM 0 H6 DT A 10 9.441 -5.942 5.524 1.00 0.00 H new ATOM 310 P DG A 11 10.948 -1.811 9.705 1.00 0.00 P ATOM 311 OP1 DG A 11 11.044 -0.417 10.192 1.00 0.00 O ATOM 312 OP2 DG A 11 12.167 -2.646 9.604 1.00 0.00 O ATOM 313 O5' DG A 11 9.882 -2.602 10.626 1.00 0.00 O ATOM 314 C5' DG A 11 8.696 -1.968 11.070 1.00 0.00 C ATOM 315 C4' DG A 11 7.855 -2.908 11.945 1.00 0.00 C ATOM 316 O4' DG A 11 7.377 -4.003 11.178 1.00 0.00 O ATOM 317 C3' DG A 11 8.663 -3.472 13.120 1.00 0.00 C ATOM 318 O3' DG A 11 7.881 -3.381 14.298 1.00 0.00 O ATOM 319 C2' DG A 11 8.885 -4.911 12.665 1.00 0.00 C ATOM 320 C1' DG A 11 7.591 -5.199 11.909 1.00 0.00 C ATOM 321 N9 DG A 11 7.711 -6.340 10.975 1.00 0.00 N ATOM 322 C8 DG A 11 8.690 -6.548 10.043 1.00 0.00 C ATOM 323 N7 DG A 11 8.465 -7.539 9.229 1.00 0.00 N ATOM 324 C5 DG A 11 7.259 -8.064 9.684 1.00 0.00 C ATOM 325 C6 DG A 11 6.507 -9.180 9.210 1.00 0.00 C ATOM 326 O6 DG A 11 6.712 -9.864 8.211 1.00 0.00 O ATOM 327 N1 DG A 11 5.429 -9.486 10.020 1.00 0.00 N ATOM 328 C2 DG A 11 5.079 -8.774 11.139 1.00 0.00 C ATOM 329 N2 DG A 11 4.018 -9.183 11.828 1.00 0.00 N ATOM 330 N3 DG A 11 5.741 -7.689 11.562 1.00 0.00 N ATOM 331 C4 DG A 11 6.819 -7.380 10.792 1.00 0.00 C ATOM 0 H5' DG A 11 8.109 -1.646 10.210 1.00 0.00 H new ATOM 0 H5'' DG A 11 8.950 -1.072 11.636 1.00 0.00 H new ATOM 0 H4' DG A 11 7.025 -2.316 12.332 1.00 0.00 H new ATOM 0 H3' DG A 11 9.597 -2.960 13.353 1.00 0.00 H new ATOM 0 H2' DG A 11 9.763 -5.008 12.026 1.00 0.00 H new ATOM 0 H2'' DG A 11 9.027 -5.589 13.506 1.00 0.00 H new ATOM 0 H1' DG A 11 6.782 -5.470 12.587 1.00 0.00 H new ATOM 0 H8 DG A 11 9.580 -5.938 9.987 1.00 0.00 H new ATOM 0 H1 DG A 11 4.857 -10.293 9.769 1.00 0.00 H new ATOM 0 H21 DG A 11 3.728 -8.678 12.666 1.00 0.00 H new ATOM 0 H22 DG A 11 3.494 -10.002 11.519 1.00 0.00 H new ATOM 343 P DC A 12 8.465 -3.758 15.756 1.00 0.00 P ATOM 344 OP1 DC A 12 7.893 -2.817 16.746 1.00 0.00 O ATOM 345 OP2 DC A 12 9.932 -3.924 15.657 1.00 0.00 O ATOM 346 O5' DC A 12 7.819 -5.209 16.007 1.00 0.00 O ATOM 347 C5' DC A 12 6.442 -5.347 16.303 1.00 0.00 C ATOM 348 C4' DC A 12 6.063 -6.830 16.335 1.00 0.00 C ATOM 349 O4' DC A 12 6.355 -7.400 15.078 1.00 0.00 O ATOM 350 C3' DC A 12 6.836 -7.643 17.383 1.00 0.00 C ATOM 351 O3' DC A 12 5.963 -8.151 18.372 1.00 0.00 O ATOM 352 C2' DC A 12 7.457 -8.793 16.603 1.00 0.00 C ATOM 353 C1' DC A 12 6.704 -8.753 15.273 1.00 0.00 C ATOM 354 N1 DC A 12 7.562 -9.171 14.137 1.00 0.00 N ATOM 355 C2 DC A 12 7.192 -10.264 13.366 1.00 0.00 C ATOM 356 O2 DC A 12 6.250 -10.980 13.695 1.00 0.00 O ATOM 357 N3 DC A 12 7.893 -10.552 12.229 1.00 0.00 N ATOM 358 C4 DC A 12 8.942 -9.798 11.884 1.00 0.00 C ATOM 359 N4 DC A 12 9.554 -10.061 10.737 1.00 0.00 N ATOM 360 C5 DC A 12 9.361 -8.678 12.674 1.00 0.00 C ATOM 361 C6 DC A 12 8.641 -8.409 13.785 1.00 0.00 C ATOM 0 H5' DC A 12 5.846 -4.826 15.554 1.00 0.00 H new ATOM 0 H5'' DC A 12 6.220 -4.885 17.265 1.00 0.00 H new ATOM 0 H4' DC A 12 5.004 -6.869 16.589 1.00 0.00 H new ATOM 0 H3' DC A 12 7.578 -7.034 17.899 1.00 0.00 H new ATOM 0 H2' DC A 12 8.529 -8.654 16.464 1.00 0.00 H new ATOM 0 H2'' DC A 12 7.323 -9.746 17.114 1.00 0.00 H new ATOM 0 HO3' DC A 12 6.477 -8.667 19.028 1.00 0.00 H new ATOM 0 H1' DC A 12 5.849 -9.429 15.308 1.00 0.00 H new ATOM 0 H41 DC A 12 10.357 -9.503 10.448 1.00 0.00 H new ATOM 0 H42 DC A 12 9.222 -10.822 10.144 1.00 0.00 H new ATOM 0 H5 DC A 12 10.213 -8.077 12.394 1.00 0.00 H new ATOM 0 H6 DC A 12 8.924 -7.574 14.409 1.00 0.00 H new TER 374 DC A 12 ATOM 375 O5' DG B 13 3.078 -19.144 6.405 1.00 0.00 O ATOM 376 C5' DG B 13 2.968 -19.081 7.810 1.00 0.00 C ATOM 377 C4' DG B 13 2.885 -17.619 8.260 1.00 0.00 C ATOM 378 O4' DG B 13 4.147 -16.982 8.263 1.00 0.00 O ATOM 379 C3' DG B 13 1.959 -16.738 7.414 1.00 0.00 C ATOM 380 O3' DG B 13 0.955 -17.395 6.666 1.00 0.00 O ATOM 381 C2' DG B 13 2.934 -15.856 6.647 1.00 0.00 C ATOM 382 C1' DG B 13 3.892 -15.667 7.823 1.00 0.00 C ATOM 383 N9 DG B 13 5.082 -14.805 7.700 1.00 0.00 N ATOM 384 C8 DG B 13 5.852 -14.468 6.621 1.00 0.00 C ATOM 385 N7 DG B 13 6.864 -13.691 6.911 1.00 0.00 N ATOM 386 C5 DG B 13 6.725 -13.458 8.282 1.00 0.00 C ATOM 387 C6 DG B 13 7.473 -12.639 9.187 1.00 0.00 C ATOM 388 O6 DG B 13 8.549 -12.081 8.997 1.00 0.00 O ATOM 389 N1 DG B 13 6.854 -12.500 10.423 1.00 0.00 N ATOM 390 C2 DG B 13 5.702 -13.152 10.785 1.00 0.00 C ATOM 391 N2 DG B 13 5.189 -12.942 11.989 1.00 0.00 N ATOM 392 N3 DG B 13 5.050 -13.991 9.981 1.00 0.00 N ATOM 393 C4 DG B 13 5.599 -14.085 8.745 1.00 0.00 C ATOM 0 H5' DG B 13 3.828 -19.565 8.273 1.00 0.00 H new ATOM 0 H5'' DG B 13 2.081 -19.623 8.139 1.00 0.00 H new ATOM 0 H4' DG B 13 2.476 -17.704 9.267 1.00 0.00 H new ATOM 0 H3' DG B 13 1.276 -16.151 8.028 1.00 0.00 H new ATOM 0 H2' DG B 13 3.387 -16.349 5.787 1.00 0.00 H new ATOM 0 H2'' DG B 13 2.494 -14.926 6.286 1.00 0.00 H new ATOM 0 HO5' DG B 13 3.132 -20.081 6.123 1.00 0.00 H new ATOM 0 H1' DG B 13 3.402 -15.027 8.557 1.00 0.00 H new ATOM 0 H8 DG B 13 5.643 -14.813 5.619 1.00 0.00 H new ATOM 0 H1 DG B 13 7.283 -11.874 11.104 1.00 0.00 H new ATOM 0 H21 DG B 13 4.333 -13.421 12.269 1.00 0.00 H new ATOM 0 H22 DG B 13 5.650 -12.301 12.635 1.00 0.00 H new ATOM 406 P DC B 14 -0.402 -16.610 6.231 1.00 0.00 P ATOM 407 OP1 DC B 14 -1.485 -17.609 6.107 1.00 0.00 O ATOM 408 OP2 DC B 14 -0.068 -15.737 5.084 1.00 0.00 O ATOM 409 O5' DC B 14 -0.743 -15.643 7.492 1.00 0.00 O ATOM 410 C5' DC B 14 -1.066 -16.157 8.775 1.00 0.00 C ATOM 411 C4' DC B 14 -0.805 -15.102 9.869 1.00 0.00 C ATOM 412 O4' DC B 14 0.504 -14.562 9.750 1.00 0.00 O ATOM 413 C3' DC B 14 -1.802 -13.936 9.848 1.00 0.00 C ATOM 414 O3' DC B 14 -2.379 -13.808 11.140 1.00 0.00 O ATOM 415 C2' DC B 14 -0.928 -12.742 9.485 1.00 0.00 C ATOM 416 C1' DC B 14 0.474 -13.155 9.926 1.00 0.00 C ATOM 417 N1 DC B 14 1.537 -12.541 9.078 1.00 0.00 N ATOM 418 C2 DC B 14 2.527 -11.740 9.647 1.00 0.00 C ATOM 419 O2 DC B 14 2.471 -11.384 10.822 1.00 0.00 O ATOM 420 N3 DC B 14 3.589 -11.340 8.883 1.00 0.00 N ATOM 421 C4 DC B 14 3.653 -11.699 7.595 1.00 0.00 C ATOM 422 N4 DC B 14 4.749 -11.430 6.896 1.00 0.00 N ATOM 423 C5 DC B 14 2.626 -12.466 6.973 1.00 0.00 C ATOM 424 C6 DC B 14 1.593 -12.858 7.750 1.00 0.00 C ATOM 0 H5' DC B 14 -0.472 -17.049 8.974 1.00 0.00 H new ATOM 0 H5'' DC B 14 -2.113 -16.460 8.798 1.00 0.00 H new ATOM 0 H4' DC B 14 -0.924 -15.635 10.812 1.00 0.00 H new ATOM 0 H3' DC B 14 -2.633 -14.052 9.152 1.00 0.00 H new ATOM 0 H2' DC B 14 -0.964 -12.533 8.416 1.00 0.00 H new ATOM 0 H2'' DC B 14 -1.256 -11.838 9.998 1.00 0.00 H new ATOM 0 H1' DC B 14 0.667 -12.832 10.949 1.00 0.00 H new ATOM 0 H41 DC B 14 4.807 -11.700 5.914 1.00 0.00 H new ATOM 0 H42 DC B 14 5.533 -10.953 7.341 1.00 0.00 H new ATOM 0 H5 DC B 14 2.672 -12.723 5.925 1.00 0.00 H new ATOM 0 H6 DC B 14 0.793 -13.435 7.311 1.00 0.00 H new ATOM 436 P DA B 15 -3.638 -12.841 11.440 1.00 0.00 P ATOM 437 OP1 DA B 15 -4.251 -13.272 12.717 1.00 0.00 O ATOM 438 OP2 DA B 15 -4.464 -12.761 10.215 1.00 0.00 O ATOM 439 O5' DA B 15 -2.944 -11.406 11.679 1.00 0.00 O ATOM 440 C5' DA B 15 -2.233 -11.125 12.871 1.00 0.00 C ATOM 441 C4' DA B 15 -1.572 -9.744 12.789 1.00 0.00 C ATOM 442 O4' DA B 15 -0.535 -9.752 11.819 1.00 0.00 O ATOM 443 C3' DA B 15 -2.564 -8.637 12.408 1.00 0.00 C ATOM 444 O3' DA B 15 -2.516 -7.630 13.406 1.00 0.00 O ATOM 445 C2' DA B 15 -2.032 -8.181 11.051 1.00 0.00 C ATOM 446 C1' DA B 15 -0.545 -8.510 11.147 1.00 0.00 C ATOM 447 N9 DA B 15 0.096 -8.683 9.824 1.00 0.00 N ATOM 448 C8 DA B 15 -0.309 -9.498 8.800 1.00 0.00 C ATOM 449 N7 DA B 15 0.546 -9.610 7.821 1.00 0.00 N ATOM 450 C5 DA B 15 1.569 -8.754 8.206 1.00 0.00 C ATOM 451 C6 DA B 15 2.767 -8.376 7.585 1.00 0.00 C ATOM 452 N6 DA B 15 3.091 -8.835 6.380 1.00 0.00 N ATOM 453 N1 DA B 15 3.560 -7.469 8.177 1.00 0.00 N ATOM 454 C2 DA B 15 3.178 -6.968 9.350 1.00 0.00 C ATOM 455 N3 DA B 15 2.083 -7.250 10.048 1.00 0.00 N ATOM 456 C4 DA B 15 1.302 -8.163 9.411 1.00 0.00 C ATOM 0 H5' DA B 15 -1.473 -11.889 13.037 1.00 0.00 H new ATOM 0 H5'' DA B 15 -2.912 -11.160 13.723 1.00 0.00 H new ATOM 0 H4' DA B 15 -1.179 -9.534 13.784 1.00 0.00 H new ATOM 0 H3' DA B 15 -3.612 -8.929 12.344 1.00 0.00 H new ATOM 0 H2' DA B 15 -2.512 -8.712 10.229 1.00 0.00 H new ATOM 0 H2'' DA B 15 -2.202 -7.117 10.886 1.00 0.00 H new ATOM 0 H1' DA B 15 0.004 -7.708 11.641 1.00 0.00 H new ATOM 0 H8 DA B 15 -1.261 -10.008 8.803 1.00 0.00 H new ATOM 0 H61 DA B 15 3.967 -8.549 5.944 1.00 0.00 H new ATOM 0 H62 DA B 15 2.463 -9.474 5.892 1.00 0.00 H new ATOM 0 H2 DA B 15 3.843 -6.240 9.790 1.00 0.00 H new ATOM 468 P DG B 16 -3.436 -6.303 13.349 1.00 0.00 P ATOM 469 OP1 DG B 16 -3.694 -5.856 14.734 1.00 0.00 O ATOM 470 OP2 DG B 16 -4.567 -6.545 12.424 1.00 0.00 O ATOM 471 O5' DG B 16 -2.430 -5.256 12.662 1.00 0.00 O ATOM 472 C5' DG B 16 -1.276 -4.808 13.346 1.00 0.00 C ATOM 473 C4' DG B 16 -0.395 -3.978 12.408 1.00 0.00 C ATOM 474 O4' DG B 16 0.027 -4.782 11.319 1.00 0.00 O ATOM 475 C3' DG B 16 -1.122 -2.751 11.838 1.00 0.00 C ATOM 476 O3' DG B 16 -0.357 -1.590 12.122 1.00 0.00 O ATOM 477 C2' DG B 16 -1.175 -3.075 10.349 1.00 0.00 C ATOM 478 C1' DG B 16 0.050 -3.965 10.169 1.00 0.00 C ATOM 479 N9 DG B 16 -0.043 -4.791 8.950 1.00 0.00 N ATOM 480 C8 DG B 16 -1.047 -5.644 8.584 1.00 0.00 C ATOM 481 N7 DG B 16 -0.825 -6.301 7.479 1.00 0.00 N ATOM 482 C5 DG B 16 0.417 -5.830 7.063 1.00 0.00 C ATOM 483 C6 DG B 16 1.205 -6.168 5.922 1.00 0.00 C ATOM 484 O6 DG B 16 0.950 -6.971 5.026 1.00 0.00 O ATOM 485 N1 DG B 16 2.410 -5.485 5.880 1.00 0.00 N ATOM 486 C2 DG B 16 2.825 -4.601 6.844 1.00 0.00 C ATOM 487 N2 DG B 16 4.020 -4.051 6.714 1.00 0.00 N ATOM 488 N3 DG B 16 2.101 -4.273 7.916 1.00 0.00 N ATOM 489 C4 DG B 16 0.904 -4.913 7.964 1.00 0.00 C ATOM 0 H5' DG B 16 -0.714 -5.662 13.724 1.00 0.00 H new ATOM 0 H5'' DG B 16 -1.566 -4.209 14.210 1.00 0.00 H new ATOM 0 H4' DG B 16 0.450 -3.629 13.001 1.00 0.00 H new ATOM 0 H3' DG B 16 -2.113 -2.555 12.249 1.00 0.00 H new ATOM 0 H2' DG B 16 -2.096 -3.590 10.077 1.00 0.00 H new ATOM 0 H2'' DG B 16 -1.119 -2.176 9.735 1.00 0.00 H new ATOM 0 H1' DG B 16 0.968 -3.388 10.058 1.00 0.00 H new ATOM 0 H8 DG B 16 -1.951 -5.764 9.163 1.00 0.00 H new ATOM 0 H1 DG B 16 3.026 -5.649 5.084 1.00 0.00 H new ATOM 0 H21 DG B 16 4.356 -3.390 7.414 1.00 0.00 H new ATOM 0 H22 DG B 16 4.606 -4.288 5.913 1.00 0.00 H new ATOM 501 P DG B 17 -0.867 -0.098 11.771 1.00 0.00 P ATOM 502 OP1 DG B 17 -0.606 0.774 12.937 1.00 0.00 O ATOM 503 OP2 DG B 17 -2.232 -0.180 11.200 1.00 0.00 O ATOM 504 O5' DG B 17 0.146 0.322 10.590 1.00 0.00 O ATOM 505 C5' DG B 17 1.520 0.525 10.863 1.00 0.00 C ATOM 506 C4' DG B 17 2.306 0.815 9.583 1.00 0.00 C ATOM 507 O4' DG B 17 2.163 -0.283 8.693 1.00 0.00 O ATOM 508 C3' DG B 17 1.829 2.073 8.849 1.00 0.00 C ATOM 509 O3' DG B 17 2.978 2.777 8.411 1.00 0.00 O ATOM 510 C2' DG B 17 1.025 1.486 7.697 1.00 0.00 C ATOM 511 C1' DG B 17 1.795 0.200 7.415 1.00 0.00 C ATOM 512 N9 DG B 17 0.963 -0.820 6.748 1.00 0.00 N ATOM 513 C8 DG B 17 -0.257 -1.296 7.145 1.00 0.00 C ATOM 514 N7 DG B 17 -0.690 -2.312 6.452 1.00 0.00 N ATOM 515 C5 DG B 17 0.315 -2.513 5.507 1.00 0.00 C ATOM 516 C6 DG B 17 0.421 -3.470 4.455 1.00 0.00 C ATOM 517 O6 DG B 17 -0.359 -4.371 4.165 1.00 0.00 O ATOM 518 N1 DG B 17 1.574 -3.318 3.702 1.00 0.00 N ATOM 519 C2 DG B 17 2.493 -2.322 3.900 1.00 0.00 C ATOM 520 N2 DG B 17 3.433 -2.154 2.981 1.00 0.00 N ATOM 521 N3 DG B 17 2.405 -1.413 4.873 1.00 0.00 N ATOM 522 C4 DG B 17 1.308 -1.576 5.655 1.00 0.00 C ATOM 0 H5' DG B 17 1.930 -0.359 11.351 1.00 0.00 H new ATOM 0 H5'' DG B 17 1.635 1.356 11.559 1.00 0.00 H new ATOM 0 H4' DG B 17 3.342 0.973 9.884 1.00 0.00 H new ATOM 0 H3' DG B 17 1.238 2.779 9.433 1.00 0.00 H new ATOM 0 H2' DG B 17 -0.010 1.292 7.976 1.00 0.00 H new ATOM 0 H2'' DG B 17 1.003 2.149 6.832 1.00 0.00 H new ATOM 0 H1' DG B 17 2.638 0.397 6.752 1.00 0.00 H new ATOM 0 H8 DG B 17 -0.815 -0.866 7.964 1.00 0.00 H new ATOM 0 H1 DG B 17 1.749 -3.989 2.954 1.00 0.00 H new ATOM 0 H21 DG B 17 4.134 -1.422 3.096 1.00 0.00 H new ATOM 0 H22 DG B 17 3.456 -2.757 2.159 1.00 0.00 H new ATOM 534 P DA B 18 2.897 4.187 7.631 1.00 0.00 P ATOM 535 OP1 DA B 18 3.993 5.050 8.132 1.00 0.00 O ATOM 536 OP2 DA B 18 1.500 4.672 7.648 1.00 0.00 O ATOM 537 O5' DA B 18 3.266 3.745 6.128 1.00 0.00 O ATOM 538 C5' DA B 18 4.575 3.312 5.795 1.00 0.00 C ATOM 539 C4' DA B 18 4.678 3.057 4.287 1.00 0.00 C ATOM 540 O4' DA B 18 3.814 1.996 3.935 1.00 0.00 O ATOM 541 C3' DA B 18 4.292 4.283 3.449 1.00 0.00 C ATOM 542 O3' DA B 18 5.198 4.369 2.359 1.00 0.00 O ATOM 543 C2' DA B 18 2.873 3.944 3.017 1.00 0.00 C ATOM 544 C1' DA B 18 2.975 2.428 2.887 1.00 0.00 C ATOM 545 N9 DA B 18 1.686 1.734 3.027 1.00 0.00 N ATOM 546 C8 DA B 18 0.727 1.932 3.985 1.00 0.00 C ATOM 547 N7 DA B 18 -0.215 1.029 4.007 1.00 0.00 N ATOM 548 C5 DA B 18 0.152 0.174 2.970 1.00 0.00 C ATOM 549 C6 DA B 18 -0.407 -1.010 2.470 1.00 0.00 C ATOM 550 N6 DA B 18 -1.485 -1.573 3.013 1.00 0.00 N ATOM 551 N1 DA B 18 0.188 -1.621 1.436 1.00 0.00 N ATOM 552 C2 DA B 18 1.292 -1.095 0.926 1.00 0.00 C ATOM 553 N3 DA B 18 1.936 0.006 1.307 1.00 0.00 N ATOM 554 C4 DA B 18 1.298 0.603 2.352 1.00 0.00 C ATOM 0 H5' DA B 18 4.815 2.401 6.343 1.00 0.00 H new ATOM 0 H5'' DA B 18 5.303 4.066 6.095 1.00 0.00 H new ATOM 0 H4' DA B 18 5.720 2.817 4.076 1.00 0.00 H new ATOM 0 H3' DA B 18 4.335 5.247 3.956 1.00 0.00 H new ATOM 0 H2' DA B 18 2.131 4.247 3.756 1.00 0.00 H new ATOM 0 H2'' DA B 18 2.601 4.423 2.077 1.00 0.00 H new ATOM 0 H1' DA B 18 3.351 2.195 1.891 1.00 0.00 H new ATOM 0 H8 DA B 18 0.749 2.769 4.668 1.00 0.00 H new ATOM 0 H61 DA B 18 -1.863 -2.435 2.620 1.00 0.00 H new ATOM 0 H62 DA B 18 -1.933 -1.142 3.822 1.00 0.00 H new ATOM 0 H2 DA B 18 1.726 -1.629 0.093 1.00 0.00 H new ATOM 566 P DA B 19 5.146 5.557 1.271 1.00 0.00 P ATOM 567 OP1 DA B 19 6.517 5.755 0.750 1.00 0.00 O ATOM 568 OP2 DA B 19 4.406 6.697 1.852 1.00 0.00 O ATOM 569 O5' DA B 19 4.246 4.919 0.093 1.00 0.00 O ATOM 570 C5' DA B 19 4.780 3.966 -0.808 1.00 0.00 C ATOM 571 C4' DA B 19 3.738 3.561 -1.849 1.00 0.00 C ATOM 572 O4' DA B 19 2.712 2.830 -1.207 1.00 0.00 O ATOM 573 C3' DA B 19 3.098 4.757 -2.569 1.00 0.00 C ATOM 574 O3' DA B 19 3.259 4.578 -3.966 1.00 0.00 O ATOM 575 C2' DA B 19 1.643 4.678 -2.118 1.00 0.00 C ATOM 576 C1' DA B 19 1.476 3.200 -1.776 1.00 0.00 C ATOM 577 N9 DA B 19 0.413 2.948 -0.779 1.00 0.00 N ATOM 578 C8 DA B 19 0.208 3.580 0.421 1.00 0.00 C ATOM 579 N7 DA B 19 -0.711 3.037 1.170 1.00 0.00 N ATOM 580 C5 DA B 19 -1.158 1.970 0.397 1.00 0.00 C ATOM 581 C6 DA B 19 -2.117 0.965 0.611 1.00 0.00 C ATOM 582 N6 DA B 19 -2.822 0.886 1.737 1.00 0.00 N ATOM 583 N1 DA B 19 -2.274 0.008 -0.315 1.00 0.00 N ATOM 584 C2 DA B 19 -1.530 0.052 -1.415 1.00 0.00 C ATOM 585 N3 DA B 19 -0.613 0.949 -1.746 1.00 0.00 N ATOM 586 C4 DA B 19 -0.473 1.899 -0.786 1.00 0.00 C ATOM 0 H5' DA B 19 5.113 3.086 -0.258 1.00 0.00 H new ATOM 0 H5'' DA B 19 5.656 4.381 -1.306 1.00 0.00 H new ATOM 0 H4' DA B 19 4.257 2.967 -2.601 1.00 0.00 H new ATOM 0 H3' DA B 19 3.530 5.732 -2.344 1.00 0.00 H new ATOM 0 H2' DA B 19 1.451 5.317 -1.256 1.00 0.00 H new ATOM 0 H2'' DA B 19 0.958 4.991 -2.906 1.00 0.00 H new ATOM 0 H1' DA B 19 1.197 2.640 -2.668 1.00 0.00 H new ATOM 0 H8 DA B 19 0.763 4.457 0.721 1.00 0.00 H new ATOM 0 H61 DA B 19 -3.510 0.142 1.857 1.00 0.00 H new ATOM 0 H62 DA B 19 -2.674 1.569 2.480 1.00 0.00 H new ATOM 0 H2 DA B 19 -1.693 -0.743 -2.128 1.00 0.00 H new ATOM 598 P DG B 20 2.777 5.682 -5.043 1.00 0.00 P ATOM 599 OP1 DG B 20 3.744 5.693 -6.161 1.00 0.00 O ATOM 600 OP2 DG B 20 2.445 6.937 -4.331 1.00 0.00 O ATOM 601 O5' DG B 20 1.409 5.018 -5.567 1.00 0.00 O ATOM 602 C5' DG B 20 1.435 3.892 -6.421 1.00 0.00 C ATOM 603 C4' DG B 20 0.013 3.379 -6.659 1.00 0.00 C ATOM 604 O4' DG B 20 -0.559 2.963 -5.431 1.00 0.00 O ATOM 605 C3' DG B 20 -0.901 4.459 -7.257 1.00 0.00 C ATOM 606 O3' DG B 20 -1.546 3.932 -8.402 1.00 0.00 O ATOM 607 C2' DG B 20 -1.879 4.718 -6.116 1.00 0.00 C ATOM 608 C1' DG B 20 -1.914 3.362 -5.425 1.00 0.00 C ATOM 609 N9 DG B 20 -2.408 3.454 -4.033 1.00 0.00 N ATOM 610 C8 DG B 20 -2.005 4.326 -3.057 1.00 0.00 C ATOM 611 N7 DG B 20 -2.559 4.134 -1.895 1.00 0.00 N ATOM 612 C5 DG B 20 -3.418 3.062 -2.121 1.00 0.00 C ATOM 613 C6 DG B 20 -4.327 2.413 -1.237 1.00 0.00 C ATOM 614 O6 DG B 20 -4.558 2.688 -0.065 1.00 0.00 O ATOM 615 N1 DG B 20 -4.994 1.349 -1.827 1.00 0.00 N ATOM 616 C2 DG B 20 -4.826 0.969 -3.136 1.00 0.00 C ATOM 617 N2 DG B 20 -5.550 -0.046 -3.590 1.00 0.00 N ATOM 618 N3 DG B 20 -4.008 1.596 -3.990 1.00 0.00 N ATOM 619 C4 DG B 20 -3.327 2.629 -3.423 1.00 0.00 C ATOM 0 H5' DG B 20 2.045 3.104 -5.978 1.00 0.00 H new ATOM 0 H5'' DG B 20 1.898 4.157 -7.371 1.00 0.00 H new ATOM 0 H4' DG B 20 0.090 2.550 -7.363 1.00 0.00 H new ATOM 0 H3' DG B 20 -0.397 5.368 -7.587 1.00 0.00 H new ATOM 0 H2' DG B 20 -1.531 5.508 -5.450 1.00 0.00 H new ATOM 0 H2'' DG B 20 -2.862 5.018 -6.480 1.00 0.00 H new ATOM 0 H1' DG B 20 -2.587 2.666 -5.926 1.00 0.00 H new ATOM 0 H8 DG B 20 -1.285 5.110 -3.237 1.00 0.00 H new ATOM 0 H1 DG B 20 -5.649 0.817 -1.254 1.00 0.00 H new ATOM 0 H21 DG B 20 -5.448 -0.352 -4.558 1.00 0.00 H new ATOM 0 H22 DG B 20 -6.208 -0.520 -2.971 1.00 0.00 H new ATOM 631 P DG B 21 -2.440 4.843 -9.391 1.00 0.00 P ATOM 632 OP1 DG B 21 -1.927 4.670 -10.768 1.00 0.00 O ATOM 633 OP2 DG B 21 -2.568 6.200 -8.815 1.00 0.00 O ATOM 634 O5' DG B 21 -3.872 4.116 -9.286 1.00 0.00 O ATOM 635 C5' DG B 21 -4.063 2.823 -9.824 1.00 0.00 C ATOM 636 C4' DG B 21 -5.463 2.296 -9.512 1.00 0.00 C ATOM 637 O4' DG B 21 -5.620 2.197 -8.106 1.00 0.00 O ATOM 638 C3' DG B 21 -6.577 3.191 -10.063 1.00 0.00 C ATOM 639 O3' DG B 21 -7.554 2.381 -10.692 1.00 0.00 O ATOM 640 C2' DG B 21 -7.086 3.869 -8.797 1.00 0.00 C ATOM 641 C1' DG B 21 -6.808 2.844 -7.696 1.00 0.00 C ATOM 642 N9 DG B 21 -6.542 3.493 -6.391 1.00 0.00 N ATOM 643 C8 DG B 21 -5.625 4.482 -6.154 1.00 0.00 C ATOM 644 N7 DG B 21 -5.511 4.832 -4.906 1.00 0.00 N ATOM 645 C5 DG B 21 -6.423 4.012 -4.256 1.00 0.00 C ATOM 646 C6 DG B 21 -6.745 3.938 -2.872 1.00 0.00 C ATOM 647 O6 DG B 21 -6.228 4.557 -1.947 1.00 0.00 O ATOM 648 N1 DG B 21 -7.747 3.025 -2.598 1.00 0.00 N ATOM 649 C2 DG B 21 -8.308 2.198 -3.539 1.00 0.00 C ATOM 650 N2 DG B 21 -9.173 1.296 -3.094 1.00 0.00 N ATOM 651 N3 DG B 21 -7.998 2.235 -4.845 1.00 0.00 N ATOM 652 C4 DG B 21 -7.057 3.177 -5.146 1.00 0.00 C ATOM 0 H5' DG B 21 -3.316 2.142 -9.416 1.00 0.00 H new ATOM 0 H5'' DG B 21 -3.914 2.850 -10.903 1.00 0.00 H new ATOM 0 H4' DG B 21 -5.551 1.323 -9.996 1.00 0.00 H new ATOM 0 H3' DG B 21 -6.276 3.914 -10.821 1.00 0.00 H new ATOM 0 H2' DG B 21 -6.566 4.808 -8.610 1.00 0.00 H new ATOM 0 H2'' DG B 21 -8.149 4.102 -8.868 1.00 0.00 H new ATOM 0 H1' DG B 21 -7.663 2.181 -7.564 1.00 0.00 H new ATOM 0 H8 DG B 21 -5.042 4.936 -6.942 1.00 0.00 H new ATOM 0 H1 DG B 21 -8.090 2.962 -1.639 1.00 0.00 H new ATOM 0 H21 DG B 21 -9.622 0.654 -3.747 1.00 0.00 H new ATOM 0 H22 DG B 21 -9.389 1.245 -2.099 1.00 0.00 H new ATOM 664 P DT B 22 -8.819 3.018 -11.472 1.00 0.00 P ATOM 665 OP1 DT B 22 -9.062 2.225 -12.698 1.00 0.00 O ATOM 666 OP2 DT B 22 -8.647 4.486 -11.557 1.00 0.00 O ATOM 667 O5' DT B 22 -10.001 2.711 -10.428 1.00 0.00 O ATOM 668 C5' DT B 22 -10.318 1.372 -10.102 1.00 0.00 C ATOM 669 C4' DT B 22 -11.371 1.272 -9.023 1.00 0.00 C ATOM 670 O4' DT B 22 -10.853 1.897 -7.867 1.00 0.00 O ATOM 671 C3' DT B 22 -12.678 1.980 -9.425 1.00 0.00 C ATOM 672 O3' DT B 22 -13.792 1.173 -9.099 1.00 0.00 O ATOM 673 C2' DT B 22 -12.601 3.251 -8.588 1.00 0.00 C ATOM 674 C1' DT B 22 -11.835 2.765 -7.360 1.00 0.00 C ATOM 675 N1 DT B 22 -11.155 3.837 -6.584 1.00 0.00 N ATOM 676 C2 DT B 22 -11.302 3.855 -5.201 1.00 0.00 C ATOM 677 O2 DT B 22 -12.147 3.192 -4.624 1.00 0.00 O ATOM 678 N3 DT B 22 -10.460 4.678 -4.476 1.00 0.00 N ATOM 679 C4 DT B 22 -9.537 5.536 -5.048 1.00 0.00 C ATOM 680 C5 DT B 22 -9.523 5.562 -6.497 1.00 0.00 C ATOM 681 C6 DT B 22 -10.311 4.720 -7.205 1.00 0.00 C ATOM 682 O4 DT B 22 -8.782 6.195 -4.348 1.00 0.00 O ATOM 695 C7 DT B 22 -8.641 6.572 -7.208 1.00 0.00 C ATOM 0 H5' DT B 22 -9.415 0.858 -9.772 1.00 0.00 H new ATOM 0 H5'' DT B 22 -10.669 0.857 -10.996 1.00 0.00 H new ATOM 0 H4' DT B 22 -11.604 0.221 -8.853 1.00 0.00 H new ATOM 0 H3' DT B 22 -12.792 2.181 -10.490 1.00 0.00 H new ATOM 0 H2' DT B 22 -12.076 4.052 -9.108 1.00 0.00 H new ATOM 0 H2'' DT B 22 -13.589 3.632 -8.330 1.00 0.00 H new ATOM 0 H1' DT B 22 -12.541 2.310 -6.665 1.00 0.00 H new ATOM 0 H3 DT B 22 -10.523 4.651 -3.458 1.00 0.00 H new ATOM 0 H71 DT B 22 -8.321 6.164 -8.167 1.00 0.00 H new ATOM 0 H72 DT B 22 -9.202 7.492 -7.374 1.00 0.00 H new ATOM 0 H73 DT B 22 -7.766 6.786 -6.595 1.00 0.00 H new ATOM 0 H6 DT B 22 -10.274 4.745 -8.284 1.00 0.00 H new ATOM 696 P DG B 23 -15.317 1.611 -9.411 1.00 0.00 P ATOM 697 OP1 DG B 23 -16.127 0.380 -9.538 1.00 0.00 O ATOM 698 OP2 DG B 23 -15.310 2.607 -10.505 1.00 0.00 O ATOM 699 O5' DG B 23 -15.747 2.357 -8.045 1.00 0.00 O ATOM 700 C5' DG B 23 -15.953 1.621 -6.853 1.00 0.00 C ATOM 701 C4' DG B 23 -16.264 2.544 -5.676 1.00 0.00 C ATOM 702 O4' DG B 23 -15.134 3.358 -5.402 1.00 0.00 O ATOM 703 C3' DG B 23 -17.457 3.474 -5.937 1.00 0.00 C ATOM 704 O3' DG B 23 -18.353 3.383 -4.840 1.00 0.00 O ATOM 705 C2' DG B 23 -16.760 4.830 -6.017 1.00 0.00 C ATOM 706 C1' DG B 23 -15.593 4.645 -5.050 1.00 0.00 C ATOM 707 N9 DG B 23 -14.498 5.615 -5.261 1.00 0.00 N ATOM 708 C8 DG B 23 -13.877 5.909 -6.442 1.00 0.00 C ATOM 709 N7 DG B 23 -12.833 6.674 -6.326 1.00 0.00 N ATOM 710 C5 DG B 23 -12.775 6.943 -4.963 1.00 0.00 C ATOM 711 C6 DG B 23 -11.857 7.749 -4.228 1.00 0.00 C ATOM 712 O6 DG B 23 -10.849 8.316 -4.638 1.00 0.00 O ATOM 713 N1 DG B 23 -12.184 7.859 -2.889 1.00 0.00 N ATOM 714 C2 DG B 23 -13.247 7.220 -2.301 1.00 0.00 C ATOM 715 N2 DG B 23 -13.447 7.428 -1.002 1.00 0.00 N ATOM 716 N3 DG B 23 -14.094 6.421 -2.971 1.00 0.00 N ATOM 717 C4 DG B 23 -13.808 6.327 -4.301 1.00 0.00 C ATOM 0 H5' DG B 23 -15.064 1.031 -6.630 1.00 0.00 H new ATOM 0 H5'' DG B 23 -16.775 0.919 -6.994 1.00 0.00 H new ATOM 0 H4' DG B 23 -16.514 1.897 -4.835 1.00 0.00 H new ATOM 0 H3' DG B 23 -18.056 3.257 -6.822 1.00 0.00 H new ATOM 0 H2' DG B 23 -16.420 5.055 -7.028 1.00 0.00 H new ATOM 0 H2'' DG B 23 -17.417 5.645 -5.713 1.00 0.00 H new ATOM 0 H1' DG B 23 -15.898 4.781 -4.013 1.00 0.00 H new ATOM 0 H8 DG B 23 -14.225 5.536 -7.394 1.00 0.00 H new ATOM 0 H1 DG B 23 -11.598 8.452 -2.301 1.00 0.00 H new ATOM 0 H21 DG B 23 -14.226 6.972 -0.527 1.00 0.00 H new ATOM 0 H22 DG B 23 -12.821 8.043 -0.482 1.00 0.00 H new ATOM 729 P DC B 24 -19.765 4.166 -4.797 1.00 0.00 P ATOM 730 OP1 DC B 24 -20.792 3.250 -4.255 1.00 0.00 O ATOM 731 OP2 DC B 24 -19.985 4.833 -6.097 1.00 0.00 O ATOM 732 O5' DC B 24 -19.467 5.298 -3.692 1.00 0.00 O ATOM 733 C5' DC B 24 -19.277 4.946 -2.336 1.00 0.00 C ATOM 734 C4' DC B 24 -18.788 6.158 -1.538 1.00 0.00 C ATOM 735 O4' DC B 24 -17.607 6.640 -2.149 1.00 0.00 O ATOM 736 C3' DC B 24 -19.805 7.309 -1.509 1.00 0.00 C ATOM 737 O3' DC B 24 -20.013 7.752 -0.185 1.00 0.00 O ATOM 738 C2' DC B 24 -19.130 8.413 -2.305 1.00 0.00 C ATOM 739 C1' DC B 24 -17.651 8.051 -2.167 1.00 0.00 C ATOM 740 N1 DC B 24 -16.832 8.543 -3.307 1.00 0.00 N ATOM 741 C2 DC B 24 -15.729 9.349 -3.057 1.00 0.00 C ATOM 742 O2 DC B 24 -15.501 9.780 -1.931 1.00 0.00 O ATOM 743 N3 DC B 24 -14.891 9.676 -4.085 1.00 0.00 N ATOM 744 C4 DC B 24 -15.144 9.239 -5.322 1.00 0.00 C ATOM 745 N4 DC B 24 -14.257 9.508 -6.271 1.00 0.00 N ATOM 746 C5 DC B 24 -16.292 8.438 -5.618 1.00 0.00 C ATOM 747 C6 DC B 24 -17.099 8.119 -4.579 1.00 0.00 C ATOM 0 H5' DC B 24 -18.552 4.136 -2.261 1.00 0.00 H new ATOM 0 H5'' DC B 24 -20.212 4.577 -1.914 1.00 0.00 H new ATOM 0 H4' DC B 24 -18.627 5.830 -0.511 1.00 0.00 H new ATOM 0 H3' DC B 24 -20.775 7.014 -1.909 1.00 0.00 H new ATOM 0 H2' DC B 24 -19.452 8.420 -3.346 1.00 0.00 H new ATOM 0 H2'' DC B 24 -19.347 9.400 -1.898 1.00 0.00 H new ATOM 0 HO3' DC B 24 -20.662 8.486 -0.184 1.00 0.00 H new ATOM 0 H1' DC B 24 -17.240 8.511 -1.268 1.00 0.00 H new ATOM 0 H41 DC B 24 -14.419 9.189 -7.226 1.00 0.00 H new ATOM 0 H42 DC B 24 -13.413 10.034 -6.046 1.00 0.00 H new ATOM 0 H5 DC B 24 -16.505 8.104 -6.623 1.00 0.00 H new ATOM 0 H6 DC B 24 -17.976 7.514 -4.759 1.00 0.00 H new TER 760 DC B 24 HETATM 761 C1D CCI B 25 -9.083 -2.452 -10.395 1.00 0.00 C HETATM 762 C2D CCI B 25 -8.097 -1.364 -9.978 1.00 0.00 C HETATM 763 C3D CCI B 25 -6.714 -2.008 -9.826 1.00 0.00 C HETATM 764 C4D CCI B 25 -6.320 -2.653 -11.166 1.00 0.00 C HETATM 765 C5D CCI B 25 -7.421 -3.654 -11.555 1.00 0.00 C HETATM 766 C6D CCI B 25 -7.190 -4.302 -12.916 1.00 0.00 C HETATM 767 OCD CCI B 25 -9.145 -3.493 -9.436 1.00 0.00 O HETATM 768 O2D CCI B 25 -8.022 -0.384 -10.997 1.00 0.00 O HETATM 769 O3D CCI B 25 -5.736 -1.081 -9.391 1.00 0.00 O HETATM 770 O4D CCI B 25 -5.080 -3.335 -11.004 1.00 0.00 O HETATM 771 OD CCI B 25 -8.686 -3.011 -11.629 1.00 0.00 O HETATM 772 C7D CCI B 25 -5.783 -0.823 -7.997 1.00 0.00 C HETATM 773 C4C CCI B 25 -9.639 -3.240 -8.116 1.00 0.00 C HETATM 774 C5C CCI B 25 -10.983 -2.918 -7.945 1.00 0.00 C HETATM 775 C6C CCI B 25 -11.400 -2.315 -6.747 1.00 0.00 C HETATM 776 C1C CCI B 25 -10.468 -2.038 -5.709 1.00 0.00 C HETATM 777 C2C CCI B 25 -9.143 -2.558 -5.839 1.00 0.00 C HETATM 778 I CCI B 25 -6.254 -4.956 -7.175 1.00 0.00 I HETATM 779 O5C CCI B 25 -11.902 -3.112 -9.055 1.00 0.00 O HETATM 780 C8C CCI B 25 -12.007 -4.351 -9.740 1.00 0.00 C HETATM 781 O6C CCI B 25 -12.814 -2.064 -6.591 1.00 0.00 O HETATM 782 C9C CCI B 25 -13.441 -1.072 -7.369 1.00 0.00 C HETATM 783 C7C CCI B 25 -8.063 -2.315 -4.798 1.00 0.00 C HETATM 784 CBC CCI B 25 -10.826 -1.237 -4.592 1.00 0.00 C HETATM 785 OBC CCI B 25 -10.212 -1.276 -3.529 1.00 0.00 O HETATM 786 SBC CCI B 25 -12.130 -0.010 -4.556 1.00 0.00 S HETATM 787 C1B CCI B 25 -14.889 0.535 -0.907 1.00 0.00 C HETATM 788 C2B CCI B 25 -13.629 1.411 -1.010 1.00 0.00 C HETATM 789 C3B CCI B 25 -13.097 1.494 -2.438 1.00 0.00 C HETATM 790 C4B CCI B 25 -12.830 0.047 -2.878 1.00 0.00 C HETATM 791 C5B CCI B 25 -14.126 -0.763 -2.751 1.00 0.00 C HETATM 792 C6B CCI B 25 -13.961 -2.209 -3.232 1.00 0.00 C HETATM 793 OAB CCI B 25 -15.144 0.619 0.529 1.00 0.00 O HETATM 794 O3B CCI B 25 -14.111 2.086 -3.220 1.00 0.00 O HETATM 795 OB CCI B 25 -14.514 -0.769 -1.387 1.00 0.00 O HETATM 796 C1A CCI B 25 -17.694 1.263 3.948 1.00 0.00 C HETATM 797 C2A CCI B 25 -17.289 -0.221 3.926 1.00 0.00 C HETATM 798 C3A CCI B 25 -16.578 -0.578 2.614 1.00 0.00 C HETATM 799 C4A CCI B 25 -17.211 0.048 1.360 1.00 0.00 C HETATM 800 C5A CCI B 25 -17.567 1.523 1.608 1.00 0.00 C HETATM 801 C6A CCI B 25 -18.355 2.125 0.438 1.00 0.00 C HETATM 802 ORA CCI B 25 -18.550 1.508 5.047 1.00 0.00 O HETATM 803 OEA CCI B 25 -16.332 -0.489 4.951 1.00 0.00 O HETATM 804 O3A CCI B 25 -16.543 -1.984 2.473 1.00 0.00 O HETATM 805 NAB CCI B 25 -16.298 -0.061 0.230 1.00 0.00 N HETATM 806 OA CCI B 25 -18.380 1.615 2.759 1.00 0.00 O HETATM 807 CAN CCI B 25 -18.964 2.859 5.101 1.00 0.00 C HETATM 808 C1E CCI B 25 -16.806 -1.240 6.062 1.00 0.00 C HETATM 809 C2E CCI B 25 -15.605 -1.749 6.868 1.00 0.00 C HETATM 810 C3E CCI B 25 -14.855 -0.585 7.530 1.00 0.00 C HETATM 811 C4E CCI B 25 -15.848 0.222 8.367 1.00 0.00 C HETATM 812 C5E CCI B 25 -17.007 0.665 7.467 1.00 0.00 C HETATM 813 O3E CCI B 25 -13.849 -1.015 8.436 1.00 0.00 O HETATM 814 C6E CCI B 25 -12.739 -1.646 7.820 1.00 0.00 C HETATM 815 N4E CCI B 25 -15.139 1.352 9.012 1.00 0.00 N HETATM 816 C7E CCI B 25 -15.923 2.223 9.921 1.00 0.00 C HETATM 817 C8E CCI B 25 -16.579 1.456 11.077 1.00 0.00 C HETATM 818 OE CCI B 25 -17.649 -0.469 6.900 1.00 0.00 O HETATM 819 C3C CCI B 25 -8.754 -3.199 -7.035 1.00 0.00 C HETATM 0 HOD2 CCI B 25 -7.695 0.458 -10.617 1.00 0.00 H new HETATM 0 HOB3 CCI B 25 -13.704 2.609 -3.942 1.00 0.00 H new HETATM 0 HOA3 CCI B 25 -15.728 -2.334 2.890 1.00 0.00 H new HETATM 0 HNE2 CCI B 25 -14.149 1.524 8.837 1.00 0.00 H new HETATM 0 HAN3 CCI B 25 -18.090 3.504 5.198 1.00 0.00 H new HETATM 0 HAN2 CCI B 25 -19.501 3.112 4.187 1.00 0.00 H new HETATM 0 HAN1 CCI B 25 -19.620 3.005 5.959 1.00 0.00 H new HETATM 0 H9C3 CCI B 25 -12.978 -0.106 -7.169 1.00 0.00 H new HETATM 0 H9C2 CCI B 25 -13.331 -1.315 -8.426 1.00 0.00 H new HETATM 0 H9C1 CCI B 25 -14.500 -1.026 -7.115 1.00 0.00 H new HETATM 0 H8E3 CCI B 25 -17.258 0.704 10.676 1.00 0.00 H new HETATM 0 H8E2 CCI B 25 -15.808 0.968 11.673 1.00 0.00 H new HETATM 0 H8E1 CCI B 25 -17.137 2.151 11.704 1.00 0.00 H new HETATM 0 H8C3 CCI B 25 -11.042 -4.608 -10.177 1.00 0.00 H new HETATM 0 H8C2 CCI B 25 -12.307 -5.130 -9.039 1.00 0.00 H new HETATM 0 H8C1 CCI B 25 -12.753 -4.268 -10.530 1.00 0.00 H new HETATM 0 H7E2 CCI B 25 -15.269 2.993 10.330 1.00 0.00 H new HETATM 0 H7E1 CCI B 25 -16.696 2.733 9.347 1.00 0.00 H new HETATM 0 H7D3 CCI B 25 -6.759 -0.415 -7.735 1.00 0.00 H new HETATM 0 H7D2 CCI B 25 -5.619 -1.751 -7.449 1.00 0.00 H new HETATM 0 H7D1 CCI B 25 -5.007 -0.105 -7.734 1.00 0.00 H new HETATM 0 H7C3 CCI B 25 -7.633 -3.268 -4.490 1.00 0.00 H new HETATM 0 H7C2 CCI B 25 -7.282 -1.686 -5.224 1.00 0.00 H new HETATM 0 H7C1 CCI B 25 -8.498 -1.817 -3.932 1.00 0.00 H new HETATM 0 H6E3 CCI B 25 -13.077 -2.529 7.278 1.00 0.00 H new HETATM 0 H6E2 CCI B 25 -12.266 -0.952 7.125 1.00 0.00 H new HETATM 0 H6E1 CCI B 25 -12.019 -1.942 8.583 1.00 0.00 H new HETATM 0 H6D3 CCI B 25 -7.160 -3.531 -13.686 1.00 0.00 H new HETATM 0 H6D2 CCI B 25 -6.243 -4.842 -12.906 1.00 0.00 H new HETATM 0 H6D1 CCI B 25 -8.002 -4.997 -13.131 1.00 0.00 H new HETATM 0 H6B3 CCI B 25 -13.664 -2.212 -4.281 1.00 0.00 H new HETATM 0 H6B2 CCI B 25 -13.195 -2.705 -2.637 1.00 0.00 H new HETATM 0 H6B1 CCI B 25 -14.907 -2.739 -3.121 1.00 0.00 H new HETATM 0 H6A3 CCI B 25 -17.757 2.066 -0.472 1.00 0.00 H new HETATM 0 H6A2 CCI B 25 -19.282 1.569 0.299 1.00 0.00 H new HETATM 0 H6A1 CCI B 25 -18.586 3.168 0.654 1.00 0.00 H new HETATM 0 H5E2 CCI B 25 -17.725 1.247 8.046 1.00 0.00 H new HETATM 0 H5E1 CCI B 25 -16.634 1.315 6.675 1.00 0.00 H new HETATM 0 H2E2 CCI B 25 -15.945 -2.449 7.632 1.00 0.00 H new HETATM 0 H2E1 CCI B 25 -14.928 -2.297 6.212 1.00 0.00 H new HETATM 0 H2B2 CCI B 25 -13.856 2.415 -0.650 1.00 0.00 H new HETATM 0 H2B1 CCI B 25 -12.854 1.007 -0.359 1.00 0.00 H new HETATM 0 HAB CCI B 25 -16.485 -0.560 -0.640 1.00 0.00 H new HETATM 0 H5D CCI B 25 -7.395 -4.417 -10.777 1.00 0.00 H new HETATM 0 H5B CCI B 25 -14.883 -0.296 -3.381 1.00 0.00 H new HETATM 0 H5A CCI B 25 -16.632 2.070 1.727 1.00 0.00 H new HETATM 0 H4E CCI B 25 -16.275 -0.379 9.170 1.00 0.00 H new HETATM 0 H4D CCI B 25 -6.212 -1.898 -11.944 1.00 0.00 H new HETATM 0 H4B CCI B 25 -12.082 -0.404 -2.226 1.00 0.00 H new HETATM 0 H4A CCI B 25 -18.128 -0.495 1.131 1.00 0.00 H new HETATM 0 H3E CCI B 25 -14.395 -0.014 6.723 1.00 0.00 H new HETATM 0 H3D CCI B 25 -6.766 -2.773 -9.052 1.00 0.00 H new HETATM 0 H3B CCI B 25 -12.185 2.083 -2.535 1.00 0.00 H new HETATM 0 H3A CCI B 25 -15.574 -0.159 2.685 1.00 0.00 H new HETATM 0 H2D CCI B 25 -8.420 -0.904 -9.044 1.00 0.00 H new HETATM 0 H2A CCI B 25 -18.207 -0.795 4.055 1.00 0.00 H new HETATM 0 H1E CCI B 25 -17.395 -2.075 5.683 1.00 0.00 H new HETATM 0 H1D CCI B 25 -10.065 -1.987 -10.479 1.00 0.00 H new HETATM 0 H1B CCI B 25 -15.776 0.808 -1.478 1.00 0.00 H new HETATM 0 H1A CCI B 25 -16.786 1.860 4.032 1.00 0.00 H new HETATM 881 C1 NBU B 26 -4.001 -2.616 -11.581 1.00 0.00 C HETATM 882 C2 NBU B 26 -2.645 -3.190 -11.156 1.00 0.00 C HETATM 883 C3 NBU B 26 -2.284 -2.849 -9.702 1.00 0.00 C HETATM 884 C4 NBU B 26 -0.783 -3.076 -9.484 1.00 0.00 C HETATM 0 H43 NBU B 26 -0.540 -4.120 -9.684 1.00 0.00 H new HETATM 0 H42 NBU B 26 -0.216 -2.435 -10.160 1.00 0.00 H new HETATM 0 H32 NBU B 26 -2.542 -1.812 -9.485 1.00 0.00 H new HETATM 0 H31 NBU B 26 -2.860 -3.471 -9.017 1.00 0.00 H new HETATM 0 H22 NBU B 26 -2.660 -4.273 -11.278 1.00 0.00 H new HETATM 0 H21 NBU B 26 -1.869 -2.806 -11.818 1.00 0.00 H new HETATM 0 H12 NBU B 26 -3.981 -1.530 -11.489 1.00 0.00 H new HETATM 0 H11 NBU B 26 -4.203 -2.889 -12.617 1.00 0.00 H new HETATM 893 C1D CCI B 27 7.582 3.031 8.230 1.00 0.00 C HETATM 894 C2D CCI B 27 6.384 2.760 9.145 1.00 0.00 C HETATM 895 C3D CCI B 27 6.789 1.813 10.285 1.00 0.00 C HETATM 896 C4D CCI B 27 7.964 2.449 11.042 1.00 0.00 C HETATM 897 C5D CCI B 27 9.093 2.762 10.046 1.00 0.00 C HETATM 898 C6D CCI B 27 10.251 3.471 10.752 1.00 0.00 C HETATM 899 OCD CCI B 27 8.017 1.845 7.587 1.00 0.00 O HETATM 900 O2D CCI B 27 5.922 3.983 9.691 1.00 0.00 O HETATM 901 O3D CCI B 27 5.629 1.597 11.087 1.00 0.00 O HETATM 902 O4D CCI B 27 8.476 1.562 12.015 1.00 0.00 O HETATM 903 OD CCI B 27 8.643 3.595 8.986 1.00 0.00 O HETATM 904 C7D CCI B 27 5.650 0.425 11.886 1.00 0.00 C HETATM 905 C4C CCI B 27 7.622 1.509 6.232 1.00 0.00 C HETATM 906 C5C CCI B 27 8.221 2.177 5.152 1.00 0.00 C HETATM 907 C6C CCI B 27 8.170 1.626 3.857 1.00 0.00 C HETATM 908 C1C CCI B 27 7.563 0.363 3.636 1.00 0.00 C HETATM 909 C2C CCI B 27 6.867 -0.241 4.713 1.00 0.00 C HETATM 910 I CCI B 27 5.569 -1.168 8.252 1.00 0.00 I HETATM 911 O5C CCI B 27 8.910 3.429 5.374 1.00 0.00 O HETATM 912 C8C CCI B 27 10.241 3.443 5.849 1.00 0.00 C HETATM 913 O6C CCI B 27 8.928 2.284 2.810 1.00 0.00 O HETATM 914 C9C CCI B 27 8.346 3.302 2.016 1.00 0.00 C HETATM 915 C7C CCI B 27 6.051 -1.508 4.557 1.00 0.00 C HETATM 916 CBC CCI B 27 7.807 -0.360 2.443 1.00 0.00 C HETATM 917 OBC CCI B 27 7.943 -1.579 2.426 1.00 0.00 O HETATM 918 SBC CCI B 27 7.981 0.376 0.837 1.00 0.00 S HETATM 919 C1B CCI B 27 4.619 -0.287 -2.253 1.00 0.00 C HETATM 920 C2B CCI B 27 4.498 -1.040 -0.921 1.00 0.00 C HETATM 921 C3B CCI B 27 5.424 -0.567 0.203 1.00 0.00 C HETATM 922 C4B CCI B 27 6.831 -0.360 -0.362 1.00 0.00 C HETATM 923 C5B CCI B 27 6.746 0.535 -1.600 1.00 0.00 C HETATM 924 C6B CCI B 27 8.126 0.912 -2.151 1.00 0.00 C HETATM 925 OAB CCI B 27 3.887 -1.191 -3.144 1.00 0.00 O HETATM 926 O3B CCI B 27 4.895 0.620 0.751 1.00 0.00 O HETATM 927 OB CCI B 27 6.014 -0.175 -2.580 1.00 0.00 O HETATM 928 C1A CCI B 27 1.739 -2.368 -6.875 1.00 0.00 C HETATM 929 C2A CCI B 27 3.235 -2.152 -7.163 1.00 0.00 C HETATM 930 C3A CCI B 27 3.977 -1.729 -5.894 1.00 0.00 C HETATM 931 C4A CCI B 27 3.267 -0.535 -5.247 1.00 0.00 C HETATM 932 C5A CCI B 27 1.806 -0.934 -4.996 1.00 0.00 C HETATM 933 C6A CCI B 27 1.041 0.196 -4.313 1.00 0.00 C HETATM 934 ORA CCI B 27 1.105 -2.593 -8.122 1.00 0.00 O HETATM 935 OEA CCI B 27 3.852 -3.358 -7.600 1.00 0.00 O HETATM 936 O3A CCI B 27 5.312 -1.386 -6.215 1.00 0.00 O HETATM 937 NAB CCI B 27 3.938 -0.142 -4.020 1.00 0.00 N HETATM 938 OA CCI B 27 1.189 -1.224 -6.239 1.00 0.00 O HETATM 939 CAN CCI B 27 -0.311 -2.667 -8.083 1.00 0.00 C HETATM 940 C1E CCI B 27 4.411 -3.279 -8.905 1.00 0.00 C HETATM 941 C2E CCI B 27 5.447 -4.391 -9.084 1.00 0.00 C HETATM 942 C3E CCI B 27 4.765 -5.759 -9.001 1.00 0.00 C HETATM 943 C4E CCI B 27 3.624 -5.824 -10.014 1.00 0.00 C HETATM 944 C5E CCI B 27 2.687 -4.627 -9.808 1.00 0.00 C HETATM 945 O3E CCI B 27 5.641 -6.837 -9.296 1.00 0.00 O HETATM 946 C6E CCI B 27 6.683 -7.012 -8.354 1.00 0.00 C HETATM 947 N4E CCI B 27 2.939 -7.125 -9.853 1.00 0.00 N HETATM 948 C7E CCI B 27 1.784 -7.408 -10.732 1.00 0.00 C HETATM 949 C8E CCI B 27 2.139 -7.356 -12.223 1.00 0.00 C HETATM 950 OE CCI B 27 3.408 -3.407 -9.896 1.00 0.00 O HETATM 951 C3C CCI B 27 6.911 0.325 5.997 1.00 0.00 C HETATM 0 HOD4 CCI B 27 8.846 2.075 12.763 1.00 0.00 H new HETATM 0 HOD2 CCI B 27 5.283 4.396 9.074 1.00 0.00 H new HETATM 0 HOB3 CCI B 27 3.941 0.497 0.937 1.00 0.00 H new HETATM 0 HOA3 CCI B 27 5.827 -1.269 -5.390 1.00 0.00 H new HETATM 0 HNE2 CCI B 27 3.253 -7.804 -9.159 1.00 0.00 H new HETATM 0 HAN3 CCI B 27 -0.615 -3.487 -7.432 1.00 0.00 H new HETATM 0 HAN2 CCI B 27 -0.714 -1.730 -7.699 1.00 0.00 H new HETATM 0 H9C3 CCI B 27 7.481 2.901 1.487 1.00 0.00 H new HETATM 0 H9C2 CCI B 27 8.031 4.127 2.655 1.00 0.00 H new HETATM 0 H9C1 CCI B 27 9.078 3.663 1.293 1.00 0.00 H new HETATM 0 H8E3 CCI B 27 2.510 -6.362 -12.474 1.00 0.00 H new HETATM 0 H8E2 CCI B 27 2.909 -8.097 -12.440 1.00 0.00 H new HETATM 0 H8E1 CCI B 27 1.251 -7.572 -12.816 1.00 0.00 H new HETATM 0 H8C3 CCI B 27 10.286 2.949 6.820 1.00 0.00 H new HETATM 0 H8C2 CCI B 27 10.885 2.917 5.144 1.00 0.00 H new HETATM 0 H8C1 CCI B 27 10.580 4.474 5.950 1.00 0.00 H new HETATM 0 H7E2 CCI B 27 1.386 -8.394 -10.493 1.00 0.00 H new HETATM 0 H7E1 CCI B 27 0.993 -6.687 -10.527 1.00 0.00 H new HETATM 0 H7D3 CCI B 27 5.748 -0.451 11.245 1.00 0.00 H new HETATM 0 H7D2 CCI B 27 6.495 0.468 12.573 1.00 0.00 H new HETATM 0 H7D1 CCI B 27 4.723 0.356 12.455 1.00 0.00 H new HETATM 0 H7C3 CCI B 27 6.454 -2.283 5.209 1.00 0.00 H new HETATM 0 H7C2 CCI B 27 5.014 -1.309 4.829 1.00 0.00 H new HETATM 0 H7C1 CCI B 27 6.096 -1.845 3.521 1.00 0.00 H new HETATM 0 H6E3 CCI B 27 7.291 -6.108 -8.312 1.00 0.00 H new HETATM 0 H6E2 CCI B 27 6.255 -7.208 -7.371 1.00 0.00 H new HETATM 0 H6E1 CCI B 27 7.306 -7.855 -8.653 1.00 0.00 H new HETATM 0 H6D3 CCI B 27 9.895 4.405 11.187 1.00 0.00 H new HETATM 0 H6D2 CCI B 27 10.644 2.829 11.541 1.00 0.00 H new HETATM 0 H6D1 CCI B 27 11.040 3.684 10.031 1.00 0.00 H new HETATM 0 H6B3 CCI B 27 8.688 1.450 -1.388 1.00 0.00 H new HETATM 0 H6B2 CCI B 27 8.666 0.007 -2.429 1.00 0.00 H new HETATM 0 H6B1 CCI B 27 8.006 1.547 -3.029 1.00 0.00 H new HETATM 0 H6A3 CCI B 27 1.510 0.426 -3.356 1.00 0.00 H new HETATM 0 H6A2 CCI B 27 1.057 1.082 -4.948 1.00 0.00 H new HETATM 0 H6A1 CCI B 27 0.009 -0.112 -4.146 1.00 0.00 H new HETATM 0 H5E2 CCI B 27 1.897 -4.644 -10.558 1.00 0.00 H new HETATM 0 H5E1 CCI B 27 2.203 -4.700 -8.834 1.00 0.00 H new HETATM 0 H2E2 CCI B 27 5.947 -4.282 -10.046 1.00 0.00 H new HETATM 0 H2E1 CCI B 27 6.215 -4.311 -8.315 1.00 0.00 H new HETATM 0 H2B2 CCI B 27 3.468 -0.961 -0.574 1.00 0.00 H new HETATM 0 H2B1 CCI B 27 4.692 -2.097 -1.105 1.00 0.00 H new HETATM 0 HAB CCI B 27 4.373 0.763 -3.842 1.00 0.00 H new HETATM 0 H5D CCI B 27 9.425 1.808 9.636 1.00 0.00 H new HETATM 0 H5B CCI B 27 6.258 1.471 -1.329 1.00 0.00 H new HETATM 0 H5A CCI B 27 1.789 -1.808 -4.345 1.00 0.00 H new HETATM 0 H4E CCI B 27 3.993 -5.760 -11.038 1.00 0.00 H new HETATM 0 H4D CCI B 27 7.606 3.355 11.530 1.00 0.00 H new HETATM 0 H4B CCI B 27 7.225 -1.344 -0.615 1.00 0.00 H new HETATM 0 H4A CCI B 27 3.297 0.331 -5.908 1.00 0.00 H new HETATM 0 H3E CCI B 27 4.415 -5.861 -7.974 1.00 0.00 H new HETATM 0 H3D CCI B 27 7.134 0.839 9.938 1.00 0.00 H new HETATM 0 H3B CCI B 27 5.491 -1.310 0.998 1.00 0.00 H new HETATM 0 H3A CCI B 27 3.983 -2.559 -5.187 1.00 0.00 H new HETATM 0 H2D CCI B 27 5.591 2.293 8.561 1.00 0.00 H new HETATM 0 H2A CCI B 27 3.293 -1.382 -7.932 1.00 0.00 H new HETATM 0 H1E CCI B 27 4.885 -2.304 -9.018 1.00 0.00 H new HETATM 0 H1D CCI B 27 7.271 3.735 7.458 1.00 0.00 H new HETATM 0 H1B CCI B 27 4.231 0.731 -2.285 1.00 0.00 H new HETATM 0 H1A CCI B 27 1.591 -3.217 -6.207 1.00 0.00 H new