USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 348 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 : 1 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : 1 1 DT O5' : rot 180:sc= -1.9! USER MOD Single : 1 4 DT C7 :methyl -30:sc= -2.73 (180deg=-6.25!) USER MOD Single : 1 6 DT C7 :methyl -30:sc= -2.59 (180deg=-6.01!) USER MOD Single : 1 9 DT C7 :methyl -30:sc= -4.9! (180deg=-5.04!) USER MOD Single : 1 10 DT C7 :methyl -30:sc= -0.319 (180deg=-3.3!) USER MOD Single : 1 13 DT C7 :methyl -30:sc= -2.65 (180deg=-6.05!) USER MOD Single : 1 14 DT C7 :methyl -30:sc= -1.76 (180deg=-4.13!) USER MOD Single : 1 15 DA O3' : rot 180:sc= 0 USER MOD Single : 2 16 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : 2 16 DT O5' : rot 180:sc= -1.91! USER MOD Single : 2 19 DT C7 :methyl -30:sc= -0.537 (180deg=-2.12) USER MOD Single : 2 20 DT C7 :methyl -30:sc= -3.05 (180deg=-7.01!) USER MOD Single : 2 24 DT C7 :methyl -30:sc= -4.02! (180deg=-5.23!) USER MOD Single : 2 26 DT C7 :methyl -30:sc= -1.89 (180deg=-5.64!) USER MOD Single : 2 28 DT C7 :methyl -30:sc= -3.66! (180deg=-6.34!) USER MOD Single : 2 29 DT C7 :methyl -30:sc= -1.66 (180deg=-5.95!) 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1.00 0.00 C ATOM 113 C7 DT 1 4 5.209 -0.294 -15.655 1.00 0.00 C ATOM 114 C6 DT 1 4 3.890 1.778 -15.234 1.00 0.00 C ATOM 0 H5' DT 1 4 4.220 4.716 -18.248 1.00 0.00 H new ATOM 0 H5'' DT 1 4 5.214 6.034 -17.659 1.00 0.00 H new ATOM 0 H4' DT 1 4 3.107 6.405 -16.828 1.00 0.00 H new ATOM 0 H3' DT 1 4 5.059 6.342 -14.926 1.00 0.00 H new ATOM 0 H2' DT 1 4 4.894 3.958 -14.444 1.00 0.00 H new ATOM 0 H2'' DT 1 4 3.937 4.687 -13.169 1.00 0.00 H new ATOM 0 H1' DT 1 4 1.913 4.229 -14.208 1.00 0.00 H new ATOM 0 H3 DT 1 4 0.880 -0.089 -14.203 1.00 0.00 H new ATOM 0 H71 DT 1 4 5.262 -1.239 -15.115 1.00 0.00 H new ATOM 0 H72 DT 1 4 5.186 -0.490 -16.727 1.00 0.00 H new ATOM 0 H73 DT 1 4 6.084 0.311 -15.415 1.00 0.00 H new ATOM 0 H6 DT 1 4 4.759 2.348 -15.529 1.00 0.00 H new ATOM 127 P DA 1 5 3.144 7.138 -12.802 1.00 0.00 P ATOM 128 OP1 DA 1 5 3.052 8.603 -12.572 1.00 0.00 O ATOM 129 OP2 DA 1 5 4.236 6.369 -12.150 1.00 0.00 O ATOM 130 O5' DA 1 5 1.756 6.490 -12.363 1.00 0.00 O ATOM 131 C5' DA 1 5 0.523 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-7.452 -4.648 -2.324 1.00 0.00 O ATOM 227 C5' DC 1 8 -7.181 -5.985 -2.746 1.00 0.00 C ATOM 228 C4' DC 1 8 -5.863 -6.459 -2.180 1.00 0.00 C ATOM 229 O4' DC 1 8 -4.811 -5.539 -2.548 1.00 0.00 O ATOM 230 C3' DC 1 8 -5.800 -6.518 -0.659 1.00 0.00 C ATOM 231 O3' DC 1 8 -6.329 -7.764 -0.185 1.00 0.00 O ATOM 232 C2' DC 1 8 -4.310 -6.414 -0.390 1.00 0.00 C ATOM 233 C1' DC 1 8 -3.801 -5.545 -1.540 1.00 0.00 C ATOM 234 N1 DC 1 8 -3.510 -4.148 -1.164 1.00 0.00 N ATOM 235 C2 DC 1 8 -2.173 -3.773 -0.932 1.00 0.00 C ATOM 236 O2 DC 1 8 -1.274 -4.621 -1.060 1.00 0.00 O ATOM 237 N3 DC 1 8 -1.898 -2.497 -0.575 1.00 0.00 N ATOM 238 C4 DC 1 8 -2.888 -1.611 -0.446 1.00 0.00 C ATOM 239 N4 DC 1 8 -2.568 -0.364 -0.089 1.00 0.00 N ATOM 240 C5 DC 1 8 -4.252 -1.961 -0.677 1.00 0.00 C ATOM 241 C6 DC 1 8 -4.514 -3.227 -1.035 1.00 0.00 C ATOM 0 H5' DC 1 8 -7.154 -6.031 -3.835 1.00 0.00 H new ATOM 0 H5'' DC 1 8 -7.983 -6.646 -2.419 1.00 0.00 H new ATOM 0 H4' DC 1 8 -5.749 -7.464 -2.587 1.00 0.00 H new ATOM 0 H3' DC 1 8 -6.382 -5.743 -0.160 1.00 0.00 H new ATOM 0 H2' DC 1 8 -4.108 -5.957 0.579 1.00 0.00 H new ATOM 0 H2'' DC 1 8 -3.833 -7.394 -0.386 1.00 0.00 H new ATOM 0 H1' DC 1 8 -2.857 -5.973 -1.877 1.00 0.00 H new ATOM 0 H41 DC 1 8 -3.299 0.339 0.019 1.00 0.00 H new ATOM 0 H42 DC 1 8 -1.593 -0.115 0.076 1.00 0.00 H new ATOM 0 H5 DC 1 8 -5.043 -1.234 -0.568 1.00 0.00 H new ATOM 0 H6 DC 1 8 -5.535 -3.525 -1.225 1.00 0.00 H new ATOM 253 P DT 1 9 -6.660 -7.955 1.381 1.00 0.00 P ATOM 254 OP1 DT 1 9 -7.602 -9.095 1.514 1.00 0.00 O ATOM 255 OP2 DT 1 9 -7.031 -6.633 1.945 1.00 0.00 O ATOM 256 O5' DT 1 9 -5.264 -8.395 2.012 1.00 0.00 O ATOM 257 C5' DT 1 9 -4.648 -9.622 1.624 1.00 0.00 C ATOM 258 C4' DT 1 9 -3.278 -9.750 2.251 1.00 0.00 C ATOM 259 O4' DT 1 9 -2.538 -8.519 2.051 1.00 0.00 O ATOM 260 C3' DT 1 9 -3.284 -9.978 3.763 1.00 0.00 C ATOM 261 O3' DT 1 9 -2.173 -10.807 4.142 1.00 0.00 O ATOM 262 C2' DT 1 9 -3.170 -8.571 4.326 1.00 0.00 C ATOM 263 C1' DT 1 9 -2.306 -7.866 3.293 1.00 0.00 C ATOM 264 N1 DT 1 9 -2.601 -6.423 3.130 1.00 0.00 N ATOM 265 C2 DT 1 9 -1.586 -5.516 3.365 1.00 0.00 C ATOM 266 O2 DT 1 9 -0.450 -5.842 3.681 1.00 0.00 O ATOM 267 N3 DT 1 9 -1.950 -4.202 3.216 1.00 0.00 N ATOM 268 C4 DT 1 9 -3.191 -3.714 2.860 1.00 0.00 C ATOM 269 O4 DT 1 9 -3.373 -2.503 2.781 1.00 0.00 O ATOM 270 C5 DT 1 9 -4.201 -4.715 2.619 1.00 0.00 C ATOM 271 C7 DT 1 9 -5.577 -4.272 2.238 1.00 0.00 C ATOM 272 C6 DT 1 9 -3.865 -6.006 2.761 1.00 0.00 C ATOM 0 H5' DT 1 9 -4.563 -9.665 0.538 1.00 0.00 H new ATOM 0 H5'' DT 1 9 -5.273 -10.461 1.928 1.00 0.00 H new ATOM 0 H4' DT 1 9 -2.835 -10.620 1.767 1.00 0.00 H new ATOM 0 H3' DT 1 9 -4.170 -10.496 4.132 1.00 0.00 H new ATOM 0 H2' DT 1 9 -4.146 -8.096 4.430 1.00 0.00 H new ATOM 0 H2'' DT 1 9 -2.707 -8.566 5.313 1.00 0.00 H new ATOM 0 H1' DT 1 9 -1.271 -7.923 3.631 1.00 0.00 H new ATOM 0 H3 DT 1 9 -1.222 -3.508 3.387 1.00 0.00 H new ATOM 0 H71 DT 1 9 -5.784 -3.300 2.686 1.00 0.00 H new ATOM 0 H72 DT 1 9 -5.647 -4.193 1.153 1.00 0.00 H new ATOM 0 H73 DT 1 9 -6.306 -4.999 2.596 1.00 0.00 H new ATOM 0 H6 DT 1 9 -4.620 -6.756 2.578 1.00 0.00 H new ATOM 285 P DT 1 10 -1.666 -10.840 5.674 1.00 0.00 P ATOM 286 OP1 DT 1 10 -1.018 -12.158 5.890 1.00 0.00 O ATOM 287 OP2 DT 1 10 -2.769 -10.413 6.575 1.00 0.00 O ATOM 288 O5' DT 1 10 -0.525 -9.729 5.711 1.00 0.00 O ATOM 289 C5' DT 1 10 0.449 -9.663 4.670 1.00 0.00 C ATOM 290 C4' DT 1 10 1.624 -8.805 5.082 1.00 0.00 C ATOM 291 O4' DT 1 10 1.225 -7.411 5.054 1.00 0.00 O ATOM 292 C3' DT 1 10 2.149 -9.053 6.497 1.00 0.00 C ATOM 293 O3' DT 1 10 3.574 -8.865 6.527 1.00 0.00 O ATOM 294 C2' DT 1 10 1.399 -8.025 7.332 1.00 0.00 C ATOM 295 C1' DT 1 10 1.241 -6.858 6.363 1.00 0.00 C ATOM 296 N1 DT 1 10 0.009 -6.048 6.546 1.00 0.00 N ATOM 297 C2 DT 1 10 0.168 -4.682 6.681 1.00 0.00 C ATOM 298 O2 DT 1 10 1.251 -4.120 6.624 1.00 0.00 O ATOM 299 N3 DT 1 10 -0.998 -3.988 6.883 1.00 0.00 N ATOM 300 C4 DT 1 10 -2.273 -4.504 6.967 1.00 0.00 C ATOM 301 O4 DT 1 10 -3.224 -3.753 7.167 1.00 0.00 O ATOM 302 C5 DT 1 10 -2.371 -5.936 6.813 1.00 0.00 C ATOM 303 C7 DT 1 10 -3.706 -6.586 6.995 1.00 0.00 C ATOM 304 C6 DT 1 10 -1.245 -6.634 6.597 1.00 0.00 C ATOM 0 H5' DT 1 10 -0.005 -9.255 3.767 1.00 0.00 H new ATOM 0 H5'' DT 1 10 0.795 -10.667 4.426 1.00 0.00 H new ATOM 0 H4' DT 1 10 2.414 -9.063 4.376 1.00 0.00 H new ATOM 0 H3' DT 1 10 1.987 -10.065 6.869 1.00 0.00 H new ATOM 0 H2' DT 1 10 0.435 -8.404 7.670 1.00 0.00 H new ATOM 0 H2'' DT 1 10 1.960 -7.739 8.222 1.00 0.00 H new ATOM 0 H1' DT 1 10 2.069 -6.173 6.546 1.00 0.00 H new ATOM 0 H3 DT 1 10 -0.911 -2.977 6.982 1.00 0.00 H new ATOM 0 H71 DT 1 10 -4.297 -6.010 7.707 1.00 0.00 H new ATOM 0 H72 DT 1 10 -4.226 -6.623 6.038 1.00 0.00 H new ATOM 0 H73 DT 1 10 -3.569 -7.599 7.373 1.00 0.00 H new ATOM 0 H6 DT 1 10 -1.320 -7.702 6.456 1.00 0.00 H new ATOM 317 P DA 1 11 4.358 -8.785 7.936 1.00 0.00 P ATOM 318 OP1 DA 1 11 5.635 -9.527 7.775 1.00 0.00 O ATOM 319 OP2 DA 1 11 3.438 -9.151 9.044 1.00 0.00 O ATOM 320 O5' DA 1 11 4.712 -7.239 8.073 1.00 0.00 O ATOM 321 C5' DA 1 11 5.494 -6.588 7.070 1.00 0.00 C ATOM 322 C4' DA 1 11 5.853 -5.184 7.502 1.00 0.00 C ATOM 323 O4' DA 1 11 4.640 -4.400 7.598 1.00 0.00 O ATOM 324 C3' DA 1 11 6.523 -5.069 8.872 1.00 0.00 C ATOM 325 O3' DA 1 11 7.471 -3.986 8.862 1.00 0.00 O ATOM 326 C2' DA 1 11 5.357 -4.826 9.813 1.00 0.00 C ATOM 327 C1' DA 1 11 4.377 -4.055 8.951 1.00 0.00 C ATOM 328 N9 DA 1 11 2.976 -4.362 9.239 1.00 0.00 N ATOM 329 C8 DA 1 11 2.374 -5.596 9.258 1.00 0.00 C ATOM 330 N7 DA 1 11 1.105 -5.558 9.586 1.00 0.00 N ATOM 331 C5 DA 1 11 0.854 -4.208 9.788 1.00 0.00 C ATOM 332 C6 DA 1 11 -0.307 -3.505 10.158 1.00 0.00 C ATOM 333 N6 DA 1 11 -1.480 -4.091 10.413 1.00 0.00 N ATOM 334 N1 DA 1 11 -0.219 -2.162 10.263 1.00 0.00 N ATOM 335 C2 DA 1 11 0.959 -1.574 10.017 1.00 0.00 C ATOM 336 N3 DA 1 11 2.116 -2.125 9.670 1.00 0.00 N ATOM 337 C4 DA 1 11 1.995 -3.459 9.569 1.00 0.00 C ATOM 0 H5' DA 1 11 4.938 -6.555 6.133 1.00 0.00 H new ATOM 0 H5'' DA 1 11 6.403 -7.160 6.882 1.00 0.00 H new ATOM 0 H4' DA 1 11 6.562 -4.837 6.750 1.00 0.00 H new ATOM 0 H3' DA 1 11 7.097 -5.947 9.168 1.00 0.00 H new ATOM 0 H2' DA 1 11 4.928 -5.761 10.174 1.00 0.00 H new ATOM 0 H2'' DA 1 11 5.659 -4.254 10.690 1.00 0.00 H new ATOM 0 H1' DA 1 11 4.516 -2.994 9.157 1.00 0.00 H new ATOM 0 H8 DA 1 11 2.897 -6.512 9.025 1.00 0.00 H new ATOM 0 H61 DA 1 11 -2.286 -3.525 10.677 1.00 0.00 H new ATOM 0 H62 DA 1 11 -1.569 -5.105 10.344 1.00 0.00 H new ATOM 0 H2 DA 1 11 0.969 -0.498 10.115 1.00 0.00 H new ATOM 349 P DA 1 12 8.106 -3.438 10.243 1.00 0.00 P ATOM 350 OP1 DA 1 12 9.544 -3.154 9.999 1.00 0.00 O ATOM 351 OP2 DA 1 12 7.722 -4.352 11.350 1.00 0.00 O ATOM 352 O5' DA 1 12 7.369 -2.044 10.473 1.00 0.00 O ATOM 353 C5' DA 1 12 7.439 -1.021 9.478 1.00 0.00 C ATOM 354 C4' DA 1 12 7.001 0.313 10.044 1.00 0.00 C ATOM 355 O4' DA 1 12 5.575 0.267 10.290 1.00 0.00 O ATOM 356 C3' DA 1 12 7.631 0.711 11.381 1.00 0.00 C ATOM 357 O3' DA 1 12 7.814 2.135 11.445 1.00 0.00 O ATOM 358 C2' DA 1 12 6.633 0.216 12.406 1.00 0.00 C ATOM 359 C1' DA 1 12 5.305 0.324 11.685 1.00 0.00 C ATOM 360 N9 DA 1 12 4.386 -0.759 12.024 1.00 0.00 N ATOM 361 C8 DA 1 12 4.653 -2.104 11.977 1.00 0.00 C ATOM 362 N7 DA 1 12 3.656 -2.856 12.378 1.00 0.00 N ATOM 363 C5 DA 1 12 2.663 -1.942 12.707 1.00 0.00 C ATOM 364 C6 DA 1 12 1.358 -2.101 13.205 1.00 0.00 C ATOM 365 N6 DA 1 12 0.811 -3.287 13.482 1.00 0.00 N ATOM 366 N1 DA 1 12 0.628 -0.985 13.417 1.00 0.00 N ATOM 367 C2 DA 1 12 1.180 0.204 13.153 1.00 0.00 C ATOM 368 N3 DA 1 12 2.397 0.482 12.690 1.00 0.00 N ATOM 369 C4 DA 1 12 3.097 -0.648 12.484 1.00 0.00 C ATOM 0 H5' DA 1 12 6.806 -1.287 8.632 1.00 0.00 H new ATOM 0 H5'' DA 1 12 8.459 -0.944 9.101 1.00 0.00 H new ATOM 0 H4' DA 1 12 7.318 1.041 9.297 1.00 0.00 H new ATOM 0 H3' DA 1 12 8.622 0.287 11.541 1.00 0.00 H new ATOM 0 H2' DA 1 12 6.843 -0.810 12.709 1.00 0.00 H new ATOM 0 H2'' DA 1 12 6.650 0.825 13.310 1.00 0.00 H new ATOM 0 H1' DA 1 12 4.827 1.257 11.983 1.00 0.00 H new ATOM 0 H8 DA 1 12 5.597 -2.506 11.641 1.00 0.00 H new ATOM 0 H61 DA 1 12 -0.142 -3.338 13.842 1.00 0.00 H new ATOM 0 H62 DA 1 12 1.346 -4.143 13.334 1.00 0.00 H new ATOM 0 H2 DA 1 12 0.549 1.060 13.342 1.00 0.00 H new ATOM 381 P DT 1 13 8.198 2.843 12.843 1.00 0.00 P ATOM 382 OP1 DT 1 13 9.098 3.984 12.534 1.00 0.00 O ATOM 383 OP2 DT 1 13 8.634 1.816 13.824 1.00 0.00 O ATOM 384 O5' DT 1 13 6.812 3.449 13.339 1.00 0.00 O ATOM 385 C5' DT 1 13 6.005 4.233 12.458 1.00 0.00 C ATOM 386 C4' DT 1 13 4.897 4.925 13.219 1.00 0.00 C ATOM 387 O4' DT 1 13 3.889 3.949 13.589 1.00 0.00 O ATOM 388 C3' DT 1 13 5.328 5.581 14.533 1.00 0.00 C ATOM 389 O3' DT 1 13 4.535 6.754 14.783 1.00 0.00 O ATOM 390 C2' DT 1 13 5.074 4.488 15.557 1.00 0.00 C ATOM 391 C1' DT 1 13 3.841 3.797 15.002 1.00 0.00 C ATOM 392 N1 DT 1 13 3.735 2.350 15.318 1.00 0.00 N ATOM 393 C2 DT 1 13 2.529 1.890 15.813 1.00 0.00 C ATOM 394 O2 DT 1 13 1.547 2.602 15.966 1.00 0.00 O ATOM 395 N3 DT 1 13 2.511 0.555 16.125 1.00 0.00 N ATOM 396 C4 DT 1 13 3.546 -0.347 15.994 1.00 0.00 C ATOM 397 O4 DT 1 13 3.384 -1.514 16.339 1.00 0.00 O ATOM 398 C5 DT 1 13 4.775 0.194 15.460 1.00 0.00 C ATOM 399 C7 DT 1 13 5.968 -0.703 15.359 1.00 0.00 C ATOM 400 C6 DT 1 13 4.812 1.497 15.139 1.00 0.00 C ATOM 0 H5' DT 1 13 5.578 3.595 11.684 1.00 0.00 H new ATOM 0 H5'' DT 1 13 6.624 4.975 11.953 1.00 0.00 H new ATOM 0 H4' DT 1 13 4.543 5.703 12.543 1.00 0.00 H new ATOM 0 H3' DT 1 13 6.362 5.925 14.544 1.00 0.00 H new ATOM 0 H2' DT 1 13 5.919 3.805 15.639 1.00 0.00 H new ATOM 0 H2'' DT 1 13 4.897 4.897 16.552 1.00 0.00 H new ATOM 0 H1' DT 1 13 2.972 4.260 15.468 1.00 0.00 H new ATOM 0 H3 DT 1 13 1.634 0.188 16.495 1.00 0.00 H new ATOM 0 H71 DT 1 13 5.927 -1.453 16.149 1.00 0.00 H new ATOM 0 H72 DT 1 13 5.969 -1.199 14.388 1.00 0.00 H new ATOM 0 H73 DT 1 13 6.878 -0.112 15.466 1.00 0.00 H new ATOM 0 H6 DT 1 13 5.724 1.899 14.722 1.00 0.00 H new ATOM 413 P DT 1 14 4.459 7.384 16.268 1.00 0.00 P ATOM 414 OP1 DT 1 14 4.259 8.848 16.114 1.00 0.00 O ATOM 415 OP2 DT 1 14 5.596 6.885 17.084 1.00 0.00 O ATOM 416 O5' DT 1 14 3.109 6.776 16.858 1.00 0.00 O ATOM 417 C5' DT 1 14 1.896 6.853 16.109 1.00 0.00 C ATOM 418 C4' DT 1 14 0.700 6.558 16.985 1.00 0.00 C ATOM 419 O4' DT 1 14 0.638 5.136 17.271 1.00 0.00 O ATOM 420 C3' DT 1 14 0.713 7.244 18.353 1.00 0.00 C ATOM 421 O3' DT 1 14 -0.642 7.549 18.742 1.00 0.00 O ATOM 422 C2' DT 1 14 1.376 6.200 19.238 1.00 0.00 C ATOM 423 C1' DT 1 14 0.831 4.906 18.662 1.00 0.00 C ATOM 424 N1 DT 1 14 1.698 3.714 18.829 1.00 0.00 N ATOM 425 C2 DT 1 14 1.113 2.571 19.341 1.00 0.00 C ATOM 426 O2 DT 1 14 -0.072 2.492 19.628 1.00 0.00 O ATOM 427 N3 DT 1 14 1.971 1.515 19.505 1.00 0.00 N ATOM 428 C4 DT 1 14 3.319 1.482 19.216 1.00 0.00 C ATOM 429 O4 DT 1 14 3.965 0.460 19.437 1.00 0.00 O ATOM 430 C5 DT 1 14 3.865 2.704 18.674 1.00 0.00 C ATOM 431 C7 DT 1 14 5.332 2.772 18.394 1.00 0.00 C ATOM 432 C6 DT 1 14 3.041 3.748 18.499 1.00 0.00 C ATOM 0 H5' DT 1 14 1.929 6.144 15.282 1.00 0.00 H new ATOM 0 H5'' DT 1 14 1.796 7.847 15.673 1.00 0.00 H new ATOM 0 H4' DT 1 14 -0.148 6.934 16.412 1.00 0.00 H new ATOM 0 H3' DT 1 14 1.241 8.196 18.397 1.00 0.00 H new ATOM 0 H2' DT 1 14 2.463 6.247 19.179 1.00 0.00 H new ATOM 0 H2'' DT 1 14 1.108 6.325 20.287 1.00 0.00 H new ATOM 0 H1' DT 1 14 -0.081 4.668 19.210 1.00 0.00 H new ATOM 0 H3 DT 1 14 1.568 0.658 19.883 1.00 0.00 H new ATOM 0 H71 DT 1 14 5.866 2.127 19.092 1.00 0.00 H new ATOM 0 H72 DT 1 14 5.523 2.440 17.373 1.00 0.00 H new ATOM 0 H73 DT 1 14 5.678 3.799 18.513 1.00 0.00 H new ATOM 0 H6 DT 1 14 3.445 4.658 18.081 1.00 0.00 H new ATOM 445 P DA 1 15 -1.012 7.851 20.286 1.00 0.00 P ATOM 446 OP1 DA 1 15 -2.014 8.948 20.296 1.00 0.00 O ATOM 447 OP2 DA 1 15 0.230 7.994 21.091 1.00 0.00 O ATOM 448 O5' DA 1 15 -1.755 6.522 20.754 1.00 0.00 O ATOM 449 C5' DA 1 15 -2.817 5.971 19.972 1.00 0.00 C ATOM 450 C4' DA 1 15 -3.551 4.901 20.750 1.00 0.00 C ATOM 451 O4' DA 1 15 -2.623 3.849 21.113 1.00 0.00 O ATOM 452 C3' DA 1 15 -4.162 5.367 22.069 1.00 0.00 C ATOM 453 O3' DA 1 15 -5.372 4.657 22.372 1.00 0.00 O ATOM 454 C2' DA 1 15 -3.071 5.080 23.083 1.00 0.00 C ATOM 455 C1' DA 1 15 -2.435 3.816 22.523 1.00 0.00 C ATOM 456 N9 DA 1 15 -1.000 3.676 22.785 1.00 0.00 N ATOM 457 C8 DA 1 15 0.003 4.593 22.579 1.00 0.00 C ATOM 458 N7 DA 1 15 1.191 4.165 22.932 1.00 0.00 N ATOM 459 C5 DA 1 15 0.957 2.879 23.400 1.00 0.00 C ATOM 460 C6 DA 1 15 1.811 1.891 23.924 1.00 0.00 C ATOM 461 N6 DA 1 15 3.128 2.051 24.078 1.00 0.00 N ATOM 462 N1 DA 1 15 1.257 0.716 24.292 1.00 0.00 N ATOM 463 C2 DA 1 15 -0.064 0.555 24.146 1.00 0.00 C ATOM 464 N3 DA 1 15 -0.968 1.407 23.672 1.00 0.00 N ATOM 465 C4 DA 1 15 -0.387 2.564 23.311 1.00 0.00 C ATOM 0 H5' DA 1 15 -2.416 5.548 19.051 1.00 0.00 H new ATOM 0 H5'' DA 1 15 -3.512 6.760 19.684 1.00 0.00 H new ATOM 0 H4' DA 1 15 -4.354 4.584 20.085 1.00 0.00 H new ATOM 0 H3' DA 1 15 -4.455 6.417 22.053 1.00 0.00 H new ATOM 0 H2' DA 1 15 -2.355 5.899 23.153 1.00 0.00 H new ATOM 0 H2'' DA 1 15 -3.476 4.923 24.083 1.00 0.00 H new ATOM 0 HO3' DA 1 15 -5.736 4.979 23.223 1.00 0.00 H new ATOM 0 H1' DA 1 15 -2.913 2.971 23.018 1.00 0.00 H new ATOM 0 H8 DA 1 15 -0.171 5.575 22.165 1.00 0.00 H new ATOM 0 H61 DA 1 15 3.692 1.294 24.465 1.00 0.00 H new ATOM 0 H62 DA 1 15 3.570 2.930 23.809 1.00 0.00 H new ATOM 0 H2 DA 1 15 -0.451 -0.404 24.458 1.00 0.00 H new TER 478 DA 1 15 ATOM 479 O5' DT 2 16 4.403 -6.502 27.267 1.00 0.00 O ATOM 480 C5' DT 2 16 3.479 -7.321 27.987 1.00 0.00 C ATOM 481 C4' DT 2 16 2.054 -7.040 27.562 1.00 0.00 C ATOM 482 O4' DT 2 16 1.816 -5.608 27.621 1.00 0.00 O ATOM 483 C3' DT 2 16 1.721 -7.446 26.123 1.00 0.00 C ATOM 484 O3' DT 2 16 0.340 -7.831 26.006 1.00 0.00 O ATOM 485 C2' DT 2 16 2.023 -6.179 25.346 1.00 0.00 C ATOM 486 C1' DT 2 16 1.592 -5.094 26.314 1.00 0.00 C ATOM 487 N1 DT 2 16 2.344 -3.835 26.154 1.00 0.00 N ATOM 488 C2 DT 2 16 1.661 -2.712 25.733 1.00 0.00 C ATOM 489 O2 DT 2 16 0.457 -2.697 25.528 1.00 0.00 O ATOM 490 N3 DT 2 16 2.443 -1.601 25.560 1.00 0.00 N ATOM 491 C4 DT 2 16 3.802 -1.494 25.772 1.00 0.00 C ATOM 492 O4 DT 2 16 4.377 -0.435 25.532 1.00 0.00 O ATOM 493 C5 DT 2 16 4.449 -2.702 26.235 1.00 0.00 C ATOM 494 C7 DT 2 16 5.922 -2.679 26.497 1.00 0.00 C ATOM 495 C6 DT 2 16 3.699 -3.801 26.400 1.00 0.00 C ATOM 0 H5' DT 2 16 3.585 -7.140 29.057 1.00 0.00 H new ATOM 0 H5'' DT 2 16 3.712 -8.372 27.817 1.00 0.00 H new ATOM 0 H4' DT 2 16 1.438 -7.628 28.242 1.00 0.00 H new ATOM 0 H3' DT 2 16 2.284 -8.308 25.765 1.00 0.00 H new ATOM 0 H2' DT 2 16 3.080 -6.100 25.092 1.00 0.00 H new ATOM 0 H2'' DT 2 16 1.466 -6.134 24.410 1.00 0.00 H new ATOM 0 HO5' DT 2 16 5.316 -6.702 27.562 1.00 0.00 H new ATOM 0 H1' DT 2 16 0.547 -4.849 26.125 1.00 0.00 H new ATOM 0 H3 DT 2 16 1.967 -0.758 25.238 1.00 0.00 H new ATOM 0 H71 DT 2 16 6.162 -3.391 27.287 1.00 0.00 H new ATOM 0 H72 DT 2 16 6.458 -2.951 25.588 1.00 0.00 H new ATOM 0 H73 DT 2 16 6.221 -1.678 26.808 1.00 0.00 H new ATOM 0 H6 DT 2 16 4.181 -4.705 26.743 1.00 0.00 H new ATOM 509 P DA 2 17 -0.282 -8.194 24.559 1.00 0.00 P ATOM 510 OP1 DA 2 17 -1.185 -9.362 24.735 1.00 0.00 O ATOM 511 OP2 DA 2 17 0.810 -8.264 23.552 1.00 0.00 O ATOM 512 O5' DA 2 17 -1.189 -6.932 24.203 1.00 0.00 O ATOM 513 C5' DA 2 17 -2.304 -6.582 25.026 1.00 0.00 C ATOM 514 C4' DA 2 17 -3.211 -5.612 24.302 1.00 0.00 C ATOM 515 O4' DA 2 17 -2.441 -4.461 23.872 1.00 0.00 O ATOM 516 C3' DA 2 17 -3.865 -6.158 23.032 1.00 0.00 C ATOM 517 O3' DA 2 17 -5.170 -5.566 22.868 1.00 0.00 O ATOM 518 C2' DA 2 17 -2.881 -5.754 21.946 1.00 0.00 C ATOM 519 C1' DA 2 17 -2.353 -4.423 22.454 1.00 0.00 C ATOM 520 N9 DA 2 17 -0.960 -4.151 22.092 1.00 0.00 N ATOM 521 C8 DA 2 17 0.098 -5.025 22.135 1.00 0.00 C ATOM 522 N7 DA 2 17 1.238 -4.496 21.760 1.00 0.00 N ATOM 523 C5 DA 2 17 0.905 -3.188 21.434 1.00 0.00 C ATOM 524 C6 DA 2 17 1.670 -2.110 20.957 1.00 0.00 C ATOM 525 N6 DA 2 17 2.981 -2.180 20.719 1.00 0.00 N ATOM 526 N1 DA 2 17 1.033 -0.941 20.729 1.00 0.00 N ATOM 527 C2 DA 2 17 -0.283 -0.871 20.968 1.00 0.00 C ATOM 528 N3 DA 2 17 -1.108 -1.813 21.417 1.00 0.00 N ATOM 529 C4 DA 2 17 -0.445 -2.962 21.633 1.00 0.00 C ATOM 0 H5' DA 2 17 -1.952 -6.135 25.956 1.00 0.00 H new ATOM 0 H5'' DA 2 17 -2.861 -7.479 25.295 1.00 0.00 H new ATOM 0 H4' DA 2 17 -3.995 -5.384 25.025 1.00 0.00 H new ATOM 0 H3' DA 2 17 -4.042 -7.234 23.030 1.00 0.00 H new ATOM 0 H2' DA 2 17 -2.084 -6.488 21.828 1.00 0.00 H new ATOM 0 H2'' DA 2 17 -3.367 -5.653 20.976 1.00 0.00 H new ATOM 0 H1' DA 2 17 -2.949 -3.634 21.996 1.00 0.00 H new ATOM 0 H8 DA 2 17 0.000 -6.054 22.449 1.00 0.00 H new ATOM 0 H61 DA 2 17 3.481 -1.361 20.373 1.00 0.00 H new ATOM 0 H62 DA 2 17 3.483 -3.052 20.883 1.00 0.00 H new ATOM 0 H2 DA 2 17 -0.740 0.087 20.768 1.00 0.00 H new ATOM 541 P DA 2 18 -5.925 -5.614 21.439 1.00 0.00 P ATOM 542 OP1 DA 2 18 -7.360 -5.896 21.694 1.00 0.00 O ATOM 543 OP2 DA 2 18 -5.166 -6.492 20.510 1.00 0.00 O ATOM 544 O5' DA 2 18 -5.820 -4.118 20.895 1.00 0.00 O ATOM 545 C5' DA 2 18 -6.246 -3.021 21.709 1.00 0.00 C ATOM 546 C4' DA 2 18 -6.433 -1.770 20.877 1.00 0.00 C ATOM 547 O4' DA 2 18 -5.136 -1.238 20.508 1.00 0.00 O ATOM 548 C3' DA 2 18 -7.182 -1.969 19.558 1.00 0.00 C ATOM 549 O3' DA 2 18 -7.946 -0.797 19.227 1.00 0.00 O ATOM 550 C2' DA 2 18 -6.061 -2.203 18.560 1.00 0.00 C ATOM 551 C1' DA 2 18 -4.937 -1.333 19.102 1.00 0.00 C ATOM 552 N9 DA 2 18 -3.592 -1.862 18.862 1.00 0.00 N ATOM 553 C8 DA 2 18 -3.144 -3.139 19.090 1.00 0.00 C ATOM 554 N7 DA 2 18 -1.890 -3.327 18.757 1.00 0.00 N ATOM 555 C5 DA 2 18 -1.483 -2.090 18.279 1.00 0.00 C ATOM 556 C6 DA 2 18 -0.256 -1.632 17.767 1.00 0.00 C ATOM 557 N6 DA 2 18 0.826 -2.403 17.638 1.00 0.00 N ATOM 558 N1 DA 2 18 -0.179 -0.340 17.380 1.00 0.00 N ATOM 559 C2 DA 2 18 -1.267 0.431 17.501 1.00 0.00 C ATOM 560 N3 DA 2 18 -2.476 0.115 17.964 1.00 0.00 N ATOM 561 C4 DA 2 18 -2.519 -1.175 18.343 1.00 0.00 C ATOM 0 H5' DA 2 18 -5.509 -2.836 22.491 1.00 0.00 H new ATOM 0 H5'' DA 2 18 -7.182 -3.275 22.207 1.00 0.00 H new ATOM 0 H4' DA 2 18 -7.025 -1.110 21.512 1.00 0.00 H new ATOM 0 H3' DA 2 18 -7.902 -2.787 19.584 1.00 0.00 H new ATOM 0 H2' DA 2 18 -5.773 -3.253 18.515 1.00 0.00 H new ATOM 0 H2'' DA 2 18 -6.350 -1.908 17.551 1.00 0.00 H new ATOM 0 H1' DA 2 18 -4.980 -0.375 18.584 1.00 0.00 H new ATOM 0 H8 DA 2 18 -3.767 -3.917 19.505 1.00 0.00 H new ATOM 0 H61 DA 2 18 1.689 -2.012 17.259 1.00 0.00 H new ATOM 0 H62 DA 2 18 0.790 -3.383 17.918 1.00 0.00 H new ATOM 0 H2 DA 2 18 -1.148 1.454 17.177 1.00 0.00 H new ATOM 573 P DT 2 19 -8.504 -0.585 17.726 1.00 0.00 P ATOM 574 OP1 DT 2 19 -9.776 0.178 17.807 1.00 0.00 O ATOM 575 OP2 DT 2 19 -8.483 -1.890 17.011 1.00 0.00 O ATOM 576 O5' DT 2 19 -7.414 0.363 17.055 1.00 0.00 O ATOM 577 C5' DT 2 19 -7.018 1.574 17.699 1.00 0.00 C ATOM 578 C4' DT 2 19 -6.280 2.482 16.739 1.00 0.00 C ATOM 579 O4' DT 2 19 -4.943 1.966 16.501 1.00 0.00 O ATOM 580 C3' DT 2 19 -6.920 2.600 15.354 1.00 0.00 C ATOM 581 O3' DT 2 19 -6.698 3.917 14.817 1.00 0.00 O ATOM 582 C2' DT 2 19 -6.201 1.522 14.560 1.00 0.00 C ATOM 583 C1' DT 2 19 -4.799 1.584 15.139 1.00 0.00 C ATOM 584 N1 DT 2 19 -4.017 0.321 15.077 1.00 0.00 N ATOM 585 C2 DT 2 19 -2.720 0.407 14.608 1.00 0.00 C ATOM 586 O2 DT 2 19 -2.189 1.460 14.285 1.00 0.00 O ATOM 587 N3 DT 2 19 -2.059 -0.791 14.531 1.00 0.00 N ATOM 588 C4 DT 2 19 -2.545 -2.036 14.868 1.00 0.00 C ATOM 589 O4 DT 2 19 -1.836 -3.028 14.723 1.00 0.00 O ATOM 590 C5 DT 2 19 -3.900 -2.057 15.362 1.00 0.00 C ATOM 591 C7 DT 2 19 -4.523 -3.380 15.684 1.00 0.00 C ATOM 592 C6 DT 2 19 -4.565 -0.894 15.454 1.00 0.00 C ATOM 0 H5' DT 2 19 -6.379 1.345 18.552 1.00 0.00 H new ATOM 0 H5'' DT 2 19 -7.897 2.088 18.088 1.00 0.00 H new ATOM 0 H4' DT 2 19 -6.296 3.459 17.222 1.00 0.00 H new ATOM 0 H3' DT 2 19 -8.002 2.467 15.344 1.00 0.00 H new ATOM 0 H2' DT 2 19 -6.656 0.541 14.698 1.00 0.00 H new ATOM 0 H2'' DT 2 19 -6.210 1.729 13.490 1.00 0.00 H new ATOM 0 H1' DT 2 19 -4.233 2.290 14.532 1.00 0.00 H new ATOM 0 H3 DT 2 19 -1.100 -0.758 14.186 1.00 0.00 H new ATOM 0 H71 DT 2 19 -4.099 -4.149 15.038 1.00 0.00 H new ATOM 0 H72 DT 2 19 -4.324 -3.632 16.726 1.00 0.00 H new ATOM 0 H73 DT 2 19 -5.600 -3.324 15.523 1.00 0.00 H new ATOM 0 H6 DT 2 19 -5.574 -0.907 15.840 1.00 0.00 H new ATOM 605 P DT 2 20 -6.951 4.216 13.250 1.00 0.00 P ATOM 606 OP1 DT 2 20 -7.560 5.567 13.155 1.00 0.00 O ATOM 607 OP2 DT 2 20 -7.637 3.062 12.612 1.00 0.00 O ATOM 608 O5' DT 2 20 -5.478 4.316 12.650 1.00 0.00 O ATOM 609 C5' DT 2 20 -4.494 5.133 13.286 1.00 0.00 C ATOM 610 C4' DT 2 20 -3.297 5.334 12.384 1.00 0.00 C ATOM 611 O4' DT 2 20 -2.530 4.104 12.343 1.00 0.00 O ATOM 612 C3' DT 2 20 -3.618 5.667 10.924 1.00 0.00 C ATOM 613 O3' DT 2 20 -2.623 6.573 10.405 1.00 0.00 O ATOM 614 C2' DT 2 20 -3.617 4.303 10.254 1.00 0.00 C ATOM 615 C1' DT 2 20 -2.569 3.534 11.042 1.00 0.00 C ATOM 616 N1 DT 2 20 -2.830 2.079 11.173 1.00 0.00 N ATOM 617 C2 DT 2 20 -1.795 1.216 10.875 1.00 0.00 C ATOM 618 O2 DT 2 20 -0.678 1.594 10.555 1.00 0.00 O ATOM 619 N3 DT 2 20 -2.115 -0.113 10.967 1.00 0.00 N ATOM 620 C4 DT 2 20 -3.331 -0.658 11.320 1.00 0.00 C ATOM 621 O4 DT 2 20 -3.476 -1.878 11.331 1.00 0.00 O ATOM 622 C5 DT 2 20 -4.367 0.298 11.635 1.00 0.00 C ATOM 623 C7 DT 2 20 -5.737 -0.208 11.963 1.00 0.00 C ATOM 624 C6 DT 2 20 -4.072 1.605 11.559 1.00 0.00 C ATOM 0 H5' DT 2 20 -4.177 4.668 14.220 1.00 0.00 H new ATOM 0 H5'' DT 2 20 -4.928 6.099 13.542 1.00 0.00 H new ATOM 0 H4' DT 2 20 -2.770 6.186 12.814 1.00 0.00 H new ATOM 0 H3' DT 2 20 -4.566 6.180 10.763 1.00 0.00 H new ATOM 0 H2' DT 2 20 -4.595 3.825 10.310 1.00 0.00 H new ATOM 0 H2'' DT 2 20 -3.357 4.373 9.198 1.00 0.00 H new ATOM 0 H1' DT 2 20 -1.629 3.616 10.497 1.00 0.00 H new ATOM 0 H3 DT 2 20 -1.369 -0.774 10.750 1.00 0.00 H new ATOM 0 H71 DT 2 20 -5.917 -1.143 11.431 1.00 0.00 H new ATOM 0 H72 DT 2 20 -5.814 -0.381 13.037 1.00 0.00 H new ATOM 0 H73 DT 2 20 -6.480 0.530 11.660 1.00 0.00 H new ATOM 0 H6 DT 2 20 -4.840 2.321 11.811 1.00 0.00 H new ATOM 637 P DA 2 21 -2.411 6.744 8.811 1.00 0.00 P ATOM 638 OP1 DA 2 21 -2.220 8.193 8.542 1.00 0.00 O ATOM 639 OP2 DA 2 21 -3.478 6.005 8.086 1.00 0.00 O ATOM 640 O5' DA 2 21 -1.027 6.004 8.531 1.00 0.00 O ATOM 641 C5' DA 2 21 0.199 6.591 8.971 1.00 0.00 C ATOM 642 C4' DA 2 21 1.384 5.745 8.560 1.00 0.00 C ATOM 643 O4' DA 2 21 1.083 4.349 8.805 1.00 0.00 O ATOM 644 C3' DA 2 21 1.768 5.825 7.083 1.00 0.00 C ATOM 645 O3' DA 2 21 3.193 5.698 6.950 1.00 0.00 O ATOM 646 C2' DA 2 21 1.023 4.656 6.458 1.00 0.00 C ATOM 647 C1' DA 2 21 0.986 3.632 7.580 1.00 0.00 C ATOM 648 N9 DA 2 21 -0.232 2.822 7.625 1.00 0.00 N ATOM 649 C8 DA 2 21 -1.522 3.246 7.835 1.00 0.00 C ATOM 650 N7 DA 2 21 -2.406 2.277 7.820 1.00 0.00 N ATOM 651 C5 DA 2 21 -1.648 1.139 7.584 1.00 0.00 C ATOM 652 C6 DA 2 21 -1.994 -0.217 7.455 1.00 0.00 C ATOM 653 N6 DA 2 21 -3.245 -0.676 7.552 1.00 0.00 N ATOM 654 N1 DA 2 21 -0.999 -1.099 7.221 1.00 0.00 N ATOM 655 C2 DA 2 21 0.255 -0.641 7.125 1.00 0.00 C ATOM 656 N3 DA 2 21 0.705 0.606 7.229 1.00 0.00 N ATOM 657 C4 DA 2 21 -0.308 1.459 7.461 1.00 0.00 C ATOM 0 H5' DA 2 21 0.185 6.701 10.055 1.00 0.00 H new ATOM 0 H5'' DA 2 21 0.299 7.592 8.550 1.00 0.00 H new ATOM 0 H4' DA 2 21 2.212 6.139 9.149 1.00 0.00 H new ATOM 0 H3' DA 2 21 1.508 6.768 6.603 1.00 0.00 H new ATOM 0 H2' DA 2 21 0.020 4.941 6.139 1.00 0.00 H new ATOM 0 H2'' DA 2 21 1.540 4.272 5.579 1.00 0.00 H new ATOM 0 H1' DA 2 21 1.809 2.938 7.409 1.00 0.00 H new ATOM 0 H8 DA 2 21 -1.784 4.281 7.997 1.00 0.00 H new ATOM 0 H61 DA 2 21 -3.432 -1.673 7.449 1.00 0.00 H new ATOM 0 H62 DA 2 21 -4.013 -0.029 7.729 1.00 0.00 H new ATOM 0 H2 DA 2 21 1.009 -1.391 6.936 1.00 0.00 H new ATOM 669 P DA 2 22 3.862 5.483 5.498 1.00 0.00 P ATOM 670 OP1 DA 2 22 5.117 6.277 5.472 1.00 0.00 O ATOM 671 OP2 DA 2 22 2.844 5.694 4.436 1.00 0.00 O ATOM 672 O5' DA 2 22 4.269 3.943 5.502 1.00 0.00 O ATOM 673 C5' DA 2 22 5.000 3.387 6.597 1.00 0.00 C ATOM 674 C4' DA 2 22 5.472 1.989 6.268 1.00 0.00 C ATOM 675 O4' DA 2 22 4.328 1.102 6.198 1.00 0.00 O ATOM 676 C3' DA 2 22 6.178 1.841 4.920 1.00 0.00 C ATOM 677 O3' DA 2 22 7.162 0.804 4.975 1.00 0.00 O ATOM 678 C2' DA 2 22 5.052 1.464 3.978 1.00 0.00 C ATOM 679 C1' DA 2 22 4.141 0.635 4.869 1.00 0.00 C ATOM 680 N9 DA 2 22 2.716 0.730 4.543 1.00 0.00 N ATOM 681 C8 DA 2 22 1.943 1.857 4.383 1.00 0.00 C ATOM 682 N7 DA 2 22 0.697 1.602 4.068 1.00 0.00 N ATOM 683 C5 DA 2 22 0.641 0.216 4.022 1.00 0.00 C ATOM 684 C6 DA 2 22 -0.405 -0.679 3.741 1.00 0.00 C ATOM 685 N6 DA 2 22 -1.645 -0.295 3.429 1.00 0.00 N ATOM 686 N1 DA 2 22 -0.129 -2.001 3.785 1.00 0.00 N ATOM 687 C2 DA 2 22 1.116 -2.386 4.089 1.00 0.00 C ATOM 688 N3 DA 2 22 2.182 -1.642 4.369 1.00 0.00 N ATOM 689 C4 DA 2 22 1.875 -0.334 4.319 1.00 0.00 C ATOM 0 H5' DA 2 22 4.371 3.364 7.487 1.00 0.00 H new ATOM 0 H5'' DA 2 22 5.856 4.020 6.828 1.00 0.00 H new ATOM 0 H4' DA 2 22 6.182 1.749 7.059 1.00 0.00 H new ATOM 0 H3' DA 2 22 6.709 2.742 4.613 1.00 0.00 H new ATOM 0 H2' DA 2 22 4.543 2.343 3.582 1.00 0.00 H new ATOM 0 H2'' DA 2 22 5.413 0.893 3.123 1.00 0.00 H new ATOM 0 H1' DA 2 22 4.411 -0.412 4.728 1.00 0.00 H new ATOM 0 H8 DA 2 22 2.328 2.859 4.506 1.00 0.00 H new ATOM 0 H61 DA 2 22 -2.362 -0.994 3.235 1.00 0.00 H new ATOM 0 H62 DA 2 22 -1.875 0.698 3.385 1.00 0.00 H new ATOM 0 H2 DA 2 22 1.278 -3.454 4.110 1.00 0.00 H new ATOM 701 P DC 2 23 8.390 0.813 3.935 1.00 0.00 P ATOM 702 OP1 DC 2 23 9.575 0.257 4.643 1.00 0.00 O ATOM 703 OP2 DC 2 23 8.476 2.162 3.316 1.00 0.00 O ATOM 704 O5' DC 2 23 7.938 -0.212 2.799 1.00 0.00 O ATOM 705 C5' DC 2 23 8.713 -1.375 2.507 1.00 0.00 C ATOM 706 C4' DC 2 23 7.824 -2.499 2.029 1.00 0.00 C ATOM 707 O4' DC 2 23 6.463 -2.296 2.468 1.00 0.00 O ATOM 708 C3' DC 2 23 7.716 -2.612 0.513 1.00 0.00 C ATOM 709 O3' DC 2 23 8.819 -3.371 -0.003 1.00 0.00 O ATOM 710 C2' DC 2 23 6.402 -3.351 0.332 1.00 0.00 C ATOM 711 C1' DC 2 23 5.567 -2.891 1.531 1.00 0.00 C ATOM 712 N1 DC 2 23 4.507 -1.914 1.204 1.00 0.00 N ATOM 713 C2 DC 2 23 3.234 -2.395 0.842 1.00 0.00 C ATOM 714 O2 DC 2 23 3.035 -3.621 0.812 1.00 0.00 O ATOM 715 N3 DC 2 23 2.257 -1.511 0.535 1.00 0.00 N ATOM 716 C4 DC 2 23 2.503 -0.201 0.576 1.00 0.00 C ATOM 717 N4 DC 2 23 1.508 0.632 0.263 1.00 0.00 N ATOM 718 C5 DC 2 23 3.781 0.319 0.940 1.00 0.00 C ATOM 719 C6 DC 2 23 4.745 -0.566 1.247 1.00 0.00 C ATOM 0 H5' DC 2 23 9.258 -1.689 3.397 1.00 0.00 H new ATOM 0 H5'' DC 2 23 9.456 -1.142 1.744 1.00 0.00 H new ATOM 0 H4' DC 2 23 8.292 -3.393 2.442 1.00 0.00 H new ATOM 0 H3' DC 2 23 7.742 -1.656 -0.011 1.00 0.00 H new ATOM 0 H2' DC 2 23 5.923 -3.094 -0.613 1.00 0.00 H new ATOM 0 H2'' DC 2 23 6.545 -4.432 0.333 1.00 0.00 H new ATOM 0 H1' DC 2 23 5.052 -3.768 1.923 1.00 0.00 H new ATOM 0 H41 DC 2 23 1.661 1.640 0.284 1.00 0.00 H new ATOM 0 H42 DC 2 23 0.594 0.260 0.003 1.00 0.00 H new ATOM 0 H5 DC 2 23 3.967 1.383 0.968 1.00 0.00 H new ATOM 0 H6 DC 2 23 5.723 -0.208 1.532 1.00 0.00 H new ATOM 731 P DT 2 24 9.139 -3.353 -1.582 1.00 0.00 P ATOM 732 OP1 DT 2 24 10.536 -3.821 -1.770 1.00 0.00 O ATOM 733 OP2 DT 2 24 8.734 -2.034 -2.128 1.00 0.00 O ATOM 734 O5' DT 2 24 8.166 -4.463 -2.179 1.00 0.00 O ATOM 735 C5' DT 2 24 8.290 -5.827 -1.780 1.00 0.00 C ATOM 736 C4' DT 2 24 7.146 -6.646 -2.333 1.00 0.00 C ATOM 737 O4' DT 2 24 5.893 -5.961 -2.078 1.00 0.00 O ATOM 738 C3' DT 2 24 7.190 -6.863 -3.845 1.00 0.00 C ATOM 739 O3' DT 2 24 6.624 -8.145 -4.175 1.00 0.00 O ATOM 740 C2' DT 2 24 6.358 -5.709 -4.380 1.00 0.00 C ATOM 741 C1' DT 2 24 5.301 -5.539 -3.301 1.00 0.00 C ATOM 742 N1 DT 2 24 4.814 -4.152 -3.133 1.00 0.00 N ATOM 743 C2 DT 2 24 3.464 -3.909 -3.293 1.00 0.00 C ATOM 744 O2 DT 2 24 2.647 -4.782 -3.544 1.00 0.00 O ATOM 745 N3 DT 2 24 3.101 -2.595 -3.147 1.00 0.00 N ATOM 746 C4 DT 2 24 3.925 -1.527 -2.858 1.00 0.00 C ATOM 747 O4 DT 2 24 3.455 -0.395 -2.777 1.00 0.00 O ATOM 748 C5 DT 2 24 5.321 -1.853 -2.692 1.00 0.00 C ATOM 749 C7 DT 2 24 6.286 -0.752 -2.386 1.00 0.00 C ATOM 750 C6 DT 2 24 5.697 -3.133 -2.834 1.00 0.00 C ATOM 0 H5' DT 2 24 8.301 -5.894 -0.692 1.00 0.00 H new ATOM 0 H5'' DT 2 24 9.239 -6.231 -2.134 1.00 0.00 H new ATOM 0 H4' DT 2 24 7.233 -7.613 -1.837 1.00 0.00 H new ATOM 0 H3' DT 2 24 8.194 -6.874 -4.268 1.00 0.00 H new ATOM 0 H2' DT 2 24 6.954 -4.806 -4.511 1.00 0.00 H new ATOM 0 H2'' DT 2 24 5.916 -5.942 -5.349 1.00 0.00 H new ATOM 0 H1' DT 2 24 4.431 -6.127 -3.594 1.00 0.00 H new ATOM 0 H3 DT 2 24 2.110 -2.383 -3.265 1.00 0.00 H new ATOM 0 H71 DT 2 24 5.931 0.177 -2.831 1.00 0.00 H new ATOM 0 H72 DT 2 24 6.367 -0.629 -1.306 1.00 0.00 H new ATOM 0 H73 DT 2 24 7.264 -1.001 -2.798 1.00 0.00 H new ATOM 0 H6 DT 2 24 6.741 -3.379 -2.708 1.00 0.00 H new ATOM 763 P DA 2 25 6.345 -8.542 -5.715 1.00 0.00 P ATOM 764 OP1 DA 2 25 6.716 -9.969 -5.898 1.00 0.00 O ATOM 765 OP2 DA 2 25 6.954 -7.512 -6.596 1.00 0.00 O ATOM 766 O5' DA 2 25 4.762 -8.429 -5.848 1.00 0.00 O ATOM 767 C5' DA 2 25 3.908 -9.194 -4.997 1.00 0.00 C ATOM 768 C4' DA 2 25 2.491 -9.196 -5.524 1.00 0.00 C ATOM 769 O4' DA 2 25 1.954 -7.856 -5.407 1.00 0.00 O ATOM 770 C3' DA 2 25 2.324 -9.579 -6.996 1.00 0.00 C ATOM 771 O3' DA 2 25 1.083 -10.280 -7.183 1.00 0.00 O ATOM 772 C2' DA 2 25 2.341 -8.239 -7.713 1.00 0.00 C ATOM 773 C1' DA 2 25 1.757 -7.276 -6.690 1.00 0.00 C ATOM 774 N9 DA 2 25 2.399 -5.961 -6.703 1.00 0.00 N ATOM 775 C8 DA 2 25 3.745 -5.697 -6.648 1.00 0.00 C ATOM 776 N7 DA 2 25 4.036 -4.421 -6.699 1.00 0.00 N ATOM 777 C5 DA 2 25 2.799 -3.800 -6.794 1.00 0.00 C ATOM 778 C6 DA 2 25 2.424 -2.449 -6.889 1.00 0.00 C ATOM 779 N6 DA 2 25 3.295 -1.438 -6.913 1.00 0.00 N ATOM 780 N1 DA 2 25 1.105 -2.168 -6.963 1.00 0.00 N ATOM 781 C2 DA 2 25 0.230 -3.181 -6.948 1.00 0.00 C ATOM 782 N3 DA 2 25 0.460 -4.490 -6.867 1.00 0.00 N ATOM 783 C4 DA 2 25 1.779 -4.737 -6.790 1.00 0.00 C ATOM 0 H5' DA 2 25 3.926 -8.780 -3.989 1.00 0.00 H new ATOM 0 H5'' DA 2 25 4.277 -10.217 -4.928 1.00 0.00 H new ATOM 0 H4' DA 2 25 1.980 -9.952 -4.928 1.00 0.00 H new ATOM 0 H3' DA 2 25 3.097 -10.250 -7.371 1.00 0.00 H new ATOM 0 H2' DA 2 25 3.352 -7.952 -8.002 1.00 0.00 H new ATOM 0 H2'' DA 2 25 1.744 -8.265 -8.625 1.00 0.00 H new ATOM 0 H1' DA 2 25 0.706 -7.120 -6.932 1.00 0.00 H new ATOM 0 H8 DA 2 25 4.495 -6.470 -6.570 1.00 0.00 H new ATOM 0 H61 DA 2 25 2.959 -0.477 -6.983 1.00 0.00 H new ATOM 0 H62 DA 2 25 4.296 -1.626 -6.861 1.00 0.00 H new ATOM 0 H2 DA 2 25 -0.810 -2.896 -7.010 1.00 0.00 H new ATOM 795 P DT 2 26 0.422 -10.391 -8.650 1.00 0.00 P ATOM 796 OP1 DT 2 26 -0.400 -11.627 -8.692 1.00 0.00 O ATOM 797 OP2 DT 2 26 1.478 -10.183 -9.675 1.00 0.00 O ATOM 798 O5' DT 2 26 -0.573 -9.147 -8.700 1.00 0.00 O ATOM 799 C5' DT 2 26 -1.476 -8.899 -7.621 1.00 0.00 C ATOM 800 C4' DT 2 26 -2.555 -7.923 -8.036 1.00 0.00 C ATOM 801 O4' DT 2 26 -1.996 -6.586 -8.110 1.00 0.00 O ATOM 802 C3' DT 2 26 -3.166 -8.185 -9.413 1.00 0.00 C ATOM 803 O3' DT 2 26 -4.560 -7.821 -9.399 1.00 0.00 O ATOM 804 C2' DT 2 26 -2.319 -7.317 -10.328 1.00 0.00 C ATOM 805 C1' DT 2 26 -2.010 -6.116 -9.452 1.00 0.00 C ATOM 806 N1 DT 2 26 -0.713 -5.454 -9.731 1.00 0.00 N ATOM 807 C2 DT 2 26 -0.711 -4.082 -9.887 1.00 0.00 C ATOM 808 O2 DT 2 26 -1.713 -3.389 -9.779 1.00 0.00 O ATOM 809 N3 DT 2 26 0.516 -3.543 -10.175 1.00 0.00 N ATOM 810 C4 DT 2 26 1.712 -4.215 -10.318 1.00 0.00 C ATOM 811 O4 DT 2 26 2.734 -3.593 -10.596 1.00 0.00 O ATOM 812 C5 DT 2 26 1.641 -5.645 -10.134 1.00 0.00 C ATOM 813 C7 DT 2 26 2.883 -6.459 -10.320 1.00 0.00 C ATOM 814 C6 DT 2 26 0.450 -6.193 -9.846 1.00 0.00 C ATOM 0 H5' DT 2 26 -0.928 -8.501 -6.767 1.00 0.00 H new ATOM 0 H5'' DT 2 26 -1.931 -9.836 -7.299 1.00 0.00 H new ATOM 0 H4' DT 2 26 -3.333 -8.040 -7.282 1.00 0.00 H new ATOM 0 H3' DT 2 26 -3.155 -9.226 -9.735 1.00 0.00 H new ATOM 0 H2' DT 2 26 -1.412 -7.830 -10.648 1.00 0.00 H new ATOM 0 H2'' DT 2 26 -2.859 -7.032 -11.231 1.00 0.00 H new ATOM 0 H1' DT 2 26 -2.771 -5.362 -9.652 1.00 0.00 H new ATOM 0 H3 DT 2 26 0.548 -2.531 -10.297 1.00 0.00 H new ATOM 0 H71 DT 2 26 3.528 -5.976 -11.053 1.00 0.00 H new ATOM 0 H72 DT 2 26 3.411 -6.540 -9.370 1.00 0.00 H new ATOM 0 H73 DT 2 26 2.616 -7.455 -10.673 1.00 0.00 H new ATOM 0 H6 DT 2 26 0.398 -7.261 -9.697 1.00 0.00 H new ATOM 827 P DA 2 27 -5.382 -7.667 -10.780 1.00 0.00 P ATOM 828 OP1 DA 2 27 -6.728 -8.263 -10.582 1.00 0.00 O ATOM 829 OP2 DA 2 27 -4.538 -8.136 -11.910 1.00 0.00 O ATOM 830 O5' DA 2 27 -5.574 -6.092 -10.936 1.00 0.00 O ATOM 831 C5' DA 2 27 -6.123 -5.320 -9.864 1.00 0.00 C ATOM 832 C4' DA 2 27 -6.581 -3.966 -10.359 1.00 0.00 C ATOM 833 O4' DA 2 27 -5.426 -3.128 -10.622 1.00 0.00 O ATOM 834 C3' DA 2 27 -7.371 -3.992 -11.669 1.00 0.00 C ATOM 835 O3' DA 2 27 -8.355 -2.944 -11.681 1.00 0.00 O ATOM 836 C2' DA 2 27 -6.294 -3.782 -12.719 1.00 0.00 C ATOM 837 C1' DA 2 27 -5.311 -2.862 -12.015 1.00 0.00 C ATOM 838 N9 DA 2 27 -3.918 -3.075 -12.411 1.00 0.00 N ATOM 839 C8 DA 2 27 -3.290 -4.285 -12.563 1.00 0.00 C ATOM 840 N7 DA 2 27 -2.041 -4.190 -12.944 1.00 0.00 N ATOM 841 C5 DA 2 27 -1.831 -2.824 -13.056 1.00 0.00 C ATOM 842 C6 DA 2 27 -0.707 -2.070 -13.433 1.00 0.00 C ATOM 843 N6 DA 2 27 0.461 -2.611 -13.784 1.00 0.00 N ATOM 844 N1 DA 2 27 -0.825 -0.725 -13.440 1.00 0.00 N ATOM 845 C2 DA 2 27 -2.000 -0.183 -13.094 1.00 0.00 C ATOM 846 N3 DA 2 27 -3.130 -0.786 -12.724 1.00 0.00 N ATOM 847 C4 DA 2 27 -2.977 -2.123 -12.725 1.00 0.00 C ATOM 0 H5' DA 2 27 -5.375 -5.193 -9.081 1.00 0.00 H new ATOM 0 H5'' DA 2 27 -6.963 -5.853 -9.419 1.00 0.00 H new ATOM 0 H4' DA 2 27 -7.230 -3.593 -9.567 1.00 0.00 H new ATOM 0 H3' DA 2 27 -7.933 -4.911 -11.832 1.00 0.00 H new ATOM 0 H2' DA 2 27 -5.828 -4.722 -13.014 1.00 0.00 H new ATOM 0 H2'' DA 2 27 -6.696 -3.328 -13.625 1.00 0.00 H new ATOM 0 H1' DA 2 27 -5.556 -1.834 -12.284 1.00 0.00 H new ATOM 0 H8 DA 2 27 -3.781 -5.230 -12.385 1.00 0.00 H new ATOM 0 H61 DA 2 27 1.242 -2.011 -14.048 1.00 0.00 H new ATOM 0 H62 DA 2 27 0.573 -3.625 -13.788 1.00 0.00 H new ATOM 0 H2 DA 2 27 -2.037 0.896 -13.118 1.00 0.00 H new ATOM 859 P DT 2 28 -8.972 -2.429 -13.079 1.00 0.00 P ATOM 860 OP1 DT 2 28 -10.286 -1.795 -12.804 1.00 0.00 O ATOM 861 OP2 DT 2 28 -8.888 -3.535 -14.069 1.00 0.00 O ATOM 862 O5' DT 2 28 -7.958 -1.284 -13.524 1.00 0.00 O ATOM 863 C5' DT 2 28 -7.624 -0.231 -12.620 1.00 0.00 C ATOM 864 C4' DT 2 28 -6.961 0.916 -13.351 1.00 0.00 C ATOM 865 O4' DT 2 28 -5.602 0.552 -13.705 1.00 0.00 O ATOM 866 C3' DT 2 28 -7.636 1.300 -14.671 1.00 0.00 C ATOM 867 O3' DT 2 28 -7.518 2.719 -14.883 1.00 0.00 O ATOM 868 C2' DT 2 28 -6.867 0.476 -15.689 1.00 0.00 C ATOM 869 C1' DT 2 28 -5.461 0.492 -15.119 1.00 0.00 C ATOM 870 N1 DT 2 28 -4.622 -0.682 -15.468 1.00 0.00 N ATOM 871 C2 DT 2 28 -3.379 -0.433 -16.018 1.00 0.00 C ATOM 872 O2 DT 2 28 -2.929 0.691 -16.185 1.00 0.00 O ATOM 873 N3 DT 2 28 -2.674 -1.555 -16.367 1.00 0.00 N ATOM 874 C4 DT 2 28 -3.066 -2.868 -16.220 1.00 0.00 C ATOM 875 O4 DT 2 28 -2.320 -3.771 -16.589 1.00 0.00 O ATOM 876 C5 DT 2 28 -4.369 -3.061 -15.627 1.00 0.00 C ATOM 877 C7 DT 2 28 -4.907 -4.452 -15.512 1.00 0.00 C ATOM 878 C6 DT 2 28 -5.074 -1.975 -15.271 1.00 0.00 C ATOM 0 H5' DT 2 28 -6.956 -0.609 -11.846 1.00 0.00 H new ATOM 0 H5'' DT 2 28 -8.525 0.124 -12.119 1.00 0.00 H new ATOM 0 H4' DT 2 28 -7.025 1.757 -12.660 1.00 0.00 H new ATOM 0 H3' DT 2 28 -8.706 1.100 -14.717 1.00 0.00 H new ATOM 0 H2' DT 2 28 -7.260 -0.537 -15.773 1.00 0.00 H new ATOM 0 H2'' DT 2 28 -6.908 0.918 -16.685 1.00 0.00 H new ATOM 0 H1' DT 2 28 -4.942 1.348 -15.551 1.00 0.00 H new ATOM 0 H3 DT 2 28 -1.755 -1.401 -16.783 1.00 0.00 H new ATOM 0 H71 DT 2 28 -4.516 -5.062 -16.326 1.00 0.00 H new ATOM 0 H72 DT 2 28 -4.603 -4.882 -14.558 1.00 0.00 H new ATOM 0 H73 DT 2 28 -5.995 -4.427 -15.568 1.00 0.00 H new ATOM 0 H6 DT 2 28 -6.040 -2.117 -14.809 1.00 0.00 H new ATOM 891 P DT 2 29 -7.753 3.354 -16.351 1.00 0.00 P ATOM 892 OP1 DT 2 29 -8.487 4.630 -16.154 1.00 0.00 O ATOM 893 OP2 DT 2 29 -8.307 2.330 -17.274 1.00 0.00 O ATOM 894 O5' DT 2 29 -6.281 3.721 -16.834 1.00 0.00 O ATOM 895 C5' DT 2 29 -5.436 4.523 -16.009 1.00 0.00 C ATOM 896 C4' DT 2 29 -4.198 4.954 -16.763 1.00 0.00 C ATOM 897 O4' DT 2 29 -3.414 3.787 -17.124 1.00 0.00 O ATOM 898 C3' DT 2 29 -4.463 5.683 -18.082 1.00 0.00 C ATOM 899 O3' DT 2 29 -3.420 6.653 -18.301 1.00 0.00 O ATOM 900 C2' DT 2 29 -4.454 4.551 -19.097 1.00 0.00 C ATOM 901 C1' DT 2 29 -3.380 3.635 -18.537 1.00 0.00 C ATOM 902 N1 DT 2 29 -3.535 2.196 -18.859 1.00 0.00 N ATOM 903 C2 DT 2 29 -2.446 1.550 -19.408 1.00 0.00 C ATOM 904 O2 DT 2 29 -1.374 2.099 -19.613 1.00 0.00 O ATOM 905 N3 DT 2 29 -2.656 0.230 -19.711 1.00 0.00 N ATOM 906 C4 DT 2 29 -3.813 -0.496 -19.524 1.00 0.00 C ATOM 907 O4 DT 2 29 -3.854 -1.677 -19.862 1.00 0.00 O ATOM 908 C5 DT 2 29 -4.913 0.236 -18.937 1.00 0.00 C ATOM 909 C7 DT 2 29 -6.221 -0.464 -18.740 1.00 0.00 C ATOM 910 C6 DT 2 29 -4.725 1.529 -18.630 1.00 0.00 C ATOM 0 H5' DT 2 29 -5.148 3.961 -15.121 1.00 0.00 H new ATOM 0 H5'' DT 2 29 -5.983 5.402 -15.667 1.00 0.00 H new ATOM 0 H4' DT 2 29 -3.694 5.638 -16.080 1.00 0.00 H new ATOM 0 H3' DT 2 29 -5.394 6.248 -18.126 1.00 0.00 H new ATOM 0 H2' DT 2 29 -5.422 4.053 -19.162 1.00 0.00 H new ATOM 0 H2'' DT 2 29 -4.209 4.903 -20.099 1.00 0.00 H new ATOM 0 H1' DT 2 29 -2.437 3.929 -18.998 1.00 0.00 H new ATOM 0 H3 DT 2 29 -1.868 -0.271 -20.121 1.00 0.00 H new ATOM 0 H71 DT 2 29 -6.344 -1.228 -19.508 1.00 0.00 H new ATOM 0 H72 DT 2 29 -6.238 -0.933 -17.756 1.00 0.00 H new ATOM 0 H73 DT 2 29 -7.035 0.258 -18.812 1.00 0.00 H new ATOM 0 H6 DT 2 29 -5.542 2.075 -18.183 1.00 0.00 H new ATOM 923 P DA 2 30 -3.128 7.235 -19.780 1.00 0.00 P ATOM 924 OP1 DA 2 30 -2.800 8.673 -19.610 1.00 0.00 O ATOM 925 OP2 DA 2 30 -4.206 6.841 -20.727 1.00 0.00 O ATOM 926 O5' DA 2 30 -1.786 6.494 -20.211 1.00 0.00 O ATOM 927 C5' DA 2 30 -0.674 6.422 -19.315 1.00 0.00 C ATOM 928 C4' DA 2 30 0.566 5.945 -20.038 1.00 0.00 C ATOM 929 O4' DA 2 30 0.335 4.616 -20.566 1.00 0.00 O ATOM 930 C3' DA 2 30 0.975 6.788 -21.243 1.00 0.00 C ATOM 931 O3' DA 2 30 2.400 6.807 -21.416 1.00 0.00 O ATOM 932 C2' DA 2 30 0.276 6.105 -22.404 1.00 0.00 C ATOM 933 C1' DA 2 30 0.324 4.640 -21.989 1.00 0.00 C ATOM 934 N9 DA 2 30 -0.806 3.829 -22.448 1.00 0.00 N ATOM 935 C8 DA 2 30 -2.151 4.089 -22.335 1.00 0.00 C ATOM 936 N7 DA 2 30 -2.914 3.164 -22.867 1.00 0.00 N ATOM 937 C5 DA 2 30 -2.013 2.231 -23.360 1.00 0.00 C ATOM 938 C6 DA 2 30 -2.189 1.012 -24.041 1.00 0.00 C ATOM 939 N6 DA 2 30 -3.381 0.505 -24.364 1.00 0.00 N ATOM 940 N1 DA 2 30 -1.081 0.322 -24.387 1.00 0.00 N ATOM 941 C2 DA 2 30 0.117 0.831 -24.071 1.00 0.00 C ATOM 942 N3 DA 2 30 0.410 1.963 -23.439 1.00 0.00 N ATOM 943 C4 DA 2 30 -0.712 2.624 -23.105 1.00 0.00 C ATOM 0 H5' DA 2 30 -0.906 5.744 -18.494 1.00 0.00 H new ATOM 0 H5'' DA 2 30 -0.490 7.403 -18.876 1.00 0.00 H new ATOM 0 H4' DA 2 30 1.355 6.000 -19.288 1.00 0.00 H new ATOM 0 H3' DA 2 30 0.695 7.837 -21.141 1.00 0.00 H new ATOM 0 H2' DA 2 30 -0.747 6.460 -22.529 1.00 0.00 H new ATOM 0 H2'' DA 2 30 0.791 6.278 -23.349 1.00 0.00 H new ATOM 0 HO3' DA 2 30 2.627 7.354 -22.197 1.00 0.00 H new ATOM 0 H1' DA 2 30 1.210 4.204 -22.450 1.00 0.00 H new ATOM 0 H8 DA 2 30 -2.543 4.972 -21.853 1.00 0.00 H new ATOM 0 H61 DA 2 30 -3.440 -0.385 -24.859 1.00 0.00 H new ATOM 0 H62 DA 2 30 -4.233 1.008 -24.116 1.00 0.00 H new ATOM 0 H2 DA 2 30 0.967 0.236 -24.373 1.00 0.00 H new TER 956 DA 2 30 HETATM 957 AG AG 1 101 0.179 -2.004 -0.018 1.00 0.00 AG