USER MOD reduce.3.24.130724 H: found=0, std=0, add=212, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 212 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: B 9 DT C7 :methyl 150:sc= -0.206 (180deg=-0.206) USER MOD Set 1.2: B 10 DT C7 :methyl 150:sc= -0.488 (180deg=-0.488) USER MOD Single : A 1 DA O5' : rot 180:sc= 0 USER MOD Single : A 6 DA O3' : rot 180:sc= 0 USER MOD Single : B 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 7 DT O5' : rot 180:sc= 0 USER MOD Single : B 12 DT C7 :methyl 150:sc=-0.00103 (180deg=-0.00103) USER MOD Single : B 12 DT O3' : rot 180:sc= 0 USER MOD Single : C 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 13 DT O5' : rot 180:sc= 0 USER MOD Single : C 15 DT C7 :methyl 150:sc= -0.345 (180deg=-0.345) USER MOD Single : C 16 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 18 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 18 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -3.390 -8.031 -8.453 1.00 0.00 O ATOM 2 C5' DA A 1 -2.670 -8.815 -9.380 1.00 0.00 C ATOM 3 C4' DA A 1 -1.158 -8.675 -9.169 1.00 0.00 C ATOM 4 O4' DA A 1 -0.770 -7.332 -9.403 1.00 0.00 O ATOM 5 C3' DA A 1 -0.729 -9.055 -7.747 1.00 0.00 C ATOM 6 O3' DA A 1 0.473 -9.806 -7.811 1.00 0.00 O ATOM 7 C2' DA A 1 -0.545 -7.693 -7.083 1.00 0.00 C ATOM 8 C1' DA A 1 -0.139 -6.799 -8.253 1.00 0.00 C ATOM 9 N9 DA A 1 -0.568 -5.385 -8.112 1.00 0.00 N ATOM 10 C8 DA A 1 -1.811 -4.891 -7.790 1.00 0.00 C ATOM 11 N7 DA A 1 -1.882 -3.590 -7.747 1.00 0.00 N ATOM 12 C5 DA A 1 -0.595 -3.181 -8.066 1.00 0.00 C ATOM 13 C6 DA A 1 0.000 -1.907 -8.203 1.00 0.00 C ATOM 14 N6 DA A 1 -0.663 -0.759 -8.034 1.00 0.00 N ATOM 15 N1 DA A 1 1.305 -1.845 -8.528 1.00 0.00 N ATOM 16 C2 DA A 1 1.983 -2.972 -8.708 1.00 0.00 C ATOM 17 N3 DA A 1 1.544 -4.228 -8.615 1.00 0.00 N ATOM 18 C4 DA A 1 0.221 -4.267 -8.286 1.00 0.00 C ATOM 0 H5' DA A 1 -2.928 -8.511 -10.395 1.00 0.00 H new ATOM 0 H5'' DA A 1 -2.959 -9.861 -9.277 1.00 0.00 H new ATOM 0 H4' DA A 1 -0.674 -9.356 -9.869 1.00 0.00 H new ATOM 0 H3' DA A 1 -1.433 -9.680 -7.197 1.00 0.00 H new ATOM 0 H2' DA A 1 -1.463 -7.347 -6.609 1.00 0.00 H new ATOM 0 H2'' DA A 1 0.222 -7.720 -6.309 1.00 0.00 H new ATOM 0 HO5' DA A 1 -4.351 -8.138 -8.611 1.00 0.00 H new ATOM 0 H1' DA A 1 0.950 -6.789 -8.306 1.00 0.00 H new ATOM 0 H8 DA A 1 -2.659 -5.529 -7.589 1.00 0.00 H new ATOM 0 H61 DA A 1 -0.178 0.131 -8.147 1.00 0.00 H new ATOM 0 H62 DA A 1 -1.654 -0.773 -7.792 1.00 0.00 H new ATOM 0 H2 DA A 1 3.026 -2.857 -8.963 1.00 0.00 H new ATOM 31 P DG A 2 1.154 -10.465 -6.500 1.00 0.00 P ATOM 32 OP1 DG A 2 1.962 -11.627 -6.933 1.00 0.00 O ATOM 33 OP2 DG A 2 0.113 -10.641 -5.461 1.00 0.00 O ATOM 34 O5' DG A 2 2.158 -9.305 -6.009 1.00 0.00 O ATOM 35 C5' DG A 2 3.373 -9.047 -6.683 1.00 0.00 C ATOM 36 C4' DG A 2 4.031 -7.797 -6.098 1.00 0.00 C ATOM 37 O4' DG A 2 3.234 -6.659 -6.367 1.00 0.00 O ATOM 38 C3' DG A 2 4.227 -7.873 -4.573 1.00 0.00 C ATOM 39 O3' DG A 2 5.616 -7.819 -4.290 1.00 0.00 O ATOM 40 C2' DG A 2 3.453 -6.647 -4.070 1.00 0.00 C ATOM 41 C1' DG A 2 3.430 -5.763 -5.298 1.00 0.00 C ATOM 42 N9 DG A 2 2.331 -4.784 -5.209 1.00 0.00 N ATOM 43 C8 DG A 2 1.001 -5.025 -4.997 1.00 0.00 C ATOM 44 N7 DG A 2 0.260 -3.954 -4.964 1.00 0.00 N ATOM 45 C5 DG A 2 1.169 -2.922 -5.170 1.00 0.00 C ATOM 46 C6 DG A 2 0.960 -1.513 -5.231 1.00 0.00 C ATOM 47 O6 DG A 2 -0.099 -0.905 -5.113 1.00 0.00 O ATOM 48 N1 DG A 2 2.144 -0.808 -5.453 1.00 0.00 N ATOM 49 C2 DG A 2 3.389 -1.398 -5.600 1.00 0.00 C ATOM 50 N2 DG A 2 4.432 -0.583 -5.800 1.00 0.00 N ATOM 51 N3 DG A 2 3.586 -2.724 -5.538 1.00 0.00 N ATOM 52 C4 DG A 2 2.441 -3.424 -5.323 1.00 0.00 C ATOM 0 H5' DG A 2 3.187 -8.907 -7.748 1.00 0.00 H new ATOM 0 H5'' DG A 2 4.043 -9.902 -6.586 1.00 0.00 H new ATOM 0 H4' DG A 2 5.011 -7.726 -6.571 1.00 0.00 H new ATOM 0 H3' DG A 2 3.869 -8.785 -4.096 1.00 0.00 H new ATOM 0 H2' DG A 2 2.449 -6.908 -3.736 1.00 0.00 H new ATOM 0 H2'' DG A 2 3.953 -6.165 -3.230 1.00 0.00 H new ATOM 0 H1' DG A 2 4.343 -5.179 -5.417 1.00 0.00 H new ATOM 0 H8 DG A 2 0.599 -6.019 -4.868 1.00 0.00 H new ATOM 0 H1 DG A 2 2.089 0.209 -5.511 1.00 0.00 H new ATOM 0 H21 DG A 2 5.368 -0.971 -5.914 1.00 0.00 H new ATOM 0 H22 DG A 2 4.290 0.426 -5.839 1.00 0.00 H new ATOM 64 P DA A 3 6.203 -7.813 -2.783 1.00 0.00 P ATOM 65 OP1 DA A 3 7.579 -8.355 -2.818 1.00 0.00 O ATOM 66 OP2 DA A 3 5.197 -8.410 -1.874 1.00 0.00 O ATOM 67 O5' DA A 3 6.288 -6.234 -2.474 1.00 0.00 O ATOM 68 C5' DA A 3 7.155 -5.394 -3.209 1.00 0.00 C ATOM 69 C4' DA A 3 6.893 -3.931 -2.860 1.00 0.00 C ATOM 70 O4' DA A 3 5.575 -3.539 -3.183 1.00 0.00 O ATOM 71 C3' DA A 3 7.108 -3.591 -1.379 1.00 0.00 C ATOM 72 O3' DA A 3 8.371 -2.970 -1.224 1.00 0.00 O ATOM 73 C2' DA A 3 5.898 -2.703 -1.056 1.00 0.00 C ATOM 74 C1' DA A 3 5.328 -2.375 -2.426 1.00 0.00 C ATOM 75 N9 DA A 3 3.879 -2.133 -2.294 1.00 0.00 N ATOM 76 C8 DA A 3 2.888 -3.048 -2.041 1.00 0.00 C ATOM 77 N7 DA A 3 1.696 -2.527 -1.980 1.00 0.00 N ATOM 78 C5 DA A 3 1.907 -1.174 -2.202 1.00 0.00 C ATOM 79 C6 DA A 3 1.041 -0.060 -2.267 1.00 0.00 C ATOM 80 N6 DA A 3 -0.284 -0.140 -2.111 1.00 0.00 N ATOM 81 N1 DA A 3 1.581 1.148 -2.503 1.00 0.00 N ATOM 82 C2 DA A 3 2.895 1.255 -2.665 1.00 0.00 C ATOM 83 N3 DA A 3 3.814 0.293 -2.630 1.00 0.00 N ATOM 84 C4 DA A 3 3.243 -0.920 -2.393 1.00 0.00 C ATOM 0 H5' DA A 3 7.008 -5.553 -4.277 1.00 0.00 H new ATOM 0 H5'' DA A 3 8.192 -5.648 -2.989 1.00 0.00 H new ATOM 0 H4' DA A 3 7.626 -3.390 -3.459 1.00 0.00 H new ATOM 0 H3' DA A 3 7.147 -4.437 -0.693 1.00 0.00 H new ATOM 0 H2' DA A 3 5.172 -3.224 -0.433 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.193 -1.803 -0.517 1.00 0.00 H new ATOM 0 H1' DA A 3 5.765 -1.488 -2.885 1.00 0.00 H new ATOM 0 H8 DA A 3 3.079 -4.102 -1.905 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.856 0.702 -2.169 1.00 0.00 H new ATOM 0 H62 DA A 3 -0.723 -1.043 -1.934 1.00 0.00 H new ATOM 0 H2 DA A 3 3.266 2.252 -2.849 1.00 0.00 H new ATOM 96 P DA A 4 8.949 -2.521 0.216 1.00 0.00 P ATOM 97 OP1 DA A 4 10.403 -2.276 0.077 1.00 0.00 O ATOM 98 OP2 DA A 4 8.457 -3.465 1.244 1.00 0.00 O ATOM 99 O5' DA A 4 8.219 -1.107 0.437 1.00 0.00 O ATOM 100 C5' DA A 4 8.430 -0.022 -0.445 1.00 0.00 C ATOM 101 C4' DA A 4 7.454 1.111 -0.121 1.00 0.00 C ATOM 102 O4' DA A 4 6.113 0.775 -0.431 1.00 0.00 O ATOM 103 C3' DA A 4 7.495 1.524 1.358 1.00 0.00 C ATOM 104 O3' DA A 4 8.116 2.790 1.511 1.00 0.00 O ATOM 105 C2' DA A 4 6.014 1.523 1.723 1.00 0.00 C ATOM 106 C1' DA A 4 5.307 1.594 0.388 1.00 0.00 C ATOM 107 N9 DA A 4 3.954 1.044 0.578 1.00 0.00 N ATOM 108 C8 DA A 4 3.599 -0.247 0.852 1.00 0.00 C ATOM 109 N7 DA A 4 2.314 -0.430 0.966 1.00 0.00 N ATOM 110 C5 DA A 4 1.775 0.832 0.761 1.00 0.00 C ATOM 111 C6 DA A 4 0.454 1.331 0.748 1.00 0.00 C ATOM 112 N6 DA A 4 -0.626 0.558 0.946 1.00 0.00 N ATOM 113 N1 DA A 4 0.283 2.649 0.515 1.00 0.00 N ATOM 114 C2 DA A 4 1.350 3.422 0.312 1.00 0.00 C ATOM 115 N3 DA A 4 2.632 3.074 0.297 1.00 0.00 N ATOM 116 C4 DA A 4 2.777 1.744 0.528 1.00 0.00 C ATOM 0 H5' DA A 4 8.293 -0.348 -1.476 1.00 0.00 H new ATOM 0 H5'' DA A 4 9.456 0.334 -0.358 1.00 0.00 H new ATOM 0 H4' DA A 4 7.784 1.942 -0.745 1.00 0.00 H new ATOM 0 H3' DA A 4 8.082 0.871 2.004 1.00 0.00 H new ATOM 0 H2' DA A 4 5.739 0.623 2.273 1.00 0.00 H new ATOM 0 H2'' DA A 4 5.758 2.373 2.356 1.00 0.00 H new ATOM 0 H1' DA A 4 5.188 2.589 -0.041 1.00 0.00 H new ATOM 0 H8 DA A 4 4.319 -1.044 0.964 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.559 0.970 0.926 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.514 -0.441 1.116 1.00 0.00 H new ATOM 0 H2 DA A 4 1.145 4.468 0.137 1.00 0.00 H new ATOM 128 P DG A 5 8.440 3.423 2.968 1.00 0.00 P ATOM 129 OP1 DG A 5 9.573 4.364 2.817 1.00 0.00 O ATOM 130 OP2 DG A 5 8.533 2.322 3.954 1.00 0.00 O ATOM 131 O5' DG A 5 7.118 4.281 3.306 1.00 0.00 O ATOM 132 C5' DG A 5 6.812 5.463 2.593 1.00 0.00 C ATOM 133 C4' DG A 5 5.426 5.968 2.994 1.00 0.00 C ATOM 134 O4' DG A 5 4.458 4.966 2.742 1.00 0.00 O ATOM 135 C3' DG A 5 5.304 6.358 4.479 1.00 0.00 C ATOM 136 O3' DG A 5 5.000 7.743 4.556 1.00 0.00 O ATOM 137 C2' DG A 5 4.174 5.459 4.973 1.00 0.00 C ATOM 138 C1' DG A 5 3.430 5.157 3.684 1.00 0.00 C ATOM 139 N9 DG A 5 2.622 3.930 3.827 1.00 0.00 N ATOM 140 C8 DG A 5 3.040 2.661 4.124 1.00 0.00 C ATOM 141 N7 DG A 5 2.078 1.787 4.181 1.00 0.00 N ATOM 142 C5 DG A 5 0.935 2.522 3.916 1.00 0.00 C ATOM 143 C6 DG A 5 -0.426 2.104 3.844 1.00 0.00 C ATOM 144 O6 DG A 5 -0.880 0.969 3.993 1.00 0.00 O ATOM 145 N1 DG A 5 -1.280 3.169 3.559 1.00 0.00 N ATOM 146 C2 DG A 5 -0.871 4.480 3.375 1.00 0.00 C ATOM 147 N2 DG A 5 -1.817 5.393 3.136 1.00 0.00 N ATOM 148 N3 DG A 5 0.411 4.868 3.441 1.00 0.00 N ATOM 149 C4 DG A 5 1.260 3.842 3.707 1.00 0.00 C ATOM 0 H5' DG A 5 6.842 5.269 1.521 1.00 0.00 H new ATOM 0 H5'' DG A 5 7.561 6.227 2.800 1.00 0.00 H new ATOM 0 H4' DG A 5 5.262 6.864 2.396 1.00 0.00 H new ATOM 0 H3' DG A 5 6.202 6.221 5.081 1.00 0.00 H new ATOM 0 H2' DG A 5 4.550 4.554 5.449 1.00 0.00 H new ATOM 0 H2'' DG A 5 3.540 5.963 5.702 1.00 0.00 H new ATOM 0 H1' DG A 5 2.737 5.948 3.399 1.00 0.00 H new ATOM 0 H8 DG A 5 4.076 2.408 4.296 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.277 2.969 3.480 1.00 0.00 H new ATOM 0 H21 DG A 5 -1.559 6.370 2.995 1.00 0.00 H new ATOM 0 H22 DG A 5 -2.797 5.113 3.095 1.00 0.00 H new ATOM 161 P DA A 6 4.737 8.509 5.955 1.00 0.00 P ATOM 162 OP1 DA A 6 5.133 9.924 5.787 1.00 0.00 O ATOM 163 OP2 DA A 6 5.324 7.707 7.053 1.00 0.00 O ATOM 164 O5' DA A 6 3.129 8.447 6.091 1.00 0.00 O ATOM 165 C5' DA A 6 2.286 9.163 5.208 1.00 0.00 C ATOM 166 C4' DA A 6 0.818 8.936 5.577 1.00 0.00 C ATOM 167 O4' DA A 6 0.481 7.571 5.387 1.00 0.00 O ATOM 168 C3' DA A 6 0.529 9.283 7.046 1.00 0.00 C ATOM 169 O3' DA A 6 -0.648 10.061 7.143 1.00 0.00 O ATOM 170 C2' DA A 6 0.293 7.915 7.675 1.00 0.00 C ATOM 171 C1' DA A 6 -0.306 7.171 6.489 1.00 0.00 C ATOM 172 N9 DA A 6 -0.269 5.714 6.681 1.00 0.00 N ATOM 173 C8 DA A 6 0.763 4.856 6.972 1.00 0.00 C ATOM 174 N7 DA A 6 0.389 3.608 7.063 1.00 0.00 N ATOM 175 C5 DA A 6 -0.980 3.641 6.821 1.00 0.00 C ATOM 176 C6 DA A 6 -2.000 2.663 6.767 1.00 0.00 C ATOM 177 N6 DA A 6 -1.766 1.361 6.966 1.00 0.00 N ATOM 178 N1 DA A 6 -3.262 3.074 6.498 1.00 0.00 N ATOM 179 C2 DA A 6 -3.486 4.375 6.298 1.00 0.00 C ATOM 180 N3 DA A 6 -2.625 5.372 6.322 1.00 0.00 N ATOM 181 C4 DA A 6 -1.376 4.930 6.591 1.00 0.00 C ATOM 0 H5' DA A 6 2.465 8.841 4.182 1.00 0.00 H new ATOM 0 H5'' DA A 6 2.520 10.227 5.253 1.00 0.00 H new ATOM 0 H4' DA A 6 0.227 9.588 4.933 1.00 0.00 H new ATOM 0 H3' DA A 6 1.327 9.855 7.520 1.00 0.00 H new ATOM 0 H2' DA A 6 1.216 7.456 8.030 1.00 0.00 H new ATOM 0 H2'' DA A 6 -0.388 7.960 8.525 1.00 0.00 H new ATOM 0 HO3' DA A 6 -0.823 10.274 8.083 1.00 0.00 H new ATOM 0 H1' DA A 6 -1.361 7.408 6.350 1.00 0.00 H new ATOM 0 H8 DA A 6 1.783 5.181 7.112 1.00 0.00 H new ATOM 0 H61 DA A 6 -2.534 0.692 6.917 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.820 1.038 7.167 1.00 0.00 H new ATOM 0 H2 DA A 6 -4.510 4.646 6.088 1.00 0.00 H new TER 194 DA A 6 ATOM 195 O5' DT B 7 -11.496 -1.564 7.227 1.00 0.00 O ATOM 196 C5' DT B 7 -11.473 -1.222 5.859 1.00 0.00 C ATOM 197 C4' DT B 7 -11.336 0.298 5.703 1.00 0.00 C ATOM 198 O4' DT B 7 -10.102 0.723 6.261 1.00 0.00 O ATOM 199 C3' DT B 7 -11.327 0.701 4.224 1.00 0.00 C ATOM 200 O3' DT B 7 -11.952 1.967 4.092 1.00 0.00 O ATOM 201 C2' DT B 7 -9.834 0.718 3.927 1.00 0.00 C ATOM 202 C1' DT B 7 -9.272 1.244 5.238 1.00 0.00 C ATOM 203 N1 DT B 7 -7.858 0.829 5.452 1.00 0.00 N ATOM 204 C2 DT B 7 -6.892 1.802 5.725 1.00 0.00 C ATOM 205 O2 DT B 7 -7.146 3.002 5.797 1.00 0.00 O ATOM 206 N3 DT B 7 -5.594 1.339 5.915 1.00 0.00 N ATOM 207 C4 DT B 7 -5.181 0.011 5.854 1.00 0.00 C ATOM 208 O4 DT B 7 -4.005 -0.287 6.045 1.00 0.00 O ATOM 209 C5 DT B 7 -6.243 -0.933 5.565 1.00 0.00 C ATOM 210 C7 DT B 7 -5.916 -2.411 5.473 1.00 0.00 C ATOM 211 C6 DT B 7 -7.516 -0.502 5.378 1.00 0.00 C ATOM 0 H5' DT B 7 -12.387 -1.565 5.374 1.00 0.00 H new ATOM 0 H5'' DT B 7 -10.642 -1.724 5.364 1.00 0.00 H new ATOM 0 H4' DT B 7 -12.183 0.760 6.210 1.00 0.00 H new ATOM 0 H3' DT B 7 -11.869 0.051 3.537 1.00 0.00 H new ATOM 0 H2' DT B 7 -9.452 -0.274 3.685 1.00 0.00 H new ATOM 0 H2'' DT B 7 -9.590 1.367 3.086 1.00 0.00 H new ATOM 0 HO5' DT B 7 -11.585 -2.536 7.320 1.00 0.00 H new ATOM 0 H1' DT B 7 -9.265 2.334 5.234 1.00 0.00 H new ATOM 0 H3 DT B 7 -4.879 2.037 6.118 1.00 0.00 H new ATOM 0 H71 DT B 7 -6.783 -2.995 5.781 1.00 0.00 H new ATOM 0 H72 DT B 7 -5.655 -2.663 4.445 1.00 0.00 H new ATOM 0 H73 DT B 7 -5.074 -2.639 6.127 1.00 0.00 H new ATOM 0 H6 DT B 7 -8.287 -1.228 5.164 1.00 0.00 H new ATOM 225 P DC B 8 -12.211 2.660 2.655 1.00 0.00 P ATOM 226 OP1 DC B 8 -13.440 3.481 2.753 1.00 0.00 O ATOM 227 OP2 DC B 8 -12.103 1.627 1.601 1.00 0.00 O ATOM 228 O5' DC B 8 -10.950 3.650 2.515 1.00 0.00 O ATOM 229 C5' DC B 8 -10.899 4.886 3.202 1.00 0.00 C ATOM 230 C4' DC B 8 -9.547 5.556 2.947 1.00 0.00 C ATOM 231 O4' DC B 8 -8.509 4.745 3.453 1.00 0.00 O ATOM 232 C3' DC B 8 -9.251 5.778 1.457 1.00 0.00 C ATOM 233 O3' DC B 8 -9.459 7.148 1.143 1.00 0.00 O ATOM 234 C2' DC B 8 -7.785 5.344 1.324 1.00 0.00 C ATOM 235 C1' DC B 8 -7.335 5.095 2.755 1.00 0.00 C ATOM 236 N1 DC B 8 -6.378 3.966 2.810 1.00 0.00 N ATOM 237 C2 DC B 8 -5.076 4.183 3.253 1.00 0.00 C ATOM 238 O2 DC B 8 -4.691 5.315 3.538 1.00 0.00 O ATOM 239 N3 DC B 8 -4.228 3.116 3.301 1.00 0.00 N ATOM 240 C4 DC B 8 -4.625 1.885 2.938 1.00 0.00 C ATOM 241 N4 DC B 8 -3.747 0.874 3.011 1.00 0.00 N ATOM 242 C5 DC B 8 -5.966 1.647 2.472 1.00 0.00 C ATOM 243 C6 DC B 8 -6.797 2.718 2.429 1.00 0.00 C ATOM 0 H5' DC B 8 -11.042 4.726 4.271 1.00 0.00 H new ATOM 0 H5'' DC B 8 -11.708 5.535 2.866 1.00 0.00 H new ATOM 0 H4' DC B 8 -9.597 6.525 3.444 1.00 0.00 H new ATOM 0 H3' DC B 8 -9.889 5.222 0.770 1.00 0.00 H new ATOM 0 H2' DC B 8 -7.690 4.445 0.715 1.00 0.00 H new ATOM 0 H2'' DC B 8 -7.183 6.117 0.847 1.00 0.00 H new ATOM 0 H1' DC B 8 -6.837 5.968 3.177 1.00 0.00 H new ATOM 0 H41 DC B 8 -4.030 -0.068 2.740 1.00 0.00 H new ATOM 0 H42 DC B 8 -2.796 1.047 3.338 1.00 0.00 H new ATOM 0 H5 DC B 8 -6.295 0.663 2.171 1.00 0.00 H new ATOM 0 H6 DC B 8 -7.813 2.584 2.087 1.00 0.00 H new ATOM 255 P DT B 9 -9.331 7.737 -0.361 1.00 0.00 P ATOM 256 OP1 DT B 9 -9.961 9.077 -0.381 1.00 0.00 O ATOM 257 OP2 DT B 9 -9.790 6.699 -1.311 1.00 0.00 O ATOM 258 O5' DT B 9 -7.742 7.932 -0.565 1.00 0.00 O ATOM 259 C5' DT B 9 -7.005 8.884 0.182 1.00 0.00 C ATOM 260 C4' DT B 9 -5.502 8.665 -0.021 1.00 0.00 C ATOM 261 O4' DT B 9 -5.107 7.391 0.456 1.00 0.00 O ATOM 262 C3' DT B 9 -5.070 8.754 -1.491 1.00 0.00 C ATOM 263 O3' DT B 9 -4.381 9.977 -1.699 1.00 0.00 O ATOM 264 C2' DT B 9 -4.202 7.512 -1.666 1.00 0.00 C ATOM 265 C1' DT B 9 -3.946 7.014 -0.251 1.00 0.00 C ATOM 266 N1 DT B 9 -3.769 5.537 -0.267 1.00 0.00 N ATOM 267 C2 DT B 9 -2.529 4.991 0.065 1.00 0.00 C ATOM 268 O2 DT B 9 -1.538 5.676 0.311 1.00 0.00 O ATOM 269 N3 DT B 9 -2.446 3.603 0.029 1.00 0.00 N ATOM 270 C4 DT B 9 -3.470 2.724 -0.307 1.00 0.00 C ATOM 271 O4 DT B 9 -3.282 1.510 -0.262 1.00 0.00 O ATOM 272 C5 DT B 9 -4.721 3.379 -0.651 1.00 0.00 C ATOM 273 C7 DT B 9 -5.930 2.558 -1.055 1.00 0.00 C ATOM 274 C6 DT B 9 -4.823 4.729 -0.616 1.00 0.00 C ATOM 0 H5' DT B 9 -7.253 8.798 1.240 1.00 0.00 H new ATOM 0 H5'' DT B 9 -7.279 9.892 -0.129 1.00 0.00 H new ATOM 0 H4' DT B 9 -5.020 9.466 0.539 1.00 0.00 H new ATOM 0 H3' DT B 9 -5.880 8.765 -2.221 1.00 0.00 H new ATOM 0 H2' DT B 9 -4.709 6.756 -2.266 1.00 0.00 H new ATOM 0 H2'' DT B 9 -3.269 7.750 -2.176 1.00 0.00 H new ATOM 0 H1' DT B 9 -3.045 7.426 0.203 1.00 0.00 H new ATOM 0 H3 DT B 9 -1.546 3.189 0.273 1.00 0.00 H new ATOM 0 H71 DT B 9 -6.840 3.084 -0.766 1.00 0.00 H new ATOM 0 H72 DT B 9 -5.924 2.409 -2.135 1.00 0.00 H new ATOM 0 H73 DT B 9 -5.896 1.590 -0.555 1.00 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12 0.693 4.508 -9.102 1.00 0.00 H new ATOM 0 H6 DT B 12 4.217 4.026 -9.940 1.00 0.00 H new TER 382 DT B 12 ATOM 383 O5' DT C 13 -10.360 -0.475 -7.367 1.00 0.00 O ATOM 384 C5' DT C 13 -10.733 -1.796 -7.697 1.00 0.00 C ATOM 385 C4' DT C 13 -9.745 -2.813 -7.116 1.00 0.00 C ATOM 386 O4' DT C 13 -8.451 -2.608 -7.660 1.00 0.00 O ATOM 387 C3' DT C 13 -9.620 -2.723 -5.589 1.00 0.00 C ATOM 388 O3' DT C 13 -9.689 -4.035 -5.058 1.00 0.00 O ATOM 389 C2' DT C 13 -8.276 -2.059 -5.405 1.00 0.00 C ATOM 390 C1' DT C 13 -7.514 -2.628 -6.600 1.00 0.00 C ATOM 391 N1 DT C 13 -6.346 -1.780 -6.932 1.00 0.00 N ATOM 392 C2 DT C 13 -5.079 -2.357 -7.039 1.00 0.00 C ATOM 393 O2 DT C 13 -4.875 -3.560 -6.889 1.00 0.00 O ATOM 394 N3 DT C 13 -4.036 -1.488 -7.349 1.00 0.00 N ATOM 395 C4 DT C 13 -4.156 -0.115 -7.553 1.00 0.00 C ATOM 396 O4 DT C 13 -3.165 0.570 -7.791 1.00 0.00 O ATOM 397 C5 DT C 13 -5.510 0.395 -7.429 1.00 0.00 C ATOM 398 C7 DT C 13 -5.774 1.871 -7.631 1.00 0.00 C ATOM 399 C6 DT C 13 -6.536 -0.435 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H2' DC C 14 -5.854 -5.877 -1.741 1.00 0.00 H new ATOM 0 H2'' DC C 14 -4.847 -7.311 -1.717 1.00 0.00 H new ATOM 0 H1' DC C 14 -4.391 -7.216 -3.991 1.00 0.00 H new ATOM 0 H41 DC C 14 -3.484 -0.595 -4.168 1.00 0.00 H new ATOM 0 H42 DC C 14 -1.942 -1.340 -4.599 1.00 0.00 H new ATOM 0 H5 DC C 14 -5.458 -1.898 -3.609 1.00 0.00 H new ATOM 0 H6 DC C 14 -6.366 -4.153 -3.361 1.00 0.00 H new ATOM 443 P DT C 15 -6.306 -9.810 -0.971 1.00 0.00 P ATOM 444 OP1 DT C 15 -6.430 -11.267 -1.197 1.00 0.00 O ATOM 445 OP2 DT C 15 -7.124 -9.160 0.078 1.00 0.00 O ATOM 446 O5' DT C 15 -4.758 -9.477 -0.678 1.00 0.00 O ATOM 447 C5' DT C 15 -3.710 -10.099 -1.396 1.00 0.00 C ATOM 448 C4' DT C 15 -2.401 -9.329 -1.193 1.00 0.00 C ATOM 449 O4' DT C 15 -2.417 -8.077 -1.864 1.00 0.00 O ATOM 450 C3' DT C 15 -2.094 -9.004 0.273 1.00 0.00 C ATOM 451 O3' DT C 15 -1.392 -10.060 0.917 1.00 0.00 O ATOM 452 C2' DT C 15 -1.210 -7.788 0.085 1.00 0.00 C ATOM 453 C1' DT C 15 -1.337 -7.321 -1.348 1.00 0.00 C ATOM 454 N1 DT C 15 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1.00 0.00 H new ATOM 0 H73 DT C 15 -4.750 -2.704 -0.655 1.00 0.00 H new ATOM 0 H6 DT C 15 -3.534 -6.113 -0.434 1.00 0.00 H new ATOM 475 P DT C 16 -0.838 -9.953 2.444 1.00 0.00 P ATOM 476 OP1 DT C 16 -0.419 -11.308 2.863 1.00 0.00 O ATOM 477 OP2 DT C 16 -1.853 -9.229 3.243 1.00 0.00 O ATOM 478 O5' DT C 16 0.492 -9.022 2.384 1.00 0.00 O ATOM 479 C5' DT C 16 1.663 -9.415 1.684 1.00 0.00 C ATOM 480 C4' DT C 16 2.707 -8.284 1.673 1.00 0.00 C ATOM 481 O4' DT C 16 2.151 -7.091 1.166 1.00 0.00 O ATOM 482 C3' DT C 16 3.297 -7.972 3.054 1.00 0.00 C ATOM 483 O3' DT C 16 4.650 -8.406 3.026 1.00 0.00 O ATOM 484 C2' DT C 16 3.128 -6.455 3.212 1.00 0.00 C ATOM 485 C1' DT C 16 2.706 -5.967 1.827 1.00 0.00 C ATOM 486 N1 DT C 16 1.616 -4.955 1.849 1.00 0.00 N ATOM 487 C2 DT C 16 1.827 -3.699 1.297 1.00 0.00 C ATOM 488 O2 DT C 16 2.915 -3.345 0.857 1.00 0.00 O ATOM 489 N3 DT C 16 0.743 -2.828 1.331 1.00 0.00 N ATOM 490 C4 DT C 16 -0.524 -3.106 1.848 1.00 0.00 C ATOM 491 O4 DT C 16 -1.404 -2.249 1.805 1.00 0.00 O ATOM 492 C5 DT C 16 -0.655 -4.440 2.421 1.00 0.00 C ATOM 493 C7 DT C 16 -1.981 -4.908 3.022 1.00 0.00 C ATOM 494 C6 DT C 16 0.403 -5.289 2.389 1.00 0.00 C ATOM 0 H5' DT C 16 1.405 -9.686 0.660 1.00 0.00 H new ATOM 0 H5'' DT C 16 2.089 -10.303 2.151 1.00 0.00 H new ATOM 0 H4' DT C 16 3.510 -8.651 1.033 1.00 0.00 H new ATOM 0 H3' DT C 16 2.823 -8.469 3.901 1.00 0.00 H new ATOM 0 H2' DT C 16 2.375 -6.216 3.963 1.00 0.00 H new ATOM 0 H2'' DT C 16 4.057 -5.984 3.532 1.00 0.00 H new ATOM 0 H1' DT C 16 3.582 -5.520 1.357 1.00 0.00 H new ATOM 0 H3 DT C 16 0.887 -1.897 0.941 1.00 0.00 H new ATOM 0 H71 DT C 16 -2.072 -5.988 2.905 1.00 0.00 H new ATOM 0 H72 DT C 16 -2.010 -4.654 4.082 1.00 0.00 H new ATOM 0 H73 DT C 16 -2.807 -4.416 2.508 1.00 0.00 H new ATOM 0 H6 DT C 16 0.282 -6.276 2.810 1.00 0.00 H new ATOM 507 P DC C 17 5.628 -8.358 4.310 1.00 0.00 P ATOM 508 OP1 DC C 17 6.749 -9.294 4.067 1.00 0.00 O ATOM 509 OP2 DC C 17 4.803 -8.502 5.531 1.00 0.00 O ATOM 510 O5' DC C 17 6.213 -6.856 4.236 1.00 0.00 O ATOM 511 C5' DC C 17 6.259 -6.029 5.377 1.00 0.00 C ATOM 512 C4' DC C 17 6.662 -4.605 4.983 1.00 0.00 C ATOM 513 O4' DC C 17 5.682 -4.033 4.123 1.00 0.00 O ATOM 514 C3' DC C 17 6.767 -3.758 6.254 1.00 0.00 C ATOM 515 O3' DC C 17 8.104 -3.322 6.440 1.00 0.00 O ATOM 516 C2' DC C 17 5.795 -2.632 5.986 1.00 0.00 C ATOM 517 C1' DC C 17 5.385 -2.706 4.524 1.00 0.00 C ATOM 518 N1 DC C 17 3.917 -2.471 4.551 1.00 0.00 N ATOM 519 C2 DC C 17 3.364 -1.273 4.113 1.00 0.00 C ATOM 520 O2 DC C 17 4.082 -0.354 3.733 1.00 0.00 O ATOM 521 N3 DC C 17 2.004 -1.131 4.181 1.00 0.00 N ATOM 522 C4 DC C 17 1.207 -2.107 4.657 1.00 0.00 C ATOM 523 N4 DC C 17 -0.116 -1.895 4.701 1.00 0.00 N ATOM 524 C5 DC C 17 1.782 -3.344 5.121 1.00 0.00 C ATOM 525 C6 DC C 17 3.110 -3.456 5.039 1.00 0.00 C ATOM 0 H5' DC C 17 6.972 -6.430 6.097 1.00 0.00 H new ATOM 0 H5'' DC C 17 5.285 -6.017 5.866 1.00 0.00 H new ATOM 0 H4' DC C 17 7.618 -4.632 4.460 1.00 0.00 H new ATOM 0 H3' DC C 17 6.524 -4.284 7.177 1.00 0.00 H new ATOM 0 H2' DC C 17 4.922 -2.720 6.632 1.00 0.00 H new ATOM 0 H2'' DC C 17 6.257 -1.669 6.204 1.00 0.00 H new ATOM 0 H1' DC C 17 5.875 -2.002 3.851 1.00 0.00 H new ATOM 0 H41 DC C 17 -0.737 -2.621 5.058 1.00 0.00 H new ATOM 0 H42 DC C 17 -0.501 -1.008 4.378 1.00 0.00 H new ATOM 0 H5 DC C 17 1.169 -4.141 5.516 1.00 0.00 H new ATOM 0 H6 DC C 17 3.569 -4.374 5.376 1.00 0.00 H new ATOM 537 P DT C 18 8.640 -2.727 7.847 1.00 0.00 P ATOM 538 OP1 DT C 18 10.114 -2.624 7.763 1.00 0.00 O ATOM 539 OP2 DT C 18 8.027 -3.506 8.946 1.00 0.00 O ATOM 540 O5' DT C 18 8.037 -1.233 7.901 1.00 0.00 O ATOM 541 C5' DT C 18 8.534 -0.198 7.074 1.00 0.00 C ATOM 542 C4' DT C 18 7.734 1.084 7.317 1.00 0.00 C ATOM 543 O4' DT C 18 6.382 0.874 6.938 1.00 0.00 O ATOM 544 C3' DT C 18 7.739 1.499 8.798 1.00 0.00 C ATOM 545 O3' DT C 18 7.944 2.892 8.913 1.00 0.00 O ATOM 546 C2' DT C 18 6.326 1.147 9.251 1.00 0.00 C ATOM 547 C1' DT C 18 5.561 1.407 7.954 1.00 0.00 C ATOM 548 N1 DT C 18 4.183 0.834 7.904 1.00 0.00 N ATOM 549 C2 DT C 18 3.153 1.666 7.455 1.00 0.00 C ATOM 550 O2 DT C 18 3.333 2.832 7.113 1.00 0.00 O ATOM 551 N3 DT C 18 1.880 1.115 7.420 1.00 0.00 N ATOM 552 C4 DT C 18 1.539 -0.180 7.791 1.00 0.00 C ATOM 553 O4 DT C 18 0.374 -0.559 7.712 1.00 0.00 O ATOM 554 C5 DT C 18 2.659 -0.984 8.247 1.00 0.00 C ATOM 555 C7 DT C 18 2.402 -2.415 8.688 1.00 0.00 C ATOM 556 C6 DT C 18 3.917 -0.465 8.288 1.00 0.00 C ATOM 0 H5' DT C 18 8.462 -0.490 6.026 1.00 0.00 H new ATOM 0 H5'' DT C 18 9.589 -0.025 7.285 1.00 0.00 H new ATOM 0 H4' DT C 18 8.203 1.871 6.726 1.00 0.00 H new ATOM 0 H3' DT C 18 8.522 1.015 9.381 1.00 0.00 H new ATOM 0 H2' DT C 18 6.241 0.113 9.585 1.00 0.00 H new ATOM 0 H2'' DT C 18 5.982 1.777 10.071 1.00 0.00 H new ATOM 0 HO3' DT C 18 7.944 3.146 9.860 1.00 0.00 H new ATOM 0 H1' DT C 18 5.378 2.476 7.845 1.00 0.00 H new ATOM 0 H3 DT C 18 1.124 1.716 7.091 1.00 0.00 H new ATOM 0 H71 DT C 18 3.286 -3.021 8.490 1.00 0.00 H new ATOM 0 H72 DT C 18 2.182 -2.433 9.755 1.00 0.00 H new ATOM 0 H73 DT C 18 1.553 -2.819 8.136 1.00 0.00 H new ATOM 0 H6 DT C 18 4.730 -1.088 8.631 1.00 0.00 H new TER 570 DT C 18