USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 182 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 150:sc= -1.01 (180deg=-1.01) USER MOD Set 1.2: B 8 DT C7 :methyl 150:sc= -0.721 (180deg=-0.721) USER MOD Set 2.1: A 8 DT C7 :methyl 150:sc= -0.73 (180deg=-0.73) USER MOD Set 2.2: B 4 DT C7 :methyl 150:sc= -0.489 (180deg=-0.489) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 P DT A 1 5.452 4.947 -8.317 1.00 0.00 P ATOM 2 OP1 DT A 1 4.299 4.067 -8.016 1.00 0.00 O ATOM 3 OP2 DT A 1 5.570 5.566 -9.649 1.00 0.00 O ATOM 4 O5' DT A 1 6.756 4.070 -8.075 1.00 0.00 O ATOM 5 C5' DT A 1 6.974 2.894 -8.822 1.00 0.00 C ATOM 6 C4' DT A 1 8.355 2.318 -8.484 1.00 0.00 C ATOM 7 O4' DT A 1 9.343 3.102 -9.149 1.00 0.00 O ATOM 8 C3' DT A 1 8.717 2.311 -6.991 1.00 0.00 C ATOM 9 O3' DT A 1 9.479 1.145 -6.756 1.00 0.00 O ATOM 10 C2' DT A 1 9.549 3.574 -6.851 1.00 0.00 C ATOM 11 C1' DT A 1 10.255 3.621 -8.197 1.00 0.00 C ATOM 12 N1 DT A 1 10.610 5.023 -8.521 1.00 0.00 N ATOM 13 C2 DT A 1 11.930 5.412 -8.356 1.00 0.00 C ATOM 14 O2 DT A 1 12.835 4.651 -8.040 1.00 0.00 O ATOM 15 N3 DT A 1 12.216 6.736 -8.564 1.00 0.00 N ATOM 16 C4 DT A 1 11.312 7.711 -8.905 1.00 0.00 C ATOM 17 O4 DT A 1 11.716 8.859 -9.044 1.00 0.00 O ATOM 18 C5 DT A 1 9.942 7.246 -9.059 1.00 0.00 C ATOM 19 C7 DT A 1 8.813 8.205 -9.414 1.00 0.00 C ATOM 20 C6 DT A 1 9.642 5.938 -8.867 1.00 0.00 C ATOM 0 H5' DT A 1 6.911 3.111 -9.888 1.00 0.00 H new ATOM 0 H5'' DT A 1 6.199 2.161 -8.600 1.00 0.00 H new ATOM 0 H4' DT A 1 8.323 1.277 -8.806 1.00 0.00 H new ATOM 0 H3' DT A 1 7.881 2.301 -6.291 1.00 0.00 H new ATOM 0 H2' DT A 1 8.931 4.456 -6.681 1.00 0.00 H new ATOM 0 H2'' DT A 1 10.252 3.512 -6.021 1.00 0.00 H new ATOM 0 H1' DT A 1 11.176 3.039 -8.191 1.00 0.00 H new ATOM 0 H3 DT A 1 13.189 7.023 -8.456 1.00 0.00 H new ATOM 0 H71 DT A 1 8.049 7.674 -9.982 1.00 0.00 H new ATOM 0 H72 DT A 1 8.373 8.604 -8.500 1.00 0.00 H new ATOM 0 H73 DT A 1 9.207 9.025 -10.015 1.00 0.00 H new ATOM 0 H6 DT A 1 8.621 5.607 -8.988 1.00 0.00 H new ATOM 33 P DG A 2 9.973 0.750 -5.291 1.00 0.00 P ATOM 34 OP1 DG A 2 11.165 1.546 -4.947 1.00 0.00 O ATOM 35 OP2 DG A 2 10.031 -0.731 -5.196 1.00 0.00 O ATOM 36 O5' DG A 2 8.733 1.237 -4.392 1.00 0.00 O ATOM 37 C5' DG A 2 8.899 1.973 -3.196 1.00 0.00 C ATOM 38 C4' DG A 2 8.349 1.199 -2.002 1.00 0.00 C ATOM 39 O4' DG A 2 6.968 1.482 -1.994 1.00 0.00 O ATOM 40 C3' DG A 2 8.571 -0.310 -2.112 1.00 0.00 C ATOM 41 O3' DG A 2 8.994 -0.848 -0.877 1.00 0.00 O ATOM 42 C2' DG A 2 7.215 -0.804 -2.614 1.00 0.00 C ATOM 43 C1' DG A 2 6.235 0.328 -2.293 1.00 0.00 C ATOM 44 N9 DG A 2 5.294 0.600 -3.394 1.00 0.00 N ATOM 45 C8 DG A 2 5.507 0.692 -4.751 1.00 0.00 C ATOM 46 N7 DG A 2 4.435 1.010 -5.431 1.00 0.00 N ATOM 47 C5 DG A 2 3.452 1.148 -4.446 1.00 0.00 C ATOM 48 C6 DG A 2 2.084 1.539 -4.530 1.00 0.00 C ATOM 49 O6 DG A 2 1.485 1.902 -5.541 1.00 0.00 O ATOM 50 N1 DG A 2 1.432 1.544 -3.320 1.00 0.00 N ATOM 51 C2 DG A 2 2.042 1.248 -2.143 1.00 0.00 C ATOM 52 N2 DG A 2 1.312 1.304 -1.059 1.00 0.00 N ATOM 53 N3 DG A 2 3.325 0.939 -2.019 1.00 0.00 N ATOM 54 C4 DG A 2 3.973 0.901 -3.206 1.00 0.00 C ATOM 0 H5' DG A 2 8.388 2.932 -3.280 1.00 0.00 H new ATOM 0 H5'' DG A 2 9.956 2.188 -3.040 1.00 0.00 H new ATOM 0 H4' DG A 2 8.860 1.499 -1.087 1.00 0.00 H new ATOM 0 H3' DG A 2 9.370 -0.618 -2.786 1.00 0.00 H new ATOM 0 H2' DG A 2 7.242 -1.011 -3.684 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.924 -1.730 -2.118 1.00 0.00 H new ATOM 0 H1' DG A 2 5.632 0.018 -1.440 1.00 0.00 H new ATOM 0 H8 DG A 2 6.468 0.518 -5.211 1.00 0.00 H new ATOM 0 H1 DG A 2 0.440 1.782 -3.305 1.00 0.00 H new ATOM 0 H21 DG A 2 1.728 1.090 -0.153 1.00 0.00 H new ATOM 0 H22 DG A 2 0.327 1.562 -1.120 1.00 0.00 H new ATOM 66 P DC A 3 9.287 -2.411 -0.720 1.00 0.00 P ATOM 67 OP1 DC A 3 10.110 -2.675 0.483 1.00 0.00 O ATOM 68 OP2 DC A 3 9.692 -2.957 -2.038 1.00 0.00 O ATOM 69 O5' DC A 3 7.835 -2.936 -0.358 1.00 0.00 O ATOM 70 C5' DC A 3 7.159 -2.352 0.738 1.00 0.00 C ATOM 71 C4' DC A 3 5.707 -2.769 0.823 1.00 0.00 C ATOM 72 O4' DC A 3 5.053 -2.129 -0.241 1.00 0.00 O ATOM 73 C3' DC A 3 5.493 -4.272 0.649 1.00 0.00 C ATOM 74 O3' DC A 3 5.176 -4.914 1.862 1.00 0.00 O ATOM 75 C2' DC A 3 4.278 -4.324 -0.252 1.00 0.00 C ATOM 76 C1' DC A 3 3.897 -2.863 -0.477 1.00 0.00 C ATOM 77 N1 DC A 3 3.523 -2.604 -1.870 1.00 0.00 N ATOM 78 C2 DC A 3 2.313 -2.008 -2.123 1.00 0.00 C ATOM 79 O2 DC A 3 1.608 -1.633 -1.197 1.00 0.00 O ATOM 80 N3 DC A 3 1.897 -1.836 -3.402 1.00 0.00 N ATOM 81 C4 DC A 3 2.693 -2.226 -4.382 1.00 0.00 C ATOM 82 N4 DC A 3 2.232 -2.049 -5.597 1.00 0.00 N ATOM 83 C5 DC A 3 3.982 -2.790 -4.161 1.00 0.00 C ATOM 84 C6 DC A 3 4.357 -2.947 -2.883 1.00 0.00 C ATOM 0 H5' DC A 3 7.216 -1.266 0.657 1.00 0.00 H new ATOM 0 H5'' DC A 3 7.667 -2.630 1.662 1.00 0.00 H new ATOM 0 H4' DC A 3 5.331 -2.501 1.810 1.00 0.00 H new ATOM 0 H3' DC A 3 6.385 -4.768 0.267 1.00 0.00 H new ATOM 0 H2' DC A 3 4.505 -4.823 -1.194 1.00 0.00 H new ATOM 0 H2'' DC A 3 3.463 -4.878 0.214 1.00 0.00 H new ATOM 0 H1' DC A 3 3.056 -2.606 0.167 1.00 0.00 H new ATOM 0 H41 DC A 3 2.794 -2.327 -6.401 1.00 0.00 H new ATOM 0 H42 DC A 3 1.311 -1.633 -5.738 1.00 0.00 H new ATOM 0 H5 DC A 3 4.624 -3.077 -4.980 1.00 0.00 H new ATOM 0 H6 DC A 3 5.333 -3.351 -2.658 1.00 0.00 H new ATOM 96 P DT A 4 6.306 -5.577 2.775 1.00 0.00 P ATOM 97 OP1 DT A 4 7.600 -4.877 2.595 1.00 0.00 O ATOM 98 OP2 DT A 4 6.242 -7.041 2.559 1.00 0.00 O ATOM 99 O5' DT A 4 5.772 -5.305 4.254 1.00 0.00 O ATOM 100 C5' DT A 4 5.832 -4.028 4.862 1.00 0.00 C ATOM 101 C4' DT A 4 5.073 -4.038 6.207 1.00 0.00 C ATOM 102 O4' DT A 4 3.721 -3.710 5.939 1.00 0.00 O ATOM 103 C3' DT A 4 5.068 -5.396 6.943 1.00 0.00 C ATOM 104 O3' DT A 4 4.804 -5.408 8.338 1.00 0.00 O ATOM 105 C2' DT A 4 3.793 -6.020 6.386 1.00 0.00 C ATOM 106 C1' DT A 4 2.896 -4.780 6.351 1.00 0.00 C ATOM 107 N1 DT A 4 1.758 -4.924 5.413 1.00 0.00 N ATOM 108 C2 DT A 4 0.543 -5.336 5.940 1.00 0.00 C ATOM 109 O2 DT A 4 0.375 -5.633 7.115 1.00 0.00 O ATOM 110 N3 DT A 4 -0.510 -5.435 5.067 1.00 0.00 N ATOM 111 C4 DT A 4 -0.467 -5.157 3.725 1.00 0.00 C ATOM 112 O4 DT A 4 -1.489 -5.291 3.062 1.00 0.00 O ATOM 113 C5 DT A 4 0.832 -4.729 3.232 1.00 0.00 C ATOM 114 C7 DT A 4 1.013 -4.401 1.759 1.00 0.00 C ATOM 115 C6 DT A 4 1.887 -4.624 4.078 1.00 0.00 C ATOM 0 H5' DT A 4 5.398 -3.281 4.198 1.00 0.00 H new ATOM 0 H5'' DT A 4 6.872 -3.744 5.026 1.00 0.00 H new ATOM 0 H4' DT A 4 5.589 -3.328 6.853 1.00 0.00 H new ATOM 0 H3' DT A 4 6.053 -5.842 6.807 1.00 0.00 H new ATOM 0 H2' DT A 4 3.939 -6.459 5.399 1.00 0.00 H new ATOM 0 H2'' DT A 4 3.396 -6.806 7.029 1.00 0.00 H new ATOM 0 H1' DT A 4 2.457 -4.617 7.335 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.404 -5.743 5.450 1.00 0.00 H new ATOM 0 H71 DT A 4 1.787 -3.641 1.648 1.00 0.00 H new ATOM 0 H72 DT A 4 1.308 -5.301 1.219 1.00 0.00 H new ATOM 0 H73 DT A 4 0.074 -4.025 1.352 1.00 0.00 H new ATOM 0 H6 DT A 4 2.844 -4.299 3.696 1.00 0.00 H new ATOM 128 P DC A 5 5.419 -4.387 9.410 1.00 0.00 P ATOM 129 OP1 DC A 5 5.283 -4.986 10.750 1.00 0.00 O ATOM 130 OP2 DC A 5 4.839 -3.048 9.154 1.00 0.00 O ATOM 131 O5' DC A 5 6.981 -4.265 9.094 1.00 0.00 O ATOM 132 C5' DC A 5 7.775 -3.417 9.905 1.00 0.00 C ATOM 133 C4' DC A 5 9.157 -3.153 9.303 1.00 0.00 C ATOM 134 O4' DC A 5 10.006 -4.283 9.419 1.00 0.00 O ATOM 135 C3' DC A 5 9.108 -2.776 7.815 1.00 0.00 C ATOM 136 O3' DC A 5 9.490 -1.433 7.598 1.00 0.00 O ATOM 137 C2' DC A 5 10.143 -3.718 7.206 1.00 0.00 C ATOM 138 C1' DC A 5 10.971 -4.144 8.405 1.00 0.00 C ATOM 139 N1 DC A 5 11.640 -5.431 8.120 1.00 0.00 N ATOM 140 C2 DC A 5 12.980 -5.417 7.766 1.00 0.00 C ATOM 141 O2 DC A 5 13.612 -4.367 7.742 1.00 0.00 O ATOM 142 N3 DC A 5 13.590 -6.580 7.434 1.00 0.00 N ATOM 143 C4 DC A 5 12.898 -7.702 7.438 1.00 0.00 C ATOM 144 N4 DC A 5 13.550 -8.787 7.083 1.00 0.00 N ATOM 145 C5 DC A 5 11.515 -7.759 7.754 1.00 0.00 C ATOM 146 C6 DC A 5 10.923 -6.592 8.093 1.00 0.00 C ATOM 0 H5' DC A 5 7.892 -3.868 10.890 1.00 0.00 H new ATOM 0 H5'' DC A 5 7.258 -2.468 10.048 1.00 0.00 H new ATOM 0 H4' DC A 5 9.548 -2.312 9.876 1.00 0.00 H new ATOM 0 H3' DC A 5 8.108 -2.866 7.390 1.00 0.00 H new ATOM 0 H2' DC A 5 9.673 -4.571 6.717 1.00 0.00 H new ATOM 0 H2'' DC A 5 10.752 -3.216 6.454 1.00 0.00 H new ATOM 0 H1' DC A 5 11.763 -3.444 8.671 1.00 0.00 H new ATOM 0 H41 DC A 5 13.071 -9.687 7.066 1.00 0.00 H new ATOM 0 H42 DC A 5 14.535 -8.729 6.825 1.00 0.00 H new ATOM 0 H5 DC A 5 10.964 -8.687 7.725 1.00 0.00 H new ATOM 0 H6 DC A 5 9.873 -6.578 8.345 1.00 0.00 H new ATOM 158 P DG A 6 8.379 -0.335 7.246 1.00 0.00 P ATOM 159 OP1 DG A 6 9.009 0.976 6.930 1.00 0.00 O ATOM 160 OP2 DG A 6 7.266 -0.407 8.225 1.00 0.00 O ATOM 161 O5' DG A 6 7.780 -0.914 5.883 1.00 0.00 O ATOM 162 C5' DG A 6 8.587 -1.289 4.788 1.00 0.00 C ATOM 163 C4' DG A 6 8.080 -0.618 3.514 1.00 0.00 C ATOM 164 O4' DG A 6 6.742 -1.043 3.361 1.00 0.00 O ATOM 165 C3' DG A 6 8.128 0.901 3.645 1.00 0.00 C ATOM 166 O3' DG A 6 8.712 1.516 2.518 1.00 0.00 O ATOM 167 C2' DG A 6 6.674 1.280 3.919 1.00 0.00 C ATOM 168 C1' DG A 6 5.874 0.053 3.478 1.00 0.00 C ATOM 169 N9 DG A 6 4.796 -0.256 4.429 1.00 0.00 N ATOM 170 C8 DG A 6 4.801 -0.225 5.794 1.00 0.00 C ATOM 171 N7 DG A 6 3.676 -0.571 6.356 1.00 0.00 N ATOM 172 C5 DG A 6 2.851 -0.852 5.252 1.00 0.00 C ATOM 173 C6 DG A 6 1.489 -1.281 5.149 1.00 0.00 C ATOM 174 O6 DG A 6 0.697 -1.570 6.039 1.00 0.00 O ATOM 175 N1 DG A 6 1.047 -1.377 3.846 1.00 0.00 N ATOM 176 C2 DG A 6 1.823 -1.126 2.761 1.00 0.00 C ATOM 177 N2 DG A 6 1.275 -1.233 1.577 1.00 0.00 N ATOM 178 N3 DG A 6 3.094 -0.774 2.814 1.00 0.00 N ATOM 179 C4 DG A 6 3.540 -0.652 4.084 1.00 0.00 C ATOM 0 H5' DG A 6 8.573 -2.372 4.669 1.00 0.00 H new ATOM 0 H5'' DG A 6 9.622 -1.002 4.973 1.00 0.00 H new ATOM 0 H4' DG A 6 8.697 -0.888 2.656 1.00 0.00 H new ATOM 0 H3' DG A 6 8.775 1.255 4.447 1.00 0.00 H new ATOM 0 H2' DG A 6 6.513 1.502 4.974 1.00 0.00 H new ATOM 0 H2'' DG A 6 6.382 2.168 3.358 1.00 0.00 H new ATOM 0 H1' DG A 6 5.412 0.267 2.514 1.00 0.00 H new ATOM 0 H8 DG A 6 5.671 0.064 6.365 1.00 0.00 H new ATOM 0 H1 DG A 6 0.078 -1.653 3.688 1.00 0.00 H new ATOM 0 H21 DG A 6 1.829 -1.051 0.740 1.00 0.00 H new ATOM 0 H22 DG A 6 0.294 -1.498 1.491 1.00 0.00 H new ATOM 191 P DC A 7 8.848 3.106 2.458 1.00 0.00 P ATOM 192 OP1 DC A 7 9.825 3.517 1.420 1.00 0.00 O ATOM 193 OP2 DC A 7 8.974 3.593 3.859 1.00 0.00 O ATOM 194 O5' DC A 7 7.426 3.493 1.861 1.00 0.00 O ATOM 195 C5' DC A 7 6.983 2.854 0.675 1.00 0.00 C ATOM 196 C4' DC A 7 5.534 3.148 0.344 1.00 0.00 C ATOM 197 O4' DC A 7 4.776 2.441 1.290 1.00 0.00 O ATOM 198 C3' DC A 7 5.164 4.623 0.482 1.00 0.00 C ATOM 199 O3' DC A 7 4.956 5.235 -0.764 1.00 0.00 O ATOM 200 C2' DC A 7 3.829 4.562 1.187 1.00 0.00 C ATOM 201 C1' DC A 7 3.538 3.071 1.331 1.00 0.00 C ATOM 202 N1 DC A 7 2.965 2.766 2.645 1.00 0.00 N ATOM 203 C2 DC A 7 1.756 2.118 2.705 1.00 0.00 C ATOM 204 O2 DC A 7 1.217 1.738 1.677 1.00 0.00 O ATOM 205 N3 DC A 7 1.164 1.897 3.905 1.00 0.00 N ATOM 206 C4 DC A 7 1.780 2.309 5.003 1.00 0.00 C ATOM 207 N4 DC A 7 1.179 2.053 6.139 1.00 0.00 N ATOM 208 C5 DC A 7 3.041 2.974 4.979 1.00 0.00 C ATOM 209 C6 DC A 7 3.599 3.164 3.775 1.00 0.00 C ATOM 0 H5' DC A 7 7.114 1.777 0.780 1.00 0.00 H new ATOM 0 H5'' DC A 7 7.611 3.172 -0.157 1.00 0.00 H new ATOM 0 H4' DC A 7 5.351 2.865 -0.693 1.00 0.00 H new ATOM 0 H3' DC A 7 5.946 5.188 0.989 1.00 0.00 H new ATOM 0 H2' DC A 7 3.871 5.053 2.159 1.00 0.00 H new ATOM 0 H2'' DC A 7 3.052 5.064 0.610 1.00 0.00 H new ATOM 0 H1' DC A 7 2.843 2.753 0.554 1.00 0.00 H new ATOM 0 H41 DC A 7 1.605 2.346 7.018 1.00 0.00 H new ATOM 0 H42 DC A 7 0.285 1.561 6.144 1.00 0.00 H new ATOM 0 H5 DC A 7 3.523 3.308 5.886 1.00 0.00 H new ATOM 0 H6 DC A 7 4.566 3.640 3.704 1.00 0.00 H new ATOM 221 P DT A 8 6.133 5.968 -1.546 1.00 0.00 P ATOM 222 OP1 DT A 8 7.428 5.291 -1.286 1.00 0.00 O ATOM 223 OP2 DT A 8 6.010 7.418 -1.265 1.00 0.00 O ATOM 224 O5' DT A 8 5.676 5.719 -3.056 1.00 0.00 O ATOM 225 C5' DT A 8 5.997 4.538 -3.764 1.00 0.00 C ATOM 226 C4' DT A 8 5.325 4.553 -5.153 1.00 0.00 C ATOM 227 O4' DT A 8 3.958 4.155 -5.061 1.00 0.00 O ATOM 228 C3' DT A 8 5.356 5.956 -5.801 1.00 0.00 C ATOM 229 O3' DT A 8 5.580 6.099 -7.200 1.00 0.00 O ATOM 230 C2' DT A 8 3.971 6.487 -5.464 1.00 0.00 C ATOM 231 C1' DT A 8 3.123 5.225 -5.480 1.00 0.00 C ATOM 232 N1 DT A 8 1.925 5.333 -4.621 1.00 0.00 N ATOM 233 C2 DT A 8 0.750 5.769 -5.218 1.00 0.00 C ATOM 234 O2 DT A 8 0.666 6.107 -6.390 1.00 0.00 O ATOM 235 N3 DT A 8 -0.369 5.806 -4.431 1.00 0.00 N ATOM 236 C4 DT A 8 -0.430 5.439 -3.114 1.00 0.00 C ATOM 237 O4 DT A 8 -1.510 5.500 -2.538 1.00 0.00 O ATOM 238 C5 DT A 8 0.831 4.995 -2.541 1.00 0.00 C ATOM 239 C7 DT A 8 0.885 4.549 -1.092 1.00 0.00 C ATOM 240 C6 DT A 8 1.957 4.962 -3.300 1.00 0.00 C ATOM 0 H5' DT A 8 5.666 3.666 -3.201 1.00 0.00 H new ATOM 0 H5'' DT A 8 7.078 4.454 -3.875 1.00 0.00 H new ATOM 0 H4' DT A 8 5.892 3.855 -5.768 1.00 0.00 H new ATOM 0 H3' DT A 8 6.233 6.475 -5.414 1.00 0.00 H new ATOM 0 H2' DT A 8 3.950 6.978 -4.491 1.00 0.00 H new ATOM 0 H2'' DT A 8 3.627 7.217 -6.197 1.00 0.00 H new ATOM 0 H1' DT A 8 2.742 5.055 -6.487 1.00 0.00 H new ATOM 0 H3 DT A 8 -1.232 6.136 -4.863 1.00 0.00 H new ATOM 0 H71 DT A 8 1.665 3.797 -0.972 1.00 0.00 H new ATOM 0 H72 DT A 8 1.106 5.406 -0.456 1.00 0.00 H new ATOM 0 H73 DT A 8 -0.077 4.123 -0.806 1.00 0.00 H new ATOM 0 H6 DT A 8 2.889 4.640 -2.859 1.00 0.00 H new TER 253 DT A 8 ATOM 254 P DT B 1 -3.941 -4.020 -9.396 1.00 0.00 P ATOM 255 OP1 DT B 1 -3.864 -4.528 -10.778 1.00 0.00 O ATOM 256 OP2 DT B 1 -2.840 -3.191 -8.855 1.00 0.00 O ATOM 257 O5' DT B 1 -5.259 -3.135 -9.285 1.00 0.00 O ATOM 258 C5' DT B 1 -5.342 -1.893 -9.952 1.00 0.00 C ATOM 259 C4' DT B 1 -6.776 -1.353 -9.880 1.00 0.00 C ATOM 260 O4' DT B 1 -7.577 -2.088 -10.801 1.00 0.00 O ATOM 261 C3' DT B 1 -7.455 -1.455 -8.503 1.00 0.00 C ATOM 262 O3' DT B 1 -8.262 -0.297 -8.353 1.00 0.00 O ATOM 263 C2' DT B 1 -8.286 -2.718 -8.647 1.00 0.00 C ATOM 264 C1' DT B 1 -8.669 -2.680 -10.119 1.00 0.00 C ATOM 265 N1 DT B 1 -8.901 -4.060 -10.605 1.00 0.00 N ATOM 266 C2 DT B 1 -10.214 -4.482 -10.751 1.00 0.00 C ATOM 267 O2 DT B 1 -11.189 -3.765 -10.566 1.00 0.00 O ATOM 268 N3 DT B 1 -10.407 -5.788 -11.122 1.00 0.00 N ATOM 269 C4 DT B 1 -9.420 -6.716 -11.344 1.00 0.00 C ATOM 270 O4 DT B 1 -9.746 -7.853 -11.659 1.00 0.00 O ATOM 271 C5 DT B 1 -8.064 -6.220 -11.162 1.00 0.00 C ATOM 272 C7 DT B 1 -6.863 -7.141 -11.338 1.00 0.00 C ATOM 273 C6 DT B 1 -7.855 -4.930 -10.804 1.00 0.00 C ATOM 0 H5' DT B 1 -5.040 -2.009 -10.993 1.00 0.00 H new ATOM 0 H5'' DT B 1 -4.653 -1.180 -9.498 1.00 0.00 H new ATOM 0 H4' DT B 1 -6.698 -0.290 -10.109 1.00 0.00 H new ATOM 0 H3' DT B 1 -6.795 -1.504 -7.637 1.00 0.00 H new ATOM 0 H2' DT B 1 -7.715 -3.612 -8.397 1.00 0.00 H new ATOM 0 H2'' DT B 1 -9.161 -2.707 -7.997 1.00 0.00 H new ATOM 0 H1' DT B 1 -9.583 -2.111 -10.286 1.00 0.00 H new ATOM 0 H3 DT B 1 -11.371 -6.098 -11.244 1.00 0.00 H new ATOM 0 H71 DT B 1 -6.008 -6.562 -11.687 1.00 0.00 H new ATOM 0 H72 DT B 1 -6.620 -7.608 -10.384 1.00 0.00 H new ATOM 0 H73 DT B 1 -7.101 -7.913 -12.070 1.00 0.00 H new ATOM 0 H6 DT B 1 -6.843 -4.577 -10.672 1.00 0.00 H new ATOM 286 P DG B 2 -9.023 0.019 -6.983 1.00 0.00 P ATOM 287 OP1 DG B 2 -10.212 -0.841 -6.847 1.00 0.00 O ATOM 288 OP2 DG B 2 -9.162 1.487 -6.783 1.00 0.00 O ATOM 289 O5' DG B 2 -7.911 -0.459 -5.945 1.00 0.00 O ATOM 290 C5' DG B 2 -8.141 -1.474 -4.997 1.00 0.00 C ATOM 291 C4' DG B 2 -7.820 -0.927 -3.615 1.00 0.00 C ATOM 292 O4' DG B 2 -6.456 -1.166 -3.364 1.00 0.00 O ATOM 293 C3' DG B 2 -8.094 0.565 -3.510 1.00 0.00 C ATOM 294 O3' DG B 2 -8.679 0.795 -2.256 1.00 0.00 O ATOM 295 C2' DG B 2 -6.712 1.178 -3.715 1.00 0.00 C ATOM 296 C1' DG B 2 -5.752 0.047 -3.340 1.00 0.00 C ATOM 297 N9 DG B 2 -4.616 -0.069 -4.267 1.00 0.00 N ATOM 298 C8 DG B 2 -4.592 -0.059 -5.642 1.00 0.00 C ATOM 299 N7 DG B 2 -3.413 -0.309 -6.149 1.00 0.00 N ATOM 300 C5 DG B 2 -2.612 -0.517 -5.020 1.00 0.00 C ATOM 301 C6 DG B 2 -1.248 -0.902 -4.899 1.00 0.00 C ATOM 302 O6 DG B 2 -0.480 -1.175 -5.819 1.00 0.00 O ATOM 303 N1 DG B 2 -0.818 -1.022 -3.598 1.00 0.00 N ATOM 304 C2 DG B 2 -1.629 -0.843 -2.521 1.00 0.00 C ATOM 305 N2 DG B 2 -1.101 -0.999 -1.334 1.00 0.00 N ATOM 306 N3 DG B 2 -2.919 -0.542 -2.600 1.00 0.00 N ATOM 307 C4 DG B 2 -3.345 -0.386 -3.874 1.00 0.00 C ATOM 0 H5' DG B 2 -7.519 -2.343 -5.214 1.00 0.00 H new ATOM 0 H5'' DG B 2 -9.178 -1.805 -5.041 1.00 0.00 H new ATOM 0 H4' DG B 2 -8.458 -1.425 -2.885 1.00 0.00 H new ATOM 0 H3' DG B 2 -8.790 0.997 -4.229 1.00 0.00 H new ATOM 0 H2' DG B 2 -6.567 1.501 -4.746 1.00 0.00 H new ATOM 0 H2'' DG B 2 -6.565 2.054 -3.083 1.00 0.00 H new ATOM 0 H1' DG B 2 -5.356 0.274 -2.350 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.465 0.137 -6.246 1.00 0.00 H new ATOM 0 H1 DG B 2 0.160 -1.258 -3.432 1.00 0.00 H new ATOM 0 H21 DG B 2 -1.675 -0.874 -0.500 1.00 0.00 H new ATOM 0 H22 DG B 2 -0.116 -1.246 -1.243 1.00 0.00 H new ATOM 319 P DC B 3 -9.178 2.242 -1.862 1.00 0.00 P ATOM 320 OP1 DC B 3 -10.090 2.002 -0.713 1.00 0.00 O ATOM 321 OP2 DC B 3 -9.644 2.928 -3.089 1.00 0.00 O ATOM 322 O5' DC B 3 -7.851 2.899 -1.297 1.00 0.00 O ATOM 323 C5' DC B 3 -7.168 2.232 -0.255 1.00 0.00 C ATOM 324 C4' DC B 3 -5.801 2.785 0.100 1.00 0.00 C ATOM 325 O4' DC B 3 -4.945 2.264 -0.883 1.00 0.00 O ATOM 326 C3' DC B 3 -5.673 4.310 0.032 1.00 0.00 C ATOM 327 O3' DC B 3 -5.641 4.949 1.285 1.00 0.00 O ATOM 328 C2' DC B 3 -4.316 4.484 -0.623 1.00 0.00 C ATOM 329 C1' DC B 3 -3.812 3.068 -0.878 1.00 0.00 C ATOM 330 N1 DC B 3 -3.193 2.937 -2.201 1.00 0.00 N ATOM 331 C2 DC B 3 -1.933 2.396 -2.286 1.00 0.00 C ATOM 332 O2 DC B 3 -1.389 1.956 -1.284 1.00 0.00 O ATOM 333 N3 DC B 3 -1.296 2.343 -3.483 1.00 0.00 N ATOM 334 C4 DC B 3 -1.924 2.803 -4.553 1.00 0.00 C ATOM 335 N4 DC B 3 -1.258 2.741 -5.682 1.00 0.00 N ATOM 336 C5 DC B 3 -3.256 3.305 -4.515 1.00 0.00 C ATOM 337 C6 DC B 3 -3.854 3.342 -3.315 1.00 0.00 C ATOM 0 H5' DC B 3 -7.054 1.184 -0.534 1.00 0.00 H new ATOM 0 H5'' DC B 3 -7.792 2.258 0.638 1.00 0.00 H new ATOM 0 H4' DC B 3 -5.582 2.511 1.132 1.00 0.00 H new ATOM 0 H3' DC B 3 -6.528 4.747 -0.484 1.00 0.00 H new ATOM 0 H2' DC B 3 -4.397 5.047 -1.553 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.634 5.034 0.025 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.072 2.801 -0.123 1.00 0.00 H new ATOM 0 H41 DC B 3 -1.684 3.079 -6.545 1.00 0.00 H new ATOM 0 H42 DC B 3 -0.314 2.355 -5.697 1.00 0.00 H new ATOM 0 H5 DC B 3 -3.760 3.640 -5.409 1.00 0.00 H new ATOM 0 H6 DC B 3 -4.871 3.697 -3.234 1.00 0.00 H new ATOM 349 P DT B 4 -6.979 5.284 2.092 1.00 0.00 P ATOM 350 OP1 DT B 4 -8.074 4.348 1.751 1.00 0.00 O ATOM 351 OP2 DT B 4 -7.265 6.735 2.065 1.00 0.00 O ATOM 352 O5' DT B 4 -6.553 5.040 3.602 1.00 0.00 O ATOM 353 C5' DT B 4 -6.593 3.769 4.213 1.00 0.00 C ATOM 354 C4' DT B 4 -5.876 3.798 5.561 1.00 0.00 C ATOM 355 O4' DT B 4 -4.561 3.334 5.372 1.00 0.00 O ATOM 356 C3' DT B 4 -5.825 5.163 6.269 1.00 0.00 C ATOM 357 O3' DT B 4 -6.656 5.232 7.406 1.00 0.00 O ATOM 358 C2' DT B 4 -4.362 5.294 6.666 1.00 0.00 C ATOM 359 C1' DT B 4 -3.673 4.003 6.231 1.00 0.00 C ATOM 360 N1 DT B 4 -2.448 4.301 5.457 1.00 0.00 N ATOM 361 C2 DT B 4 -1.294 4.558 6.178 1.00 0.00 C ATOM 362 O2 DT B 4 -1.243 4.556 7.400 1.00 0.00 O ATOM 363 N3 DT B 4 -0.166 4.850 5.455 1.00 0.00 N ATOM 364 C4 DT B 4 -0.072 4.855 4.088 1.00 0.00 C ATOM 365 O4 DT B 4 1.014 5.098 3.574 1.00 0.00 O ATOM 366 C5 DT B 4 -1.309 4.561 3.386 1.00 0.00 C ATOM 367 C7 DT B 4 -1.325 4.462 1.871 1.00 0.00 C ATOM 368 C6 DT B 4 -2.448 4.314 4.079 1.00 0.00 C ATOM 0 H5' DT B 4 -6.124 3.031 3.562 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.629 3.459 4.352 1.00 0.00 H new ATOM 0 H4' DT B 4 -6.466 3.161 6.220 1.00 0.00 H new ATOM 0 H3' DT B 4 -6.186 5.963 5.623 1.00 0.00 H new ATOM 0 H2' DT B 4 -3.906 6.158 6.183 1.00 0.00 H new ATOM 0 H2'' DT B 4 -4.264 5.442 7.742 1.00 0.00 H new ATOM 0 H1' DT B 4 -3.409 3.413 7.109 1.00 0.00 H new ATOM 0 H3 DT B 4 0.676 5.084 5.981 1.00 0.00 H new ATOM 0 H71 DT B 4 -2.100 3.761 1.560 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.532 5.444 1.444 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.355 4.110 1.519 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.367 4.125 3.544 1.00 0.00 H new ATOM 381 P DC B 5 -8.234 5.488 7.246 1.00 0.00 P ATOM 382 OP1 DC B 5 -8.448 6.146 5.930 1.00 0.00 O ATOM 383 OP2 DC B 5 -8.715 6.152 8.471 1.00 0.00 O ATOM 384 O5' DC B 5 -8.862 4.011 7.185 1.00 0.00 O ATOM 385 C5' DC B 5 -9.037 3.268 8.376 1.00 0.00 C ATOM 386 C4' DC B 5 -9.722 1.922 8.094 1.00 0.00 C ATOM 387 O4' DC B 5 -10.160 1.410 9.342 1.00 0.00 O ATOM 388 C3' DC B 5 -8.698 0.883 7.626 1.00 0.00 C ATOM 389 O3' DC B 5 -9.305 -0.327 7.207 1.00 0.00 O ATOM 390 C2' DC B 5 -8.057 0.443 8.946 1.00 0.00 C ATOM 391 C1' DC B 5 -9.003 0.970 10.032 1.00 0.00 C ATOM 392 N1 DC B 5 -9.396 -0.102 10.975 1.00 0.00 N ATOM 393 C2 DC B 5 -9.161 0.070 12.333 1.00 0.00 C ATOM 394 O2 DC B 5 -8.588 1.067 12.755 1.00 0.00 O ATOM 395 N3 DC B 5 -9.567 -0.886 13.203 1.00 0.00 N ATOM 396 C4 DC B 5 -10.178 -1.962 12.750 1.00 0.00 C ATOM 397 N4 DC B 5 -10.546 -2.843 13.651 1.00 0.00 N ATOM 398 C5 DC B 5 -10.435 -2.186 11.372 1.00 0.00 C ATOM 399 C6 DC B 5 -10.029 -1.223 10.518 1.00 0.00 C ATOM 0 H5' DC B 5 -9.636 3.843 9.082 1.00 0.00 H new ATOM 0 H5'' DC B 5 -8.069 3.095 8.846 1.00 0.00 H new ATOM 0 H4' DC B 5 -10.507 2.081 7.355 1.00 0.00 H new ATOM 0 H3' DC B 5 -8.081 1.304 6.833 1.00 0.00 H new ATOM 0 H2' DC B 5 -7.960 -0.641 8.997 1.00 0.00 H new ATOM 0 H2'' DC B 5 -7.055 0.858 9.058 1.00 0.00 H new ATOM 0 H1' DC B 5 -8.520 1.756 10.612 1.00 0.00 H new ATOM 0 H41 DC B 5 -11.024 -3.697 13.364 1.00 0.00 H new ATOM 0 H42 DC B 5 -10.354 -2.673 14.638 1.00 0.00 H new ATOM 0 H5 DC B 5 -10.930 -3.081 11.025 1.00 0.00 H new ATOM 0 H6 DC B 5 -10.207 -1.340 9.459 1.00 0.00 H new ATOM 411 P DG B 6 -10.021 -0.438 5.785 1.00 0.00 P ATOM 412 OP1 DG B 6 -11.281 0.325 5.796 1.00 0.00 O ATOM 413 OP2 DG B 6 -10.028 -1.860 5.345 1.00 0.00 O ATOM 414 O5' DG B 6 -8.968 0.328 4.857 1.00 0.00 O ATOM 415 C5' DG B 6 -9.372 1.073 3.731 1.00 0.00 C ATOM 416 C4' DG B 6 -8.580 0.591 2.520 1.00 0.00 C ATOM 417 O4' DG B 6 -7.241 1.013 2.667 1.00 0.00 O ATOM 418 C3' DG B 6 -8.620 -0.923 2.389 1.00 0.00 C ATOM 419 O3' DG B 6 -8.938 -1.235 1.055 1.00 0.00 O ATOM 420 C2' DG B 6 -7.231 -1.352 2.850 1.00 0.00 C ATOM 421 C1' DG B 6 -6.376 -0.095 2.665 1.00 0.00 C ATOM 422 N9 DG B 6 -5.399 0.073 3.751 1.00 0.00 N ATOM 423 C8 DG B 6 -5.581 -0.021 5.107 1.00 0.00 C ATOM 424 N7 DG B 6 -4.495 0.187 5.801 1.00 0.00 N ATOM 425 C5 DG B 6 -3.535 0.500 4.831 1.00 0.00 C ATOM 426 C6 DG B 6 -2.162 0.883 4.936 1.00 0.00 C ATOM 427 O6 DG B 6 -1.479 1.036 5.941 1.00 0.00 O ATOM 428 N1 DG B 6 -1.569 1.125 3.716 1.00 0.00 N ATOM 429 C2 DG B 6 -2.217 1.027 2.527 1.00 0.00 C ATOM 430 N2 DG B 6 -1.521 1.263 1.444 1.00 0.00 N ATOM 431 N3 DG B 6 -3.492 0.692 2.391 1.00 0.00 N ATOM 432 C4 DG B 6 -4.093 0.448 3.581 1.00 0.00 C ATOM 0 H5' DG B 6 -9.198 2.136 3.898 1.00 0.00 H new ATOM 0 H5'' DG B 6 -10.441 0.948 3.558 1.00 0.00 H new ATOM 0 H4' DG B 6 -9.027 1.013 1.620 1.00 0.00 H new ATOM 0 H3' DG B 6 -9.372 -1.444 2.981 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.239 -1.680 3.889 1.00 0.00 H new ATOM 0 H2'' DG B 6 -6.852 -2.184 2.256 1.00 0.00 H new ATOM 0 H1' DG B 6 -5.823 -0.184 1.730 1.00 0.00 H new ATOM 0 H8 DG B 6 -6.535 -0.246 5.559 1.00 0.00 H new ATOM 0 H1 DG B 6 -0.585 1.394 3.706 1.00 0.00 H new ATOM 0 H21 DG B 6 -1.966 1.201 0.528 1.00 0.00 H new ATOM 0 H22 DG B 6 -0.534 1.509 1.516 1.00 0.00 H new ATOM 444 P DC B 7 -9.154 -2.741 0.607 1.00 0.00 P ATOM 445 OP1 DC B 7 -9.850 -2.648 -0.705 1.00 0.00 O ATOM 446 OP2 DC B 7 -9.733 -3.492 1.744 1.00 0.00 O ATOM 447 O5' DC B 7 -7.678 -3.209 0.295 1.00 0.00 O ATOM 448 C5' DC B 7 -6.944 -2.485 -0.672 1.00 0.00 C ATOM 449 C4' DC B 7 -5.475 -2.836 -0.734 1.00 0.00 C ATOM 450 O4' DC B 7 -4.901 -2.251 0.404 1.00 0.00 O ATOM 451 C3' DC B 7 -5.184 -4.335 -0.656 1.00 0.00 C ATOM 452 O3' DC B 7 -4.760 -4.862 -1.886 1.00 0.00 O ATOM 453 C2' DC B 7 -3.995 -4.387 0.277 1.00 0.00 C ATOM 454 C1' DC B 7 -3.702 -2.926 0.588 1.00 0.00 C ATOM 455 N1 DC B 7 -3.324 -2.764 1.992 1.00 0.00 N ATOM 456 C2 DC B 7 -2.116 -2.184 2.281 1.00 0.00 C ATOM 457 O2 DC B 7 -1.444 -1.717 1.374 1.00 0.00 O ATOM 458 N3 DC B 7 -1.680 -2.128 3.563 1.00 0.00 N ATOM 459 C4 DC B 7 -2.456 -2.615 4.521 1.00 0.00 C ATOM 460 N4 DC B 7 -2.000 -2.518 5.747 1.00 0.00 N ATOM 461 C5 DC B 7 -3.737 -3.184 4.259 1.00 0.00 C ATOM 462 C6 DC B 7 -4.131 -3.225 2.979 1.00 0.00 C ATOM 0 H5' DC B 7 -7.042 -1.420 -0.462 1.00 0.00 H new ATOM 0 H5'' DC B 7 -7.388 -2.659 -1.652 1.00 0.00 H new ATOM 0 H4' DC B 7 -5.082 -2.486 -1.689 1.00 0.00 H new ATOM 0 H3' DC B 7 -6.067 -4.896 -0.351 1.00 0.00 H new ATOM 0 H2' DC B 7 -4.223 -4.949 1.183 1.00 0.00 H new ATOM 0 H2'' DC B 7 -3.140 -4.873 -0.193 1.00 0.00 H new ATOM 0 H1' DC B 7 -2.893 -2.558 -0.043 1.00 0.00 H new ATOM 0 H41 DC B 7 -2.553 -2.875 6.526 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.093 -2.085 5.921 1.00 0.00 H new ATOM 0 H5 DC B 7 -4.360 -3.564 5.055 1.00 0.00 H new ATOM 0 H6 DC B 7 -5.101 -3.629 2.731 1.00 0.00 H new ATOM 474 P DT B 8 -5.785 -5.506 -2.917 1.00 0.00 P ATOM 475 OP1 DT B 8 -7.082 -4.783 -2.861 1.00 0.00 O ATOM 476 OP2 DT B 8 -5.762 -6.971 -2.701 1.00 0.00 O ATOM 477 O5' DT B 8 -5.034 -5.203 -4.297 1.00 0.00 O ATOM 478 C5' DT B 8 -5.221 -3.989 -4.999 1.00 0.00 C ATOM 479 C4' DT B 8 -4.314 -3.897 -6.239 1.00 0.00 C ATOM 480 O4' DT B 8 -2.995 -3.488 -5.885 1.00 0.00 O ATOM 481 C3' DT B 8 -4.208 -5.240 -6.992 1.00 0.00 C ATOM 482 O3' DT B 8 -4.243 -5.259 -8.413 1.00 0.00 O ATOM 483 C2' DT B 8 -2.875 -5.772 -6.492 1.00 0.00 C ATOM 484 C1' DT B 8 -2.071 -4.504 -6.248 1.00 0.00 C ATOM 485 N1 DT B 8 -1.046 -4.679 -5.198 1.00 0.00 N ATOM 486 C2 DT B 8 0.228 -5.051 -5.604 1.00 0.00 C ATOM 487 O2 DT B 8 0.537 -5.263 -6.768 1.00 0.00 O ATOM 488 N3 DT B 8 1.178 -5.178 -4.627 1.00 0.00 N ATOM 489 C4 DT B 8 0.982 -4.951 -3.291 1.00 0.00 C ATOM 490 O4 DT B 8 1.929 -5.094 -2.527 1.00 0.00 O ATOM 491 C5 DT B 8 -0.366 -4.546 -2.928 1.00 0.00 C ATOM 492 C7 DT B 8 -0.696 -4.220 -1.484 1.00 0.00 C ATOM 493 C6 DT B 8 -1.329 -4.431 -3.878 1.00 0.00 C ATOM 0 H5' DT B 8 -5.014 -3.150 -4.335 1.00 0.00 H new ATOM 0 H5'' DT B 8 -6.264 -3.903 -5.305 1.00 0.00 H new ATOM 0 H4' DT B 8 -4.779 -3.157 -6.890 1.00 0.00 H new ATOM 0 H3' DT B 8 -5.106 -5.821 -6.783 1.00 0.00 H new ATOM 0 H2' DT B 8 -2.991 -6.358 -5.580 1.00 0.00 H new ATOM 0 H2'' DT B 8 -2.396 -6.418 -7.228 1.00 0.00 H new ATOM 0 H1' DT B 8 -1.526 -4.238 -7.153 1.00 0.00 H new ATOM 0 H3 DT B 8 2.112 -5.466 -4.919 1.00 0.00 H new ATOM 0 H71 DT B 8 -1.491 -3.475 -1.452 1.00 0.00 H new ATOM 0 H72 DT B 8 -1.026 -5.125 -0.973 1.00 0.00 H new ATOM 0 H73 DT B 8 0.191 -3.826 -0.988 1.00 0.00 H new ATOM 0 H6 DT B 8 -2.329 -4.141 -3.592 1.00 0.00 H new TER 506 DT B 8