USER MOD reduce.3.24.130724 H: found=0, std=0, add=140, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 138 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 -13:sc= 0.27 USER MOD Single : A 4 DT C7 :methyl -30:sc= -3.79! (180deg=-5.78!) USER MOD Single : A 6 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 -11:sc= 0.213 USER MOD Single : B 4 DT C7 :methyl -30:sc= -3.46! (180deg=-5.75!) USER MOD Single : B 6 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 0.369 -6.947 -3.362 1.00 0.00 O ATOM 2 C5' DT A 1 1.656 -7.582 -3.341 1.00 0.00 C ATOM 3 C4' DT A 1 2.671 -6.925 -2.370 1.00 0.00 C ATOM 4 O4' DT A 1 2.302 -5.567 -2.099 1.00 0.00 O ATOM 5 C3' DT A 1 2.950 -7.698 -1.071 1.00 0.00 C ATOM 6 O3' DT A 1 4.384 -7.652 -0.791 1.00 0.00 O ATOM 7 C2' DT A 1 2.130 -6.842 -0.149 1.00 0.00 C ATOM 8 C1' DT A 1 2.196 -5.419 -0.697 1.00 0.00 C ATOM 9 N1 DT A 1 1.073 -4.504 -0.420 1.00 0.00 N ATOM 10 C2 DT A 1 1.320 -3.155 -0.270 1.00 0.00 C ATOM 11 O2 DT A 1 2.434 -2.664 -0.222 1.00 0.00 O ATOM 12 N3 DT A 1 0.197 -2.352 -0.230 1.00 0.00 N ATOM 13 C4 DT A 1 -1.112 -2.765 -0.320 1.00 0.00 C ATOM 14 O4 DT A 1 -2.046 -1.982 -0.290 1.00 0.00 O ATOM 15 C5 DT A 1 -1.273 -4.191 -0.470 1.00 0.00 C ATOM 16 C7 DT A 1 -2.572 -4.906 -0.722 1.00 0.00 C ATOM 17 C6 DT A 1 -0.201 -5.006 -0.520 1.00 0.00 C ATOM 0 H5' DT A 1 2.072 -7.568 -4.348 1.00 0.00 H new ATOM 0 H5'' DT A 1 1.528 -8.628 -3.063 1.00 0.00 H new ATOM 0 H4' DT A 1 3.622 -6.952 -2.901 1.00 0.00 H new ATOM 0 H3' DT A 1 2.706 -8.760 -1.033 1.00 0.00 H new ATOM 0 H2' DT A 1 1.099 -7.194 -0.109 1.00 0.00 H new ATOM 0 H2'' DT A 1 2.521 -6.884 0.868 1.00 0.00 H new ATOM 0 HO5' DT A 1 0.297 -6.329 -2.605 1.00 0.00 H new ATOM 0 H1' DT A 1 3.033 -4.941 -0.187 1.00 0.00 H new ATOM 0 H3 DT A 1 0.354 -1.350 -0.123 1.00 0.00 H new ATOM 0 H71 DT A 1 -2.383 -5.813 -1.296 1.00 0.00 H new ATOM 0 H72 DT A 1 -3.033 -5.169 0.230 1.00 0.00 H new ATOM 0 H73 DT A 1 -3.243 -4.255 -1.283 1.00 0.00 H new ATOM 0 H6 DT A 1 -0.346 -6.069 -0.640 1.00 0.00 H new ATOM 30 P DG A 2 4.931 -8.194 0.649 1.00 0.00 P ATOM 31 OP1 DG A 2 6.219 -8.908 0.512 1.00 0.00 O ATOM 32 OP2 DG A 2 3.941 -9.044 1.346 1.00 0.00 O ATOM 33 O5' DG A 2 5.099 -6.719 1.353 1.00 0.00 O ATOM 34 C5' DG A 2 6.226 -5.921 0.895 1.00 0.00 C ATOM 35 C4' DG A 2 6.366 -4.505 1.498 1.00 0.00 C ATOM 36 O4' DG A 2 5.174 -3.715 1.442 1.00 0.00 O ATOM 37 C3' DG A 2 6.796 -4.606 2.957 1.00 0.00 C ATOM 38 O3' DG A 2 8.071 -3.942 3.158 1.00 0.00 O ATOM 39 C2' DG A 2 5.619 -4.082 3.744 1.00 0.00 C ATOM 40 C1' DG A 2 4.941 -3.176 2.748 1.00 0.00 C ATOM 41 N9 DG A 2 3.515 -3.013 2.960 1.00 0.00 N ATOM 42 C8 DG A 2 2.611 -4.052 2.880 1.00 0.00 C ATOM 43 N7 DG A 2 1.360 -3.677 2.960 1.00 0.00 N ATOM 44 C5 DG A 2 1.431 -2.290 3.100 1.00 0.00 C ATOM 45 C6 DG A 2 0.399 -1.331 3.230 1.00 0.00 C ATOM 46 O6 DG A 2 -0.791 -1.589 3.224 1.00 0.00 O ATOM 47 N1 DG A 2 0.919 -0.031 3.350 1.00 0.00 N ATOM 48 C2 DG A 2 2.262 0.290 3.350 1.00 0.00 C ATOM 49 N2 DG A 2 2.601 1.624 3.436 1.00 0.00 N ATOM 50 N3 DG A 2 3.233 -0.611 3.220 1.00 0.00 N ATOM 51 C4 DG A 2 2.751 -1.877 3.100 1.00 0.00 C ATOM 0 H5' DG A 2 6.156 -5.824 -0.188 1.00 0.00 H new ATOM 0 H5'' DG A 2 7.142 -6.473 1.107 1.00 0.00 H new ATOM 0 H4' DG A 2 7.113 -4.003 0.883 1.00 0.00 H new ATOM 0 H3' DG A 2 7.009 -5.618 3.302 1.00 0.00 H new ATOM 0 H2' DG A 2 4.962 -4.886 4.075 1.00 0.00 H new ATOM 0 H2'' DG A 2 5.935 -3.541 4.636 1.00 0.00 H new ATOM 0 H1' DG A 2 5.367 -2.180 2.869 1.00 0.00 H new ATOM 0 H8 DG A 2 2.909 -5.083 2.762 1.00 0.00 H new ATOM 0 H1 DG A 2 0.252 0.735 3.444 1.00 0.00 H new ATOM 0 H21 DG A 2 3.582 1.902 3.439 1.00 0.00 H new ATOM 0 H22 DG A 2 1.870 2.333 3.497 1.00 0.00 H new ATOM 63 P DA A 3 8.703 -3.902 4.660 1.00 0.00 P ATOM 64 OP1 DA A 3 10.175 -3.759 4.624 1.00 0.00 O ATOM 65 OP2 DA A 3 8.317 -5.080 5.468 1.00 0.00 O ATOM 66 O5' DA A 3 7.967 -2.534 5.176 1.00 0.00 O ATOM 67 C5' DA A 3 8.340 -1.324 4.474 1.00 0.00 C ATOM 68 C4' DA A 3 7.780 -0.012 4.950 1.00 0.00 C ATOM 69 O4' DA A 3 6.366 0.067 4.809 1.00 0.00 O ATOM 70 C3' DA A 3 8.249 0.241 6.367 1.00 0.00 C ATOM 71 O3' DA A 3 8.866 1.553 6.476 1.00 0.00 O ATOM 72 C2' DA A 3 6.969 0.021 7.079 1.00 0.00 C ATOM 73 C1' DA A 3 5.876 0.356 6.098 1.00 0.00 C ATOM 74 N9 DA A 3 4.615 -0.371 6.340 1.00 0.00 N ATOM 75 C8 DA A 3 4.519 -1.735 6.260 1.00 0.00 C ATOM 76 N7 DA A 3 3.298 -2.174 6.330 1.00 0.00 N ATOM 77 C5 DA A 3 2.540 -1.026 6.480 1.00 0.00 C ATOM 78 C6 DA A 3 1.152 -0.813 6.610 1.00 0.00 C ATOM 79 N6 DA A 3 0.280 -1.836 6.615 1.00 0.00 N ATOM 80 N1 DA A 3 0.730 0.454 6.730 1.00 0.00 N ATOM 81 C2 DA A 3 1.628 1.435 6.720 1.00 0.00 C ATOM 82 N3 DA A 3 2.936 1.369 6.600 1.00 0.00 N ATOM 83 C4 DA A 3 3.329 0.087 6.480 1.00 0.00 C ATOM 0 H5' DA A 3 8.054 -1.446 3.429 1.00 0.00 H new ATOM 0 H5'' DA A 3 9.427 -1.248 4.500 1.00 0.00 H new ATOM 0 H4' DA A 3 8.162 0.785 4.312 1.00 0.00 H new ATOM 0 H3' DA A 3 9.046 -0.383 6.771 1.00 0.00 H new ATOM 0 H2' DA A 3 6.885 -1.012 7.417 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.903 0.653 7.965 1.00 0.00 H new ATOM 0 H1' DA A 3 5.625 1.411 6.212 1.00 0.00 H new ATOM 0 H8 DA A 3 5.376 -2.383 6.149 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.719 -1.654 6.710 1.00 0.00 H new ATOM 0 H62 DA A 3 0.617 -2.794 6.523 1.00 0.00 H new ATOM 0 H2 DA A 3 1.224 2.431 6.826 1.00 0.00 H new ATOM 95 P DT A 4 9.397 2.054 7.933 1.00 0.00 P ATOM 96 OP1 DT A 4 10.538 2.987 7.806 1.00 0.00 O ATOM 97 OP2 DT A 4 9.743 0.929 8.829 1.00 0.00 O ATOM 98 O5' DT A 4 8.033 2.816 8.410 1.00 0.00 O ATOM 99 C5' DT A 4 7.621 3.978 7.644 1.00 0.00 C ATOM 100 C4' DT A 4 6.313 4.588 8.155 1.00 0.00 C ATOM 101 O4' DT A 4 5.245 3.627 8.059 1.00 0.00 O ATOM 102 C3' DT A 4 6.395 5.196 9.553 1.00 0.00 C ATOM 103 O3' DT A 4 5.918 6.573 9.524 1.00 0.00 O ATOM 104 C2' DT A 4 5.496 4.241 10.271 1.00 0.00 C ATOM 105 C1' DT A 4 4.519 3.699 9.276 1.00 0.00 C ATOM 106 N1 DT A 4 3.952 2.412 9.720 1.00 0.00 N ATOM 107 C2 DT A 4 2.593 2.230 9.870 1.00 0.00 C ATOM 108 O2 DT A 4 1.784 3.140 9.913 1.00 0.00 O ATOM 109 N3 DT A 4 2.176 0.915 9.910 1.00 0.00 N ATOM 110 C4 DT A 4 2.973 -0.203 9.820 1.00 0.00 C ATOM 111 O4 DT A 4 2.525 -1.334 9.869 1.00 0.00 O ATOM 112 C5 DT A 4 4.379 0.084 9.670 1.00 0.00 C ATOM 113 C7 DT A 4 5.404 -1.007 9.656 1.00 0.00 C ATOM 114 C6 DT A 4 4.823 1.356 9.620 1.00 0.00 C ATOM 0 H5' DT A 4 7.501 3.695 6.598 1.00 0.00 H new ATOM 0 H5'' DT A 4 8.408 4.731 7.682 1.00 0.00 H new ATOM 0 H4' DT A 4 6.102 5.435 7.502 1.00 0.00 H new ATOM 0 H3' DT A 4 7.380 5.289 10.010 1.00 0.00 H new ATOM 0 H2' DT A 4 6.075 3.433 10.717 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.974 4.745 11.084 1.00 0.00 H new ATOM 0 H1' DT A 4 3.640 4.331 9.154 1.00 0.00 H new ATOM 0 H3 DT A 4 1.174 0.756 10.017 1.00 0.00 H new ATOM 0 H71 DT A 4 5.056 -1.841 10.266 1.00 0.00 H new ATOM 0 H72 DT A 4 5.560 -1.347 8.632 1.00 0.00 H new ATOM 0 H73 DT A 4 6.343 -0.629 10.059 1.00 0.00 H new ATOM 0 H6 DT A 4 5.879 1.547 9.500 1.00 0.00 H new ATOM 127 P DC A 5 6.160 7.492 10.845 1.00 0.00 P ATOM 128 OP1 DC A 5 6.323 8.923 10.502 1.00 0.00 O ATOM 129 OP2 DC A 5 7.294 7.027 11.673 1.00 0.00 O ATOM 130 O5' DC A 5 4.721 7.176 11.539 1.00 0.00 O ATOM 131 C5' DC A 5 3.562 7.870 11.007 1.00 0.00 C ATOM 132 C4' DC A 5 2.321 7.613 11.892 1.00 0.00 C ATOM 133 O4' DC A 5 1.827 6.262 11.753 1.00 0.00 O ATOM 134 C3' DC A 5 2.554 7.983 13.362 1.00 0.00 C ATOM 135 O3' DC A 5 1.524 8.892 13.858 1.00 0.00 O ATOM 136 C2' DC A 5 2.470 6.595 13.940 1.00 0.00 C ATOM 137 C1' DC A 5 1.549 5.742 13.052 1.00 0.00 C ATOM 138 N1 DC A 5 1.779 4.274 13.100 1.00 0.00 N ATOM 139 C2 DC A 5 0.788 3.307 13.250 1.00 0.00 C ATOM 140 O2 DC A 5 -0.397 3.604 13.303 1.00 0.00 O ATOM 141 N3 DC A 5 1.152 2.003 13.300 1.00 0.00 N ATOM 142 C4 DC A 5 2.437 1.644 13.200 1.00 0.00 C ATOM 143 N4 DC A 5 2.799 0.289 13.269 1.00 0.00 N ATOM 144 C5 DC A 5 3.474 2.618 13.050 1.00 0.00 C ATOM 145 C6 DC A 5 3.086 3.921 13.000 1.00 0.00 C ATOM 0 H5' DC A 5 3.365 7.534 9.989 1.00 0.00 H new ATOM 0 H5'' DC A 5 3.764 8.940 10.956 1.00 0.00 H new ATOM 0 H4' DC A 5 1.543 8.282 11.524 1.00 0.00 H new ATOM 0 H3' DC A 5 3.470 8.525 13.598 1.00 0.00 H new ATOM 0 H2' DC A 5 3.463 6.148 13.993 1.00 0.00 H new ATOM 0 H2'' DC A 5 2.083 6.633 14.958 1.00 0.00 H new ATOM 0 H1' DC A 5 0.512 5.817 13.381 1.00 0.00 H new ATOM 0 H41 DC A 5 3.779 0.019 13.192 1.00 0.00 H new ATOM 0 H42 DC A 5 2.081 -0.425 13.396 1.00 0.00 H new ATOM 0 H5 DC A 5 4.513 2.333 12.980 1.00 0.00 H new ATOM 0 H6 DC A 5 3.834 4.691 12.878 1.00 0.00 H new ATOM 157 P DA A 6 1.521 9.295 15.449 1.00 0.00 P ATOM 158 OP1 DA A 6 1.165 10.715 15.662 1.00 0.00 O ATOM 159 OP2 DA A 6 2.794 8.975 16.132 1.00 0.00 O ATOM 160 O5' DA A 6 0.315 8.292 15.921 1.00 0.00 O ATOM 161 C5' DA A 6 -0.985 8.548 15.338 1.00 0.00 C ATOM 162 C4' DA A 6 -2.158 7.741 15.939 1.00 0.00 C ATOM 163 O4' DA A 6 -2.122 6.369 15.517 1.00 0.00 O ATOM 164 C3' DA A 6 -2.313 7.799 17.460 1.00 0.00 C ATOM 165 O3' DA A 6 -3.648 8.093 17.897 1.00 0.00 O ATOM 166 C2' DA A 6 -1.931 6.402 17.878 1.00 0.00 C ATOM 167 C1' DA A 6 -2.136 5.506 16.657 1.00 0.00 C ATOM 168 N9 DA A 6 -1.073 4.504 16.480 1.00 0.00 N ATOM 169 C8 DA A 6 0.253 4.833 16.400 1.00 0.00 C ATOM 170 N7 DA A 6 1.049 3.808 16.470 1.00 0.00 N ATOM 171 C5 DA A 6 0.191 2.733 16.620 1.00 0.00 C ATOM 172 C6 DA A 6 0.417 1.347 16.750 1.00 0.00 C ATOM 173 N6 DA A 6 1.654 0.823 16.731 1.00 0.00 N ATOM 174 N1 DA A 6 -0.658 0.554 16.870 1.00 0.00 N ATOM 175 C2 DA A 6 -1.868 1.105 16.860 1.00 0.00 C ATOM 176 N3 DA A 6 -2.210 2.370 16.740 1.00 0.00 N ATOM 177 C4 DA A 6 -1.112 3.139 16.620 1.00 0.00 C ATOM 0 H5' DA A 6 -0.932 8.337 14.270 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.207 9.610 15.442 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.035 8.249 15.539 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.709 8.596 17.893 1.00 0.00 H new ATOM 0 H2' DA A 6 -0.894 6.368 18.213 1.00 0.00 H new ATOM 0 H2'' DA A 6 -2.547 6.066 18.712 1.00 0.00 H new ATOM 0 HO3' DA A 6 -3.675 8.113 18.876 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.069 4.958 16.785 1.00 0.00 H new ATOM 0 H8 DA A 6 0.605 5.848 16.289 1.00 0.00 H new ATOM 0 H61 DA A 6 1.783 -0.184 16.828 1.00 0.00 H new ATOM 0 H62 DA A 6 2.464 1.432 16.620 1.00 0.00 H new ATOM 0 H2 DA A 6 -2.690 0.413 16.966 1.00 0.00 H new TER 190 DA A 6 ATOM 191 O5' DT B 1 -1.580 -6.574 21.411 1.00 0.00 O ATOM 192 C5' DT B 1 -2.258 -7.499 20.550 1.00 0.00 C ATOM 193 C4' DT B 1 -2.934 -6.807 19.335 1.00 0.00 C ATOM 194 O4' DT B 1 -2.281 -5.561 19.027 1.00 0.00 O ATOM 195 C3' DT B 1 -3.073 -7.647 18.039 1.00 0.00 C ATOM 196 O3' DT B 1 -4.489 -7.671 17.681 1.00 0.00 O ATOM 197 C2' DT B 1 -2.203 -6.830 17.108 1.00 0.00 C ATOM 198 C1' DT B 1 -2.210 -5.398 17.620 1.00 0.00 C ATOM 199 N1 DT B 1 -1.073 -4.504 17.320 1.00 0.00 N ATOM 200 C2 DT B 1 -1.320 -3.155 17.170 1.00 0.00 C ATOM 201 O2 DT B 1 -2.432 -2.659 17.123 1.00 0.00 O ATOM 202 N3 DT B 1 -0.197 -2.352 17.130 1.00 0.00 N ATOM 203 C4 DT B 1 1.112 -2.765 17.220 1.00 0.00 C ATOM 204 O4 DT B 1 2.051 -1.991 17.182 1.00 0.00 O ATOM 205 C5 DT B 1 1.273 -4.191 17.370 1.00 0.00 C ATOM 206 C7 DT B 1 2.582 -4.920 17.510 1.00 0.00 C ATOM 207 C6 DT B 1 0.201 -5.006 17.420 1.00 0.00 C ATOM 0 H5' DT B 1 -3.014 -8.035 21.124 1.00 0.00 H new ATOM 0 H5'' DT B 1 -1.546 -8.241 20.189 1.00 0.00 H new ATOM 0 H4' DT B 1 -3.957 -6.651 19.677 1.00 0.00 H new ATOM 0 H3' DT B 1 -2.773 -8.695 18.063 1.00 0.00 H new ATOM 0 H2' DT B 1 -1.187 -7.225 17.086 1.00 0.00 H new ATOM 0 H2'' DT B 1 -2.584 -6.875 16.088 1.00 0.00 H new ATOM 0 HO5' DT B 1 -1.519 -5.701 20.970 1.00 0.00 H new ATOM 0 H1' DT B 1 -3.027 -4.889 17.110 1.00 0.00 H new ATOM 0 H3 DT B 1 -0.354 -1.350 17.023 1.00 0.00 H new ATOM 0 H71 DT B 1 2.436 -5.819 18.109 1.00 0.00 H new ATOM 0 H72 DT B 1 2.951 -5.198 16.523 1.00 0.00 H new ATOM 0 H73 DT B 1 3.309 -4.272 18.000 1.00 0.00 H new ATOM 0 H6 DT B 1 0.346 -6.069 17.540 1.00 0.00 H new ATOM 220 P DG B 2 -4.944 -8.218 16.211 1.00 0.00 P ATOM 221 OP1 DG B 2 -6.224 -8.956 16.275 1.00 0.00 O ATOM 222 OP2 DG B 2 -3.900 -9.050 15.572 1.00 0.00 O ATOM 223 O5' DG B 2 -5.102 -6.746 15.494 1.00 0.00 O ATOM 224 C5' DG B 2 -6.261 -5.963 15.896 1.00 0.00 C ATOM 225 C4' DG B 2 -6.404 -4.554 15.277 1.00 0.00 C ATOM 226 O4' DG B 2 -5.230 -3.742 15.386 1.00 0.00 O ATOM 227 C3' DG B 2 -6.765 -4.672 13.800 1.00 0.00 C ATOM 228 O3' DG B 2 -8.054 -4.063 13.526 1.00 0.00 O ATOM 229 C2' DG B 2 -5.569 -4.110 13.070 1.00 0.00 C ATOM 230 C1' DG B 2 -4.949 -3.192 14.094 1.00 0.00 C ATOM 231 N9 DG B 2 -3.515 -3.013 13.940 1.00 0.00 N ATOM 232 C8 DG B 2 -2.611 -4.052 14.020 1.00 0.00 C ATOM 233 N7 DG B 2 -1.360 -3.677 13.940 1.00 0.00 N ATOM 234 C5 DG B 2 -1.431 -2.290 13.800 1.00 0.00 C ATOM 235 C6 DG B 2 -0.399 -1.331 13.670 1.00 0.00 C ATOM 236 O6 DG B 2 0.792 -1.589 13.677 1.00 0.00 O ATOM 237 N1 DG B 2 -0.919 -0.031 13.550 1.00 0.00 N ATOM 238 C2 DG B 2 -2.262 0.290 13.550 1.00 0.00 C ATOM 239 N2 DG B 2 -2.600 1.626 13.495 1.00 0.00 N ATOM 240 N3 DG B 2 -3.233 -0.611 13.680 1.00 0.00 N ATOM 241 C4 DG B 2 -2.751 -1.877 13.800 1.00 0.00 C ATOM 0 H5' DG B 2 -6.238 -5.856 16.980 1.00 0.00 H new ATOM 0 H5'' DG B 2 -7.157 -6.533 15.651 1.00 0.00 H new ATOM 0 H4' DG B 2 -7.191 -4.063 15.850 1.00 0.00 H new ATOM 0 H3' DG B 2 -6.930 -5.692 13.452 1.00 0.00 H new ATOM 0 H2' DG B 2 -4.879 -4.895 12.761 1.00 0.00 H new ATOM 0 H2'' DG B 2 -5.862 -3.571 12.169 1.00 0.00 H new ATOM 0 H1' DG B 2 -5.382 -2.201 13.960 1.00 0.00 H new ATOM 0 H8 DG B 2 -2.909 -5.083 14.138 1.00 0.00 H new ATOM 0 H1 DG B 2 -0.252 0.735 13.456 1.00 0.00 H new ATOM 0 H21 DG B 2 -3.581 1.904 13.493 1.00 0.00 H new ATOM 0 H22 DG B 2 -1.869 2.336 13.456 1.00 0.00 H new ATOM 253 P DA B 3 -8.578 -4.007 11.982 1.00 0.00 P ATOM 254 OP1 DA B 3 -10.054 -3.941 11.912 1.00 0.00 O ATOM 255 OP2 DA B 3 -8.072 -5.135 11.170 1.00 0.00 O ATOM 256 O5' DA B 3 -7.881 -2.586 11.562 1.00 0.00 O ATOM 257 C5' DA B 3 -8.336 -1.423 12.293 1.00 0.00 C ATOM 258 C4' DA B 3 -7.804 -0.068 11.908 1.00 0.00 C ATOM 259 O4' DA B 3 -6.394 0.050 12.075 1.00 0.00 O ATOM 260 C3' DA B 3 -8.251 0.243 10.496 1.00 0.00 C ATOM 261 O3' DA B 3 -8.833 1.573 10.425 1.00 0.00 O ATOM 262 C2' DA B 3 -6.964 0.028 9.797 1.00 0.00 C ATOM 263 C1' DA B 3 -5.884 0.351 10.794 1.00 0.00 C ATOM 264 N9 DA B 3 -4.615 -0.371 10.560 1.00 0.00 N ATOM 265 C8 DA B 3 -4.519 -1.735 10.640 1.00 0.00 C ATOM 266 N7 DA B 3 -3.298 -2.174 10.570 1.00 0.00 N ATOM 267 C5 DA B 3 -2.540 -1.026 10.420 1.00 0.00 C ATOM 268 C6 DA B 3 -1.152 -0.813 10.290 1.00 0.00 C ATOM 269 N6 DA B 3 -0.280 -1.836 10.282 1.00 0.00 N ATOM 270 N1 DA B 3 -0.730 0.454 10.170 1.00 0.00 N ATOM 271 C2 DA B 3 -1.628 1.435 10.180 1.00 0.00 C ATOM 272 N3 DA B 3 -2.936 1.369 10.300 1.00 0.00 N ATOM 273 C4 DA B 3 -3.329 0.087 10.420 1.00 0.00 C ATOM 0 H5' DA B 3 -8.101 -1.582 13.345 1.00 0.00 H new ATOM 0 H5'' DA B 3 -9.422 -1.386 12.211 1.00 0.00 H new ATOM 0 H4' DA B 3 -8.218 0.675 12.589 1.00 0.00 H new ATOM 0 H3' DA B 3 -9.056 -0.351 10.062 1.00 0.00 H new ATOM 0 H2' DA B 3 -6.877 -1.001 9.449 1.00 0.00 H new ATOM 0 H2'' DA B 3 -6.887 0.669 8.918 1.00 0.00 H new ATOM 0 H1' DA B 3 -5.630 1.406 10.694 1.00 0.00 H new ATOM 0 H8 DA B 3 -5.376 -2.383 10.751 1.00 0.00 H new ATOM 0 H61 DA B 3 0.719 -1.654 10.187 1.00 0.00 H new ATOM 0 H62 DA B 3 -0.617 -2.794 10.371 1.00 0.00 H new ATOM 0 H2 DA B 3 -1.224 2.431 10.074 1.00 0.00 H new ATOM 285 P DT B 4 -9.414 2.099 8.997 1.00 0.00 P ATOM 286 OP1 DT B 4 -10.534 3.049 9.181 1.00 0.00 O ATOM 287 OP2 DT B 4 -9.817 0.991 8.104 1.00 0.00 O ATOM 288 O5' DT B 4 -8.058 2.844 8.474 1.00 0.00 O ATOM 289 C5' DT B 4 -7.627 4.019 9.211 1.00 0.00 C ATOM 290 C4' DT B 4 -6.331 4.624 8.661 1.00 0.00 C ATOM 291 O4' DT B 4 -5.262 3.669 8.791 1.00 0.00 O ATOM 292 C3' DT B 4 -6.421 5.175 7.236 1.00 0.00 C ATOM 293 O3' DT B 4 -5.997 6.568 7.190 1.00 0.00 O ATOM 294 C2' DT B 4 -5.486 4.224 6.560 1.00 0.00 C ATOM 295 C1' DT B 4 -4.521 3.710 7.582 1.00 0.00 C ATOM 296 N1 DT B 4 -3.952 2.412 7.180 1.00 0.00 N ATOM 297 C2 DT B 4 -2.593 2.230 7.030 1.00 0.00 C ATOM 298 O2 DT B 4 -1.784 3.139 6.985 1.00 0.00 O ATOM 299 N3 DT B 4 -2.176 0.915 6.990 1.00 0.00 N ATOM 300 C4 DT B 4 -2.973 -0.203 7.080 1.00 0.00 C ATOM 301 O4 DT B 4 -2.525 -1.334 7.031 1.00 0.00 O ATOM 302 C5 DT B 4 -4.379 0.084 7.230 1.00 0.00 C ATOM 303 C7 DT B 4 -5.405 -1.006 7.218 1.00 0.00 C ATOM 304 C6 DT B 4 -4.823 1.356 7.280 1.00 0.00 C ATOM 0 H5' DT B 4 -7.482 3.752 10.258 1.00 0.00 H new ATOM 0 H5'' DT B 4 -8.415 4.771 9.180 1.00 0.00 H new ATOM 0 H4' DT B 4 -6.127 5.505 9.269 1.00 0.00 H new ATOM 0 H3' DT B 4 -7.411 5.215 6.782 1.00 0.00 H new ATOM 0 H2' DT B 4 -6.041 3.399 6.113 1.00 0.00 H new ATOM 0 H2'' DT B 4 -4.953 4.725 5.752 1.00 0.00 H new ATOM 0 H1' DT B 4 -3.644 4.346 7.698 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.174 0.756 6.883 1.00 0.00 H new ATOM 0 H71 DT B 4 -5.056 -1.828 6.593 1.00 0.00 H new ATOM 0 H72 DT B 4 -5.565 -1.366 8.234 1.00 0.00 H new ATOM 0 H73 DT B 4 -6.342 -0.619 6.818 1.00 0.00 H new ATOM 0 H6 DT B 4 -5.879 1.547 7.400 1.00 0.00 H new ATOM 317 P DC B 5 -6.207 7.383 5.791 1.00 0.00 P ATOM 318 OP1 DC B 5 -6.469 8.821 6.024 1.00 0.00 O ATOM 319 OP2 DC B 5 -7.264 6.798 4.937 1.00 0.00 O ATOM 320 O5' DC B 5 -4.717 7.117 5.182 1.00 0.00 O ATOM 321 C5' DC B 5 -3.613 7.836 5.791 1.00 0.00 C ATOM 322 C4' DC B 5 -2.291 7.569 5.034 1.00 0.00 C ATOM 323 O4' DC B 5 -1.865 6.205 5.193 1.00 0.00 O ATOM 324 C3' DC B 5 -2.318 7.976 3.553 1.00 0.00 C ATOM 325 O3' DC B 5 -1.180 8.836 3.233 1.00 0.00 O ATOM 326 C2' DC B 5 -2.213 6.609 2.929 1.00 0.00 C ATOM 327 C1' DC B 5 -1.482 5.710 3.915 1.00 0.00 C ATOM 328 N1 DC B 5 -1.779 4.274 3.800 1.00 0.00 N ATOM 329 C2 DC B 5 -0.788 3.307 3.650 1.00 0.00 C ATOM 330 O2 DC B 5 0.398 3.600 3.568 1.00 0.00 O ATOM 331 N3 DC B 5 -1.152 2.003 3.600 1.00 0.00 N ATOM 332 C4 DC B 5 -2.437 1.644 3.700 1.00 0.00 C ATOM 333 N4 DC B 5 -2.798 0.288 3.644 1.00 0.00 N ATOM 334 C5 DC B 5 -3.474 2.618 3.850 1.00 0.00 C ATOM 335 C6 DC B 5 -3.086 3.921 3.900 1.00 0.00 C ATOM 0 H5' DC B 5 -3.507 7.532 6.832 1.00 0.00 H new ATOM 0 H5'' DC B 5 -3.827 8.905 5.791 1.00 0.00 H new ATOM 0 H4' DC B 5 -1.554 8.223 5.500 1.00 0.00 H new ATOM 0 H3' DC B 5 -3.179 8.557 3.224 1.00 0.00 H new ATOM 0 H2' DC B 5 -3.204 6.211 2.709 1.00 0.00 H new ATOM 0 H2'' DC B 5 -1.673 6.660 1.984 1.00 0.00 H new ATOM 0 H1' DC B 5 -0.410 5.752 3.721 1.00 0.00 H new ATOM 0 H41 DC B 5 -3.779 0.018 3.721 1.00 0.00 H new ATOM 0 H42 DC B 5 -2.080 -0.427 3.527 1.00 0.00 H new ATOM 0 H5 DC B 5 -4.513 2.333 3.920 1.00 0.00 H new ATOM 0 H6 DC B 5 -3.834 4.691 4.022 1.00 0.00 H new ATOM 347 P DA B 6 -0.952 9.327 1.684 1.00 0.00 P ATOM 348 OP1 DA B 6 -0.433 10.711 1.625 1.00 0.00 O ATOM 349 OP2 DA B 6 -2.172 9.202 0.859 1.00 0.00 O ATOM 350 O5' DA B 6 0.196 8.235 1.240 1.00 0.00 O ATOM 351 C5' DA B 6 1.438 8.289 1.983 1.00 0.00 C ATOM 352 C4' DA B 6 2.627 7.463 1.441 1.00 0.00 C ATOM 353 O4' DA B 6 2.447 6.042 1.600 1.00 0.00 O ATOM 354 C3' DA B 6 3.055 7.760 0.006 1.00 0.00 C ATOM 355 O3' DA B 6 4.452 8.054 -0.129 1.00 0.00 O ATOM 356 C2' DA B 6 2.695 6.477 -0.707 1.00 0.00 C ATOM 357 C1' DA B 6 2.618 5.361 0.346 1.00 0.00 C ATOM 358 N9 DA B 6 1.479 4.436 0.167 1.00 0.00 N ATOM 359 C8 DA B 6 0.218 4.888 0.040 1.00 0.00 C ATOM 360 N7 DA B 6 -0.688 3.867 -0.088 1.00 0.00 N ATOM 361 C5 DA B 6 0.092 2.753 -0.042 1.00 0.00 C ATOM 362 C6 DA B 6 -0.265 1.405 -0.133 1.00 0.00 C ATOM 363 N6 DA B 6 -1.548 1.020 -0.267 1.00 0.00 N ATOM 364 N1 DA B 6 0.723 0.464 -0.081 1.00 0.00 N ATOM 365 C2 DA B 6 2.039 0.843 0.060 1.00 0.00 C ATOM 366 N3 DA B 6 2.391 2.165 0.132 1.00 0.00 N ATOM 367 C4 DA B 6 1.405 3.093 0.102 1.00 0.00 C ATOM 0 H5' DA B 6 1.236 7.959 3.002 1.00 0.00 H new ATOM 0 H5'' DA B 6 1.751 9.332 2.041 1.00 0.00 H new ATOM 0 H4' DA B 6 3.443 7.805 2.078 1.00 0.00 H new ATOM 0 H3' DA B 6 2.570 8.652 -0.392 1.00 0.00 H new ATOM 0 H2' DA B 6 1.741 6.582 -1.223 1.00 0.00 H new ATOM 0 H2'' DA B 6 3.442 6.238 -1.464 1.00 0.00 H new ATOM 0 HO3' DA B 6 4.659 8.233 -1.070 1.00 0.00 H new ATOM 0 H1' DA B 6 3.516 4.747 0.275 1.00 0.00 H new ATOM 0 H8 DA B 6 -0.050 5.934 0.039 1.00 0.00 H new ATOM 0 H61 DA B 6 -1.779 0.029 -0.331 1.00 0.00 H new ATOM 0 H62 DA B 6 -2.289 1.720 -0.304 1.00 0.00 H new ATOM 0 H2 DA B 6 2.807 0.085 0.115 1.00 0.00 H new TER 380 DA B 6