USER MOD reduce.3.24.130724 H: found=0, std=0, add=234, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 238 hydrogens (0 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 Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 180:sc= -0.0214 USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.402 (180deg=-0.402) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DA O3' : rot 180:sc= 0 USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT O5' : rot 180:sc= -0.0168 USER MOD Single : B 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT C7 :methyl 150:sc= -0.689 (180deg=-0.689) USER MOD Single : B 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 10 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 3.399 -5.218 5.666 1.00 0.00 O ATOM 2 C5' DT A 1 4.749 -5.186 5.222 1.00 0.00 C ATOM 3 C4' DT A 1 4.890 -4.959 3.707 1.00 0.00 C ATOM 4 O4' DT A 1 4.362 -6.084 3.011 1.00 0.00 O ATOM 5 C3' DT A 1 4.161 -3.719 3.184 1.00 0.00 C ATOM 6 O3' DT A 1 5.024 -2.632 2.875 1.00 0.00 O ATOM 7 C2' DT A 1 3.559 -4.198 1.870 1.00 0.00 C ATOM 8 C1' DT A 1 3.625 -5.723 1.855 1.00 0.00 C ATOM 9 N1 DT A 1 2.249 -6.290 1.880 1.00 0.00 N ATOM 10 C2 DT A 1 1.621 -6.587 0.666 1.00 0.00 C ATOM 11 O2 DT A 1 2.192 -6.556 -0.418 1.00 0.00 O ATOM 12 N3 DT A 1 0.278 -6.896 0.715 1.00 0.00 N ATOM 13 C4 DT A 1 -0.506 -6.829 1.847 1.00 0.00 C ATOM 14 O4 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7 2.760 14.029 -6.041 1.00 0.00 O ATOM 191 OP2 DT A 7 0.977 12.902 -7.502 1.00 0.00 O ATOM 192 O5' DT A 7 2.606 11.532 -6.170 1.00 0.00 O ATOM 193 C5' DT A 7 1.994 10.293 -6.477 1.00 0.00 C ATOM 194 C4' DT A 7 2.087 9.315 -5.298 1.00 0.00 C ATOM 195 O4' DT A 7 1.107 9.623 -4.310 1.00 0.00 O ATOM 196 C3' DT A 7 1.791 7.892 -5.773 1.00 0.00 C ATOM 197 O3' DT A 7 2.793 6.985 -5.369 1.00 0.00 O ATOM 198 C2' DT A 7 0.499 7.547 -5.061 1.00 0.00 C ATOM 199 C1' DT A 7 0.497 8.450 -3.808 1.00 0.00 C ATOM 200 N1 DT A 7 -0.859 8.802 -3.300 1.00 0.00 N ATOM 201 C2 DT A 7 -1.188 8.632 -1.951 1.00 0.00 C ATOM 202 O2 DT A 7 -0.389 8.284 -1.092 1.00 0.00 O ATOM 203 N3 DT A 7 -2.487 8.925 -1.591 1.00 0.00 N ATOM 204 C4 DT A 7 -3.453 9.480 -2.405 1.00 0.00 C ATOM 205 O4 DT A 7 -4.571 9.687 -1.939 1.00 0.00 O ATOM 206 C5 DT A 7 -2.999 9.752 -3.768 1.00 0.00 C ATOM 207 C7 DT A 7 -3.907 10.430 -4.777 1.00 0.00 C ATOM 208 C6 DT A 7 -1.740 9.415 -4.152 1.00 0.00 C ATOM 0 H5' DT A 7 2.473 9.856 -7.353 1.00 0.00 H new ATOM 0 H5'' DT A 7 0.948 10.456 -6.735 1.00 0.00 H new ATOM 0 H4' DT A 7 3.093 9.397 -4.886 1.00 0.00 H new ATOM 0 H3' DT A 7 1.739 7.831 -6.860 1.00 0.00 H new ATOM 0 H2' DT A 7 -0.367 7.743 -5.693 1.00 0.00 H new ATOM 0 H2'' DT A 7 0.464 6.492 -4.790 1.00 0.00 H new ATOM 0 H1' DT A 7 0.984 7.959 -2.966 1.00 0.00 H new ATOM 0 H3 DT A 7 -2.759 8.711 -0.632 1.00 0.00 H new ATOM 0 H71 DT A 7 -3.304 11.005 -5.480 1.00 0.00 H new ATOM 0 H72 DT A 7 -4.476 9.675 -5.319 1.00 0.00 H new ATOM 0 H73 DT A 7 -4.594 11.098 -4.257 1.00 0.00 H new ATOM 0 H6 DT A 7 -1.424 9.637 -5.160 1.00 0.00 H new ATOM 221 P DC A 8 4.134 6.784 -6.243 1.00 0.00 P ATOM 222 OP1 DC A 8 5.240 7.465 -5.543 1.00 0.00 O ATOM 223 OP2 DC A 8 3.819 7.124 -7.648 1.00 0.00 O ATOM 224 O5' DC A 8 4.331 5.187 -6.141 1.00 0.00 O ATOM 225 C5' DC A 8 4.907 4.605 -4.982 1.00 0.00 C ATOM 226 C4' DC A 8 4.152 3.358 -4.520 1.00 0.00 C ATOM 227 O4' DC A 8 2.793 3.644 -4.213 1.00 0.00 O ATOM 228 C3' DC A 8 4.155 2.211 -5.548 1.00 0.00 C ATOM 229 O3' DC A 8 4.627 1.009 -4.965 1.00 0.00 O ATOM 230 C2' DC A 8 2.675 2.005 -5.850 1.00 0.00 C ATOM 231 C1' DC A 8 2.072 2.476 -4.524 1.00 0.00 C ATOM 232 N1 DC A 8 0.609 2.744 -4.489 1.00 0.00 N ATOM 233 C2 DC A 8 -0.051 2.546 -3.272 1.00 0.00 C ATOM 234 O2 DC A 8 0.534 2.258 -2.226 1.00 0.00 O ATOM 235 N3 DC A 8 -1.398 2.668 -3.192 1.00 0.00 N ATOM 236 C4 DC A 8 -2.078 3.031 -4.264 1.00 0.00 C ATOM 237 N4 DC A 8 -3.373 3.133 -4.097 1.00 0.00 N ATOM 238 C5 DC A 8 -1.452 3.334 -5.509 1.00 0.00 C ATOM 239 C6 DC A 8 -0.104 3.181 -5.583 1.00 0.00 C ATOM 0 H5' DC A 8 4.917 5.339 -4.177 1.00 0.00 H new ATOM 0 H5'' DC A 8 5.945 4.343 -5.188 1.00 0.00 H new ATOM 0 H4' DC A 8 4.695 3.037 -3.631 1.00 0.00 H new ATOM 0 H3' DC A 8 4.781 2.445 -6.409 1.00 0.00 H new ATOM 0 H2' DC A 8 2.335 2.599 -6.698 1.00 0.00 H new ATOM 0 H2'' DC A 8 2.435 0.965 -6.072 1.00 0.00 H new ATOM 0 H1' DC A 8 2.161 1.663 -3.804 1.00 0.00 H new ATOM 0 H41 DC A 8 -3.968 3.409 -4.878 1.00 0.00 H new ATOM 0 H42 DC A 8 -3.787 2.937 -3.186 1.00 0.00 H new ATOM 0 H5 DC A 8 -2.026 3.672 -6.359 1.00 0.00 H new ATOM 0 H6 DC A 8 0.412 3.404 -6.506 1.00 0.00 H new ATOM 251 P DC A 9 6.201 0.736 -4.767 1.00 0.00 P ATOM 252 OP1 DC A 9 6.824 1.941 -4.188 1.00 0.00 O ATOM 253 OP2 DC A 9 6.735 0.149 -6.013 1.00 0.00 O ATOM 254 O5' DC A 9 6.197 -0.404 -3.637 1.00 0.00 O ATOM 255 C5' DC A 9 5.671 -1.683 -3.912 1.00 0.00 C ATOM 256 C4' DC A 9 6.150 -2.648 -2.832 1.00 0.00 C ATOM 257 O4' DC A 9 5.181 -2.814 -1.801 1.00 0.00 O ATOM 258 C3' DC A 9 6.498 -4.027 -3.402 1.00 0.00 C ATOM 259 O3' DC A 9 7.894 -4.129 -3.622 1.00 0.00 O ATOM 260 C2' DC A 9 5.943 -4.934 -2.312 1.00 0.00 C ATOM 261 C1' DC A 9 4.751 -4.159 -1.776 1.00 0.00 C ATOM 262 N1 DC A 9 3.461 -4.245 -2.537 1.00 0.00 N ATOM 263 C2 DC A 9 2.303 -3.708 -1.953 1.00 0.00 C ATOM 264 O2 DC A 9 2.223 -3.392 -0.763 1.00 0.00 O ATOM 265 N3 DC A 9 1.175 -3.534 -2.685 1.00 0.00 N ATOM 266 C4 DC A 9 1.182 -3.879 -3.961 1.00 0.00 C ATOM 267 N4 DC A 9 0.057 -3.755 -4.609 1.00 0.00 N ATOM 268 C5 DC A 9 2.292 -4.498 -4.590 1.00 0.00 C ATOM 269 C6 DC A 9 3.396 -4.707 -3.835 1.00 0.00 C ATOM 0 H5' DC A 9 5.997 -2.023 -4.895 1.00 0.00 H new ATOM 0 H5'' DC A 9 4.582 -1.648 -3.932 1.00 0.00 H new ATOM 0 H4' DC A 9 7.050 -2.197 -2.414 1.00 0.00 H new ATOM 0 H3' DC A 9 6.085 -4.271 -4.381 1.00 0.00 H new ATOM 0 H2' DC A 9 5.645 -5.904 -2.711 1.00 0.00 H new ATOM 0 H2'' DC A 9 6.682 -5.123 -1.533 1.00 0.00 H new ATOM 0 H1' DC A 9 4.498 -4.585 -0.805 1.00 0.00 H new ATOM 0 H41 DC A 9 0.007 -4.007 -5.596 1.00 0.00 H new ATOM 0 H42 DC A 9 -0.772 -3.406 -4.129 1.00 0.00 H new ATOM 0 H5 DC A 9 2.258 -4.791 -5.629 1.00 0.00 H new ATOM 0 H6 DC A 9 4.236 -5.242 -4.254 1.00 0.00 H new ATOM 281 P DA A 10 8.557 -5.467 -4.204 1.00 0.00 P ATOM 282 OP1 DA A 10 9.977 -5.112 -4.416 1.00 0.00 O ATOM 283 OP2 DA A 10 7.764 -5.958 -5.350 1.00 0.00 O ATOM 284 O5' DA A 10 8.418 -6.487 -2.984 1.00 0.00 O ATOM 285 C5' DA A 10 9.027 -6.178 -1.749 1.00 0.00 C ATOM 286 C4' DA A 10 8.590 -7.086 -0.600 1.00 0.00 C ATOM 287 O4' DA A 10 7.271 -6.901 -0.072 1.00 0.00 O ATOM 288 C3' DA A 10 8.699 -8.588 -0.955 1.00 0.00 C ATOM 289 O3' DA A 10 9.524 -9.264 -0.015 1.00 0.00 O ATOM 290 C2' DA A 10 7.261 -9.060 -0.788 1.00 0.00 C ATOM 291 C1' DA A 10 6.895 -8.187 0.391 1.00 0.00 C ATOM 292 N9 DA A 10 5.524 -8.402 0.842 1.00 0.00 N ATOM 293 C8 DA A 10 4.418 -8.715 0.107 1.00 0.00 C ATOM 294 N7 DA A 10 3.429 -9.195 0.826 1.00 0.00 N ATOM 295 C5 DA A 10 3.927 -9.143 2.151 1.00 0.00 C ATOM 296 C6 DA A 10 3.451 -9.419 3.467 1.00 0.00 C ATOM 297 N6 DA A 10 2.274 -9.879 3.819 1.00 0.00 N ATOM 298 N1 DA A 10 4.199 -9.192 4.547 1.00 0.00 N ATOM 299 C2 DA A 10 5.421 -8.733 4.362 1.00 0.00 C ATOM 300 N3 DA A 10 6.039 -8.491 3.216 1.00 0.00 N ATOM 301 C4 DA A 10 5.215 -8.685 2.146 1.00 0.00 C ATOM 0 H5' DA A 10 8.797 -5.144 -1.490 1.00 0.00 H new ATOM 0 H5'' DA A 10 10.109 -6.246 -1.861 1.00 0.00 H new ATOM 0 H4' DA A 10 9.298 -6.776 0.169 1.00 0.00 H new ATOM 0 H3' DA A 10 9.127 -8.771 -1.941 1.00 0.00 H new ATOM 0 H2' DA A 10 6.645 -8.870 -1.667 1.00 0.00 H new ATOM 0 H2'' DA A 10 7.185 -10.125 -0.570 1.00 0.00 H new ATOM 0 HO3' DA A 10 9.581 -10.213 -0.253 1.00 0.00 H new ATOM 0 H1' DA A 10 7.404 -8.402 1.330 1.00 0.00 H new ATOM 0 H8 DA A 10 4.361 -8.581 -0.963 1.00 0.00 H new ATOM 0 H61 DA A 10 2.061 -10.033 4.804 1.00 0.00 H new ATOM 0 H62 DA A 10 1.572 -10.083 3.107 1.00 0.00 H new ATOM 0 H2 DA A 10 5.989 -8.529 5.257 1.00 0.00 H new TER 314 DA A 10 ATOM 315 O5' DT B 1 -3.458 6.075 6.878 1.00 0.00 O ATOM 316 C5' DT B 1 -4.867 6.078 6.684 1.00 0.00 C ATOM 317 C4' DT B 1 -5.274 6.101 5.204 1.00 0.00 C ATOM 318 O4' DT B 1 -4.850 7.317 4.599 1.00 0.00 O ATOM 319 C3' DT B 1 -4.673 4.961 4.371 1.00 0.00 C ATOM 320 O3' DT B 1 -5.524 3.857 4.138 1.00 0.00 O ATOM 321 C2' DT B 1 -4.444 5.624 3.022 1.00 0.00 C ATOM 322 C1' DT B 1 -4.392 7.128 3.268 1.00 0.00 C ATOM 323 N1 DT B 1 -3.005 7.644 3.098 1.00 0.00 N ATOM 324 C2 DT B 1 -2.631 8.128 1.839 1.00 0.00 C ATOM 325 O2 DT B 1 -3.405 8.227 0.894 1.00 0.00 O ATOM 326 N3 DT B 1 -1.304 8.474 1.673 1.00 0.00 N ATOM 327 C4 DT B 1 -0.310 8.275 2.609 1.00 0.00 C ATOM 328 O4 DT B 1 0.854 8.459 2.281 1.00 0.00 O ATOM 329 C5 DT B 1 -0.781 7.847 3.921 1.00 0.00 C ATOM 330 C7 DT B 1 0.191 7.744 5.083 1.00 0.00 C ATOM 331 C6 DT B 1 -2.095 7.576 4.129 1.00 0.00 C ATOM 0 H5' DT B 1 -5.294 6.947 7.185 1.00 0.00 H new ATOM 0 H5'' DT B 1 -5.294 5.194 7.158 1.00 0.00 H new ATOM 0 H4' DT B 1 -6.358 5.991 5.208 1.00 0.00 H new ATOM 0 H3' DT B 1 -3.808 4.553 4.894 1.00 0.00 H new ATOM 0 H2' DT B 1 -3.514 5.274 2.573 1.00 0.00 H new ATOM 0 H2'' DT B 1 -5.247 5.374 2.328 1.00 0.00 H new ATOM 0 HO5' DT B 1 -3.260 6.062 7.838 1.00 0.00 H new ATOM 0 H1' DT B 1 -5.011 7.674 2.556 1.00 0.00 H new ATOM 0 H3 DT B 1 -1.038 8.910 0.790 1.00 0.00 H new ATOM 0 H71 DT B 1 -0.336 7.941 6.017 1.00 0.00 H new ATOM 0 H72 DT B 1 0.618 6.742 5.112 1.00 0.00 H new ATOM 0 H73 DT B 1 0.989 8.475 4.955 1.00 0.00 H new ATOM 0 H6 DT B 1 -2.432 7.303 5.118 1.00 0.00 H new ATOM 345 P DC B 2 -5.894 2.808 5.296 1.00 0.00 P ATOM 346 OP1 DC B 2 -6.975 3.398 6.116 1.00 0.00 O ATOM 347 OP2 DC B 2 -4.621 2.399 5.924 1.00 0.00 O ATOM 348 O5' DC B 2 -6.469 1.536 4.487 1.00 0.00 O ATOM 349 C5' DC B 2 -7.652 1.619 3.706 1.00 0.00 C ATOM 350 C4' DC B 2 -7.351 1.305 2.236 1.00 0.00 C ATOM 351 O4' DC B 2 -6.390 2.229 1.747 1.00 0.00 O ATOM 352 C3' DC B 2 -6.774 -0.101 2.019 1.00 0.00 C ATOM 353 O3' DC B 2 -7.819 -1.016 1.762 1.00 0.00 O ATOM 354 C2' DC B 2 -5.887 0.118 0.792 1.00 0.00 C ATOM 355 C1' DC B 2 -5.691 1.641 0.681 1.00 0.00 C ATOM 356 N1 DC B 2 -4.258 2.041 0.675 1.00 0.00 N ATOM 357 C2 DC B 2 -3.658 2.135 -0.572 1.00 0.00 C ATOM 358 O2 DC B 2 -4.263 2.141 -1.636 1.00 0.00 O ATOM 359 N3 DC B 2 -2.301 2.229 -0.607 1.00 0.00 N ATOM 360 C4 DC B 2 -1.554 2.341 0.485 1.00 0.00 C ATOM 361 N4 DC B 2 -0.261 2.374 0.323 1.00 0.00 N ATOM 362 C5 DC B 2 -2.161 2.447 1.753 1.00 0.00 C ATOM 363 C6 DC B 2 -3.513 2.287 1.816 1.00 0.00 C ATOM 0 H5' DC B 2 -8.080 2.618 3.790 1.00 0.00 H new ATOM 0 H5'' DC B 2 -8.396 0.920 4.088 1.00 0.00 H new ATOM 0 H4' DC B 2 -8.303 1.372 1.710 1.00 0.00 H new ATOM 0 H3' DC B 2 -6.233 -0.516 2.870 1.00 0.00 H new ATOM 0 H2' DC B 2 -4.930 -0.392 0.905 1.00 0.00 H new ATOM 0 H2'' DC B 2 -6.357 -0.282 -0.106 1.00 0.00 H new ATOM 0 H1' DC B 2 -6.082 1.989 -0.275 1.00 0.00 H new ATOM 0 H41 DC B 2 0.353 2.459 1.133 1.00 0.00 H new ATOM 0 H42 DC B 2 0.137 2.315 -0.614 1.00 0.00 H new ATOM 0 H5 DC B 2 -1.578 2.647 2.640 1.00 0.00 H new ATOM 0 H6 DC B 2 -4.012 2.353 2.772 1.00 0.00 H new ATOM 376 P DC B 3 -7.747 -2.581 2.162 1.00 0.00 P ATOM 377 OP1 DC B 3 -9.131 -3.083 2.147 1.00 0.00 O ATOM 378 OP2 DC B 3 -6.968 -2.731 3.428 1.00 0.00 O ATOM 379 O5' DC B 3 -6.952 -3.269 0.922 1.00 0.00 O ATOM 380 C5' DC B 3 -7.602 -3.458 -0.340 1.00 0.00 C ATOM 381 C4' DC B 3 -6.727 -4.181 -1.375 1.00 0.00 C ATOM 382 O4' DC B 3 -5.539 -3.444 -1.621 1.00 0.00 O ATOM 383 C3' DC B 3 -6.335 -5.616 -0.997 1.00 0.00 C ATOM 384 O3' DC B 3 -7.215 -6.583 -1.532 1.00 0.00 O ATOM 385 C2' DC B 3 -5.033 -5.763 -1.773 1.00 0.00 C ATOM 386 C1' DC B 3 -4.515 -4.335 -1.992 1.00 0.00 C ATOM 387 N1 DC B 3 -3.335 -4.041 -1.157 1.00 0.00 N ATOM 388 C2 DC B 3 -2.185 -3.577 -1.767 1.00 0.00 C ATOM 389 O2 DC B 3 -2.098 -3.262 -2.940 1.00 0.00 O ATOM 390 N3 DC B 3 -1.053 -3.513 -1.024 1.00 0.00 N ATOM 391 C4 DC B 3 -1.034 -3.852 0.259 1.00 0.00 C ATOM 392 N4 DC B 3 0.109 -3.786 0.868 1.00 0.00 N ATOM 393 C5 DC B 3 -2.226 -4.150 0.941 1.00 0.00 C ATOM 394 C6 DC B 3 -3.340 -4.308 0.181 1.00 0.00 C ATOM 0 H5' DC B 3 -7.895 -2.487 -0.738 1.00 0.00 H new ATOM 0 H5'' DC B 3 -8.518 -4.029 -0.187 1.00 0.00 H new ATOM 0 H4' DC B 3 -7.351 -4.247 -2.266 1.00 0.00 H new ATOM 0 H3' DC B 3 -6.313 -5.762 0.083 1.00 0.00 H new ATOM 0 H2' DC B 3 -4.311 -6.360 -1.216 1.00 0.00 H new ATOM 0 H2'' DC B 3 -5.199 -6.269 -2.724 1.00 0.00 H new ATOM 0 H1' DC B 3 -4.229 -4.230 -3.039 1.00 0.00 H new ATOM 0 H41 DC B 3 0.176 -4.036 1.855 1.00 0.00 H new ATOM 0 H42 DC B 3 0.941 -3.484 0.360 1.00 0.00 H new ATOM 0 H5 DC B 3 -2.255 -4.248 2.016 1.00 0.00 H new ATOM 0 H6 DC B 3 -4.251 -4.653 0.646 1.00 0.00 H new ATOM 407 P DT B 4 -7.843 -7.790 -0.670 1.00 0.00 P ATOM 408 OP1 DT B 4 -8.668 -8.494 -1.678 1.00 0.00 O ATOM 409 OP2 DT B 4 -8.475 -7.231 0.535 1.00 0.00 O ATOM 410 O5' DT B 4 -6.658 -8.780 -0.210 1.00 0.00 O ATOM 411 C5' DT B 4 -6.951 -10.074 0.323 1.00 0.00 C ATOM 412 C4' DT B 4 -5.727 -10.664 1.043 1.00 0.00 C ATOM 413 O4' DT B 4 -5.498 -9.858 2.207 1.00 0.00 O ATOM 414 C3' DT B 4 -5.897 -12.093 1.594 1.00 0.00 C ATOM 415 O3' DT B 4 -4.632 -12.740 1.794 1.00 0.00 O ATOM 416 C2' DT B 4 -6.616 -11.799 2.916 1.00 0.00 C ATOM 417 C1' DT B 4 -5.970 -10.492 3.393 1.00 0.00 C ATOM 418 N1 DT B 4 -6.901 -9.603 4.152 1.00 0.00 N ATOM 419 C2 DT B 4 -7.185 -9.971 5.473 1.00 0.00 C ATOM 420 O2 DT B 4 -6.738 -10.974 6.018 1.00 0.00 O ATOM 421 N3 DT B 4 -8.000 -9.132 6.193 1.00 0.00 N ATOM 422 C4 DT B 4 -8.516 -7.932 5.754 1.00 0.00 C ATOM 423 O4 DT B 4 -9.186 -7.263 6.533 1.00 0.00 O ATOM 424 C5 DT B 4 -8.171 -7.590 4.377 1.00 0.00 C ATOM 425 C7 DT B 4 -8.676 -6.289 3.778 1.00 0.00 C ATOM 426 C6 DT B 4 -7.389 -8.414 3.627 1.00 0.00 C ATOM 0 H5' DT B 4 -7.260 -10.741 -0.482 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.787 -10.004 1.018 1.00 0.00 H new ATOM 0 H4' DT B 4 -4.932 -10.683 0.297 1.00 0.00 H new ATOM 0 H3' DT B 4 -6.432 -12.777 0.935 1.00 0.00 H new ATOM 0 H2' DT B 4 -7.691 -11.686 2.772 1.00 0.00 H new ATOM 0 H2'' DT B 4 -6.474 -12.604 3.638 1.00 0.00 H new ATOM 0 H1' DT B 4 -5.171 -10.702 4.104 1.00 0.00 H new ATOM 0 H3 DT B 4 -8.246 -9.424 7.139 1.00 0.00 H new ATOM 0 H71 DT B 4 -7.964 -5.930 3.034 1.00 0.00 H new ATOM 0 H72 DT B 4 -9.643 -6.458 3.303 1.00 0.00 H new ATOM 0 H73 DT B 4 -8.784 -5.544 4.566 1.00 0.00 H new ATOM 0 H6 DT B 4 -7.145 -8.140 2.611 1.00 0.00 H new ATOM 439 P DT B 5 -4.488 -14.240 2.413 1.00 0.00 P ATOM 440 OP1 DT B 5 -5.817 -14.900 2.369 1.00 0.00 O ATOM 441 OP2 DT B 5 -3.735 -14.157 3.668 1.00 0.00 O ATOM 442 O5' DT B 5 -3.588 -15.142 1.424 1.00 0.00 O ATOM 443 C5' DT B 5 -2.191 -15.196 1.386 1.00 0.00 C ATOM 444 C4' DT B 5 -1.603 -13.935 0.772 1.00 0.00 C ATOM 445 O4' DT B 5 -0.257 -13.754 1.165 1.00 0.00 O ATOM 446 C3' DT B 5 -1.690 -13.814 -0.746 1.00 0.00 C ATOM 447 O3' DT B 5 -2.657 -12.868 -1.141 1.00 0.00 O ATOM 448 C2' DT B 5 -0.306 -13.367 -1.099 1.00 0.00 C ATOM 449 C1' DT B 5 0.375 -12.929 0.207 1.00 0.00 C ATOM 450 N1 DT B 5 1.848 -13.085 0.265 1.00 0.00 N ATOM 451 C2 DT B 5 2.534 -12.825 1.462 1.00 0.00 C ATOM 452 O2 DT B 5 2.013 -12.703 2.562 1.00 0.00 O ATOM 453 N3 DT B 5 3.902 -12.717 1.372 1.00 0.00 N ATOM 454 C4 DT B 5 4.651 -12.832 0.222 1.00 0.00 C ATOM 455 O4 DT B 5 5.865 -12.689 0.298 1.00 0.00 O ATOM 456 C5 DT B 5 3.876 -13.130 -0.981 1.00 0.00 C ATOM 457 C7 DT B 5 4.568 -13.315 -2.319 1.00 0.00 C ATOM 458 C6 DT B 5 2.525 -13.249 -0.911 1.00 0.00 C ATOM 0 H5' DT B 5 -1.875 -16.065 0.809 1.00 0.00 H new ATOM 0 H5'' DT B 5 -1.803 -15.326 2.396 1.00 0.00 H new ATOM 0 H4' DT B 5 -2.246 -13.149 1.168 1.00 0.00 H new ATOM 0 H3' DT B 5 -1.996 -14.735 -1.242 1.00 0.00 H new ATOM 0 H2' DT B 5 0.251 -14.176 -1.571 1.00 0.00 H new ATOM 0 H2'' DT B 5 -0.338 -12.543 -1.812 1.00 0.00 H new ATOM 0 H1' DT B 5 0.261 -11.855 0.354 1.00 0.00 H new ATOM 0 H3 DT B 5 4.409 -12.535 2.238 1.00 0.00 H new ATOM 0 H71 DT B 5 3.994 -14.009 -2.933 1.00 0.00 H new ATOM 0 H72 DT B 5 4.639 -12.354 -2.828 1.00 0.00 H new ATOM 0 H73 DT B 5 5.569 -13.716 -2.159 1.00 0.00 H new ATOM 0 H6 DT B 5 1.971 -13.479 -1.809 1.00 0.00 H new ATOM 471 P DT B 6 -3.996 -13.290 -1.919 1.00 0.00 P ATOM 472 OP1 DT B 6 -4.744 -14.271 -1.102 1.00 0.00 O ATOM 473 OP2 DT B 6 -3.615 -13.674 -3.282 1.00 0.00 O ATOM 474 O5' DT B 6 -4.766 -11.860 -1.919 1.00 0.00 O ATOM 475 C5' DT B 6 -5.145 -11.136 -3.100 1.00 0.00 C ATOM 476 C4' DT B 6 -4.103 -10.241 -3.815 1.00 0.00 C ATOM 477 O4' DT B 6 -3.343 -9.460 -2.912 1.00 0.00 O ATOM 478 C3' DT B 6 -3.122 -10.963 -4.742 1.00 0.00 C ATOM 479 O3' DT B 6 -2.902 -10.276 -5.967 1.00 0.00 O ATOM 480 C2' DT B 6 -1.830 -10.973 -3.952 1.00 0.00 C ATOM 481 C1' DT B 6 -1.958 -9.732 -3.077 1.00 0.00 C ATOM 482 N1 DT B 6 -1.290 -9.869 -1.758 1.00 0.00 N ATOM 483 C2 DT B 6 0.111 -9.871 -1.703 1.00 0.00 C ATOM 484 O2 DT B 6 0.834 -10.042 -2.679 1.00 0.00 O ATOM 485 N3 DT B 6 0.672 -9.682 -0.458 1.00 0.00 N ATOM 486 C4 DT B 6 -0.023 -9.726 0.730 1.00 0.00 C ATOM 487 O4 DT B 6 0.596 -9.700 1.775 1.00 0.00 O ATOM 488 C5 DT B 6 -1.454 -9.888 0.608 1.00 0.00 C ATOM 489 C7 DT B 6 -2.271 -9.960 1.874 1.00 0.00 C ATOM 490 C6 DT B 6 -2.046 -9.933 -0.612 1.00 0.00 C ATOM 0 H5' DT B 6 -5.993 -10.503 -2.837 1.00 0.00 H new ATOM 0 H5'' DT B 6 -5.504 -11.864 -3.828 1.00 0.00 H new ATOM 0 H4' DT B 6 -4.740 -9.613 -4.438 1.00 0.00 H new ATOM 0 H3' DT B 6 -3.503 -11.947 -5.017 1.00 0.00 H new ATOM 0 H2' DT B 6 -1.728 -11.879 -3.355 1.00 0.00 H new ATOM 0 H2'' DT B 6 -0.958 -10.920 -4.603 1.00 0.00 H new ATOM 0 H1' DT B 6 -1.449 -8.906 -3.574 1.00 0.00 H new ATOM 0 H3 DT B 6 1.674 -9.496 -0.414 1.00 0.00 H new ATOM 0 H71 DT B 6 -3.267 -9.557 1.688 1.00 0.00 H new ATOM 0 H72 DT B 6 -2.354 -10.998 2.195 1.00 0.00 H new ATOM 0 H73 DT B 6 -1.784 -9.376 2.655 1.00 0.00 H new ATOM 0 H6 DT B 6 -3.120 -10.020 -0.683 1.00 0.00 H new ATOM 503 P DT B 7 -4.035 -10.221 -7.117 1.00 0.00 P ATOM 504 OP1 DT B 7 -4.913 -11.400 -6.960 1.00 0.00 O ATOM 505 OP2 DT B 7 -3.373 -9.947 -8.410 1.00 0.00 O ATOM 506 O5' DT B 7 -4.888 -8.918 -6.700 1.00 0.00 O ATOM 507 C5' DT B 7 -4.389 -7.611 -6.904 1.00 0.00 C ATOM 508 C4' DT B 7 -4.378 -6.837 -5.583 1.00 0.00 C ATOM 509 O4' DT B 7 -3.280 -7.234 -4.775 1.00 0.00 O ATOM 510 C3' DT B 7 -4.231 -5.337 -5.850 1.00 0.00 C ATOM 511 O3' DT B 7 -5.163 -4.592 -5.094 1.00 0.00 O ATOM 512 C2' DT B 7 -2.820 -5.047 -5.370 1.00 0.00 C ATOM 513 C1' DT B 7 -2.604 -6.107 -4.261 1.00 0.00 C ATOM 514 N1 DT B 7 -1.188 -6.520 -4.045 1.00 0.00 N ATOM 515 C2 DT B 7 -0.647 -6.600 -2.757 1.00 0.00 C ATOM 516 O2 DT B 7 -1.288 -6.390 -1.735 1.00 0.00 O ATOM 517 N3 DT B 7 0.674 -6.993 -2.665 1.00 0.00 N ATOM 518 C4 DT B 7 1.486 -7.371 -3.712 1.00 0.00 C ATOM 519 O4 DT B 7 2.665 -7.636 -3.490 1.00 0.00 O ATOM 520 C5 DT B 7 0.810 -7.403 -5.005 1.00 0.00 C ATOM 521 C7 DT B 7 1.541 -7.897 -6.237 1.00 0.00 C ATOM 522 C6 DT B 7 -0.476 -6.984 -5.121 1.00 0.00 C ATOM 0 H5' DT B 7 -5.006 -7.088 -7.635 1.00 0.00 H new ATOM 0 H5'' DT B 7 -3.380 -7.659 -7.314 1.00 0.00 H new ATOM 0 H4' DT B 7 -5.318 -7.049 -5.073 1.00 0.00 H new ATOM 0 H3' DT B 7 -4.407 -5.071 -6.892 1.00 0.00 H new ATOM 0 H2' DT B 7 -2.091 -5.150 -6.174 1.00 0.00 H new ATOM 0 H2'' DT B 7 -2.726 -4.033 -4.982 1.00 0.00 H new ATOM 0 H1' DT B 7 -2.943 -5.707 -3.305 1.00 0.00 H new ATOM 0 H3 DT B 7 1.088 -7.004 -1.733 1.00 0.00 H new ATOM 0 H71 DT B 7 0.828 -8.347 -6.927 1.00 0.00 H new ATOM 0 H72 DT B 7 2.039 -7.059 -6.725 1.00 0.00 H new ATOM 0 H73 DT B 7 2.283 -8.641 -5.946 1.00 0.00 H new ATOM 0 H6 DT B 7 -0.952 -7.017 -6.090 1.00 0.00 H new ATOM 535 P DC B 8 -6.730 -4.585 -5.469 1.00 0.00 P ATOM 536 OP1 DC B 8 -7.378 -5.707 -4.746 1.00 0.00 O ATOM 537 OP2 DC B 8 -6.843 -4.496 -6.939 1.00 0.00 O ATOM 538 O5' DC B 8 -7.226 -3.206 -4.814 1.00 0.00 O ATOM 539 C5' DC B 8 -6.999 -1.965 -5.456 1.00 0.00 C ATOM 540 C4' DC B 8 -6.362 -0.965 -4.488 1.00 0.00 C ATOM 541 O4' DC B 8 -5.000 -1.320 -4.240 1.00 0.00 O ATOM 542 C3' DC B 8 -6.333 0.429 -5.132 1.00 0.00 C ATOM 543 O3' DC B 8 -6.609 1.439 -4.183 1.00 0.00 O ATOM 544 C2' DC B 8 -4.888 0.574 -5.553 1.00 0.00 C ATOM 545 C1' DC B 8 -4.231 -0.144 -4.371 1.00 0.00 C ATOM 546 N1 DC B 8 -2.782 -0.449 -4.516 1.00 0.00 N ATOM 547 C2 DC B 8 -1.970 -0.395 -3.375 1.00 0.00 C ATOM 548 O2 DC B 8 -2.414 -0.267 -2.231 1.00 0.00 O ATOM 549 N3 DC B 8 -0.622 -0.497 -3.489 1.00 0.00 N ATOM 550 C4 DC B 8 -0.089 -0.702 -4.679 1.00 0.00 C ATOM 551 N4 DC B 8 1.217 -0.791 -4.719 1.00 0.00 N ATOM 552 C5 DC B 8 -0.869 -0.864 -5.857 1.00 0.00 C ATOM 553 C6 DC B 8 -2.213 -0.731 -5.738 1.00 0.00 C ATOM 0 H5' DC B 8 -7.941 -1.566 -5.831 1.00 0.00 H new ATOM 0 H5'' DC B 8 -6.348 -2.109 -6.318 1.00 0.00 H new ATOM 0 H4' DC B 8 -6.945 -0.971 -3.567 1.00 0.00 H new ATOM 0 H3' DC B 8 -7.065 0.525 -5.934 1.00 0.00 H new ATOM 0 H2' DC B 8 -4.676 0.095 -6.509 1.00 0.00 H new ATOM 0 H2'' DC B 8 -4.576 1.615 -5.642 1.00 0.00 H new ATOM 0 H1' DC B 8 -4.231 0.500 -3.492 1.00 0.00 H new ATOM 0 H41 DC B 8 1.690 -0.949 -5.609 1.00 0.00 H new ATOM 0 H42 DC B 8 1.761 -0.702 -3.861 1.00 0.00 H new ATOM 0 H5 DC B 8 -0.409 -1.084 -6.809 1.00 0.00 H new ATOM 0 H6 DC B 8 -2.842 -0.847 -6.608 1.00 0.00 H new ATOM 565 P DC B 9 -7.977 2.257 -4.293 1.00 0.00 P ATOM 566 OP1 DC B 9 -9.068 1.263 -4.344 1.00 0.00 O ATOM 567 OP2 DC B 9 -7.801 3.224 -5.400 1.00 0.00 O ATOM 568 O5' DC B 9 -8.046 3.055 -2.897 1.00 0.00 O ATOM 569 C5' DC B 9 -7.619 4.399 -2.802 1.00 0.00 C ATOM 570 C4' DC B 9 -7.930 4.951 -1.405 1.00 0.00 C ATOM 571 O4' DC B 9 -6.797 4.840 -0.547 1.00 0.00 O ATOM 572 C3' DC B 9 -8.334 6.449 -1.438 1.00 0.00 C ATOM 573 O3' DC B 9 -9.665 6.808 -1.062 1.00 0.00 O ATOM 574 C2' DC B 9 -7.302 7.127 -0.542 1.00 0.00 C ATOM 575 C1' DC B 9 -6.186 6.107 -0.404 1.00 0.00 C ATOM 576 N1 DC B 9 -5.078 6.210 -1.402 1.00 0.00 N ATOM 577 C2 DC B 9 -3.847 5.624 -1.082 1.00 0.00 C ATOM 578 O2 DC B 9 -3.597 5.138 0.022 1.00 0.00 O ATOM 579 N3 DC B 9 -2.844 5.585 -1.993 1.00 0.00 N ATOM 580 C4 DC B 9 -3.060 6.083 -3.198 1.00 0.00 C ATOM 581 N4 DC B 9 -2.051 6.061 -4.024 1.00 0.00 N ATOM 582 C5 DC B 9 -4.278 6.700 -3.583 1.00 0.00 C ATOM 583 C6 DC B 9 -5.254 6.768 -2.650 1.00 0.00 C ATOM 0 H5' DC B 9 -8.119 5.002 -3.560 1.00 0.00 H new ATOM 0 H5'' DC B 9 -6.549 4.464 -2.998 1.00 0.00 H new ATOM 0 H4' DC B 9 -8.763 4.355 -1.032 1.00 0.00 H new ATOM 0 H3' DC B 9 -8.340 6.771 -2.479 1.00 0.00 H new ATOM 0 H2' DC B 9 -6.939 8.054 -0.986 1.00 0.00 H new ATOM 0 H2'' DC B 9 -7.727 7.384 0.428 1.00 0.00 H new ATOM 0 H1' DC B 9 -5.708 6.281 0.560 1.00 0.00 H new ATOM 0 H41 DC B 9 -2.157 6.431 -4.968 1.00 0.00 H new ATOM 0 H42 DC B 9 -1.156 5.673 -3.726 1.00 0.00 H new ATOM 0 H5 DC B 9 -4.419 7.098 -4.577 1.00 0.00 H new ATOM 0 H6 DC B 9 -6.183 7.266 -2.885 1.00 0.00 H new ATOM 595 P DA B 10 -10.547 6.053 0.074 1.00 0.00 P ATOM 596 OP1 DA B 10 -10.980 4.741 -0.441 1.00 0.00 O ATOM 597 OP2 DA B 10 -11.554 7.012 0.589 1.00 0.00 O ATOM 598 O5' DA B 10 -9.436 5.816 1.219 1.00 0.00 O ATOM 599 C5' DA B 10 -9.518 6.384 2.508 1.00 0.00 C ATOM 600 C4' DA B 10 -9.155 7.872 2.696 1.00 0.00 C ATOM 601 O4' DA B 10 -7.794 8.126 3.034 1.00 0.00 O ATOM 602 C3' DA B 10 -9.513 8.979 1.667 1.00 0.00 C ATOM 603 O3' DA B 10 -10.577 9.790 2.136 1.00 0.00 O ATOM 604 C2' DA B 10 -8.257 9.850 1.567 1.00 0.00 C ATOM 605 C1' DA B 10 -7.603 9.530 2.893 1.00 0.00 C ATOM 606 N9 DA B 10 -6.209 9.953 3.057 1.00 0.00 N ATOM 607 C8 DA B 10 -5.267 10.369 2.151 1.00 0.00 C ATOM 608 N7 DA B 10 -4.138 10.749 2.708 1.00 0.00 N ATOM 609 C5 DA B 10 -4.369 10.543 4.089 1.00 0.00 C ATOM 610 C6 DA B 10 -3.622 10.623 5.299 1.00 0.00 C ATOM 611 N6 DA B 10 -2.368 10.983 5.438 1.00 0.00 N ATOM 612 N1 DA B 10 -4.137 10.228 6.467 1.00 0.00 N ATOM 613 C2 DA B 10 -5.393 9.817 6.482 1.00 0.00 C ATOM 614 N3 DA B 10 -6.244 9.762 5.471 1.00 0.00 N ATOM 615 C4 DA B 10 -5.647 10.102 4.294 1.00 0.00 C ATOM 0 H5' DA B 10 -8.872 5.802 3.165 1.00 0.00 H new ATOM 0 H5'' DA B 10 -10.539 6.247 2.863 1.00 0.00 H new ATOM 0 H4' DA B 10 -9.878 7.980 3.505 1.00 0.00 H new ATOM 0 H3' DA B 10 -9.820 8.541 0.717 1.00 0.00 H new ATOM 0 H2' DA B 10 -7.630 9.579 0.718 1.00 0.00 H new ATOM 0 H2'' DA B 10 -8.493 10.909 1.464 1.00 0.00 H new ATOM 0 HO3' DA B 10 -10.781 10.479 1.470 1.00 0.00 H new ATOM 0 H1' DA B 10 -8.064 10.112 3.691 1.00 0.00 H new ATOM 0 H8 DA B 10 -5.436 10.383 1.084 1.00 0.00 H new ATOM 0 H61 DA B 10 -1.942 11.000 6.365 1.00 0.00 H new ATOM 0 H62 DA B 10 -1.819 11.245 4.619 1.00 0.00 H new ATOM 0 H2 DA B 10 -5.771 9.485 7.438 1.00 0.00 H new TER 628 DA B 10