USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=7 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 150:sc= -0.0825 (180deg=-0.0823) USER MOD Set 1.2: B 16 DT C7 :methyl -30:sc= -0.0515 (180deg=-0.0127) USER MOD Set 2.1: A 8 DT C7 :methyl -30:sc= -0.28 (180deg=-0.348) USER MOD Set 2.2: B 12 DT C7 :methyl 150:sc= -0.0157 (180deg=-0.0107) USER MOD Set 3.1: A 1 DT C7 :methyl -30:sc= -0.051 (180deg=-0.051) USER MOD Set 3.2: B 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 57:sc= 1.14 USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT O3' : rot 180:sc= 0 USER MOD Single : B 9 DT O5' : rot -30:sc= 0.0302 USER MOD Single : B 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 16 DT O3' : rot 6:sc= 0.058 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 11.775 -3.655 -6.468 1.00 0.00 O ATOM 2 C5' DT A 1 10.644 -4.401 -6.897 1.00 0.00 C ATOM 3 C4' DT A 1 9.648 -3.453 -7.544 1.00 0.00 C ATOM 4 O4' DT A 1 8.809 -4.214 -8.363 1.00 0.00 O ATOM 5 C3' DT A 1 8.739 -2.729 -6.540 1.00 0.00 C ATOM 6 O3' DT A 1 8.804 -1.335 -6.732 1.00 0.00 O ATOM 7 C2' DT A 1 7.352 -3.176 -6.921 1.00 0.00 C ATOM 8 C1' DT A 1 7.551 -3.582 -8.387 1.00 0.00 C ATOM 9 N1 DT A 1 6.502 -4.480 -8.900 1.00 0.00 N ATOM 10 C2 DT A 1 6.782 -5.344 -9.976 1.00 0.00 C ATOM 11 O2 DT A 1 7.837 -5.411 -10.599 1.00 0.00 O ATOM 12 N3 DT A 1 5.751 -6.154 -10.387 1.00 0.00 N ATOM 13 C4 DT A 1 4.463 -6.129 -9.900 1.00 0.00 C ATOM 14 O4 DT A 1 3.646 -6.899 -10.392 1.00 0.00 O ATOM 15 C5 DT A 1 4.223 -5.172 -8.838 1.00 0.00 C ATOM 16 C7 DT A 1 2.855 -5.062 -8.218 1.00 0.00 C ATOM 17 C6 DT A 1 5.225 -4.373 -8.386 1.00 0.00 C ATOM 0 H5' DT A 1 10.185 -4.910 -6.050 1.00 0.00 H new ATOM 0 H5'' DT A 1 10.947 -5.171 -7.606 1.00 0.00 H new ATOM 0 H4' DT A 1 10.228 -2.700 -8.077 1.00 0.00 H new ATOM 0 H3' DT A 1 9.018 -2.948 -5.509 1.00 0.00 H new ATOM 0 H2' DT A 1 7.007 -4.009 -6.308 1.00 0.00 H new ATOM 0 H2'' DT A 1 6.619 -2.376 -6.813 1.00 0.00 H new ATOM 0 HO5' DT A 1 11.487 -2.950 -5.851 1.00 0.00 H new ATOM 0 H1' DT A 1 7.495 -2.726 -9.060 1.00 0.00 H new ATOM 0 H3 DT A 1 5.958 -6.835 -11.118 1.00 0.00 H new ATOM 0 H71 DT A 1 2.098 -5.322 -8.958 1.00 0.00 H new ATOM 0 H72 DT A 1 2.784 -5.744 -7.371 1.00 0.00 H new ATOM 0 H73 DT A 1 2.692 -4.040 -7.876 1.00 0.00 H new ATOM 0 H6 DT A 1 5.020 -3.645 -7.615 1.00 0.00 H new ATOM 31 P DG A 2 9.882 -0.503 -5.928 1.00 0.00 P ATOM 32 OP1 DG A 2 9.931 0.867 -6.463 1.00 0.00 O ATOM 33 OP2 DG A 2 11.130 -1.317 -5.929 1.00 0.00 O ATOM 34 O5' DG A 2 9.187 -0.539 -4.486 1.00 0.00 O ATOM 35 C5' DG A 2 9.494 0.406 -3.484 1.00 0.00 C ATOM 36 C4' DG A 2 8.692 0.152 -2.201 1.00 0.00 C ATOM 37 O4' DG A 2 7.355 0.584 -2.321 1.00 0.00 O ATOM 38 C3' DG A 2 8.718 -1.295 -1.717 1.00 0.00 C ATOM 39 O3' DG A 2 8.849 -1.309 -0.303 1.00 0.00 O ATOM 40 C2' DG A 2 7.358 -1.763 -2.194 1.00 0.00 C ATOM 41 C1' DG A 2 6.491 -0.507 -2.112 1.00 0.00 C ATOM 42 N9 DG A 2 5.528 -0.408 -3.210 1.00 0.00 N ATOM 43 C8 DG A 2 5.805 -0.560 -4.531 1.00 0.00 C ATOM 44 N7 DG A 2 4.792 -0.343 -5.328 1.00 0.00 N ATOM 45 C5 DG A 2 3.779 0.072 -4.446 1.00 0.00 C ATOM 46 C6 DG A 2 2.431 0.536 -4.668 1.00 0.00 C ATOM 47 O6 DG A 2 1.788 0.669 -5.706 1.00 0.00 O ATOM 48 N1 DG A 2 1.783 0.895 -3.503 1.00 0.00 N ATOM 49 C2 DG A 2 2.317 0.764 -2.265 1.00 0.00 C ATOM 50 N2 DG A 2 1.549 1.126 -1.272 1.00 0.00 N ATOM 51 N3 DG A 2 3.538 0.312 -2.005 1.00 0.00 N ATOM 52 C4 DG A 2 4.229 0.011 -3.144 1.00 0.00 C ATOM 0 H5' DG A 2 9.282 1.410 -3.853 1.00 0.00 H new ATOM 0 H5'' DG A 2 10.560 0.367 -3.261 1.00 0.00 H new ATOM 0 H4' DG A 2 9.203 0.748 -1.445 1.00 0.00 H new ATOM 0 H3' DG A 2 9.535 -1.920 -2.078 1.00 0.00 H new ATOM 0 H2' DG A 2 7.403 -2.152 -3.211 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.966 -2.562 -1.564 1.00 0.00 H new ATOM 0 H1' DG A 2 5.966 -0.528 -1.157 1.00 0.00 H new ATOM 0 H8 DG A 2 6.784 -0.838 -4.894 1.00 0.00 H new ATOM 0 H1 DG A 2 0.843 1.283 -3.579 1.00 0.00 H new ATOM 0 H21 DG A 2 1.888 1.054 -0.313 1.00 0.00 H new ATOM 0 H22 DG A 2 0.611 1.481 -1.456 1.00 0.00 H new ATOM 64 P DC A 3 8.940 -2.674 0.545 1.00 0.00 P ATOM 65 OP1 DC A 3 9.621 -2.265 1.793 1.00 0.00 O ATOM 66 OP2 DC A 3 9.552 -3.691 -0.332 1.00 0.00 O ATOM 67 O5' DC A 3 7.408 -3.057 0.828 1.00 0.00 O ATOM 68 C5' DC A 3 6.612 -2.375 1.783 1.00 0.00 C ATOM 69 C4' DC A 3 5.177 -2.908 1.735 1.00 0.00 C ATOM 70 O4' DC A 3 4.537 -2.493 0.553 1.00 0.00 O ATOM 71 C3' DC A 3 5.077 -4.432 1.789 1.00 0.00 C ATOM 72 O3' DC A 3 4.689 -4.861 3.079 1.00 0.00 O ATOM 73 C2' DC A 3 3.956 -4.744 0.807 1.00 0.00 C ATOM 74 C1' DC A 3 3.467 -3.386 0.335 1.00 0.00 C ATOM 75 N1 DC A 3 3.152 -3.380 -1.108 1.00 0.00 N ATOM 76 C2 DC A 3 1.846 -3.185 -1.570 1.00 0.00 C ATOM 77 O2 DC A 3 0.893 -3.134 -0.806 1.00 0.00 O ATOM 78 N3 DC A 3 1.603 -2.967 -2.884 1.00 0.00 N ATOM 79 C4 DC A 3 2.623 -2.990 -3.717 1.00 0.00 C ATOM 80 N4 DC A 3 2.383 -2.655 -4.953 1.00 0.00 N ATOM 81 C5 DC A 3 3.961 -3.234 -3.303 1.00 0.00 C ATOM 82 C6 DC A 3 4.187 -3.430 -1.991 1.00 0.00 C ATOM 0 H5' DC A 3 6.619 -1.304 1.579 1.00 0.00 H new ATOM 0 H5'' DC A 3 7.028 -2.512 2.781 1.00 0.00 H new ATOM 0 H4' DC A 3 4.698 -2.500 2.625 1.00 0.00 H new ATOM 0 H3' DC A 3 6.023 -4.921 1.557 1.00 0.00 H new ATOM 0 H2' DC A 3 4.316 -5.347 -0.027 1.00 0.00 H new ATOM 0 H2'' DC A 3 3.156 -5.308 1.286 1.00 0.00 H new ATOM 0 H1' DC A 3 2.557 -3.116 0.872 1.00 0.00 H new ATOM 0 H41 DC A 3 3.139 -2.657 -5.638 1.00 0.00 H new ATOM 0 H42 DC A 3 1.439 -2.391 -5.236 1.00 0.00 H new ATOM 0 H5 DC A 3 4.770 -3.261 -4.018 1.00 0.00 H new ATOM 0 H6 DC A 3 5.189 -3.627 -1.639 1.00 0.00 H new ATOM 94 P DT A 4 5.760 -5.378 4.173 1.00 0.00 P ATOM 95 OP1 DT A 4 7.014 -5.718 3.474 1.00 0.00 O ATOM 96 OP2 DT A 4 5.081 -6.416 4.971 1.00 0.00 O ATOM 97 O5' DT A 4 6.147 -4.122 5.139 1.00 0.00 O ATOM 98 C5' DT A 4 5.313 -3.001 5.420 1.00 0.00 C ATOM 99 C4' DT A 4 4.029 -3.249 6.219 1.00 0.00 C ATOM 100 O4' DT A 4 2.942 -3.469 5.381 1.00 0.00 O ATOM 101 C3' DT A 4 4.002 -4.370 7.254 1.00 0.00 C ATOM 102 O3' DT A 4 4.510 -4.028 8.530 1.00 0.00 O ATOM 103 C2' DT A 4 2.497 -4.565 7.379 1.00 0.00 C ATOM 104 C1' DT A 4 1.860 -3.788 6.236 1.00 0.00 C ATOM 105 N1 DT A 4 0.813 -4.565 5.545 1.00 0.00 N ATOM 106 C2 DT A 4 -0.382 -4.846 6.211 1.00 0.00 C ATOM 107 O2 DT A 4 -0.598 -4.563 7.384 1.00 0.00 O ATOM 108 N3 DT A 4 -1.352 -5.498 5.479 1.00 0.00 N ATOM 109 C4 DT A 4 -1.259 -5.835 4.142 1.00 0.00 C ATOM 110 O4 DT A 4 -2.224 -6.375 3.607 1.00 0.00 O ATOM 111 C5 DT A 4 0.016 -5.499 3.513 1.00 0.00 C ATOM 112 C7 DT A 4 0.263 -5.774 2.049 1.00 0.00 C ATOM 113 C6 DT A 4 1.004 -4.907 4.238 1.00 0.00 C ATOM 0 H5' DT A 4 5.034 -2.545 4.470 1.00 0.00 H new ATOM 0 H5'' DT A 4 5.909 -2.268 5.963 1.00 0.00 H new ATOM 0 H4' DT A 4 3.980 -2.319 6.786 1.00 0.00 H new ATOM 0 H3' DT A 4 4.614 -5.219 6.948 1.00 0.00 H new ATOM 0 H2' DT A 4 2.237 -5.622 7.321 1.00 0.00 H new ATOM 0 H2'' DT A 4 2.138 -4.201 8.342 1.00 0.00 H new ATOM 0 H1' DT A 4 1.340 -2.897 6.589 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.211 -5.753 5.966 1.00 0.00 H new ATOM 0 H71 DT A 4 0.961 -5.037 1.653 1.00 0.00 H new ATOM 0 H72 DT A 4 0.685 -6.772 1.932 1.00 0.00 H new ATOM 0 H73 DT A 4 -0.678 -5.712 1.503 1.00 0.00 H new ATOM 0 H6 DT A 4 1.956 -4.704 3.770 1.00 0.00 H new ATOM 126 P DT A 5 6.081 -4.039 8.881 1.00 0.00 P ATOM 127 OP1 DT A 5 6.799 -4.993 8.008 1.00 0.00 O ATOM 128 OP2 DT A 5 6.242 -4.110 10.348 1.00 0.00 O ATOM 129 O5' DT A 5 6.544 -2.590 8.389 1.00 0.00 O ATOM 130 C5' DT A 5 6.090 -1.424 9.039 1.00 0.00 C ATOM 131 C4' DT A 5 6.972 -0.245 8.615 1.00 0.00 C ATOM 132 O4' DT A 5 6.411 0.981 9.045 1.00 0.00 O ATOM 133 C3' DT A 5 8.373 -0.327 9.248 1.00 0.00 C ATOM 134 O3' DT A 5 9.448 0.010 8.391 1.00 0.00 O ATOM 135 C2' DT A 5 8.354 0.769 10.314 1.00 0.00 C ATOM 136 C1' DT A 5 6.911 1.288 10.337 1.00 0.00 C ATOM 137 N1 DT A 5 5.994 0.763 11.393 1.00 0.00 N ATOM 138 C2 DT A 5 4.709 1.323 11.431 1.00 0.00 C ATOM 139 O2 DT A 5 4.300 2.177 10.652 1.00 0.00 O ATOM 140 N3 DT A 5 3.868 0.899 12.432 1.00 0.00 N ATOM 141 C4 DT A 5 4.197 0.020 13.440 1.00 0.00 C ATOM 142 O4 DT A 5 3.350 -0.238 14.289 1.00 0.00 O ATOM 143 C5 DT A 5 5.556 -0.502 13.376 1.00 0.00 C ATOM 144 C7 DT A 5 6.053 -1.468 14.433 1.00 0.00 C ATOM 145 C6 DT A 5 6.396 -0.133 12.368 1.00 0.00 C ATOM 0 H5' DT A 5 6.130 -1.555 10.120 1.00 0.00 H new ATOM 0 H5'' DT A 5 5.049 -1.229 8.780 1.00 0.00 H new ATOM 0 H4' DT A 5 7.040 -0.293 7.528 1.00 0.00 H new ATOM 0 H3' DT A 5 8.539 -1.354 9.573 1.00 0.00 H new ATOM 0 H2' DT A 5 8.646 0.375 11.288 1.00 0.00 H new ATOM 0 H2'' DT A 5 9.055 1.567 10.070 1.00 0.00 H new ATOM 0 H1' DT A 5 6.941 2.347 10.593 1.00 0.00 H new ATOM 0 H3 DT A 5 2.917 1.268 12.428 1.00 0.00 H new ATOM 0 H71 DT A 5 6.798 -2.134 13.996 1.00 0.00 H new ATOM 0 H72 DT A 5 6.503 -0.909 15.254 1.00 0.00 H new ATOM 0 H73 DT A 5 5.217 -2.057 14.810 1.00 0.00 H new ATOM 0 H6 DT A 5 7.393 -0.547 12.330 1.00 0.00 H new ATOM 158 P DC A 6 9.820 -0.816 7.066 1.00 0.00 P ATOM 159 OP1 DC A 6 9.394 -2.231 7.209 1.00 0.00 O ATOM 160 OP2 DC A 6 11.209 -0.487 6.693 1.00 0.00 O ATOM 161 O5' DC A 6 8.835 -0.134 6.009 1.00 0.00 O ATOM 162 C5' DC A 6 8.954 -0.397 4.628 1.00 0.00 C ATOM 163 C4' DC A 6 7.822 0.278 3.860 1.00 0.00 C ATOM 164 O4' DC A 6 6.578 -0.275 4.204 1.00 0.00 O ATOM 165 C3' DC A 6 7.676 1.778 4.131 1.00 0.00 C ATOM 166 O3' DC A 6 8.611 2.655 3.502 1.00 0.00 O ATOM 167 C2' DC A 6 6.200 2.037 3.855 1.00 0.00 C ATOM 168 C1' DC A 6 5.601 0.628 3.738 1.00 0.00 C ATOM 169 N1 DC A 6 4.432 0.425 4.612 1.00 0.00 N ATOM 170 C2 DC A 6 3.256 -0.094 4.078 1.00 0.00 C ATOM 171 O2 DC A 6 3.154 -0.386 2.888 1.00 0.00 O ATOM 172 N3 DC A 6 2.197 -0.318 4.889 1.00 0.00 N ATOM 173 C4 DC A 6 2.297 -0.042 6.178 1.00 0.00 C ATOM 174 N4 DC A 6 1.260 -0.356 6.909 1.00 0.00 N ATOM 175 C5 DC A 6 3.499 0.418 6.785 1.00 0.00 C ATOM 176 C6 DC A 6 4.551 0.634 5.960 1.00 0.00 C ATOM 0 H5' DC A 6 8.931 -1.473 4.453 1.00 0.00 H new ATOM 0 H5'' DC A 6 9.916 -0.035 4.264 1.00 0.00 H new ATOM 0 H4' DC A 6 8.092 0.116 2.816 1.00 0.00 H new ATOM 0 H3' DC A 6 7.956 2.028 5.154 1.00 0.00 H new ATOM 0 H2' DC A 6 5.735 2.604 4.661 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.058 2.610 2.939 1.00 0.00 H new ATOM 0 H1' DC A 6 5.300 0.483 2.700 1.00 0.00 H new ATOM 0 H41 DC A 6 1.268 -0.171 7.912 1.00 0.00 H new ATOM 0 H42 DC A 6 0.442 -0.786 6.476 1.00 0.00 H new ATOM 0 H5 DC A 6 3.569 0.586 7.850 1.00 0.00 H new ATOM 0 H6 DC A 6 5.491 0.974 6.369 1.00 0.00 H new ATOM 188 P DG A 7 8.990 2.701 1.926 1.00 0.00 P ATOM 189 OP1 DG A 7 9.343 1.337 1.468 1.00 0.00 O ATOM 190 OP2 DG A 7 9.970 3.784 1.735 1.00 0.00 O ATOM 191 O5' DG A 7 7.610 3.140 1.252 1.00 0.00 O ATOM 192 C5' DG A 7 6.961 2.406 0.225 1.00 0.00 C ATOM 193 C4' DG A 7 5.551 2.958 -0.037 1.00 0.00 C ATOM 194 O4' DG A 7 4.587 2.334 0.782 1.00 0.00 O ATOM 195 C3' DG A 7 5.384 4.444 0.310 1.00 0.00 C ATOM 196 O3' DG A 7 6.079 5.356 -0.539 1.00 0.00 O ATOM 197 C2' DG A 7 3.875 4.587 0.457 1.00 0.00 C ATOM 198 C1' DG A 7 3.430 3.148 0.728 1.00 0.00 C ATOM 199 N9 DG A 7 2.739 3.036 2.018 1.00 0.00 N ATOM 200 C8 DG A 7 3.196 3.438 3.243 1.00 0.00 C ATOM 201 N7 DG A 7 2.379 3.184 4.226 1.00 0.00 N ATOM 202 C5 DG A 7 1.271 2.613 3.585 1.00 0.00 C ATOM 203 C6 DG A 7 0.014 2.152 4.093 1.00 0.00 C ATOM 204 O6 DG A 7 -0.367 2.098 5.256 1.00 0.00 O ATOM 205 N1 DG A 7 -0.873 1.754 3.103 1.00 0.00 N ATOM 206 C2 DG A 7 -0.563 1.683 1.780 1.00 0.00 C ATOM 207 N2 DG A 7 -1.513 1.262 0.962 1.00 0.00 N ATOM 208 N3 DG A 7 0.617 2.064 1.289 1.00 0.00 N ATOM 209 C4 DG A 7 1.483 2.536 2.233 1.00 0.00 C ATOM 0 H5' DG A 7 6.898 1.355 0.508 1.00 0.00 H new ATOM 0 H5'' DG A 7 7.551 2.455 -0.690 1.00 0.00 H new ATOM 0 H4' DG A 7 5.414 2.776 -1.103 1.00 0.00 H new ATOM 0 H3' DG A 7 5.886 4.742 1.230 1.00 0.00 H new ATOM 0 H2' DG A 7 3.609 5.255 1.276 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.416 4.990 -0.446 1.00 0.00 H new ATOM 0 H1' DG A 7 2.748 2.839 -0.064 1.00 0.00 H new ATOM 0 H8 DG A 7 4.150 3.923 3.383 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.819 1.498 3.385 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.330 1.191 -0.039 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.429 1.008 1.332 1.00 0.00 H new ATOM 221 P DT A 8 5.616 5.817 -2.016 1.00 0.00 P ATOM 222 OP1 DT A 8 6.809 6.304 -2.740 1.00 0.00 O ATOM 223 OP2 DT A 8 4.437 6.698 -1.887 1.00 0.00 O ATOM 224 O5' DT A 8 5.111 4.459 -2.730 1.00 0.00 O ATOM 225 C5' DT A 8 5.954 3.615 -3.505 1.00 0.00 C ATOM 226 C4' DT A 8 5.431 3.509 -4.942 1.00 0.00 C ATOM 227 O4' DT A 8 4.127 2.960 -4.953 1.00 0.00 O ATOM 228 C3' DT A 8 5.360 4.867 -5.637 1.00 0.00 C ATOM 229 O3' DT A 8 6.512 5.086 -6.429 1.00 0.00 O ATOM 230 C2' DT A 8 4.134 4.744 -6.526 1.00 0.00 C ATOM 231 C1' DT A 8 3.335 3.572 -5.960 1.00 0.00 C ATOM 232 N1 DT A 8 2.061 4.069 -5.389 1.00 0.00 N ATOM 233 C2 DT A 8 0.965 4.222 -6.240 1.00 0.00 C ATOM 234 O2 DT A 8 0.974 3.915 -7.428 1.00 0.00 O ATOM 235 N3 DT A 8 -0.167 4.787 -5.695 1.00 0.00 N ATOM 236 C4 DT A 8 -0.309 5.208 -4.388 1.00 0.00 C ATOM 237 O4 DT A 8 -1.392 5.664 -4.032 1.00 0.00 O ATOM 238 C5 DT A 8 0.887 5.048 -3.567 1.00 0.00 C ATOM 239 C7 DT A 8 0.908 5.469 -2.116 1.00 0.00 C ATOM 240 C6 DT A 8 2.011 4.495 -4.087 1.00 0.00 C ATOM 0 H5' DT A 8 6.000 2.624 -3.054 1.00 0.00 H new ATOM 0 H5'' DT A 8 6.970 4.010 -3.509 1.00 0.00 H new ATOM 0 H4' DT A 8 6.134 2.869 -5.475 1.00 0.00 H new ATOM 0 H3' DT A 8 5.305 5.698 -4.934 1.00 0.00 H new ATOM 0 H2' DT A 8 3.546 5.662 -6.513 1.00 0.00 H new ATOM 0 H2'' DT A 8 4.418 4.561 -7.562 1.00 0.00 H new ATOM 0 HO3' DT A 8 6.446 5.960 -6.867 1.00 0.00 H new ATOM 0 H1' DT A 8 3.097 2.849 -6.740 1.00 0.00 H new ATOM 0 H3 DT A 8 -0.971 4.905 -6.311 1.00 0.00 H new ATOM 0 H71 DT A 8 0.224 6.305 -1.970 1.00 0.00 H new ATOM 0 H72 DT A 8 0.598 4.632 -1.490 1.00 0.00 H new ATOM 0 H73 DT A 8 1.918 5.774 -1.840 1.00 0.00 H new ATOM 0 H6 DT A 8 2.885 4.388 -3.462 1.00 0.00 H new TER 254 DT A 8 ATOM 255 O5' DT B 9 -7.360 -3.402 -12.754 1.00 0.00 O ATOM 256 C5' DT B 9 -7.188 -2.637 -11.565 1.00 0.00 C ATOM 257 C4' DT B 9 -6.677 -3.561 -10.467 1.00 0.00 C ATOM 258 O4' DT B 9 -5.433 -4.085 -10.894 1.00 0.00 O ATOM 259 C3' DT B 9 -6.417 -2.812 -9.159 1.00 0.00 C ATOM 260 O3' DT B 9 -6.765 -3.617 -8.058 1.00 0.00 O ATOM 261 C2' DT B 9 -4.918 -2.671 -9.152 1.00 0.00 C ATOM 262 C1' DT B 9 -4.501 -3.971 -9.842 1.00 0.00 C ATOM 263 N1 DT B 9 -3.093 -3.962 -10.323 1.00 0.00 N ATOM 264 C2 DT B 9 -2.716 -4.748 -11.429 1.00 0.00 C ATOM 265 O2 DT B 9 -3.459 -5.517 -12.044 1.00 0.00 O ATOM 266 N3 DT B 9 -1.410 -4.635 -11.848 1.00 0.00 N ATOM 267 C4 DT B 9 -0.427 -3.891 -11.233 1.00 0.00 C ATOM 268 O4 DT B 9 0.698 -3.899 -11.718 1.00 0.00 O ATOM 269 C5 DT B 9 -0.867 -3.163 -10.049 1.00 0.00 C ATOM 270 C7 DT B 9 0.093 -2.297 -9.266 1.00 0.00 C ATOM 271 C6 DT B 9 -2.156 -3.227 -9.632 1.00 0.00 C ATOM 0 H5' DT B 9 -8.132 -2.181 -11.268 1.00 0.00 H new ATOM 0 H5'' DT B 9 -6.482 -1.825 -11.736 1.00 0.00 H new ATOM 0 H4' DT B 9 -7.431 -4.328 -10.290 1.00 0.00 H new ATOM 0 H3' DT B 9 -6.975 -1.878 -9.093 1.00 0.00 H new ATOM 0 H2' DT B 9 -4.584 -1.789 -9.698 1.00 0.00 H new ATOM 0 H2'' DT B 9 -4.516 -2.592 -8.142 1.00 0.00 H new ATOM 0 HO5' DT B 9 -6.715 -4.140 -12.765 1.00 0.00 H new ATOM 0 H1' DT B 9 -4.515 -4.823 -9.162 1.00 0.00 H new ATOM 0 H3 DT B 9 -1.146 -5.148 -12.689 1.00 0.00 H new ATOM 0 H71 DT B 9 -0.453 -1.474 -8.805 1.00 0.00 H new ATOM 0 H72 DT B 9 0.572 -2.894 -8.490 1.00 0.00 H new ATOM 0 H73 DT B 9 0.853 -1.898 -9.937 1.00 0.00 H new ATOM 0 H6 DT B 9 -2.453 -2.692 -8.742 1.00 0.00 H new ATOM 285 P DG B 10 -8.262 -3.649 -7.496 1.00 0.00 P ATOM 286 OP1 DG B 10 -8.513 -5.037 -7.061 1.00 0.00 O ATOM 287 OP2 DG B 10 -9.137 -2.986 -8.489 1.00 0.00 O ATOM 288 O5' DG B 10 -8.110 -2.712 -6.202 1.00 0.00 O ATOM 289 C5' DG B 10 -7.918 -1.311 -6.295 1.00 0.00 C ATOM 290 C4' DG B 10 -7.762 -0.779 -4.868 1.00 0.00 C ATOM 291 O4' DG B 10 -6.556 -1.222 -4.274 1.00 0.00 O ATOM 292 C3' DG B 10 -7.824 0.734 -4.720 1.00 0.00 C ATOM 293 O3' DG B 10 -8.411 1.028 -3.460 1.00 0.00 O ATOM 294 C2' DG B 10 -6.352 1.078 -4.767 1.00 0.00 C ATOM 295 C1' DG B 10 -5.672 -0.135 -4.132 1.00 0.00 C ATOM 296 N9 DG B 10 -4.447 -0.520 -4.836 1.00 0.00 N ATOM 297 C8 DG B 10 -4.283 -0.611 -6.183 1.00 0.00 C ATOM 298 N7 DG B 10 -3.097 -1.000 -6.567 1.00 0.00 N ATOM 299 C5 DG B 10 -2.439 -1.236 -5.349 1.00 0.00 C ATOM 300 C6 DG B 10 -1.126 -1.741 -5.051 1.00 0.00 C ATOM 301 O6 DG B 10 -0.214 -2.079 -5.797 1.00 0.00 O ATOM 302 N1 DG B 10 -0.889 -1.884 -3.703 1.00 0.00 N ATOM 303 C2 DG B 10 -1.769 -1.531 -2.736 1.00 0.00 C ATOM 304 N2 DG B 10 -1.376 -1.743 -1.509 1.00 0.00 N ATOM 305 N3 DG B 10 -2.981 -1.029 -2.955 1.00 0.00 N ATOM 306 C4 DG B 10 -3.265 -0.931 -4.287 1.00 0.00 C ATOM 0 H5' DG B 10 -8.766 -0.839 -6.791 1.00 0.00 H new ATOM 0 H5'' DG B 10 -7.033 -1.083 -6.889 1.00 0.00 H new ATOM 0 H4' DG B 10 -8.634 -1.189 -4.358 1.00 0.00 H new ATOM 0 H3' DG B 10 -8.410 1.280 -5.459 1.00 0.00 H new ATOM 0 H2' DG B 10 -6.011 1.237 -5.790 1.00 0.00 H new ATOM 0 H2'' DG B 10 -6.137 1.992 -4.213 1.00 0.00 H new ATOM 0 H1' DG B 10 -5.428 0.115 -3.100 1.00 0.00 H new ATOM 0 H8 DG B 10 -5.073 -0.379 -6.882 1.00 0.00 H new ATOM 0 H1 DG B 10 0.005 -2.281 -3.414 1.00 0.00 H new ATOM 0 H21 DG B 10 -1.987 -1.501 -0.729 1.00 0.00 H new ATOM 0 H22 DG B 10 -0.458 -2.150 -1.331 1.00 0.00 H new ATOM 318 P DC B 11 -8.638 2.538 -2.933 1.00 0.00 P ATOM 319 OP1 DC B 11 -9.777 2.557 -1.992 1.00 0.00 O ATOM 320 OP2 DC B 11 -8.624 3.433 -4.111 1.00 0.00 O ATOM 321 O5' DC B 11 -7.282 2.804 -2.103 1.00 0.00 O ATOM 322 C5' DC B 11 -7.046 2.204 -0.837 1.00 0.00 C ATOM 323 C4' DC B 11 -5.701 2.686 -0.278 1.00 0.00 C ATOM 324 O4' DC B 11 -4.681 2.097 -1.050 1.00 0.00 O ATOM 325 C3' DC B 11 -5.514 4.208 -0.330 1.00 0.00 C ATOM 326 O3' DC B 11 -5.491 4.798 0.954 1.00 0.00 O ATOM 327 C2' DC B 11 -4.111 4.361 -0.892 1.00 0.00 C ATOM 328 C1' DC B 11 -3.566 2.949 -0.998 1.00 0.00 C ATOM 329 N1 DC B 11 -2.809 2.769 -2.254 1.00 0.00 N ATOM 330 C2 DC B 11 -1.441 2.506 -2.245 1.00 0.00 C ATOM 331 O2 DC B 11 -0.786 2.606 -1.225 1.00 0.00 O ATOM 332 N3 DC B 11 -0.797 2.068 -3.350 1.00 0.00 N ATOM 333 C4 DC B 11 -1.500 1.951 -4.454 1.00 0.00 C ATOM 334 N4 DC B 11 -0.907 1.414 -5.481 1.00 0.00 N ATOM 335 C5 DC B 11 -2.876 2.295 -4.539 1.00 0.00 C ATOM 336 C6 DC B 11 -3.498 2.718 -3.425 1.00 0.00 C ATOM 0 H5' DC B 11 -7.042 1.118 -0.934 1.00 0.00 H new ATOM 0 H5'' DC B 11 -7.850 2.460 -0.147 1.00 0.00 H new ATOM 0 H4' DC B 11 -5.667 2.398 0.773 1.00 0.00 H new ATOM 0 H3' DC B 11 -6.321 4.675 -0.895 1.00 0.00 H new ATOM 0 H2' DC B 11 -4.129 4.850 -1.866 1.00 0.00 H new ATOM 0 H2'' DC B 11 -3.490 4.974 -0.239 1.00 0.00 H new ATOM 0 H1' DC B 11 -2.906 2.741 -0.156 1.00 0.00 H new ATOM 0 H41 DC B 11 -1.412 1.302 -6.360 1.00 0.00 H new ATOM 0 H42 DC B 11 0.062 1.105 -5.406 1.00 0.00 H new ATOM 0 H5 DC B 11 -3.409 2.219 -5.475 1.00 0.00 H new ATOM 0 H6 DC B 11 -4.536 3.015 -3.460 1.00 0.00 H new ATOM 348 P DT B 12 -6.813 5.093 1.813 1.00 0.00 P ATOM 349 OP1 DT B 12 -7.845 4.051 1.616 1.00 0.00 O ATOM 350 OP2 DT B 12 -7.122 6.522 1.592 1.00 0.00 O ATOM 351 O5' DT B 12 -6.178 4.916 3.259 1.00 0.00 O ATOM 352 C5' DT B 12 -6.012 3.639 3.857 1.00 0.00 C ATOM 353 C4' DT B 12 -4.949 3.733 4.956 1.00 0.00 C ATOM 354 O4' DT B 12 -3.683 3.689 4.368 1.00 0.00 O ATOM 355 C3' DT B 12 -4.986 4.999 5.815 1.00 0.00 C ATOM 356 O3' DT B 12 -5.767 4.933 7.001 1.00 0.00 O ATOM 357 C2' DT B 12 -3.531 5.089 6.226 1.00 0.00 C ATOM 358 C1' DT B 12 -2.743 4.181 5.299 1.00 0.00 C ATOM 359 N1 DT B 12 -1.652 4.921 4.621 1.00 0.00 N ATOM 360 C2 DT B 12 -0.546 5.343 5.364 1.00 0.00 C ATOM 361 O2 DT B 12 -0.473 5.254 6.586 1.00 0.00 O ATOM 362 N3 DT B 12 0.487 5.916 4.655 1.00 0.00 N ATOM 363 C4 DT B 12 0.531 6.076 3.285 1.00 0.00 C ATOM 364 O4 DT B 12 1.538 6.563 2.778 1.00 0.00 O ATOM 365 C5 DT B 12 -0.668 5.633 2.580 1.00 0.00 C ATOM 366 C7 DT B 12 -0.741 5.694 1.073 1.00 0.00 C ATOM 367 C6 DT B 12 -1.718 5.107 3.268 1.00 0.00 C ATOM 0 H5' DT B 12 -5.712 2.908 3.106 1.00 0.00 H new ATOM 0 H5'' DT B 12 -6.957 3.295 4.277 1.00 0.00 H new ATOM 0 H4' DT B 12 -5.165 2.893 5.616 1.00 0.00 H new ATOM 0 H3' DT B 12 -5.429 5.827 5.261 1.00 0.00 H new ATOM 0 H2' DT B 12 -3.174 6.116 6.153 1.00 0.00 H new ATOM 0 H2'' DT B 12 -3.405 4.781 7.264 1.00 0.00 H new ATOM 0 H1' DT B 12 -2.258 3.372 5.846 1.00 0.00 H new ATOM 0 H3 DT B 12 1.289 6.251 5.189 1.00 0.00 H new ATOM 0 H71 DT B 12 -1.390 4.898 0.708 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.143 6.660 0.767 1.00 0.00 H new ATOM 0 H73 DT B 12 0.258 5.568 0.655 1.00 0.00 H new ATOM 0 H6 DT B 12 -2.617 4.832 2.737 1.00 0.00 H new ATOM 380 P DT B 13 -7.355 5.172 6.976 1.00 0.00 P ATOM 381 OP1 DT B 13 -7.651 6.230 5.998 1.00 0.00 O ATOM 382 OP2 DT B 13 -7.725 5.356 8.399 1.00 0.00 O ATOM 383 O5' DT B 13 -7.926 3.771 6.487 1.00 0.00 O ATOM 384 C5' DT B 13 -7.761 2.621 7.281 1.00 0.00 C ATOM 385 C4' DT B 13 -8.719 1.562 6.760 1.00 0.00 C ATOM 386 O4' DT B 13 -8.407 0.360 7.415 1.00 0.00 O ATOM 387 C3' DT B 13 -10.192 1.886 7.071 1.00 0.00 C ATOM 388 O3' DT B 13 -11.087 1.293 6.164 1.00 0.00 O ATOM 389 C2' DT B 13 -10.480 1.197 8.388 1.00 0.00 C ATOM 390 C1' DT B 13 -9.370 0.145 8.425 1.00 0.00 C ATOM 391 N1 DT B 13 -8.657 0.050 9.708 1.00 0.00 N ATOM 392 C2 DT B 13 -8.228 -1.225 10.065 1.00 0.00 C ATOM 393 O2 DT B 13 -8.397 -2.230 9.382 1.00 0.00 O ATOM 394 N3 DT B 13 -7.584 -1.336 11.269 1.00 0.00 N ATOM 395 C4 DT B 13 -7.324 -0.301 12.135 1.00 0.00 C ATOM 396 O4 DT B 13 -6.725 -0.550 13.174 1.00 0.00 O ATOM 397 C5 DT B 13 -7.785 1.011 11.697 1.00 0.00 C ATOM 398 C7 DT B 13 -7.545 2.220 12.579 1.00 0.00 C ATOM 399 C6 DT B 13 -8.421 1.150 10.504 1.00 0.00 C ATOM 0 H5' DT B 13 -7.970 2.845 8.327 1.00 0.00 H new ATOM 0 H5'' DT B 13 -6.732 2.265 7.230 1.00 0.00 H new ATOM 0 H4' DT B 13 -8.608 1.507 5.677 1.00 0.00 H new ATOM 0 H3' DT B 13 -10.321 2.968 7.049 1.00 0.00 H new ATOM 0 H2' DT B 13 -10.423 1.884 9.232 1.00 0.00 H new ATOM 0 H2'' DT B 13 -11.473 0.748 8.408 1.00 0.00 H new ATOM 0 H1' DT B 13 -9.903 -0.792 8.265 1.00 0.00 H new ATOM 0 H3 DT B 13 -7.271 -2.266 11.546 1.00 0.00 H new ATOM 0 H71 DT B 13 -7.440 3.109 11.957 1.00 0.00 H new ATOM 0 H72 DT B 13 -8.389 2.349 13.257 1.00 0.00 H new ATOM 0 H73 DT B 13 -6.633 2.073 13.158 1.00 0.00 H new ATOM 0 H6 DT B 13 -8.743 2.128 10.178 1.00 0.00 H new ATOM 412 P DC B 14 -11.367 1.892 4.706 1.00 0.00 P ATOM 413 OP1 DC B 14 -11.220 3.361 4.710 1.00 0.00 O ATOM 414 OP2 DC B 14 -12.591 1.263 4.184 1.00 0.00 O ATOM 415 O5' DC B 14 -10.133 1.373 3.827 1.00 0.00 O ATOM 416 C5' DC B 14 -9.910 -0.010 3.679 1.00 0.00 C ATOM 417 C4' DC B 14 -8.631 -0.277 2.897 1.00 0.00 C ATOM 418 O4' DC B 14 -7.511 0.363 3.463 1.00 0.00 O ATOM 419 C3' DC B 14 -8.317 -1.779 2.943 1.00 0.00 C ATOM 420 O3' DC B 14 -8.790 -2.604 1.881 1.00 0.00 O ATOM 421 C2' DC B 14 -6.803 -1.825 3.073 1.00 0.00 C ATOM 422 C1' DC B 14 -6.380 -0.357 3.022 1.00 0.00 C ATOM 423 N1 DC B 14 -5.291 -0.064 3.972 1.00 0.00 N ATOM 424 C2 DC B 14 -4.061 0.420 3.521 1.00 0.00 C ATOM 425 O2 DC B 14 -3.834 0.653 2.332 1.00 0.00 O ATOM 426 N3 DC B 14 -3.082 0.665 4.425 1.00 0.00 N ATOM 427 C4 DC B 14 -3.305 0.445 5.711 1.00 0.00 C ATOM 428 N4 DC B 14 -2.333 0.740 6.530 1.00 0.00 N ATOM 429 C5 DC B 14 -4.562 0.018 6.223 1.00 0.00 C ATOM 430 C6 DC B 14 -5.531 -0.226 5.312 1.00 0.00 C ATOM 0 H5' DC B 14 -10.756 -0.465 3.165 1.00 0.00 H new ATOM 0 H5'' DC B 14 -9.844 -0.478 4.661 1.00 0.00 H new ATOM 0 H4' DC B 14 -8.802 0.096 1.887 1.00 0.00 H new ATOM 0 H3' DC B 14 -8.869 -2.223 3.771 1.00 0.00 H new ATOM 0 H2' DC B 14 -6.497 -2.296 4.007 1.00 0.00 H new ATOM 0 H2'' DC B 14 -6.351 -2.399 2.264 1.00 0.00 H new ATOM 0 H1' DC B 14 -6.036 -0.102 2.019 1.00 0.00 H new ATOM 0 H41 DC B 14 -2.448 0.591 7.533 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.458 1.119 6.168 1.00 0.00 H new ATOM 0 H5 DC B 14 -4.733 -0.105 7.282 1.00 0.00 H new ATOM 0 H6 DC B 14 -6.506 -0.552 5.644 1.00 0.00 H new ATOM 442 P DG B 15 -8.816 -2.177 0.322 1.00 0.00 P ATOM 443 OP1 DG B 15 -9.773 -1.068 0.157 1.00 0.00 O ATOM 444 OP2 DG B 15 -8.990 -3.420 -0.469 1.00 0.00 O ATOM 445 O5' DG B 15 -7.325 -1.607 0.081 1.00 0.00 O ATOM 446 C5' DG B 15 -6.589 -1.857 -1.105 1.00 0.00 C ATOM 447 C4' DG B 15 -5.386 -2.782 -0.880 1.00 0.00 C ATOM 448 O4' DG B 15 -4.445 -2.210 0.006 1.00 0.00 O ATOM 449 C3' DG B 15 -5.719 -4.120 -0.225 1.00 0.00 C ATOM 450 O3' DG B 15 -6.476 -4.996 -1.048 1.00 0.00 O ATOM 451 C2' DG B 15 -4.344 -4.581 0.258 1.00 0.00 C ATOM 452 C1' DG B 15 -3.594 -3.258 0.431 1.00 0.00 C ATOM 453 N9 DG B 15 -3.157 -2.992 1.813 1.00 0.00 N ATOM 454 C8 DG B 15 -3.806 -3.250 2.992 1.00 0.00 C ATOM 455 N7 DG B 15 -3.153 -2.885 4.059 1.00 0.00 N ATOM 456 C5 DG B 15 -1.948 -2.395 3.547 1.00 0.00 C ATOM 457 C6 DG B 15 -0.772 -1.895 4.197 1.00 0.00 C ATOM 458 O6 DG B 15 -0.557 -1.739 5.395 1.00 0.00 O ATOM 459 N1 DG B 15 0.252 -1.586 3.317 1.00 0.00 N ATOM 460 C2 DG B 15 0.149 -1.662 1.958 1.00 0.00 C ATOM 461 N2 DG B 15 1.210 -1.327 1.250 1.00 0.00 N ATOM 462 N3 DG B 15 -0.936 -2.109 1.331 1.00 0.00 N ATOM 463 C4 DG B 15 -1.946 -2.466 2.175 1.00 0.00 C ATOM 0 H5' DG B 15 -6.240 -0.910 -1.516 1.00 0.00 H new ATOM 0 H5'' DG B 15 -7.249 -2.303 -1.849 1.00 0.00 H new ATOM 0 H4' DG B 15 -5.011 -2.928 -1.893 1.00 0.00 H new ATOM 0 H3' DG B 15 -6.422 -4.070 0.607 1.00 0.00 H new ATOM 0 H2' DG B 15 -4.408 -5.137 1.193 1.00 0.00 H new ATOM 0 H2'' DG B 15 -3.856 -5.232 -0.467 1.00 0.00 H new ATOM 0 H1' DG B 15 -2.686 -3.323 -0.168 1.00 0.00 H new ATOM 0 H8 DG B 15 -4.779 -3.717 3.033 1.00 0.00 H new ATOM 0 H1 DG B 15 1.142 -1.281 3.711 1.00 0.00 H new ATOM 0 H21 DG B 15 1.177 -1.369 0.231 1.00 0.00 H new ATOM 0 H22 DG B 15 2.063 -1.026 1.721 1.00 0.00 H new ATOM 475 P DT B 16 -5.909 -6.026 -2.146 1.00 0.00 P ATOM 476 OP1 DT B 16 -7.142 -6.405 -2.874 1.00 0.00 O ATOM 477 OP2 DT B 16 -5.109 -7.057 -1.462 1.00 0.00 O ATOM 478 O5' DT B 16 -4.950 -5.184 -3.133 1.00 0.00 O ATOM 479 C5' DT B 16 -5.447 -4.356 -4.178 1.00 0.00 C ATOM 480 C4' DT B 16 -4.586 -4.494 -5.436 1.00 0.00 C ATOM 481 O4' DT B 16 -3.285 -4.008 -5.180 1.00 0.00 O ATOM 482 C3' DT B 16 -4.454 -5.946 -5.908 1.00 0.00 C ATOM 483 O3' DT B 16 -5.346 -6.257 -6.967 1.00 0.00 O ATOM 484 C2' DT B 16 -3.026 -6.016 -6.427 1.00 0.00 C ATOM 485 C1' DT B 16 -2.324 -4.776 -5.880 1.00 0.00 C ATOM 486 N1 DT B 16 -1.233 -5.183 -4.972 1.00 0.00 N ATOM 487 C2 DT B 16 0.009 -5.466 -5.534 1.00 0.00 C ATOM 488 O2 DT B 16 0.232 -5.401 -6.737 1.00 0.00 O ATOM 489 N3 DT B 16 0.997 -5.883 -4.671 1.00 0.00 N ATOM 490 C4 DT B 16 0.850 -6.067 -3.310 1.00 0.00 C ATOM 491 O4 DT B 16 1.835 -6.417 -2.665 1.00 0.00 O ATOM 492 C5 DT B 16 -0.496 -5.819 -2.800 1.00 0.00 C ATOM 493 C7 DT B 16 -0.839 -6.010 -1.341 1.00 0.00 C ATOM 494 C6 DT B 16 -1.482 -5.397 -3.638 1.00 0.00 C ATOM 0 H5' DT B 16 -5.457 -3.316 -3.851 1.00 0.00 H new ATOM 0 H5'' DT B 16 -6.478 -4.629 -4.405 1.00 0.00 H new ATOM 0 H4' DT B 16 -5.085 -3.918 -6.216 1.00 0.00 H new ATOM 0 H3' DT B 16 -4.685 -6.648 -5.106 1.00 0.00 H new ATOM 0 H2' DT B 16 -2.531 -6.927 -6.089 1.00 0.00 H new ATOM 0 H2'' DT B 16 -3.006 -6.028 -7.517 1.00 0.00 H new ATOM 0 HO3' DT B 16 -5.808 -5.442 -7.255 1.00 0.00 H new ATOM 0 H1' DT B 16 -1.893 -4.188 -6.690 1.00 0.00 H new ATOM 0 H3 DT B 16 1.916 -6.072 -5.071 1.00 0.00 H new ATOM 0 H71 DT B 16 -0.208 -6.792 -0.918 1.00 0.00 H new ATOM 0 H72 DT B 16 -0.671 -5.077 -0.803 1.00 0.00 H new ATOM 0 H73 DT B 16 -1.886 -6.298 -1.248 1.00 0.00 H new ATOM 0 H6 DT B 16 -2.475 -5.228 -3.248 1.00 0.00 H new TER 508 DT B 16