USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 188 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 DT C7 :methyl -30:sc=-0.00565 (180deg=-0.00765) USER MOD Set 1.2: B 16 DT C7 :methyl -30:sc= -0.177 (180deg=-0.694) USER MOD Set 2.1: A 8 DT C7 :methyl -30:sc= -0.0674 (180deg=-0.323) USER MOD Set 2.2: B 12 DT C7 :methyl 150:sc= -0.0615 (180deg=-0.0615) USER MOD Set 3.1: A 1 DT C7 :methyl -30:sc= 0 (180deg=0) USER MOD Set 3.2: B 9 DT C7 :methyl -30:sc= -0.276 (180deg=-0.28) USER MOD Single : A 1 DT O5' : rot 180:sc= 0 USER MOD Single : A 5 DT C7 :methyl -30:sc= -0.25 (180deg=-1.19) USER MOD Single : A 8 DT O3' : rot 180:sc= 0 USER MOD Single : B 9 DT O5' : rot 180:sc= 0 USER MOD Single : B 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 16 DT O3' : rot 180:sc= -0.307 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 7.907 -5.703 -6.843 1.00 0.00 O ATOM 2 C5' DT A 1 8.983 -5.265 -7.658 1.00 0.00 C ATOM 3 C4' DT A 1 8.724 -3.899 -8.273 1.00 0.00 C ATOM 4 O4' DT A 1 7.693 -3.991 -9.223 1.00 0.00 O ATOM 5 C3' DT A 1 8.281 -2.909 -7.206 1.00 0.00 C ATOM 6 O3' DT A 1 8.995 -1.714 -7.341 1.00 0.00 O ATOM 7 C2' DT A 1 6.873 -2.598 -7.614 1.00 0.00 C ATOM 8 C1' DT A 1 6.964 -2.800 -9.126 1.00 0.00 C ATOM 9 N1 DT A 1 5.629 -2.890 -9.767 1.00 0.00 N ATOM 10 C2 DT A 1 5.463 -3.604 -10.962 1.00 0.00 C ATOM 11 O2 DT A 1 6.323 -4.254 -11.542 1.00 0.00 O ATOM 12 N3 DT A 1 4.218 -3.523 -11.539 1.00 0.00 N ATOM 13 C4 DT A 1 3.156 -2.765 -11.089 1.00 0.00 C ATOM 14 O4 DT A 1 2.135 -2.741 -11.766 1.00 0.00 O ATOM 15 C5 DT A 1 3.408 -2.046 -9.855 1.00 0.00 C ATOM 16 C7 DT A 1 2.414 -1.110 -9.239 1.00 0.00 C ATOM 17 C6 DT A 1 4.613 -2.117 -9.254 1.00 0.00 C ATOM 0 H5' DT A 1 9.153 -5.992 -8.452 1.00 0.00 H new ATOM 0 H5'' DT A 1 9.894 -5.225 -7.062 1.00 0.00 H new ATOM 0 H4' DT A 1 9.649 -3.560 -8.738 1.00 0.00 H new ATOM 0 H3' DT A 1 8.411 -3.297 -6.196 1.00 0.00 H new ATOM 0 H2' DT A 1 6.150 -3.269 -7.150 1.00 0.00 H new ATOM 0 H2'' DT A 1 6.581 -1.582 -7.349 1.00 0.00 H new ATOM 0 HO5' DT A 1 8.117 -6.585 -6.471 1.00 0.00 H new ATOM 0 H1' DT A 1 7.433 -1.966 -9.648 1.00 0.00 H new ATOM 0 H3 DT A 1 4.064 -4.077 -12.382 1.00 0.00 H new ATOM 0 H71 DT A 1 1.806 -0.658 -10.022 1.00 0.00 H new ATOM 0 H72 DT A 1 1.771 -1.662 -8.553 1.00 0.00 H new ATOM 0 H73 DT A 1 2.941 -0.328 -8.692 1.00 0.00 H new ATOM 0 H6 DT A 1 4.785 -1.554 -8.349 1.00 0.00 H new ATOM 31 P DG A 2 10.119 -1.349 -6.286 1.00 0.00 P ATOM 32 OP1 DG A 2 10.757 -0.099 -6.745 1.00 0.00 O ATOM 33 OP2 DG A 2 10.918 -2.558 -5.995 1.00 0.00 O ATOM 34 O5' DG A 2 9.217 -1.030 -4.999 1.00 0.00 O ATOM 35 C5' DG A 2 9.656 -0.063 -4.073 1.00 0.00 C ATOM 36 C4' DG A 2 8.944 -0.171 -2.729 1.00 0.00 C ATOM 37 O4' DG A 2 7.667 0.419 -2.776 1.00 0.00 O ATOM 38 C3' DG A 2 8.839 -1.595 -2.195 1.00 0.00 C ATOM 39 O3' DG A 2 9.024 -1.578 -0.783 1.00 0.00 O ATOM 40 C2' DG A 2 7.415 -1.914 -2.602 1.00 0.00 C ATOM 41 C1' DG A 2 6.709 -0.565 -2.479 1.00 0.00 C ATOM 42 N9 DG A 2 5.682 -0.379 -3.501 1.00 0.00 N ATOM 43 C8 DG A 2 5.842 -0.567 -4.834 1.00 0.00 C ATOM 44 N7 DG A 2 4.787 -0.315 -5.560 1.00 0.00 N ATOM 45 C5 DG A 2 3.879 0.175 -4.607 1.00 0.00 C ATOM 46 C6 DG A 2 2.544 0.693 -4.738 1.00 0.00 C ATOM 47 O6 DG A 2 1.835 0.806 -5.734 1.00 0.00 O ATOM 48 N1 DG A 2 2.006 1.115 -3.540 1.00 0.00 N ATOM 49 C2 DG A 2 2.631 0.992 -2.340 1.00 0.00 C ATOM 50 N2 DG A 2 1.960 1.393 -1.295 1.00 0.00 N ATOM 51 N3 DG A 2 3.847 0.488 -2.163 1.00 0.00 N ATOM 52 C4 DG A 2 4.426 0.124 -3.342 1.00 0.00 C ATOM 0 H5' DG A 2 9.493 0.932 -4.487 1.00 0.00 H new ATOM 0 H5'' DG A 2 10.730 -0.172 -3.921 1.00 0.00 H new ATOM 0 H4' DG A 2 9.574 0.379 -2.030 1.00 0.00 H new ATOM 0 H3' DG A 2 9.568 -2.318 -2.561 1.00 0.00 H new ATOM 0 H2' DG A 2 7.364 -2.304 -3.618 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.968 -2.664 -1.950 1.00 0.00 H new ATOM 0 H1' DG A 2 6.267 -0.509 -1.484 1.00 0.00 H new ATOM 0 H8 DG A 2 6.775 -0.901 -5.264 1.00 0.00 H new ATOM 0 H1 DG A 2 1.082 1.546 -3.556 1.00 0.00 H new ATOM 0 H21 DG A 2 2.375 1.326 -0.366 1.00 0.00 H new ATOM 0 H22 DG A 2 1.020 1.773 -1.407 1.00 0.00 H new ATOM 64 P DC A 3 8.997 -2.924 0.093 1.00 0.00 P ATOM 65 OP1 DC A 3 9.697 -2.587 1.356 1.00 0.00 O ATOM 66 OP2 DC A 3 9.486 -4.036 -0.735 1.00 0.00 O ATOM 67 O5' DC A 3 7.455 -3.189 0.440 1.00 0.00 O ATOM 68 C5' DC A 3 6.749 -2.436 1.413 1.00 0.00 C ATOM 69 C4' DC A 3 5.328 -2.985 1.577 1.00 0.00 C ATOM 70 O4' DC A 3 4.565 -2.495 0.505 1.00 0.00 O ATOM 71 C3' DC A 3 5.209 -4.517 1.574 1.00 0.00 C ATOM 72 O3' DC A 3 4.862 -5.032 2.843 1.00 0.00 O ATOM 73 C2' DC A 3 4.014 -4.769 0.671 1.00 0.00 C ATOM 74 C1' DC A 3 3.504 -3.391 0.303 1.00 0.00 C ATOM 75 N1 DC A 3 3.135 -3.312 -1.124 1.00 0.00 N ATOM 76 C2 DC A 3 1.812 -3.118 -1.535 1.00 0.00 C ATOM 77 O2 DC A 3 0.875 -3.146 -0.748 1.00 0.00 O ATOM 78 N3 DC A 3 1.528 -2.828 -2.827 1.00 0.00 N ATOM 79 C4 DC A 3 2.528 -2.801 -3.687 1.00 0.00 C ATOM 80 N4 DC A 3 2.256 -2.412 -4.898 1.00 0.00 N ATOM 81 C5 DC A 3 3.875 -3.079 -3.333 1.00 0.00 C ATOM 82 C6 DC A 3 4.144 -3.326 -2.039 1.00 0.00 C ATOM 0 H5' DC A 3 6.710 -1.388 1.115 1.00 0.00 H new ATOM 0 H5'' DC A 3 7.275 -2.477 2.367 1.00 0.00 H new ATOM 0 H4' DC A 3 4.983 -2.659 2.558 1.00 0.00 H new ATOM 0 H3' DC A 3 6.150 -4.977 1.273 1.00 0.00 H new ATOM 0 H2' DC A 3 4.302 -5.333 -0.216 1.00 0.00 H new ATOM 0 H2'' DC A 3 3.247 -5.350 1.184 1.00 0.00 H new ATOM 0 H1' DC A 3 2.626 -3.164 0.907 1.00 0.00 H new ATOM 0 H41 DC A 3 2.995 -2.374 -5.600 1.00 0.00 H new ATOM 0 H42 DC A 3 1.303 -2.145 -5.146 1.00 0.00 H new ATOM 0 H5 DC A 3 4.657 -3.092 -4.078 1.00 0.00 H new ATOM 0 H6 DC A 3 5.156 -3.535 -1.726 1.00 0.00 H new ATOM 94 P DT A 4 5.951 -5.339 3.980 1.00 0.00 P ATOM 95 OP1 DT A 4 7.132 -4.465 3.787 1.00 0.00 O ATOM 96 OP2 DT A 4 6.125 -6.800 4.073 1.00 0.00 O ATOM 97 O5' DT A 4 5.144 -4.836 5.263 1.00 0.00 O ATOM 98 C5' DT A 4 4.987 -3.459 5.569 1.00 0.00 C ATOM 99 C4' DT A 4 3.765 -3.247 6.469 1.00 0.00 C ATOM 100 O4' DT A 4 2.596 -3.227 5.703 1.00 0.00 O ATOM 101 C3' DT A 4 3.552 -4.337 7.518 1.00 0.00 C ATOM 102 O3' DT A 4 4.272 -4.325 8.745 1.00 0.00 O ATOM 103 C2' DT A 4 2.070 -4.236 7.768 1.00 0.00 C ATOM 104 C1' DT A 4 1.497 -3.547 6.541 1.00 0.00 C ATOM 105 N1 DT A 4 0.544 -4.435 5.839 1.00 0.00 N ATOM 106 C2 DT A 4 -0.697 -4.698 6.421 1.00 0.00 C ATOM 107 O2 DT A 4 -1.035 -4.294 7.528 1.00 0.00 O ATOM 108 N3 DT A 4 -1.556 -5.477 5.679 1.00 0.00 N ATOM 109 C4 DT A 4 -1.322 -5.947 4.401 1.00 0.00 C ATOM 110 O4 DT A 4 -2.205 -6.587 3.839 1.00 0.00 O ATOM 111 C5 DT A 4 -0.005 -5.623 3.852 1.00 0.00 C ATOM 112 C7 DT A 4 0.395 -6.024 2.438 1.00 0.00 C ATOM 113 C6 DT A 4 0.881 -4.918 4.601 1.00 0.00 C ATOM 0 H5' DT A 4 4.872 -2.886 4.649 1.00 0.00 H new ATOM 0 H5'' DT A 4 5.882 -3.086 6.067 1.00 0.00 H new ATOM 0 H4' DT A 4 3.966 -2.303 6.975 1.00 0.00 H new ATOM 0 H3' DT A 4 3.951 -5.268 7.115 1.00 0.00 H new ATOM 0 H2' DT A 4 1.627 -5.222 7.907 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.863 -3.664 8.672 1.00 0.00 H new ATOM 0 H1' DT A 4 0.946 -2.649 6.820 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.445 -5.730 6.111 1.00 0.00 H new ATOM 0 H71 DT A 4 -0.123 -6.942 2.160 1.00 0.00 H new ATOM 0 H72 DT A 4 0.123 -5.229 1.744 1.00 0.00 H new ATOM 0 H73 DT A 4 1.472 -6.188 2.397 1.00 0.00 H new ATOM 0 H6 DT A 4 1.872 -4.734 4.213 1.00 0.00 H new ATOM 126 P DT A 5 4.914 -3.010 9.421 1.00 0.00 P ATOM 127 OP1 DT A 5 5.369 -3.379 10.779 1.00 0.00 O ATOM 128 OP2 DT A 5 4.023 -1.845 9.225 1.00 0.00 O ATOM 129 O5' DT A 5 6.194 -2.841 8.462 1.00 0.00 O ATOM 130 C5' DT A 5 7.380 -2.211 8.901 1.00 0.00 C ATOM 131 C4' DT A 5 8.583 -3.101 8.627 1.00 0.00 C ATOM 132 O4' DT A 5 8.395 -4.351 9.244 1.00 0.00 O ATOM 133 C3' DT A 5 8.858 -3.316 7.134 1.00 0.00 C ATOM 134 O3' DT A 5 10.102 -2.701 6.860 1.00 0.00 O ATOM 135 C2' DT A 5 8.900 -4.827 6.976 1.00 0.00 C ATOM 136 C1' DT A 5 8.992 -5.314 8.419 1.00 0.00 C ATOM 137 N1 DT A 5 8.273 -6.573 8.633 1.00 0.00 N ATOM 138 C2 DT A 5 8.951 -7.624 9.243 1.00 0.00 C ATOM 139 O2 DT A 5 10.110 -7.555 9.641 1.00 0.00 O ATOM 140 N3 DT A 5 8.251 -8.795 9.376 1.00 0.00 N ATOM 141 C4 DT A 5 6.946 -9.001 8.980 1.00 0.00 C ATOM 142 O4 DT A 5 6.445 -10.105 9.170 1.00 0.00 O ATOM 143 C5 DT A 5 6.295 -7.849 8.364 1.00 0.00 C ATOM 144 C7 DT A 5 4.877 -7.962 7.847 1.00 0.00 C ATOM 145 C6 DT A 5 6.966 -6.677 8.224 1.00 0.00 C ATOM 0 H5' DT A 5 7.313 -1.997 9.968 1.00 0.00 H new ATOM 0 H5'' DT A 5 7.502 -1.255 8.391 1.00 0.00 H new ATOM 0 H4' DT A 5 9.450 -2.585 9.040 1.00 0.00 H new ATOM 0 H3' DT A 5 8.122 -2.892 6.450 1.00 0.00 H new ATOM 0 H2' DT A 5 8.008 -5.207 6.477 1.00 0.00 H new ATOM 0 H2'' DT A 5 9.758 -5.148 6.385 1.00 0.00 H new ATOM 0 H1' DT A 5 10.046 -5.473 8.647 1.00 0.00 H new ATOM 0 H3 DT A 5 8.737 -9.582 9.805 1.00 0.00 H new ATOM 0 H71 DT A 5 4.689 -8.985 7.521 1.00 0.00 H new ATOM 0 H72 DT A 5 4.178 -7.700 8.641 1.00 0.00 H new ATOM 0 H73 DT A 5 4.741 -7.282 7.006 1.00 0.00 H new ATOM 0 H6 DT A 5 6.470 -5.822 7.789 1.00 0.00 H new ATOM 158 P DC A 6 10.669 -2.492 5.373 1.00 0.00 P ATOM 159 OP1 DC A 6 10.807 -3.801 4.697 1.00 0.00 O ATOM 160 OP2 DC A 6 11.812 -1.562 5.437 1.00 0.00 O ATOM 161 O5' DC A 6 9.468 -1.759 4.602 1.00 0.00 O ATOM 162 C5' DC A 6 9.154 -0.410 4.878 1.00 0.00 C ATOM 163 C4' DC A 6 7.987 0.045 4.012 1.00 0.00 C ATOM 164 O4' DC A 6 6.770 -0.509 4.445 1.00 0.00 O ATOM 165 C3' DC A 6 7.782 1.558 4.121 1.00 0.00 C ATOM 166 O3' DC A 6 8.645 2.402 3.368 1.00 0.00 O ATOM 167 C2' DC A 6 6.288 1.737 3.908 1.00 0.00 C ATOM 168 C1' DC A 6 5.762 0.301 3.882 1.00 0.00 C ATOM 169 N1 DC A 6 4.564 0.163 4.722 1.00 0.00 N ATOM 170 C2 DC A 6 3.352 -0.209 4.148 1.00 0.00 C ATOM 171 O2 DC A 6 3.264 -0.533 2.963 1.00 0.00 O ATOM 172 N3 DC A 6 2.237 -0.240 4.913 1.00 0.00 N ATOM 173 C4 DC A 6 2.324 0.092 6.193 1.00 0.00 C ATOM 174 N4 DC A 6 1.229 -0.033 6.891 1.00 0.00 N ATOM 175 C5 DC A 6 3.551 0.425 6.835 1.00 0.00 C ATOM 176 C6 DC A 6 4.659 0.425 6.061 1.00 0.00 C ATOM 0 H5' DC A 6 10.024 0.220 4.689 1.00 0.00 H new ATOM 0 H5'' DC A 6 8.901 -0.296 5.932 1.00 0.00 H new ATOM 0 H4' DC A 6 8.236 -0.271 2.999 1.00 0.00 H new ATOM 0 H3' DC A 6 8.102 1.924 5.097 1.00 0.00 H new ATOM 0 H2' DC A 6 5.834 2.317 4.711 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.074 2.261 2.976 1.00 0.00 H new ATOM 0 H1' DC A 6 5.510 0.021 2.859 1.00 0.00 H new ATOM 0 H41 DC A 6 1.226 0.205 7.883 1.00 0.00 H new ATOM 0 H42 DC A 6 0.376 -0.369 6.445 1.00 0.00 H new ATOM 0 H5 DC A 6 3.594 0.665 7.887 1.00 0.00 H new ATOM 0 H6 DC A 6 5.623 0.633 6.501 1.00 0.00 H new ATOM 188 P DG A 7 8.818 2.402 1.760 1.00 0.00 P ATOM 189 OP1 DG A 7 8.979 1.002 1.304 1.00 0.00 O ATOM 190 OP2 DG A 7 9.881 3.370 1.444 1.00 0.00 O ATOM 191 O5' DG A 7 7.413 2.971 1.240 1.00 0.00 O ATOM 192 C5' DG A 7 6.827 2.563 0.014 1.00 0.00 C ATOM 193 C4' DG A 7 5.436 3.190 -0.148 1.00 0.00 C ATOM 194 O4' DG A 7 4.544 2.498 0.700 1.00 0.00 O ATOM 195 C3' DG A 7 5.340 4.676 0.261 1.00 0.00 C ATOM 196 O3' DG A 7 5.333 5.641 -0.778 1.00 0.00 O ATOM 197 C2' DG A 7 3.952 4.776 0.869 1.00 0.00 C ATOM 198 C1' DG A 7 3.437 3.342 0.874 1.00 0.00 C ATOM 199 N9 DG A 7 2.787 3.013 2.143 1.00 0.00 N ATOM 200 C8 DG A 7 3.235 3.279 3.405 1.00 0.00 C ATOM 201 N7 DG A 7 2.354 3.050 4.338 1.00 0.00 N ATOM 202 C5 DG A 7 1.248 2.564 3.628 1.00 0.00 C ATOM 203 C6 DG A 7 -0.058 2.155 4.052 1.00 0.00 C ATOM 204 O6 DG A 7 -0.538 2.144 5.181 1.00 0.00 O ATOM 205 N1 DG A 7 -0.875 1.747 3.008 1.00 0.00 N ATOM 206 C2 DG A 7 -0.477 1.661 1.708 1.00 0.00 C ATOM 207 N2 DG A 7 -1.354 1.206 0.835 1.00 0.00 N ATOM 208 N3 DG A 7 0.718 2.059 1.282 1.00 0.00 N ATOM 209 C4 DG A 7 1.530 2.500 2.285 1.00 0.00 C ATOM 0 H5' DG A 7 6.749 1.476 -0.015 1.00 0.00 H new ATOM 0 H5'' DG A 7 7.466 2.859 -0.818 1.00 0.00 H new ATOM 0 H4' DG A 7 5.203 3.120 -1.211 1.00 0.00 H new ATOM 0 H3' DG A 7 6.216 4.897 0.871 1.00 0.00 H new ATOM 0 H2' DG A 7 3.988 5.189 1.877 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.306 5.428 0.281 1.00 0.00 H new ATOM 0 H1' DG A 7 2.703 3.219 0.078 1.00 0.00 H new ATOM 0 H8 DG A 7 4.230 3.646 3.612 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.838 1.494 3.228 1.00 0.00 H new ATOM 0 H21 DG A 7 -1.099 1.125 -0.149 1.00 0.00 H new ATOM 0 H22 DG A 7 -2.288 0.935 1.144 1.00 0.00 H new ATOM 221 P DT A 8 6.455 5.761 -1.919 1.00 0.00 P ATOM 222 OP1 DT A 8 7.761 5.322 -1.395 1.00 0.00 O ATOM 223 OP2 DT A 8 6.307 7.078 -2.572 1.00 0.00 O ATOM 224 O5' DT A 8 5.873 4.653 -2.925 1.00 0.00 O ATOM 225 C5' DT A 8 6.682 3.716 -3.618 1.00 0.00 C ATOM 226 C4' DT A 8 6.051 3.484 -4.989 1.00 0.00 C ATOM 227 O4' DT A 8 4.737 2.978 -4.868 1.00 0.00 O ATOM 228 C3' DT A 8 5.965 4.795 -5.765 1.00 0.00 C ATOM 229 O3' DT A 8 7.087 4.901 -6.614 1.00 0.00 O ATOM 230 C2' DT A 8 4.678 4.653 -6.561 1.00 0.00 C ATOM 231 C1' DT A 8 3.914 3.513 -5.893 1.00 0.00 C ATOM 232 N1 DT A 8 2.648 4.031 -5.328 1.00 0.00 N ATOM 233 C2 DT A 8 1.535 4.109 -6.160 1.00 0.00 C ATOM 234 O2 DT A 8 1.551 3.802 -7.347 1.00 0.00 O ATOM 235 N3 DT A 8 0.385 4.604 -5.589 1.00 0.00 N ATOM 236 C4 DT A 8 0.254 5.052 -4.287 1.00 0.00 C ATOM 237 O4 DT A 8 -0.842 5.461 -3.915 1.00 0.00 O ATOM 238 C5 DT A 8 1.475 4.981 -3.487 1.00 0.00 C ATOM 239 C7 DT A 8 1.504 5.416 -2.034 1.00 0.00 C ATOM 240 C6 DT A 8 2.615 4.488 -4.032 1.00 0.00 C ATOM 0 H5' DT A 8 6.745 2.780 -3.063 1.00 0.00 H new ATOM 0 H5'' DT A 8 7.699 4.093 -3.724 1.00 0.00 H new ATOM 0 H4' DT A 8 6.682 2.765 -5.512 1.00 0.00 H new ATOM 0 H3' DT A 8 5.960 5.687 -5.138 1.00 0.00 H new ATOM 0 H2' DT A 8 4.100 5.577 -6.543 1.00 0.00 H new ATOM 0 H2'' DT A 8 4.885 4.427 -7.607 1.00 0.00 H new ATOM 0 HO3' DT A 8 7.038 5.740 -7.118 1.00 0.00 H new ATOM 0 H1' DT A 8 3.670 2.733 -6.615 1.00 0.00 H new ATOM 0 H3 DT A 8 -0.446 4.644 -6.179 1.00 0.00 H new ATOM 0 H71 DT A 8 0.770 6.206 -1.876 1.00 0.00 H new ATOM 0 H72 DT A 8 1.265 4.566 -1.395 1.00 0.00 H new ATOM 0 H73 DT A 8 2.498 5.789 -1.786 1.00 0.00 H new ATOM 0 H6 DT A 8 3.515 4.454 -3.436 1.00 0.00 H new TER 254 DT A 8 ATOM 255 O5' DT B 9 -8.048 -2.833 -12.521 1.00 0.00 O ATOM 256 C5' DT B 9 -7.658 -2.238 -11.298 1.00 0.00 C ATOM 257 C4' DT B 9 -7.439 -3.310 -10.235 1.00 0.00 C ATOM 258 O4' DT B 9 -6.333 -4.084 -10.649 1.00 0.00 O ATOM 259 C3' DT B 9 -7.060 -2.675 -8.894 1.00 0.00 C ATOM 260 O3' DT B 9 -7.572 -3.437 -7.816 1.00 0.00 O ATOM 261 C2' DT B 9 -5.553 -2.795 -8.891 1.00 0.00 C ATOM 262 C1' DT B 9 -5.397 -4.143 -9.595 1.00 0.00 C ATOM 263 N1 DT B 9 -4.042 -4.442 -10.112 1.00 0.00 N ATOM 264 C2 DT B 9 -3.891 -5.474 -11.050 1.00 0.00 C ATOM 265 O2 DT B 9 -4.790 -6.180 -11.492 1.00 0.00 O ATOM 266 N3 DT B 9 -2.610 -5.738 -11.455 1.00 0.00 N ATOM 267 C4 DT B 9 -1.464 -5.150 -10.960 1.00 0.00 C ATOM 268 O4 DT B 9 -0.387 -5.517 -11.415 1.00 0.00 O ATOM 269 C5 DT B 9 -1.683 -4.156 -9.912 1.00 0.00 C ATOM 270 C7 DT B 9 -0.519 -3.457 -9.233 1.00 0.00 C ATOM 271 C6 DT B 9 -2.945 -3.842 -9.526 1.00 0.00 C ATOM 0 H5' DT B 9 -8.424 -1.538 -10.966 1.00 0.00 H new ATOM 0 H5'' DT B 9 -6.742 -1.665 -11.440 1.00 0.00 H new ATOM 0 H4' DT B 9 -8.351 -3.895 -10.117 1.00 0.00 H new ATOM 0 H3' DT B 9 -7.441 -1.660 -8.784 1.00 0.00 H new ATOM 0 H2' DT B 9 -5.068 -1.983 -9.433 1.00 0.00 H new ATOM 0 H2'' DT B 9 -5.137 -2.799 -7.884 1.00 0.00 H new ATOM 0 HO5' DT B 9 -8.187 -2.135 -13.195 1.00 0.00 H new ATOM 0 H1' DT B 9 -5.565 -4.951 -8.883 1.00 0.00 H new ATOM 0 H3 DT B 9 -2.492 -6.434 -12.191 1.00 0.00 H new ATOM 0 H71 DT B 9 0.346 -4.120 -9.220 1.00 0.00 H new ATOM 0 H72 DT B 9 -0.271 -2.548 -9.780 1.00 0.00 H new ATOM 0 H73 DT B 9 -0.795 -3.201 -8.210 1.00 0.00 H new ATOM 0 H6 DT B 9 -3.094 -3.110 -8.746 1.00 0.00 H new ATOM 285 P DG B 10 -9.037 -3.155 -7.229 1.00 0.00 P ATOM 286 OP1 DG B 10 -9.597 -4.402 -6.665 1.00 0.00 O ATOM 287 OP2 DG B 10 -9.810 -2.350 -8.194 1.00 0.00 O ATOM 288 O5' DG B 10 -8.722 -2.250 -5.946 1.00 0.00 O ATOM 289 C5' DG B 10 -8.239 -0.927 -6.081 1.00 0.00 C ATOM 290 C4' DG B 10 -8.009 -0.356 -4.685 1.00 0.00 C ATOM 291 O4' DG B 10 -6.895 -0.976 -4.070 1.00 0.00 O ATOM 292 C3' DG B 10 -7.815 1.158 -4.692 1.00 0.00 C ATOM 293 O3' DG B 10 -8.551 1.898 -3.721 1.00 0.00 O ATOM 294 C2' DG B 10 -6.320 1.287 -4.534 1.00 0.00 C ATOM 295 C1' DG B 10 -5.853 -0.038 -3.912 1.00 0.00 C ATOM 296 N9 DG B 10 -4.680 -0.565 -4.623 1.00 0.00 N ATOM 297 C8 DG B 10 -4.508 -0.602 -5.973 1.00 0.00 C ATOM 298 N7 DG B 10 -3.332 -1.000 -6.368 1.00 0.00 N ATOM 299 C5 DG B 10 -2.679 -1.285 -5.159 1.00 0.00 C ATOM 300 C6 DG B 10 -1.344 -1.742 -4.880 1.00 0.00 C ATOM 301 O6 DG B 10 -0.415 -1.979 -5.649 1.00 0.00 O ATOM 302 N1 DG B 10 -1.102 -1.932 -3.535 1.00 0.00 N ATOM 303 C2 DG B 10 -2.006 -1.676 -2.555 1.00 0.00 C ATOM 304 N2 DG B 10 -1.607 -1.923 -1.330 1.00 0.00 N ATOM 305 N3 DG B 10 -3.231 -1.193 -2.759 1.00 0.00 N ATOM 306 C4 DG B 10 -3.513 -1.037 -4.086 1.00 0.00 C ATOM 0 H5' DG B 10 -8.956 -0.315 -6.628 1.00 0.00 H new ATOM 0 H5'' DG B 10 -7.311 -0.918 -6.653 1.00 0.00 H new ATOM 0 H4' DG B 10 -8.911 -0.568 -4.112 1.00 0.00 H new ATOM 0 H3' DG B 10 -8.215 1.604 -5.602 1.00 0.00 H new ATOM 0 H2' DG B 10 -5.838 1.459 -5.496 1.00 0.00 H new ATOM 0 H2'' DG B 10 -6.065 2.132 -3.894 1.00 0.00 H new ATOM 0 H1' DG B 10 -5.598 0.130 -2.866 1.00 0.00 H new ATOM 0 H8 DG B 10 -5.288 -0.322 -6.665 1.00 0.00 H new ATOM 0 H1 DG B 10 -0.186 -2.287 -3.260 1.00 0.00 H new ATOM 0 H21 DG B 10 -2.236 -1.753 -0.545 1.00 0.00 H new ATOM 0 H22 DG B 10 -0.668 -2.285 -1.163 1.00 0.00 H new ATOM 318 P DC B 11 -8.522 1.689 -2.117 1.00 0.00 P ATOM 319 OP1 DC B 11 -8.685 0.251 -1.816 1.00 0.00 O ATOM 320 OP2 DC B 11 -9.507 2.629 -1.552 1.00 0.00 O ATOM 321 O5' DC B 11 -7.080 2.175 -1.606 1.00 0.00 O ATOM 322 C5' DC B 11 -6.584 1.806 -0.329 1.00 0.00 C ATOM 323 C4' DC B 11 -5.254 2.507 -0.036 1.00 0.00 C ATOM 324 O4' DC B 11 -4.268 2.034 -0.917 1.00 0.00 O ATOM 325 C3' DC B 11 -5.285 4.027 -0.186 1.00 0.00 C ATOM 326 O3' DC B 11 -5.318 4.655 1.078 1.00 0.00 O ATOM 327 C2' DC B 11 -3.943 4.357 -0.822 1.00 0.00 C ATOM 328 C1' DC B 11 -3.255 3.012 -0.961 1.00 0.00 C ATOM 329 N1 DC B 11 -2.573 2.862 -2.260 1.00 0.00 N ATOM 330 C2 DC B 11 -1.212 2.573 -2.327 1.00 0.00 C ATOM 331 O2 DC B 11 -0.481 2.703 -1.356 1.00 0.00 O ATOM 332 N3 DC B 11 -0.664 2.072 -3.460 1.00 0.00 N ATOM 333 C4 DC B 11 -1.449 1.923 -4.509 1.00 0.00 C ATOM 334 N4 DC B 11 -0.932 1.349 -5.561 1.00 0.00 N ATOM 335 C5 DC B 11 -2.821 2.290 -4.515 1.00 0.00 C ATOM 336 C6 DC B 11 -3.348 2.768 -3.374 1.00 0.00 C ATOM 0 H5' DC B 11 -6.447 0.725 -0.286 1.00 0.00 H new ATOM 0 H5'' DC B 11 -7.314 2.066 0.438 1.00 0.00 H new ATOM 0 H4' DC B 11 -5.042 2.279 1.008 1.00 0.00 H new ATOM 0 H3' DC B 11 -6.154 4.357 -0.755 1.00 0.00 H new ATOM 0 H2' DC B 11 -4.070 4.841 -1.790 1.00 0.00 H new ATOM 0 H2'' DC B 11 -3.364 5.038 -0.198 1.00 0.00 H new ATOM 0 H1' DC B 11 -2.513 2.917 -0.169 1.00 0.00 H new ATOM 0 H41 DC B 11 -1.499 1.211 -6.397 1.00 0.00 H new ATOM 0 H42 DC B 11 0.039 1.038 -5.547 1.00 0.00 H new ATOM 0 H5 DC B 11 -3.421 2.188 -5.407 1.00 0.00 H new ATOM 0 H6 DC B 11 -4.383 3.076 -3.342 1.00 0.00 H new ATOM 348 P DT B 12 -6.669 5.247 1.716 1.00 0.00 P ATOM 349 OP1 DT B 12 -7.698 5.296 0.649 1.00 0.00 O ATOM 350 OP2 DT B 12 -6.309 6.482 2.434 1.00 0.00 O ATOM 351 O5' DT B 12 -7.239 4.168 2.774 1.00 0.00 O ATOM 352 C5' DT B 12 -6.486 3.137 3.404 1.00 0.00 C ATOM 353 C4' DT B 12 -5.378 3.553 4.378 1.00 0.00 C ATOM 354 O4' DT B 12 -4.128 3.729 3.792 1.00 0.00 O ATOM 355 C3' DT B 12 -5.627 4.776 5.234 1.00 0.00 C ATOM 356 O3' DT B 12 -6.402 4.416 6.362 1.00 0.00 O ATOM 357 C2' DT B 12 -4.204 5.114 5.661 1.00 0.00 C ATOM 358 C1' DT B 12 -3.302 4.200 4.844 1.00 0.00 C ATOM 359 N1 DT B 12 -2.098 4.897 4.359 1.00 0.00 N ATOM 360 C2 DT B 12 -1.106 5.259 5.274 1.00 0.00 C ATOM 361 O2 DT B 12 -1.216 5.139 6.490 1.00 0.00 O ATOM 362 N3 DT B 12 0.047 5.782 4.736 1.00 0.00 N ATOM 363 C4 DT B 12 0.301 5.957 3.389 1.00 0.00 C ATOM 364 O4 DT B 12 1.389 6.411 3.051 1.00 0.00 O ATOM 365 C5 DT B 12 -0.787 5.558 2.495 1.00 0.00 C ATOM 366 C7 DT B 12 -0.620 5.641 0.985 1.00 0.00 C ATOM 367 C6 DT B 12 -1.943 5.063 3.010 1.00 0.00 C ATOM 0 H5' DT B 12 -6.033 2.528 2.622 1.00 0.00 H new ATOM 0 H5'' DT B 12 -7.183 2.496 3.944 1.00 0.00 H new ATOM 0 H4' DT B 12 -5.392 2.677 5.026 1.00 0.00 H new ATOM 0 H3' DT B 12 -6.159 5.588 4.739 1.00 0.00 H new ATOM 0 H2' DT B 12 -3.976 6.163 5.469 1.00 0.00 H new ATOM 0 H2'' DT B 12 -4.066 4.948 6.729 1.00 0.00 H new ATOM 0 H1' DT B 12 -2.904 3.377 5.437 1.00 0.00 H new ATOM 0 H3 DT B 12 0.778 6.065 5.388 1.00 0.00 H new ATOM 0 H71 DT B 12 -1.225 4.870 0.509 1.00 0.00 H new ATOM 0 H72 DT B 12 -0.943 6.622 0.637 1.00 0.00 H new ATOM 0 H73 DT B 12 0.428 5.491 0.726 1.00 0.00 H new ATOM 0 H6 DT B 12 -2.751 4.797 2.345 1.00 0.00 H new ATOM 380 P DT B 13 -7.317 5.483 7.147 1.00 0.00 P ATOM 381 OP1 DT B 13 -7.142 6.825 6.551 1.00 0.00 O ATOM 382 OP2 DT B 13 -7.118 5.277 8.595 1.00 0.00 O ATOM 383 O5' DT B 13 -8.774 4.938 6.770 1.00 0.00 O ATOM 384 C5' DT B 13 -9.239 4.961 5.438 1.00 0.00 C ATOM 385 C4' DT B 13 -10.589 4.273 5.400 1.00 0.00 C ATOM 386 O4' DT B 13 -11.546 5.125 5.967 1.00 0.00 O ATOM 387 C3' DT B 13 -11.064 3.984 3.975 1.00 0.00 C ATOM 388 O3' DT B 13 -10.902 2.624 3.638 1.00 0.00 O ATOM 389 C2' DT B 13 -12.545 4.331 3.998 1.00 0.00 C ATOM 390 C1' DT B 13 -12.767 4.666 5.469 1.00 0.00 C ATOM 391 N1 DT B 13 -13.725 5.747 5.627 1.00 0.00 N ATOM 392 C2 DT B 13 -14.823 5.551 6.453 1.00 0.00 C ATOM 393 O2 DT B 13 -15.054 4.511 7.057 1.00 0.00 O ATOM 394 N3 DT B 13 -15.682 6.614 6.554 1.00 0.00 N ATOM 395 C4 DT B 13 -15.541 7.824 5.905 1.00 0.00 C ATOM 396 O4 DT B 13 -16.394 8.684 6.097 1.00 0.00 O ATOM 397 C5 DT B 13 -14.359 7.936 5.060 1.00 0.00 C ATOM 398 C7 DT B 13 -14.042 9.185 4.308 1.00 0.00 C ATOM 399 C6 DT B 13 -13.490 6.917 4.957 1.00 0.00 C ATOM 0 H5' DT B 13 -8.534 4.453 4.780 1.00 0.00 H new ATOM 0 H5'' DT B 13 -9.325 5.988 5.082 1.00 0.00 H new ATOM 0 H4' DT B 13 -10.478 3.333 5.940 1.00 0.00 H new ATOM 0 H3' DT B 13 -10.495 4.552 3.240 1.00 0.00 H new ATOM 0 H2' DT B 13 -12.777 5.174 3.348 1.00 0.00 H new ATOM 0 H2'' DT B 13 -13.165 3.496 3.671 1.00 0.00 H new ATOM 0 H1' DT B 13 -13.141 3.782 5.986 1.00 0.00 H new ATOM 0 H3 DT B 13 -16.495 6.501 7.160 1.00 0.00 H new ATOM 0 H71 DT B 13 -12.962 9.279 4.197 1.00 0.00 H new ATOM 0 H72 DT B 13 -14.506 9.144 3.322 1.00 0.00 H new ATOM 0 H73 DT B 13 -14.427 10.046 4.854 1.00 0.00 H new ATOM 0 H6 DT B 13 -12.606 7.021 4.346 1.00 0.00 H new ATOM 412 P DC B 14 -11.242 2.107 2.155 1.00 0.00 P ATOM 413 OP1 DC B 14 -11.236 3.276 1.247 1.00 0.00 O ATOM 414 OP2 DC B 14 -12.416 1.213 2.214 1.00 0.00 O ATOM 415 O5' DC B 14 -9.953 1.235 1.794 1.00 0.00 O ATOM 416 C5' DC B 14 -9.764 -0.014 2.427 1.00 0.00 C ATOM 417 C4' DC B 14 -8.431 -0.632 2.027 1.00 0.00 C ATOM 418 O4' DC B 14 -7.348 0.134 2.499 1.00 0.00 O ATOM 419 C3' DC B 14 -8.241 -1.991 2.702 1.00 0.00 C ATOM 420 O3' DC B 14 -8.934 -3.117 2.178 1.00 0.00 O ATOM 421 C2' DC B 14 -6.732 -2.121 2.807 1.00 0.00 C ATOM 422 C1' DC B 14 -6.220 -0.711 2.487 1.00 0.00 C ATOM 423 N1 DC B 14 -5.306 -0.215 3.532 1.00 0.00 N ATOM 424 C2 DC B 14 -4.025 0.222 3.197 1.00 0.00 C ATOM 425 O2 DC B 14 -3.648 0.304 2.028 1.00 0.00 O ATOM 426 N3 DC B 14 -3.173 0.597 4.179 1.00 0.00 N ATOM 427 C4 DC B 14 -3.576 0.547 5.441 1.00 0.00 C ATOM 428 N4 DC B 14 -2.724 0.976 6.331 1.00 0.00 N ATOM 429 C5 DC B 14 -4.908 0.215 5.821 1.00 0.00 C ATOM 430 C6 DC B 14 -5.749 -0.152 4.826 1.00 0.00 C ATOM 0 H5' DC B 14 -10.577 -0.689 2.158 1.00 0.00 H new ATOM 0 H5'' DC B 14 -9.800 0.113 3.509 1.00 0.00 H new ATOM 0 H4' DC B 14 -8.450 -0.696 0.939 1.00 0.00 H new ATOM 0 H3' DC B 14 -8.741 -2.006 3.670 1.00 0.00 H new ATOM 0 H2' DC B 14 -6.426 -2.441 3.803 1.00 0.00 H new ATOM 0 H2'' DC B 14 -6.344 -2.857 2.103 1.00 0.00 H new ATOM 0 H1' DC B 14 -5.691 -0.728 1.534 1.00 0.00 H new ATOM 0 H41 DC B 14 -2.971 0.965 7.321 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.811 1.322 6.037 1.00 0.00 H new ATOM 0 H5 DC B 14 -5.231 0.254 6.851 1.00 0.00 H new ATOM 0 H6 DC B 14 -6.776 -0.397 5.054 1.00 0.00 H new ATOM 442 P DG B 15 -8.897 -3.652 0.651 1.00 0.00 P ATOM 443 OP1 DG B 15 -9.242 -2.524 -0.247 1.00 0.00 O ATOM 444 OP2 DG B 15 -9.728 -4.868 0.606 1.00 0.00 O ATOM 445 O5' DG B 15 -7.367 -4.081 0.419 1.00 0.00 O ATOM 446 C5' DG B 15 -6.613 -3.669 -0.712 1.00 0.00 C ATOM 447 C4' DG B 15 -5.154 -4.129 -0.595 1.00 0.00 C ATOM 448 O4' DG B 15 -4.499 -3.241 0.284 1.00 0.00 O ATOM 449 C3' DG B 15 -4.954 -5.542 -0.013 1.00 0.00 C ATOM 450 O3' DG B 15 -4.637 -6.589 -0.917 1.00 0.00 O ATOM 451 C2' DG B 15 -3.703 -5.388 0.836 1.00 0.00 C ATOM 452 C1' DG B 15 -3.354 -3.908 0.741 1.00 0.00 C ATOM 453 N9 DG B 15 -3.011 -3.365 2.056 1.00 0.00 N ATOM 454 C8 DG B 15 -3.722 -3.471 3.219 1.00 0.00 C ATOM 455 N7 DG B 15 -3.135 -2.930 4.249 1.00 0.00 N ATOM 456 C5 DG B 15 -1.926 -2.459 3.723 1.00 0.00 C ATOM 457 C6 DG B 15 -0.801 -1.820 4.339 1.00 0.00 C ATOM 458 O6 DG B 15 -0.654 -1.474 5.507 1.00 0.00 O ATOM 459 N1 DG B 15 0.256 -1.615 3.467 1.00 0.00 N ATOM 460 C2 DG B 15 0.187 -1.815 2.120 1.00 0.00 C ATOM 461 N2 DG B 15 1.228 -1.459 1.398 1.00 0.00 N ATOM 462 N3 DG B 15 -0.851 -2.387 1.517 1.00 0.00 N ATOM 463 C4 DG B 15 -1.860 -2.706 2.374 1.00 0.00 C ATOM 0 H5' DG B 15 -6.650 -2.583 -0.803 1.00 0.00 H new ATOM 0 H5'' DG B 15 -7.056 -4.080 -1.619 1.00 0.00 H new ATOM 0 H4' DG B 15 -4.761 -4.143 -1.612 1.00 0.00 H new ATOM 0 H3' DG B 15 -5.895 -5.830 0.455 1.00 0.00 H new ATOM 0 H2' DG B 15 -3.885 -5.687 1.868 1.00 0.00 H new ATOM 0 H2'' DG B 15 -2.891 -6.012 0.462 1.00 0.00 H new ATOM 0 H1' DG B 15 -2.502 -3.777 0.074 1.00 0.00 H new ATOM 0 H8 DG B 15 -4.684 -3.959 3.279 1.00 0.00 H new ATOM 0 H1 DG B 15 1.142 -1.294 3.857 1.00 0.00 H new ATOM 0 H21 DG B 15 1.217 -1.592 0.387 1.00 0.00 H new ATOM 0 H22 DG B 15 2.046 -1.050 1.850 1.00 0.00 H new ATOM 475 P DT B 16 -5.404 -6.887 -2.298 1.00 0.00 P ATOM 476 OP1 DT B 16 -6.806 -6.425 -2.226 1.00 0.00 O ATOM 477 OP2 DT B 16 -5.088 -8.271 -2.706 1.00 0.00 O ATOM 478 O5' DT B 16 -4.569 -5.900 -3.259 1.00 0.00 O ATOM 479 C5' DT B 16 -5.172 -5.000 -4.176 1.00 0.00 C ATOM 480 C4' DT B 16 -4.245 -4.843 -5.383 1.00 0.00 C ATOM 481 O4' DT B 16 -3.010 -4.271 -4.999 1.00 0.00 O ATOM 482 C3' DT B 16 -3.951 -6.200 -6.025 1.00 0.00 C ATOM 483 O3' DT B 16 -4.744 -6.405 -7.175 1.00 0.00 O ATOM 484 C2' DT B 16 -2.489 -6.114 -6.423 1.00 0.00 C ATOM 485 C1' DT B 16 -1.945 -4.880 -5.713 1.00 0.00 C ATOM 486 N1 DT B 16 -0.848 -5.276 -4.797 1.00 0.00 N ATOM 487 C2 DT B 16 0.438 -5.402 -5.317 1.00 0.00 C ATOM 488 O2 DT B 16 0.717 -5.219 -6.496 1.00 0.00 O ATOM 489 N3 DT B 16 1.414 -5.803 -4.437 1.00 0.00 N ATOM 490 C4 DT B 16 1.223 -6.108 -3.101 1.00 0.00 C ATOM 491 O4 DT B 16 2.203 -6.426 -2.434 1.00 0.00 O ATOM 492 C5 DT B 16 -0.161 -6.007 -2.635 1.00 0.00 C ATOM 493 C7 DT B 16 -0.551 -6.285 -1.189 1.00 0.00 C ATOM 494 C6 DT B 16 -1.134 -5.608 -3.493 1.00 0.00 C ATOM 0 H5' DT B 16 -5.343 -4.034 -3.701 1.00 0.00 H new ATOM 0 H5'' DT B 16 -6.145 -5.376 -4.492 1.00 0.00 H new ATOM 0 H4' DT B 16 -4.755 -4.193 -6.094 1.00 0.00 H new ATOM 0 H3' DT B 16 -4.167 -7.025 -5.346 1.00 0.00 H new ATOM 0 H2' DT B 16 -1.947 -7.011 -6.122 1.00 0.00 H new ATOM 0 H2'' DT B 16 -2.381 -6.024 -7.504 1.00 0.00 H new ATOM 0 HO3' DT B 16 -4.534 -7.279 -7.566 1.00 0.00 H new ATOM 0 H1' DT B 16 -1.541 -4.168 -6.433 1.00 0.00 H new ATOM 0 H3 DT B 16 2.364 -5.883 -4.801 1.00 0.00 H new ATOM 0 H71 DT B 16 0.131 -7.021 -0.763 1.00 0.00 H new ATOM 0 H72 DT B 16 -0.494 -5.361 -0.613 1.00 0.00 H new ATOM 0 H73 DT B 16 -1.569 -6.672 -1.155 1.00 0.00 H new ATOM 0 H6 DT B 16 -2.155 -5.550 -3.145 1.00 0.00 H new TER 508 DT B 16