USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 188 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 Set 1.1: A 4 DT C7 :methyl -30:sc= -0.983 (180deg=0) USER MOD Set 1.2: B 16 DT C7 :methyl -30:sc= -1.05 (180deg=0) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 24:sc= 1.06 USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl 150:sc= -0.278 (180deg=-0.278) USER MOD Single : A 8 DT O3' : rot 180:sc= 0 USER MOD Single : B 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 9 DT O5' : rot 180:sc= 0 USER MOD Single : B 12 DT C7 :methyl 150:sc= -0.278 (180deg=-0.278) USER MOD Single : B 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 16 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 -10.643 5.228 1.481 1.00 0.00 O ATOM 2 C5' DT A 1 -12.010 5.604 1.604 1.00 0.00 C ATOM 3 C4' DT A 1 -12.589 5.214 2.968 1.00 0.00 C ATOM 4 O4' DT A 1 -13.596 6.152 3.265 1.00 0.00 O ATOM 5 C3' DT A 1 -13.281 3.846 3.000 1.00 0.00 C ATOM 6 O3' DT A 1 -12.536 2.850 3.655 1.00 0.00 O ATOM 7 C2' DT A 1 -14.557 4.085 3.798 1.00 0.00 C ATOM 8 C1' DT A 1 -14.493 5.563 4.175 1.00 0.00 C ATOM 9 N1 DT A 1 -15.807 6.222 4.021 1.00 0.00 N ATOM 10 C2 DT A 1 -16.417 6.758 5.156 1.00 0.00 C ATOM 11 O2 DT A 1 -15.931 6.684 6.279 1.00 0.00 O ATOM 12 N3 DT A 1 -17.610 7.398 4.940 1.00 0.00 N ATOM 13 C4 DT A 1 -18.240 7.550 3.728 1.00 0.00 C ATOM 14 O4 DT A 1 -19.297 8.166 3.689 1.00 0.00 O ATOM 15 C5 DT A 1 -17.548 6.932 2.611 1.00 0.00 C ATOM 16 C7 DT 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new ATOM 0 H2'' DC A 2 -6.375 -1.566 3.605 1.00 0.00 H new ATOM 0 H1' DC A 2 -5.809 0.707 3.097 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.557 1.075 8.014 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.766 1.618 6.531 1.00 0.00 H new ATOM 0 H5 DC A 2 -3.854 0.298 8.054 1.00 0.00 H new ATOM 0 H6 DC A 2 -5.881 0.014 6.704 1.00 0.00 H new ATOM 61 P DG A 3 -8.554 -2.605 2.104 1.00 0.00 P ATOM 62 OP1 DG A 3 -9.571 -2.746 1.027 1.00 0.00 O ATOM 63 OP2 DG A 3 -8.647 -3.440 3.313 1.00 0.00 O ATOM 64 O5' DG A 3 -7.097 -2.767 1.467 1.00 0.00 O ATOM 65 C5' DG A 3 -6.754 -2.211 0.206 1.00 0.00 C ATOM 66 C4' DG A 3 -5.329 -2.607 -0.177 1.00 0.00 C ATOM 67 O4' DG A 3 -4.476 -1.754 0.542 1.00 0.00 O ATOM 68 C3' DG A 3 -4.948 -4.062 0.135 1.00 0.00 C ATOM 69 O3' DG A 3 -4.901 -4.963 -0.963 1.00 0.00 O ATOM 70 C2' DG A 3 -3.510 -3.900 0.599 1.00 0.00 C ATOM 71 C1' DG A 3 -3.243 -2.399 0.690 1.00 0.00 C ATOM 72 N9 DG A 3 -2.776 -2.059 2.033 1.00 0.00 N ATOM 73 C8 DG A 3 -3.509 -2.151 3.172 1.00 0.00 C ATOM 74 N7 DG A 3 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-0.612 2.070 1.00 0.00 H new ATOM 94 P DT A 4 -6.177 -5.454 -1.823 1.00 0.00 P ATOM 95 OP1 DT A 4 -7.461 -4.912 -1.308 1.00 0.00 O ATOM 96 OP2 DT A 4 -6.123 -6.913 -2.036 1.00 0.00 O ATOM 97 O5' DT A 4 -5.874 -4.768 -3.240 1.00 0.00 O ATOM 98 C5' DT A 4 -4.931 -5.345 -4.128 1.00 0.00 C ATOM 99 C4' DT A 4 -4.538 -4.398 -5.271 1.00 0.00 C ATOM 100 O4' DT A 4 -3.438 -3.597 -4.838 1.00 0.00 O ATOM 101 C3' DT A 4 -4.012 -5.207 -6.465 1.00 0.00 C ATOM 102 O3' DT A 4 -4.133 -4.476 -7.671 1.00 0.00 O ATOM 103 C2' DT A 4 -2.540 -5.308 -6.124 1.00 0.00 C ATOM 104 C1' DT A 4 -2.321 -3.877 -5.671 1.00 0.00 C ATOM 105 N1 DT A 4 -1.004 -3.798 -4.991 1.00 0.00 N ATOM 106 C2 DT A 4 0.129 -3.625 -5.779 1.00 0.00 C ATOM 107 O2 DT A 4 0.109 -3.442 -6.986 1.00 0.00 O ATOM 108 N3 DT A 4 1.323 -3.708 -5.134 1.00 0.00 N ATOM 109 C4 DT A 4 1.509 -3.984 -3.802 1.00 0.00 C ATOM 110 O4 DT A 4 2.645 -3.981 -3.322 1.00 0.00 O ATOM 111 C5 DT A 4 0.278 -4.212 -3.057 1.00 0.00 C ATOM 112 C7 DT A 4 0.360 -4.433 -1.551 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-0.616 -2.984 1.00 0.00 C ATOM 169 N9 DG A 6 -4.859 -0.522 -3.919 1.00 0.00 N ATOM 170 C8 DG A 6 -4.956 -0.678 -5.264 1.00 0.00 C ATOM 171 N7 DG A 6 -3.821 -0.601 -5.904 1.00 0.00 N ATOM 172 C5 DG A 6 -2.882 -0.510 -4.862 1.00 0.00 C ATOM 173 C6 DG A 6 -1.444 -0.513 -4.870 1.00 0.00 C ATOM 174 O6 DG A 6 -0.652 -0.524 -5.809 1.00 0.00 O ATOM 175 N1 DG A 6 -0.893 -0.567 -3.605 1.00 0.00 N ATOM 176 C2 DG A 6 -1.608 -0.617 -2.452 1.00 0.00 C ATOM 177 N2 DG A 6 -0.897 -0.689 -1.349 1.00 0.00 N ATOM 178 N3 DG A 6 -2.940 -0.592 -2.394 1.00 0.00 N ATOM 179 C4 DG A 6 -3.518 -0.540 -3.636 1.00 0.00 C ATOM 0 H5' DG A 6 -7.530 -2.042 -5.748 1.00 0.00 H new ATOM 0 H5'' DG A 6 -7.479 -3.622 -4.992 1.00 0.00 H new ATOM 0 H4' DG A 6 -8.230 -2.702 -2.947 1.00 0.00 H new ATOM 0 H3' DG A 6 -9.111 -0.273 -4.113 1.00 0.00 H new ATOM 0 H2' DG A 6 -7.031 0.758 -4.292 1.00 0.00 H new ATOM 0 H2'' DG A 6 -7.317 1.045 -2.587 1.00 0.00 H new ATOM 0 H1' DG A 6 -5.678 -0.311 -1.982 1.00 0.00 H new ATOM 0 H8 DG A 6 -5.897 -0.852 -5.765 1.00 0.00 H new ATOM 0 H1 DG A 6 0.124 -0.570 -3.532 1.00 0.00 H new ATOM 0 H21 DG A 6 -1.364 -0.730 -0.443 1.00 0.00 H new ATOM 0 H22 DG A 6 0.122 -0.704 -1.399 1.00 0.00 H new ATOM 191 P DC A 7 -9.765 0.435 -1.342 1.00 0.00 P ATOM 192 OP1 DC A 7 -10.946 -0.053 -0.583 1.00 0.00 O ATOM 193 OP2 DC A 7 -9.914 1.609 -2.223 1.00 0.00 O ATOM 194 O5' DC A 7 -8.584 0.692 -0.279 1.00 0.00 O ATOM 195 C5' DC A 7 -8.030 1.982 -0.082 1.00 0.00 C ATOM 196 C4' DC A 7 -6.618 1.952 0.512 1.00 0.00 C ATOM 197 O4' DC A 7 -5.651 1.275 -0.260 1.00 0.00 O ATOM 198 C3' DC A 7 -6.147 3.394 0.680 1.00 0.00 C ATOM 199 O3' DC A 7 -6.597 3.937 1.906 1.00 0.00 O ATOM 200 C2' DC A 7 -4.641 3.268 0.590 1.00 0.00 C ATOM 201 C1' DC A 7 -4.409 1.956 -0.151 1.00 0.00 C ATOM 202 N1 DC A 7 -3.949 2.295 -1.515 1.00 0.00 N ATOM 203 C2 DC A 7 -2.592 2.424 -1.788 1.00 0.00 C ATOM 204 O2 DC A 7 -1.755 2.301 -0.895 1.00 0.00 O ATOM 205 N3 DC A 7 -2.174 2.673 -3.057 1.00 0.00 N ATOM 206 C4 DC A 7 -3.090 2.848 -3.998 1.00 0.00 C ATOM 207 N4 DC A 7 -2.636 3.032 -5.212 1.00 0.00 N ATOM 208 C5 DC A 7 -4.498 2.827 -3.748 1.00 0.00 C ATOM 209 C6 DC A 7 -4.874 2.567 -2.474 1.00 0.00 C ATOM 0 H5' DC A 7 -8.682 2.553 0.579 1.00 0.00 H new ATOM 0 H5'' DC A 7 -8.004 2.508 -1.036 1.00 0.00 H new ATOM 0 H4' DC A 7 -6.700 1.402 1.449 1.00 0.00 H new ATOM 0 H3' DC A 7 -6.541 4.084 -0.067 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.204 4.110 0.052 1.00 0.00 H new ATOM 0 H2'' DC A 7 -4.185 3.250 1.580 1.00 0.00 H new ATOM 0 H1' DC A 7 -3.681 1.335 0.371 1.00 0.00 H new ATOM 0 H41 DC A 7 -3.287 3.173 -5.984 1.00 0.00 H new ATOM 0 H42 DC A 7 -1.631 3.034 -5.386 1.00 0.00 H new ATOM 0 H5 DC A 7 -5.220 3.008 -4.531 1.00 0.00 H new ATOM 0 H6 DC A 7 -5.923 2.576 -2.216 1.00 0.00 H new ATOM 221 P DT A 8 -6.270 5.447 2.367 1.00 0.00 P ATOM 222 OP1 DT A 8 -7.544 6.056 2.814 1.00 0.00 O ATOM 223 OP2 DT A 8 -5.515 6.124 1.296 1.00 0.00 O ATOM 224 O5' DT A 8 -5.313 5.232 3.643 1.00 0.00 O ATOM 225 C5' DT A 8 -5.753 4.422 4.721 1.00 0.00 C ATOM 226 C4' DT A 8 -4.914 4.554 5.994 1.00 0.00 C ATOM 227 O4' DT A 8 -3.655 3.927 5.880 1.00 0.00 O ATOM 228 C3' DT A 8 -4.644 6.000 6.405 1.00 0.00 C ATOM 229 O3' DT A 8 -5.692 6.577 7.160 1.00 0.00 O ATOM 230 C2' DT A 8 -3.406 5.825 7.269 1.00 0.00 C ATOM 231 C1' DT A 8 -2.679 4.639 6.625 1.00 0.00 C ATOM 232 N1 DT A 8 -1.583 5.104 5.741 1.00 0.00 N ATOM 233 C2 DT A 8 -0.390 5.497 6.360 1.00 0.00 C ATOM 234 O2 DT A 8 -0.204 5.440 7.574 1.00 0.00 O ATOM 235 N3 DT A 8 0.586 5.994 5.527 1.00 0.00 N ATOM 236 C4 DT A 8 0.498 6.106 4.156 1.00 0.00 C ATOM 237 O4 DT A 8 1.452 6.568 3.542 1.00 0.00 O ATOM 238 C5 DT A 8 -0.763 5.646 3.591 1.00 0.00 C ATOM 239 C7 DT A 8 -1.020 5.679 2.104 1.00 0.00 C ATOM 240 C6 DT A 8 -1.754 5.178 4.379 1.00 0.00 C ATOM 0 H5' DT A 8 -5.746 3.380 4.403 1.00 0.00 H new ATOM 0 H5'' DT A 8 -6.787 4.678 4.953 1.00 0.00 H new ATOM 0 H4' DT A 8 -5.527 4.064 6.751 1.00 0.00 H new ATOM 0 H3' DT A 8 -4.538 6.670 5.552 1.00 0.00 H new ATOM 0 H2' DT A 8 -2.787 6.722 7.269 1.00 0.00 H new ATOM 0 H2'' DT A 8 -3.668 5.619 8.307 1.00 0.00 H new ATOM 0 HO3' DT A 8 -5.458 7.500 7.393 1.00 0.00 H new ATOM 0 H1' DT A 8 -2.221 4.005 7.384 1.00 0.00 H new ATOM 0 H3 DT A 8 1.453 6.308 5.963 1.00 0.00 H new ATOM 0 H71 DT A 8 -1.700 4.871 1.834 1.00 0.00 H new ATOM 0 H72 DT A 8 -1.467 6.635 1.833 1.00 0.00 H new ATOM 0 H73 DT A 8 -0.078 5.554 1.569 1.00 0.00 H new ATOM 0 H6 DT A 8 -2.687 4.860 3.937 1.00 0.00 H new TER 254 DT A 8 ATOM 255 O5' DT B 9 13.015 5.451 4.493 1.00 0.00 O ATOM 256 C5' DT B 9 12.822 4.048 4.471 1.00 0.00 C ATOM 257 C4' DT B 9 13.736 3.389 3.446 1.00 0.00 C ATOM 258 O4' DT B 9 15.061 3.456 3.898 1.00 0.00 O ATOM 259 C3' DT B 9 13.442 1.903 3.329 1.00 0.00 C ATOM 260 O3' DT B 9 12.447 1.705 2.358 1.00 0.00 O ATOM 261 C2' DT B 9 14.777 1.320 2.896 1.00 0.00 C ATOM 262 C1' DT B 9 15.760 2.418 3.269 1.00 0.00 C ATOM 263 N1 DT B 9 16.780 1.956 4.234 1.00 0.00 N ATOM 264 C2 DT B 9 18.095 2.209 3.890 1.00 0.00 C ATOM 265 O2 DT B 9 18.423 2.778 2.865 1.00 0.00 O ATOM 266 N3 DT B 9 19.026 1.781 4.783 1.00 0.00 N ATOM 267 C4 DT B 9 18.774 1.167 5.992 1.00 0.00 C ATOM 268 O4 DT B 9 19.747 0.839 6.674 1.00 0.00 O ATOM 269 C5 DT B 9 17.366 0.957 6.302 1.00 0.00 C ATOM 270 C7 DT B 9 16.894 0.271 7.582 1.00 0.00 C ATOM 271 C6 DT B 9 16.408 1.372 5.414 1.00 0.00 C ATOM 0 H5' DT B 9 11.782 3.824 4.234 1.00 0.00 H new ATOM 0 H5'' DT B 9 13.020 3.634 5.460 1.00 0.00 H new ATOM 0 H4' DT B 9 13.579 3.903 2.498 1.00 0.00 H new ATOM 0 H3' DT B 9 13.072 1.441 4.245 1.00 0.00 H new ATOM 0 H2' DT B 9 14.998 0.386 3.413 1.00 0.00 H new ATOM 0 H2'' DT B 9 14.797 1.105 1.828 1.00 0.00 H new ATOM 0 HO5' DT B 9 12.417 5.853 5.157 1.00 0.00 H new ATOM 0 H1' DT B 9 16.250 2.734 2.348 1.00 0.00 H new ATOM 0 H3 DT B 9 20.005 1.928 4.535 1.00 0.00 H new ATOM 0 H71 DT B 9 15.920 0.668 7.870 1.00 0.00 H new ATOM 0 H72 DT B 9 16.812 -0.802 7.411 1.00 0.00 H new ATOM 0 H73 DT B 9 17.612 0.457 8.381 1.00 0.00 H new ATOM 0 H6 DT B 9 15.362 1.238 5.645 1.00 0.00 H new ATOM 285 P DC B 10 11.741 0.285 2.168 1.00 0.00 P ATOM 286 OP1 DC B 10 12.741 -0.783 2.002 1.00 0.00 O ATOM 287 OP2 DC B 10 10.755 0.482 1.086 1.00 0.00 O ATOM 288 O5' DC B 10 10.967 0.028 3.559 1.00 0.00 O ATOM 289 C5' DC B 10 10.100 0.985 4.146 1.00 0.00 C ATOM 290 C4' DC B 10 8.777 1.113 3.391 1.00 0.00 C ATOM 291 O4' DC B 10 7.721 0.461 4.078 1.00 0.00 O ATOM 292 C3' DC B 10 8.353 2.566 3.211 1.00 0.00 C ATOM 293 O3' DC B 10 8.640 2.988 1.889 1.00 0.00 O ATOM 294 C2' DC B 10 6.863 2.500 3.483 1.00 0.00 C ATOM 295 C1' DC B 10 6.523 1.023 3.586 1.00 0.00 C ATOM 296 N1 DC B 10 5.362 0.785 4.456 1.00 0.00 N ATOM 297 C2 DC B 10 4.193 0.219 3.929 1.00 0.00 C ATOM 298 O2 DC B 10 4.070 -0.022 2.727 1.00 0.00 O ATOM 299 N3 DC B 10 3.151 -0.064 4.751 1.00 0.00 N ATOM 300 C4 DC B 10 3.239 0.286 6.024 1.00 0.00 C ATOM 301 N4 DC B 10 2.232 -0.067 6.781 1.00 0.00 N ATOM 302 C5 DC B 10 4.357 0.991 6.570 1.00 0.00 C ATOM 303 C6 DC B 10 5.400 1.223 5.744 1.00 0.00 C ATOM 0 H5' DC B 10 10.597 1.955 4.170 1.00 0.00 H new ATOM 0 H5'' DC B 10 9.900 0.704 5.180 1.00 0.00 H new ATOM 0 H4' DC B 10 8.954 0.650 2.420 1.00 0.00 H new ATOM 0 H3' DC B 10 8.865 3.278 3.858 1.00 0.00 H new ATOM 0 H2' DC B 10 6.611 3.024 4.405 1.00 0.00 H new ATOM 0 H2'' DC B 10 6.298 2.976 2.681 1.00 0.00 H new ATOM 0 H1' DC B 10 6.217 0.576 2.640 1.00 0.00 H new ATOM 0 H41 DC B 10 2.232 0.170 7.773 1.00 0.00 H new ATOM 0 H42 DC B 10 1.447 -0.579 6.379 1.00 0.00 H new ATOM 0 H5 DC B 10 4.367 1.323 7.598 1.00 0.00 H new ATOM 0 H6 DC B 10 6.266 1.757 6.106 1.00 0.00 H new ATOM 315 P DG B 11 8.677 4.546 1.486 1.00 0.00 P ATOM 316 OP1 DG B 11 9.586 4.585 0.315 1.00 0.00 O ATOM 317 OP2 DG B 11 9.005 5.329 2.692 1.00 0.00 O ATOM 318 O5' DG B 11 7.176 4.912 1.022 1.00 0.00 O ATOM 319 C5' DG B 11 6.754 4.712 -0.316 1.00 0.00 C ATOM 320 C4' DG B 11 5.237 4.654 -0.455 1.00 0.00 C ATOM 321 O4' DG B 11 4.710 3.680 0.415 1.00 0.00 O ATOM 322 C3' DG B 11 4.520 5.978 -0.202 1.00 0.00 C ATOM 323 O3' DG B 11 4.061 6.566 -1.405 1.00 0.00 O ATOM 324 C2' DG B 11 3.281 5.534 0.555 1.00 0.00 C ATOM 325 C1' DG B 11 3.361 4.010 0.630 1.00 0.00 C ATOM 326 N9 DG B 11 3.028 3.576 1.986 1.00 0.00 N ATOM 327 C8 DG B 11 3.774 3.828 3.093 1.00 0.00 C ATOM 328 N7 DG B 11 3.200 3.502 4.218 1.00 0.00 N ATOM 329 C5 DG B 11 1.954 3.003 3.811 1.00 0.00 C ATOM 330 C6 DG B 11 0.807 2.545 4.555 1.00 0.00 C ATOM 331 O6 DG B 11 0.621 2.470 5.767 1.00 0.00 O ATOM 332 N1 DG B 11 -0.244 2.163 3.743 1.00 0.00 N ATOM 333 C2 DG B 11 -0.220 2.208 2.388 1.00 0.00 C ATOM 334 N2 DG B 11 -1.325 1.859 1.785 1.00 0.00 N ATOM 335 N3 DG B 11 0.810 2.632 1.658 1.00 0.00 N ATOM 336 C4 DG B 11 1.862 3.021 2.434 1.00 0.00 C ATOM 0 H5' DG B 11 7.184 3.784 -0.693 1.00 0.00 H new ATOM 0 H5'' DG B 11 7.141 5.519 -0.938 1.00 0.00 H new ATOM 0 H4' DG B 11 5.056 4.399 -1.499 1.00 0.00 H new ATOM 0 H3' DG B 11 5.168 6.698 0.298 1.00 0.00 H new ATOM 0 H2' DG B 11 3.254 5.973 1.552 1.00 0.00 H new ATOM 0 H2'' DG B 11 2.374 5.853 0.041 1.00 0.00 H new ATOM 0 H1' DG B 11 2.686 3.548 -0.090 1.00 0.00 H new ATOM 0 H8 DG B 11 4.762 4.263 3.045 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.095 1.825 4.193 1.00 0.00 H new ATOM 0 H21 DG B 11 -1.376 1.870 0.766 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.137 1.575 2.333 1.00 0.00 H new ATOM 348 P DT B 12 4.828 7.751 -2.165 1.00 0.00 P ATOM 349 OP1 DT B 12 6.269 7.421 -2.291 1.00 0.00 O ATOM 350 OP2 DT B 12 4.436 9.040 -1.569 1.00 0.00 O ATOM 351 O5' DT B 12 4.145 7.621 -3.607 1.00 0.00 O ATOM 352 C5' DT B 12 4.374 6.481 -4.415 1.00 0.00 C ATOM 353 C4' DT B 12 3.481 6.422 -5.660 1.00 0.00 C ATOM 354 O4' DT B 12 2.310 5.713 -5.279 1.00 0.00 O ATOM 355 C3' DT B 12 3.012 7.794 -6.142 1.00 0.00 C ATOM 356 O3' DT B 12 2.793 7.792 -7.540 1.00 0.00 O ATOM 357 C2' DT B 12 1.649 7.918 -5.479 1.00 0.00 C ATOM 358 C1' DT B 12 1.181 6.478 -5.637 1.00 0.00 C ATOM 359 N1 DT B 12 0.009 6.221 -4.773 1.00 0.00 N ATOM 360 C2 DT B 12 -1.248 6.272 -5.387 1.00 0.00 C ATOM 361 O2 DT B 12 -1.422 6.419 -6.593 1.00 0.00 O ATOM 362 N3 DT B 12 -2.326 6.178 -4.547 1.00 0.00 N ATOM 363 C4 DT B 12 -2.279 6.008 -3.186 1.00 0.00 C ATOM 364 O4 DT B 12 -3.336 5.927 -2.575 1.00 0.00 O ATOM 365 C5 DT B 12 -0.938 5.951 -2.630 1.00 0.00 C ATOM 366 C7 DT B 12 -0.743 5.768 -1.148 1.00 0.00 C ATOM 367 C6 DT B 12 0.160 6.072 -3.414 1.00 0.00 C ATOM 0 H5' DT B 12 4.210 5.584 -3.818 1.00 0.00 H new ATOM 0 H5'' DT B 12 5.419 6.471 -4.726 1.00 0.00 H new ATOM 0 H4' DT B 12 4.057 5.963 -6.463 1.00 0.00 H new ATOM 0 H3' DT B 12 3.729 8.582 -5.914 1.00 0.00 H new ATOM 0 H2' DT B 12 1.714 8.228 -4.436 1.00 0.00 H new ATOM 0 H2'' DT B 12 0.998 8.631 -5.984 1.00 0.00 H new ATOM 0 H1' DT B 12 0.844 6.233 -6.644 1.00 0.00 H new ATOM 0 H3 DT B 12 -3.251 6.240 -4.973 1.00 0.00 H new ATOM 0 H71 DT B 12 0.191 5.236 -0.967 1.00 0.00 H new ATOM 0 H72 DT B 12 -0.705 6.743 -0.663 1.00 0.00 H new ATOM 0 H73 DT B 12 -1.573 5.192 -0.740 1.00 0.00 H new ATOM 0 H6 DT B 12 1.147 6.052 -2.975 1.00 0.00 H new ATOM 380 P DT B 13 3.193 9.041 -8.458 1.00 0.00 P ATOM 381 OP1 DT B 13 3.391 10.233 -7.592 1.00 0.00 O ATOM 382 OP2 DT B 13 2.265 9.121 -9.597 1.00 0.00 O ATOM 383 O5' DT B 13 4.613 8.542 -8.989 1.00 0.00 O ATOM 384 C5' DT B 13 5.713 8.317 -8.131 1.00 0.00 C ATOM 385 C4' DT B 13 6.742 7.548 -8.960 1.00 0.00 C ATOM 386 O4' DT B 13 7.260 8.365 -10.007 1.00 0.00 O ATOM 387 C3' DT B 13 7.943 7.037 -8.153 1.00 0.00 C ATOM 388 O3' DT B 13 8.060 5.642 -8.342 1.00 0.00 O ATOM 389 C2' DT B 13 9.132 7.782 -8.758 1.00 0.00 C ATOM 390 C1' DT B 13 8.508 8.893 -9.598 1.00 0.00 C ATOM 391 N1 DT B 13 8.367 10.223 -8.951 1.00 0.00 N ATOM 392 C2 DT B 13 8.348 11.341 -9.792 1.00 0.00 C ATOM 393 O2 DT B 13 8.286 11.293 -11.017 1.00 0.00 O ATOM 394 N3 DT B 13 8.376 12.560 -9.163 1.00 0.00 N ATOM 395 C4 DT B 13 8.438 12.770 -7.806 1.00 0.00 C ATOM 396 O4 DT B 13 8.506 13.924 -7.408 1.00 0.00 O ATOM 397 C5 DT B 13 8.413 11.559 -7.001 1.00 0.00 C ATOM 398 C7 DT B 13 8.453 11.617 -5.489 1.00 0.00 C ATOM 399 C6 DT B 13 8.378 10.342 -7.588 1.00 0.00 C ATOM 0 H5' DT B 13 5.413 7.745 -7.253 1.00 0.00 H new ATOM 0 H5'' DT B 13 6.127 9.259 -7.771 1.00 0.00 H new ATOM 0 H4' DT B 13 6.195 6.688 -9.346 1.00 0.00 H new ATOM 0 H3' DT B 13 7.863 7.207 -7.079 1.00 0.00 H new ATOM 0 H2' DT B 13 9.780 8.189 -7.982 1.00 0.00 H new ATOM 0 H2'' DT B 13 9.744 7.120 -9.370 1.00 0.00 H new ATOM 0 H1' DT B 13 9.179 9.136 -10.422 1.00 0.00 H new ATOM 0 H3 DT B 13 8.348 13.388 -9.758 1.00 0.00 H new ATOM 0 H71 DT B 13 7.917 10.762 -5.078 1.00 0.00 H new ATOM 0 H72 DT B 13 9.489 11.593 -5.151 1.00 0.00 H new ATOM 0 H73 DT B 13 7.982 12.539 -5.148 1.00 0.00 H new ATOM 0 H6 DT B 13 8.358 9.454 -6.974 1.00 0.00 H new ATOM 412 P DG B 14 9.155 4.737 -7.573 1.00 0.00 P ATOM 413 OP1 DG B 14 10.507 5.261 -7.851 1.00 0.00 O ATOM 414 OP2 DG B 14 8.823 3.324 -7.851 1.00 0.00 O ATOM 415 O5' DG B 14 8.814 5.043 -6.032 1.00 0.00 O ATOM 416 C5' DG B 14 7.506 4.884 -5.538 1.00 0.00 C ATOM 417 C4' DG B 14 7.514 4.059 -4.256 1.00 0.00 C ATOM 418 O4' DG B 14 6.260 4.018 -3.607 1.00 0.00 O ATOM 419 C3' DG B 14 8.098 2.661 -4.352 1.00 0.00 C ATOM 420 O3' DG B 14 8.904 2.484 -3.190 1.00 0.00 O ATOM 421 C2' DG B 14 6.833 1.837 -4.318 1.00 0.00 C ATOM 422 C1' DG B 14 5.776 2.695 -3.610 1.00 0.00 C ATOM 423 N9 DG B 14 4.531 2.753 -4.377 1.00 0.00 N ATOM 424 C8 DG B 14 4.463 3.036 -5.700 1.00 0.00 C ATOM 425 N7 DG B 14 3.263 3.000 -6.204 1.00 0.00 N ATOM 426 C5 DG B 14 2.455 2.770 -5.078 1.00 0.00 C ATOM 427 C6 DG B 14 1.024 2.732 -4.921 1.00 0.00 C ATOM 428 O6 DG B 14 0.121 2.854 -5.747 1.00 0.00 O ATOM 429 N1 DG B 14 0.630 2.558 -3.610 1.00 0.00 N ATOM 430 C2 DG B 14 1.478 2.428 -2.558 1.00 0.00 C ATOM 431 N2 DG B 14 0.901 2.254 -1.389 1.00 0.00 N ATOM 432 N3 DG B 14 2.808 2.463 -2.655 1.00 0.00 N ATOM 433 C4 DG B 14 3.233 2.644 -3.944 1.00 0.00 C ATOM 0 H5' DG B 14 6.885 4.394 -6.288 1.00 0.00 H new ATOM 0 H5'' DG B 14 7.063 5.861 -5.346 1.00 0.00 H new ATOM 0 H4' DG B 14 8.216 4.623 -3.642 1.00 0.00 H new ATOM 0 H3' DG B 14 8.724 2.422 -5.211 1.00 0.00 H new ATOM 0 H2' DG B 14 6.511 1.578 -5.327 1.00 0.00 H new ATOM 0 H2'' DG B 14 6.994 0.900 -3.784 1.00 0.00 H new ATOM 0 H1' DG B 14 5.593 2.273 -2.622 1.00 0.00 H new ATOM 0 H8 DG B 14 5.336 3.273 -6.290 1.00 0.00 H new ATOM 0 H1 DG B 14 -0.371 2.525 -3.417 1.00 0.00 H new ATOM 0 H21 DG B 14 1.471 2.148 -0.550 1.00 0.00 H new ATOM 0 H22 DG B 14 -0.116 2.225 -1.322 1.00 0.00 H new ATOM 445 P DC B 15 9.611 1.096 -2.771 1.00 0.00 P ATOM 446 OP1 DC B 15 10.694 1.421 -1.813 1.00 0.00 O ATOM 447 OP2 DC B 15 9.884 0.296 -3.978 1.00 0.00 O ATOM 448 O5' DC B 15 8.457 0.349 -1.926 1.00 0.00 O ATOM 449 C5' DC B 15 7.876 0.983 -0.804 1.00 0.00 C ATOM 450 C4' DC B 15 6.613 0.305 -0.286 1.00 0.00 C ATOM 451 O4' DC B 15 5.441 0.674 -0.950 1.00 0.00 O ATOM 452 C3' DC B 15 6.686 -1.214 -0.251 1.00 0.00 C ATOM 453 O3' DC B 15 7.461 -1.605 0.869 1.00 0.00 O ATOM 454 C2' DC B 15 5.208 -1.580 -0.180 1.00 0.00 C ATOM 455 C1' DC B 15 4.480 -0.342 -0.724 1.00 0.00 C ATOM 456 N1 DC B 15 3.880 -0.618 -2.045 1.00 0.00 N ATOM 457 C2 DC B 15 2.505 -0.777 -2.174 1.00 0.00 C ATOM 458 O2 DC B 15 1.788 -0.867 -1.178 1.00 0.00 O ATOM 459 N3 DC B 15 1.935 -0.810 -3.408 1.00 0.00 N ATOM 460 C4 DC B 15 2.732 -0.757 -4.468 1.00 0.00 C ATOM 461 N4 DC B 15 2.149 -0.729 -5.640 1.00 0.00 N ATOM 462 C5 DC B 15 4.156 -0.680 -4.387 1.00 0.00 C ATOM 463 C6 DC B 15 4.686 -0.611 -3.143 1.00 0.00 C ATOM 0 H5' DC B 15 7.640 2.014 -1.066 1.00 0.00 H new ATOM 0 H5'' DC B 15 8.611 1.019 -0.000 1.00 0.00 H new ATOM 0 H4' DC B 15 6.565 0.679 0.737 1.00 0.00 H new ATOM 0 H3' DC B 15 7.171 -1.712 -1.090 1.00 0.00 H new ATOM 0 H2' DC B 15 4.989 -2.464 -0.778 1.00 0.00 H new ATOM 0 H2'' DC B 15 4.903 -1.803 0.842 1.00 0.00 H new ATOM 0 H1' DC B 15 3.712 -0.058 -0.004 1.00 0.00 H new ATOM 0 H41 DC B 15 2.713 -0.688 -6.489 1.00 0.00 H new ATOM 0 H42 DC B 15 1.131 -0.748 -5.704 1.00 0.00 H new ATOM 0 H5 DC B 15 4.777 -0.677 -5.271 1.00 0.00 H new ATOM 0 H6 DC B 15 5.757 -0.550 -3.020 1.00 0.00 H new ATOM 475 P DT B 16 7.790 -3.135 1.214 1.00 0.00 P ATOM 476 OP1 DT B 16 9.234 -3.137 1.576 1.00 0.00 O ATOM 477 OP2 DT B 16 7.345 -3.989 0.102 1.00 0.00 O ATOM 478 O5' DT B 16 6.903 -3.443 2.521 1.00 0.00 O ATOM 479 C5' DT B 16 7.059 -2.644 3.681 1.00 0.00 C ATOM 480 C4' DT B 16 6.135 -2.994 4.844 1.00 0.00 C ATOM 481 O4' DT B 16 4.804 -2.635 4.596 1.00 0.00 O ATOM 482 C3' DT B 16 6.102 -4.471 5.185 1.00 0.00 C ATOM 483 O3' DT B 16 7.205 -4.811 6.003 1.00 0.00 O ATOM 484 C2' DT B 16 4.793 -4.584 5.952 1.00 0.00 C ATOM 485 C1' DT B 16 3.980 -3.374 5.476 1.00 0.00 C ATOM 486 N1 DT B 16 2.774 -3.835 4.766 1.00 0.00 N ATOM 487 C2 DT B 16 1.662 -4.166 5.544 1.00 0.00 C ATOM 488 O2 DT B 16 1.644 -4.056 6.767 1.00 0.00 O ATOM 489 N3 DT B 16 0.584 -4.674 4.860 1.00 0.00 N ATOM 490 C4 DT B 16 0.521 -4.885 3.502 1.00 0.00 C ATOM 491 O4 DT B 16 -0.508 -5.343 3.025 1.00 0.00 O ATOM 492 C5 DT B 16 1.732 -4.522 2.781 1.00 0.00 C ATOM 493 C7 DT B 16 1.819 -4.629 1.287 1.00 0.00 C ATOM 494 C6 DT B 16 2.808 -4.023 3.412 1.00 0.00 C ATOM 0 H5' DT B 16 6.894 -1.602 3.409 1.00 0.00 H new ATOM 0 H5'' DT B 16 8.091 -2.725 4.022 1.00 0.00 H new ATOM 0 H4' DT B 16 6.560 -2.427 5.672 1.00 0.00 H new ATOM 0 H3' DT B 16 6.161 -5.135 4.322 1.00 0.00 H new ATOM 0 H2' DT B 16 4.281 -5.521 5.732 1.00 0.00 H new ATOM 0 H2'' DT B 16 4.958 -4.556 7.029 1.00 0.00 H new ATOM 0 HO3' DT B 16 7.171 -5.767 6.217 1.00 0.00 H new ATOM 0 H1' DT B 16 3.667 -2.758 6.319 1.00 0.00 H new ATOM 0 H3 DT B 16 -0.242 -4.916 5.407 1.00 0.00 H new ATOM 0 H71 DT B 16 1.174 -5.437 0.942 1.00 0.00 H new ATOM 0 H72 DT B 16 1.498 -3.690 0.836 1.00 0.00 H new ATOM 0 H73 DT B 16 2.849 -4.838 0.997 1.00 0.00 H new ATOM 0 H6 DT B 16 3.696 -3.771 2.852 1.00 0.00 H new TER 508 DT B 16