USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=4 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 Single : A 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.76! (180deg=-1.76!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -1.64! (180deg=-1.64!) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 3.741 -8.475 -2.548 1.00 0.00 O ATOM 2 C5' DC A 1 3.688 -8.988 -1.234 1.00 0.00 C ATOM 3 C4' DC A 1 4.039 -7.890 -0.226 1.00 0.00 C ATOM 4 O4' DC A 1 3.081 -6.852 -0.245 1.00 0.00 O ATOM 5 C3' DC A 1 4.133 -8.406 1.213 1.00 0.00 C ATOM 6 O3' DC A 1 5.521 -8.611 1.443 1.00 0.00 O ATOM 7 C2' DC A 1 3.472 -7.251 2.017 1.00 0.00 C ATOM 8 C1' DC A 1 3.211 -6.155 0.974 1.00 0.00 C ATOM 9 N1 DC A 1 2.008 -5.326 1.241 1.00 0.00 N ATOM 10 C2 DC A 1 2.082 -3.931 1.293 1.00 0.00 C ATOM 11 O2 DC A 1 3.155 -3.340 1.194 1.00 0.00 O ATOM 12 N3 DC A 1 0.923 -3.225 1.457 1.00 0.00 N ATOM 13 C4 DC A 1 -0.262 -3.850 1.569 1.00 0.00 C ATOM 14 N4 DC A 1 -1.370 -3.120 1.736 1.00 0.00 N ATOM 15 C5 DC A 1 -0.359 -5.279 1.456 1.00 0.00 C ATOM 16 C6 DC A 1 0.801 -5.952 1.287 1.00 0.00 C ATOM 0 H5' DC A 1 4.383 -9.821 -1.132 1.00 0.00 H new ATOM 0 H5'' DC A 1 2.691 -9.377 -1.027 1.00 0.00 H new ATOM 0 H4' DC A 1 5.017 -7.521 -0.536 1.00 0.00 H new ATOM 0 H3' DC A 1 3.642 -9.344 1.474 1.00 0.00 H new ATOM 0 H2' DC A 1 2.546 -7.577 2.490 1.00 0.00 H new ATOM 0 H2'' DC A 1 4.128 -6.895 2.811 1.00 0.00 H new ATOM 0 HO5' DC A 1 3.517 -9.185 -3.186 1.00 0.00 H new ATOM 0 H1' DC A 1 4.026 -5.431 0.980 1.00 0.00 H new ATOM 0 H41 DC A 1 -2.276 -3.581 1.822 1.00 0.00 H new ATOM 0 H42 DC A 1 -1.309 -2.103 1.777 1.00 0.00 H new ATOM 0 H5 DC A 1 -1.310 -5.789 1.504 1.00 0.00 H new ATOM 0 H6 DC A 1 0.768 -7.027 1.185 1.00 0.00 H new ATOM 29 P DG A 2 6.218 -8.617 2.895 1.00 0.00 P ATOM 30 OP1 DG A 2 7.565 -9.212 2.754 1.00 0.00 O ATOM 31 OP2 DG A 2 5.261 -9.181 3.874 1.00 0.00 O ATOM 32 O5' DG A 2 6.395 -7.040 3.201 1.00 0.00 O ATOM 33 C5' DG A 2 6.997 -6.151 2.274 1.00 0.00 C ATOM 34 C4' DG A 2 7.143 -4.755 2.863 1.00 0.00 C ATOM 35 O4' DG A 2 5.883 -4.110 2.774 1.00 0.00 O ATOM 36 C3' DG A 2 7.604 -4.750 4.327 1.00 0.00 C ATOM 37 O3' DG A 2 8.593 -3.748 4.455 1.00 0.00 O ATOM 38 C2' DG A 2 6.267 -4.475 4.998 1.00 0.00 C ATOM 39 C1' DG A 2 5.642 -3.499 4.013 1.00 0.00 C ATOM 40 N9 DG A 2 4.194 -3.312 4.254 1.00 0.00 N ATOM 41 C8 DG A 2 3.291 -4.272 4.621 1.00 0.00 C ATOM 42 N7 DG A 2 2.055 -3.869 4.659 1.00 0.00 N ATOM 43 C5 DG A 2 2.143 -2.524 4.322 1.00 0.00 C ATOM 44 C6 DG A 2 1.108 -1.555 4.188 1.00 0.00 C ATOM 45 O6 DG A 2 -0.103 -1.744 4.239 1.00 0.00 O ATOM 46 N1 DG A 2 1.602 -0.271 3.974 1.00 0.00 N ATOM 47 C2 DG A 2 2.942 0.026 3.807 1.00 0.00 C ATOM 48 N2 DG A 2 3.254 1.312 3.613 1.00 0.00 N ATOM 49 N3 DG A 2 3.913 -0.906 3.833 1.00 0.00 N ATOM 50 C4 DG A 2 3.452 -2.159 4.109 1.00 0.00 C ATOM 0 H5' DG A 2 6.394 -6.104 1.367 1.00 0.00 H new ATOM 0 H5'' DG A 2 7.977 -6.531 1.986 1.00 0.00 H new ATOM 0 H4' DG A 2 7.915 -4.237 2.294 1.00 0.00 H new ATOM 0 H3' DG A 2 8.083 -5.634 4.748 1.00 0.00 H new ATOM 0 H2' DG A 2 5.671 -5.380 5.116 1.00 0.00 H new ATOM 0 H2'' DG A 2 6.386 -4.040 5.990 1.00 0.00 H new ATOM 0 H1' DG A 2 6.060 -2.495 4.090 1.00 0.00 H new ATOM 0 H8 DG A 2 3.582 -5.284 4.860 1.00 0.00 H new ATOM 0 H1 DG A 2 0.934 0.499 3.938 1.00 0.00 H new ATOM 0 H21 DG A 2 4.228 1.587 3.484 1.00 0.00 H new ATOM 0 H22 DG A 2 2.518 2.018 3.594 1.00 0.00 H new ATOM 62 P DC A 3 9.124 -3.212 5.872 1.00 0.00 P ATOM 63 OP1 DC A 3 10.566 -2.904 5.748 1.00 0.00 O ATOM 64 OP2 DC A 3 8.647 -4.105 6.952 1.00 0.00 O ATOM 65 O5' DC A 3 8.302 -1.832 5.934 1.00 0.00 O ATOM 66 C5' DC A 3 8.582 -0.784 5.024 1.00 0.00 C ATOM 67 C4' DC A 3 7.840 0.486 5.428 1.00 0.00 C ATOM 68 O4' DC A 3 6.445 0.289 5.312 1.00 0.00 O ATOM 69 C3' DC A 3 8.162 0.907 6.869 1.00 0.00 C ATOM 70 O3' DC A 3 8.696 2.219 6.819 1.00 0.00 O ATOM 71 C2' DC A 3 6.825 0.770 7.578 1.00 0.00 C ATOM 72 C1' DC A 3 5.807 0.831 6.450 1.00 0.00 C ATOM 73 N1 DC A 3 4.649 -0.027 6.803 1.00 0.00 N ATOM 74 C2 DC A 3 3.388 0.535 6.994 1.00 0.00 C ATOM 75 O2 DC A 3 3.194 1.741 6.866 1.00 0.00 O ATOM 76 N3 DC A 3 2.359 -0.294 7.329 1.00 0.00 N ATOM 77 C4 DC A 3 2.544 -1.610 7.505 1.00 0.00 C ATOM 78 N4 DC A 3 1.494 -2.385 7.788 1.00 0.00 N ATOM 79 C5 DC A 3 3.842 -2.196 7.360 1.00 0.00 C ATOM 80 C6 DC A 3 4.845 -1.374 6.988 1.00 0.00 C ATOM 0 H5' DC A 3 8.287 -1.080 4.017 1.00 0.00 H new ATOM 0 H5'' DC A 3 9.655 -0.593 4.999 1.00 0.00 H new ATOM 0 H4' DC A 3 8.170 1.278 4.756 1.00 0.00 H new ATOM 0 H3' DC A 3 8.910 0.318 7.401 1.00 0.00 H new ATOM 0 H2' DC A 3 6.758 -0.169 8.127 1.00 0.00 H new ATOM 0 H2'' DC A 3 6.671 1.572 8.299 1.00 0.00 H new ATOM 0 H1' DC A 3 5.461 1.849 6.273 1.00 0.00 H new ATOM 0 H41 DC A 3 1.622 -3.388 7.924 1.00 0.00 H new ATOM 0 H42 DC A 3 0.564 -1.974 7.868 1.00 0.00 H new ATOM 0 H5 DC A 3 4.011 -3.247 7.540 1.00 0.00 H new ATOM 0 H6 DC A 3 5.831 -1.787 6.831 1.00 0.00 H new ATOM 92 P DT A 4 9.064 3.073 8.133 1.00 0.00 P ATOM 93 OP1 DT A 4 9.934 4.198 7.725 1.00 0.00 O ATOM 94 OP2 DT A 4 9.508 2.143 9.196 1.00 0.00 O ATOM 95 O5' DT A 4 7.627 3.668 8.546 1.00 0.00 O ATOM 96 C5' DT A 4 6.864 4.460 7.655 1.00 0.00 C ATOM 97 C4' DT A 4 5.591 4.944 8.357 1.00 0.00 C ATOM 98 O4' DT A 4 4.700 3.858 8.536 1.00 0.00 O ATOM 99 C3' DT A 4 5.866 5.574 9.727 1.00 0.00 C ATOM 100 O3' DT A 4 5.436 6.924 9.739 1.00 0.00 O ATOM 101 C2' DT A 4 5.102 4.661 10.688 1.00 0.00 C ATOM 102 C1' DT A 4 4.068 3.978 9.795 1.00 0.00 C ATOM 103 N1 DT A 4 3.647 2.620 10.255 1.00 0.00 N ATOM 104 C2 DT A 4 2.283 2.330 10.315 1.00 0.00 C ATOM 105 O2 DT A 4 1.406 3.189 10.262 1.00 0.00 O ATOM 106 N3 DT A 4 1.943 0.991 10.440 1.00 0.00 N ATOM 107 C4 DT A 4 2.820 -0.081 10.511 1.00 0.00 C ATOM 108 O4 DT A 4 2.379 -1.225 10.607 1.00 0.00 O ATOM 109 C5 DT A 4 4.224 0.297 10.462 1.00 0.00 C ATOM 110 C7 DT A 4 5.307 -0.776 10.440 1.00 0.00 C ATOM 111 C6 DT A 4 4.575 1.605 10.353 1.00 0.00 C ATOM 0 H5' DT A 4 6.605 3.881 6.769 1.00 0.00 H new ATOM 0 H5'' DT A 4 7.452 5.314 7.317 1.00 0.00 H new ATOM 0 H4' DT A 4 5.156 5.711 7.716 1.00 0.00 H new ATOM 0 H3' DT A 4 6.919 5.633 10.003 1.00 0.00 H new ATOM 0 H2' DT A 4 5.763 3.936 11.162 1.00 0.00 H new ATOM 0 H2'' DT A 4 4.627 5.229 11.488 1.00 0.00 H new ATOM 0 H1' DT A 4 3.154 4.571 9.793 1.00 0.00 H new ATOM 0 H3 DT A 4 0.948 0.773 10.484 1.00 0.00 H new ATOM 0 H71 DT A 4 6.175 -0.406 9.894 1.00 0.00 H new ATOM 0 H72 DT A 4 5.598 -1.020 11.462 1.00 0.00 H new ATOM 0 H73 DT A 4 4.923 -1.670 9.948 1.00 0.00 H new ATOM 0 H6 DT A 4 5.624 1.860 10.343 1.00 0.00 H new ATOM 124 P DA A 5 5.569 7.867 11.046 1.00 0.00 P ATOM 125 OP1 DA A 5 5.746 9.266 10.599 1.00 0.00 O ATOM 126 OP2 DA A 5 6.542 7.261 11.983 1.00 0.00 O ATOM 127 O5' DA A 5 4.094 7.718 11.676 1.00 0.00 O ATOM 128 C5' DA A 5 2.975 8.219 10.976 1.00 0.00 C ATOM 129 C4' DA A 5 1.668 7.838 11.647 1.00 0.00 C ATOM 130 O4' DA A 5 1.537 6.437 11.742 1.00 0.00 O ATOM 131 C3' DA A 5 1.521 8.444 13.048 1.00 0.00 C ATOM 132 O3' DA A 5 0.400 9.301 12.978 1.00 0.00 O ATOM 133 C2' DA A 5 1.463 7.213 13.941 1.00 0.00 C ATOM 134 C1' DA A 5 0.965 6.135 12.995 1.00 0.00 C ATOM 135 N9 DA A 5 1.390 4.765 13.350 1.00 0.00 N ATOM 136 C8 DA A 5 2.657 4.276 13.563 1.00 0.00 C ATOM 137 N7 DA A 5 2.722 2.975 13.659 1.00 0.00 N ATOM 138 C5 DA A 5 1.401 2.570 13.508 1.00 0.00 C ATOM 139 C6 DA A 5 0.767 1.308 13.500 1.00 0.00 C ATOM 140 N6 DA A 5 1.431 0.153 13.626 1.00 0.00 N ATOM 141 N1 DA A 5 -0.572 1.271 13.354 1.00 0.00 N ATOM 142 C2 DA A 5 -1.239 2.412 13.190 1.00 0.00 C ATOM 143 N3 DA A 5 -0.760 3.646 13.134 1.00 0.00 N ATOM 144 C4 DA A 5 0.586 3.657 13.314 1.00 0.00 C ATOM 0 H5' DA A 5 2.984 7.836 9.956 1.00 0.00 H new ATOM 0 H5'' DA A 5 3.045 9.305 10.909 1.00 0.00 H new ATOM 0 H4' DA A 5 0.879 8.245 11.015 1.00 0.00 H new ATOM 0 H3' DA A 5 2.307 9.083 13.450 1.00 0.00 H new ATOM 0 H2' DA A 5 2.441 6.967 14.355 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.786 7.356 14.784 1.00 0.00 H new ATOM 0 H1' DA A 5 -0.125 6.138 13.022 1.00 0.00 H new ATOM 0 H8 DA A 5 3.525 4.913 13.644 1.00 0.00 H new ATOM 0 H61 DA A 5 0.923 -0.731 13.614 1.00 0.00 H new ATOM 0 H62 DA A 5 2.445 0.157 13.734 1.00 0.00 H new ATOM 0 H2 DA A 5 -2.310 2.319 13.090 1.00 0.00 H new ATOM 156 P DG A 6 -0.171 10.102 14.241 1.00 0.00 P ATOM 157 OP1 DG A 6 -0.912 11.290 13.763 1.00 0.00 O ATOM 158 OP2 DG A 6 0.891 10.239 15.262 1.00 0.00 O ATOM 159 O5' DG A 6 -1.217 8.997 14.721 1.00 0.00 O ATOM 160 C5' DG A 6 -2.337 8.649 13.929 1.00 0.00 C ATOM 161 C4' DG A 6 -3.060 7.489 14.608 1.00 0.00 C ATOM 162 O4' DG A 6 -2.301 6.284 14.478 1.00 0.00 O ATOM 163 C3' DG A 6 -3.226 7.793 16.108 1.00 0.00 C ATOM 164 O3' DG A 6 -4.563 7.640 16.540 1.00 0.00 O ATOM 165 C2' DG A 6 -2.263 6.770 16.680 1.00 0.00 C ATOM 166 C1' DG A 6 -2.389 5.615 15.717 1.00 0.00 C ATOM 167 N9 DG A 6 -1.356 4.594 16.012 1.00 0.00 N ATOM 168 C8 DG A 6 -0.022 4.755 16.304 1.00 0.00 C ATOM 169 N7 DG A 6 0.612 3.648 16.560 1.00 0.00 N ATOM 170 C5 DG A 6 -0.377 2.679 16.470 1.00 0.00 C ATOM 171 C6 DG A 6 -0.289 1.271 16.659 1.00 0.00 C ATOM 172 O6 DG A 6 0.722 0.605 16.855 1.00 0.00 O ATOM 173 N1 DG A 6 -1.533 0.651 16.601 1.00 0.00 N ATOM 174 C2 DG A 6 -2.725 1.303 16.349 1.00 0.00 C ATOM 175 N2 DG A 6 -3.840 0.566 16.373 1.00 0.00 N ATOM 176 N3 DG A 6 -2.800 2.623 16.121 1.00 0.00 N ATOM 177 C4 DG A 6 -1.595 3.252 16.197 1.00 0.00 C ATOM 0 H5' DG A 6 -2.019 8.364 12.926 1.00 0.00 H new ATOM 0 H5'' DG A 6 -3.006 9.503 13.821 1.00 0.00 H new ATOM 0 H4' DG A 6 -4.033 7.364 14.132 1.00 0.00 H new ATOM 0 H3' DG A 6 -3.013 8.818 16.413 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.243 7.153 16.720 1.00 0.00 H new ATOM 0 H2'' DG A 6 -2.536 6.482 17.695 1.00 0.00 H new ATOM 0 H1' DG A 6 -3.301 5.019 15.761 1.00 0.00 H new ATOM 0 H8 DG A 6 0.460 5.721 16.320 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.568 -0.357 16.755 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.744 1.003 16.193 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.787 -0.433 16.571 1.00 0.00 H new ATOM 189 P DC A 7 -4.999 7.838 18.089 1.00 0.00 P ATOM 190 OP1 DC A 7 -6.289 8.561 18.121 1.00 0.00 O ATOM 191 OP2 DC A 7 -3.849 8.347 18.870 1.00 0.00 O ATOM 192 O5' DC A 7 -5.261 6.303 18.502 1.00 0.00 O ATOM 193 C5' DC A 7 -6.162 5.542 17.730 1.00 0.00 C ATOM 194 C4' DC A 7 -6.494 4.162 18.287 1.00 0.00 C ATOM 195 O4' DC A 7 -5.397 3.292 18.103 1.00 0.00 O ATOM 196 C3' DC A 7 -6.910 4.179 19.758 1.00 0.00 C ATOM 197 O3' DC A 7 -8.098 3.417 19.901 1.00 0.00 O ATOM 198 C2' DC A 7 -5.683 3.569 20.405 1.00 0.00 C ATOM 199 C1' DC A 7 -5.101 2.664 19.327 1.00 0.00 C ATOM 200 N1 DC A 7 -3.624 2.593 19.462 1.00 0.00 N ATOM 201 C2 DC A 7 -2.987 1.377 19.729 1.00 0.00 C ATOM 202 O2 DC A 7 -3.619 0.332 19.860 1.00 0.00 O ATOM 203 N3 DC A 7 -1.625 1.372 19.841 1.00 0.00 N ATOM 204 C4 DC A 7 -0.914 2.505 19.715 1.00 0.00 C ATOM 205 N4 DC A 7 0.419 2.450 19.788 1.00 0.00 N ATOM 206 C5 DC A 7 -1.553 3.755 19.428 1.00 0.00 C ATOM 207 C6 DC A 7 -2.892 3.743 19.296 1.00 0.00 C ATOM 0 H5' DC A 7 -5.746 5.421 16.730 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.089 6.105 17.624 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.359 3.803 17.729 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.158 5.144 20.199 1.00 0.00 H new ATOM 0 H2' DC A 7 -4.970 4.336 20.708 1.00 0.00 H new ATOM 0 H2'' DC A 7 -5.944 3.005 21.300 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.509 1.656 19.399 1.00 0.00 H new ATOM 0 H41 DC A 7 0.971 3.303 19.694 1.00 0.00 H new ATOM 0 H42 DC A 7 0.885 1.555 19.938 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.985 4.667 19.322 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.405 4.662 19.053 1.00 0.00 H new ATOM 219 P DG A 8 -8.895 3.295 21.300 1.00 0.00 P ATOM 220 OP1 DG A 8 -10.236 2.736 21.022 1.00 0.00 O ATOM 221 OP2 DG A 8 -8.769 4.573 22.035 1.00 0.00 O ATOM 222 O5' DG A 8 -8.039 2.179 22.080 1.00 0.00 O ATOM 223 C5' DG A 8 -7.910 0.867 21.571 1.00 0.00 C ATOM 224 C4' DG A 8 -6.990 0.028 22.464 1.00 0.00 C ATOM 225 O4' DG A 8 -5.638 0.326 22.156 1.00 0.00 O ATOM 226 C3' DG A 8 -7.179 0.261 23.975 1.00 0.00 C ATOM 227 O3' DG A 8 -7.308 -0.964 24.668 1.00 0.00 O ATOM 228 C2' DG A 8 -5.879 0.954 24.365 1.00 0.00 C ATOM 229 C1' DG A 8 -4.920 0.322 23.367 1.00 0.00 C ATOM 230 N9 DG A 8 -3.630 1.035 23.243 1.00 0.00 N ATOM 231 C8 DG A 8 -3.375 2.383 23.180 1.00 0.00 C ATOM 232 N7 DG A 8 -2.111 2.674 23.028 1.00 0.00 N ATOM 233 C5 DG A 8 -1.479 1.434 22.991 1.00 0.00 C ATOM 234 C6 DG A 8 -0.097 1.097 22.837 1.00 0.00 C ATOM 235 O6 DG A 8 0.859 1.855 22.699 1.00 0.00 O ATOM 236 N1 DG A 8 0.122 -0.280 22.855 1.00 0.00 N ATOM 237 C2 DG A 8 -0.872 -1.225 23.017 1.00 0.00 C ATOM 238 N2 DG A 8 -0.502 -2.509 23.037 1.00 0.00 N ATOM 239 N3 DG A 8 -2.169 -0.912 23.148 1.00 0.00 N ATOM 240 C4 DG A 8 -2.404 0.427 23.125 1.00 0.00 C ATOM 0 H5' DG A 8 -7.509 0.902 20.558 1.00 0.00 H new ATOM 0 H5'' DG A 8 -8.892 0.398 21.509 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.253 -1.010 22.258 1.00 0.00 H new ATOM 0 H3' DG A 8 -8.076 0.832 24.213 1.00 0.00 H new ATOM 0 H2' DG A 8 -5.937 2.037 24.256 1.00 0.00 H new ATOM 0 H2'' DG A 8 -5.595 0.753 25.398 1.00 0.00 H new ATOM 0 HO3' DG A 8 -7.425 -0.788 25.625 1.00 0.00 H new ATOM 0 H1' DG A 8 -4.623 -0.677 23.687 1.00 0.00 H new ATOM 0 H8 DG A 8 -4.149 3.133 23.250 1.00 0.00 H new ATOM 0 H1 DG A 8 1.080 -0.611 22.741 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.203 -3.240 23.155 1.00 0.00 H new ATOM 0 H22 DG A 8 0.482 -2.758 22.935 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 6.852 -6.033 26.186 1.00 0.00 O ATOM 255 C5' DC B 1 7.287 -6.180 24.851 1.00 0.00 C ATOM 256 C4' DC B 1 6.086 -6.159 23.901 1.00 0.00 C ATOM 257 O4' DC B 1 5.431 -4.907 23.929 1.00 0.00 O ATOM 258 C3' DC B 1 6.467 -6.448 22.446 1.00 0.00 C ATOM 259 O3' DC B 1 6.169 -7.825 22.253 1.00 0.00 O ATOM 260 C2' DC B 1 5.571 -5.446 21.670 1.00 0.00 C ATOM 261 C1' DC B 1 4.673 -4.820 22.744 1.00 0.00 C ATOM 262 N1 DC B 1 4.288 -3.414 22.462 1.00 0.00 N ATOM 263 C2 DC B 1 2.947 -3.023 22.415 1.00 0.00 C ATOM 264 O2 DC B 1 2.037 -3.838 22.545 1.00 0.00 O ATOM 265 N3 DC B 1 2.664 -1.700 22.220 1.00 0.00 N ATOM 266 C4 DC B 1 3.645 -0.795 22.068 1.00 0.00 C ATOM 267 N4 DC B 1 3.320 0.487 21.867 1.00 0.00 N ATOM 268 C5 DC B 1 5.027 -1.174 22.171 1.00 0.00 C ATOM 269 C6 DC B 1 5.279 -2.486 22.374 1.00 0.00 C ATOM 0 H5' DC B 1 7.833 -7.117 24.739 1.00 0.00 H new ATOM 0 H5'' DC B 1 7.977 -5.376 24.595 1.00 0.00 H new ATOM 0 H4' DC B 1 5.427 -6.950 24.260 1.00 0.00 H new ATOM 0 H3' DC B 1 7.502 -6.314 22.132 1.00 0.00 H new ATOM 0 H2' DC B 1 6.169 -4.689 21.163 1.00 0.00 H new ATOM 0 H2'' DC B 1 4.981 -5.951 20.905 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.627 -6.049 26.786 1.00 0.00 H new ATOM 0 H1' DC B 1 3.720 -5.346 22.799 1.00 0.00 H new ATOM 0 H41 DC B 1 4.053 1.187 21.750 1.00 0.00 H new ATOM 0 H42 DC B 1 2.339 0.765 21.831 1.00 0.00 H new ATOM 0 H5 DC B 1 5.823 -0.448 22.090 1.00 0.00 H new ATOM 0 H6 DC B 1 6.305 -2.810 22.470 1.00 0.00 H new ATOM 282 P DG B 2 5.898 -8.509 20.820 1.00 0.00 P ATOM 283 OP1 DG B 2 5.994 -9.976 20.988 1.00 0.00 O ATOM 284 OP2 DG B 2 6.734 -7.827 19.808 1.00 0.00 O ATOM 285 O5' DG B 2 4.351 -8.134 20.545 1.00 0.00 O ATOM 286 C5' DG B 2 3.329 -8.385 21.497 1.00 0.00 C ATOM 287 C4' DG B 2 1.955 -8.052 20.930 1.00 0.00 C ATOM 288 O4' DG B 2 1.767 -6.648 21.011 1.00 0.00 O ATOM 289 C3' DG B 2 1.770 -8.497 19.474 1.00 0.00 C ATOM 290 O3' DG B 2 0.490 -9.089 19.376 1.00 0.00 O ATOM 291 C2' DG B 2 1.951 -7.147 18.793 1.00 0.00 C ATOM 292 C1' DG B 2 1.241 -6.233 19.780 1.00 0.00 C ATOM 293 N9 DG B 2 1.531 -4.806 19.522 1.00 0.00 N ATOM 294 C8 DG B 2 2.727 -4.264 19.138 1.00 0.00 C ATOM 295 N7 DG B 2 2.740 -2.964 19.083 1.00 0.00 N ATOM 296 C5 DG B 2 1.441 -2.611 19.430 1.00 0.00 C ATOM 297 C6 DG B 2 0.851 -1.320 19.556 1.00 0.00 C ATOM 298 O6 DG B 2 1.409 -0.229 19.485 1.00 0.00 O ATOM 299 N1 DG B 2 -0.520 -1.381 19.788 1.00 0.00 N ATOM 300 C2 DG B 2 -1.224 -2.555 19.983 1.00 0.00 C ATOM 301 N2 DG B 2 -2.539 -2.445 20.195 1.00 0.00 N ATOM 302 N3 DG B 2 -0.648 -3.770 19.965 1.00 0.00 N ATOM 303 C4 DG B 2 0.680 -3.733 19.668 1.00 0.00 C ATOM 0 H5' DG B 2 3.509 -7.791 22.393 1.00 0.00 H new ATOM 0 H5'' DG B 2 3.357 -9.432 21.797 1.00 0.00 H new ATOM 0 H4' DG B 2 1.219 -8.598 21.520 1.00 0.00 H new ATOM 0 H3' DG B 2 2.431 -9.249 19.044 1.00 0.00 H new ATOM 0 H2' DG B 2 3.002 -6.884 18.669 1.00 0.00 H new ATOM 0 H2'' DG B 2 1.496 -7.119 17.803 1.00 0.00 H new ATOM 0 H1' DG B 2 0.155 -6.304 19.722 1.00 0.00 H new ATOM 0 H8 DG B 2 3.591 -4.867 18.900 1.00 0.00 H new ATOM 0 H1 DG B 2 -1.039 -0.503 19.816 1.00 0.00 H new ATOM 0 H21 DG B 2 -3.103 -3.282 20.344 1.00 0.00 H new ATOM 0 H22 DG B 2 -2.978 -1.525 20.207 1.00 0.00 H new ATOM 315 P DC B 3 -0.229 -9.408 17.978 1.00 0.00 P ATOM 316 OP1 DC B 3 -1.011 -10.655 18.124 1.00 0.00 O ATOM 317 OP2 DC B 3 0.748 -9.271 16.875 1.00 0.00 O ATOM 318 O5' DC B 3 -1.245 -8.162 17.930 1.00 0.00 O ATOM 319 C5' DC B 3 -2.326 -8.070 18.841 1.00 0.00 C ATOM 320 C4' DC B 3 -3.249 -6.924 18.431 1.00 0.00 C ATOM 321 O4' DC B 3 -2.567 -5.688 18.503 1.00 0.00 O ATOM 322 C3' DC B 3 -3.800 -7.101 17.008 1.00 0.00 C ATOM 323 O3' DC B 3 -5.217 -7.122 17.079 1.00 0.00 O ATOM 324 C2' DC B 3 -3.218 -5.913 16.265 1.00 0.00 C ATOM 325 C1' DC B 3 -2.899 -4.916 17.368 1.00 0.00 C ATOM 326 N1 DC B 3 -1.712 -4.123 16.968 1.00 0.00 N ATOM 327 C2 DC B 3 -1.810 -2.747 16.776 1.00 0.00 C ATOM 328 O2 DC B 3 -2.874 -2.148 16.916 1.00 0.00 O ATOM 329 N3 DC B 3 -0.682 -2.068 16.423 1.00 0.00 N ATOM 330 C4 DC B 3 0.489 -2.694 16.239 1.00 0.00 C ATOM 331 N4 DC B 3 1.573 -1.970 15.950 1.00 0.00 N ATOM 332 C5 DC B 3 0.594 -4.115 16.388 1.00 0.00 C ATOM 333 C6 DC B 3 -0.519 -4.771 16.770 1.00 0.00 C ATOM 0 H5' DC B 3 -1.950 -7.904 19.851 1.00 0.00 H new ATOM 0 H5'' DC B 3 -2.881 -9.008 18.858 1.00 0.00 H new ATOM 0 H4' DC B 3 -4.086 -6.934 19.129 1.00 0.00 H new ATOM 0 H3' DC B 3 -3.531 -8.026 16.498 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.325 -6.190 15.705 1.00 0.00 H new ATOM 0 H2'' DC B 3 -3.929 -5.502 15.548 1.00 0.00 H new ATOM 0 H1' DC B 3 -3.733 -4.242 17.561 1.00 0.00 H new ATOM 0 H41 DC B 3 2.471 -2.432 15.807 1.00 0.00 H new ATOM 0 H42 DC B 3 1.503 -0.955 15.872 1.00 0.00 H new ATOM 0 H5 DC B 3 1.522 -4.636 16.203 1.00 0.00 H new ATOM 0 H6 DC B 3 -0.471 -5.839 16.925 1.00 0.00 H new ATOM 345 P DT B 4 -6.165 -7.205 15.776 1.00 0.00 P ATOM 346 OP1 DT B 4 -7.521 -7.599 16.219 1.00 0.00 O ATOM 347 OP2 DT B 4 -5.470 -7.996 14.736 1.00 0.00 O ATOM 348 O5' DT B 4 -6.220 -5.669 15.291 1.00 0.00 O ATOM 349 C5' DT B 4 -6.669 -4.637 16.152 1.00 0.00 C ATOM 350 C4' DT B 4 -6.673 -3.287 15.429 1.00 0.00 C ATOM 351 O4' DT B 4 -5.339 -2.845 15.256 1.00 0.00 O ATOM 352 C3' DT B 4 -7.353 -3.340 14.057 1.00 0.00 C ATOM 353 O3' DT B 4 -8.450 -2.447 13.999 1.00 0.00 O ATOM 354 C2' DT B 4 -6.216 -2.979 13.100 1.00 0.00 C ATOM 355 C1' DT B 4 -5.212 -2.247 13.984 1.00 0.00 C ATOM 356 N1 DT B 4 -3.798 -2.376 13.528 1.00 0.00 N ATOM 357 C2 DT B 4 -3.027 -1.221 13.409 1.00 0.00 C ATOM 358 O2 DT B 4 -3.500 -0.088 13.428 1.00 0.00 O ATOM 359 N3 DT B 4 -1.661 -1.408 13.264 1.00 0.00 N ATOM 360 C4 DT B 4 -0.997 -2.625 13.216 1.00 0.00 C ATOM 361 O4 DT B 4 0.226 -2.650 13.101 1.00 0.00 O ATOM 362 C5 DT B 4 -1.868 -3.784 13.312 1.00 0.00 C ATOM 363 C7 DT B 4 -1.272 -5.185 13.322 1.00 0.00 C ATOM 364 C6 DT B 4 -3.209 -3.619 13.452 1.00 0.00 C ATOM 0 H5' DT B 4 -6.024 -4.583 17.029 1.00 0.00 H new ATOM 0 H5'' DT B 4 -7.673 -4.866 16.509 1.00 0.00 H new ATOM 0 H4' DT B 4 -7.244 -2.598 16.051 1.00 0.00 H new ATOM 0 H3' DT B 4 -7.795 -4.306 13.812 1.00 0.00 H new ATOM 0 H2' DT B 4 -5.777 -3.868 12.648 1.00 0.00 H new ATOM 0 H2'' DT B 4 -6.566 -2.346 12.284 1.00 0.00 H new ATOM 0 H1' DT B 4 -5.428 -1.179 13.967 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.088 -0.568 13.185 1.00 0.00 H new ATOM 0 H71 DT B 4 -1.913 -5.849 13.901 1.00 0.00 H new ATOM 0 H72 DT B 4 -1.195 -5.555 12.300 1.00 0.00 H new ATOM 0 H73 DT B 4 -0.280 -5.155 13.772 1.00 0.00 H new ATOM 0 H6 DT B 4 -3.837 -4.496 13.506 1.00 0.00 H new ATOM 377 P DA B 5 -9.339 -2.269 12.659 1.00 0.00 P ATOM 378 OP1 DA B 5 -10.694 -1.824 13.052 1.00 0.00 O ATOM 379 OP2 DA B 5 -9.174 -3.471 11.811 1.00 0.00 O ATOM 380 O5' DA B 5 -8.580 -1.038 11.947 1.00 0.00 O ATOM 381 C5' DA B 5 -8.659 0.257 12.500 1.00 0.00 C ATOM 382 C4' DA B 5 -7.801 1.283 11.765 1.00 0.00 C ATOM 383 O4' DA B 5 -6.450 0.857 11.769 1.00 0.00 O ATOM 384 C3' DA B 5 -8.245 1.439 10.303 1.00 0.00 C ATOM 385 O3' DA B 5 -8.046 2.741 9.805 1.00 0.00 O ATOM 386 C2' DA B 5 -7.228 0.577 9.594 1.00 0.00 C ATOM 387 C1' DA B 5 -5.994 0.904 10.436 1.00 0.00 C ATOM 388 N9 DA B 5 -4.885 -0.044 10.233 1.00 0.00 N ATOM 389 C8 DA B 5 -4.932 -1.399 10.055 1.00 0.00 C ATOM 390 N7 DA B 5 -3.757 -1.972 9.998 1.00 0.00 N ATOM 391 C5 DA B 5 -2.865 -0.908 10.123 1.00 0.00 C ATOM 392 C6 DA B 5 -1.453 -0.804 10.135 1.00 0.00 C ATOM 393 N6 DA B 5 -0.625 -1.853 10.061 1.00 0.00 N ATOM 394 N1 DA B 5 -0.906 0.423 10.233 1.00 0.00 N ATOM 395 C2 DA B 5 -1.704 1.482 10.339 1.00 0.00 C ATOM 396 N3 DA B 5 -3.028 1.517 10.381 1.00 0.00 N ATOM 397 C4 DA B 5 -3.554 0.272 10.261 1.00 0.00 C ATOM 0 H5' DA B 5 -8.350 0.217 13.545 1.00 0.00 H new ATOM 0 H5'' DA B 5 -9.698 0.587 12.487 1.00 0.00 H new ATOM 0 H4' DA B 5 -7.913 2.238 12.278 1.00 0.00 H new ATOM 0 H3' DA B 5 -9.301 1.198 10.180 1.00 0.00 H new ATOM 0 H2' DA B 5 -7.485 -0.482 9.620 1.00 0.00 H new ATOM 0 H2'' DA B 5 -7.105 0.850 8.546 1.00 0.00 H new ATOM 0 H1' DA B 5 -5.583 1.874 10.156 1.00 0.00 H new ATOM 0 H8 DA B 5 -5.858 -1.948 9.969 1.00 0.00 H new ATOM 0 H61 DA B 5 0.385 -1.708 10.075 1.00 0.00 H new ATOM 0 H62 DA B 5 -1.004 -2.798 9.991 1.00 0.00 H new ATOM 0 H2 DA B 5 -1.207 2.439 10.399 1.00 0.00 H new ATOM 409 P DG B 6 -9.103 3.923 10.021 1.00 0.00 P ATOM 410 OP1 DG B 6 -9.258 4.191 11.468 1.00 0.00 O ATOM 411 OP2 DG B 6 -10.291 3.660 9.179 1.00 0.00 O ATOM 412 O5' DG B 6 -8.253 5.113 9.360 1.00 0.00 O ATOM 413 C5' DG B 6 -6.968 5.461 9.842 1.00 0.00 C ATOM 414 C4' DG B 6 -5.828 5.201 8.839 1.00 0.00 C ATOM 415 O4' DG B 6 -5.103 3.977 8.979 1.00 0.00 O ATOM 416 C3' DG B 6 -6.184 5.318 7.348 1.00 0.00 C ATOM 417 O3' DG B 6 -5.823 6.601 6.866 1.00 0.00 O ATOM 418 C2' DG B 6 -5.445 4.133 6.741 1.00 0.00 C ATOM 419 C1' DG B 6 -4.384 3.796 7.762 1.00 0.00 C ATOM 420 N9 DG B 6 -3.780 2.465 7.497 1.00 0.00 N ATOM 421 C8 DG B 6 -4.370 1.260 7.187 1.00 0.00 C ATOM 422 N7 DG B 6 -3.532 0.286 6.983 1.00 0.00 N ATOM 423 C5 DG B 6 -2.291 0.889 7.115 1.00 0.00 C ATOM 424 C6 DG B 6 -0.989 0.331 6.986 1.00 0.00 C ATOM 425 O6 DG B 6 -0.694 -0.850 6.834 1.00 0.00 O ATOM 426 N1 DG B 6 0.012 1.296 7.051 1.00 0.00 N ATOM 427 C2 DG B 6 -0.210 2.642 7.264 1.00 0.00 C ATOM 428 N2 DG B 6 0.856 3.448 7.268 1.00 0.00 N ATOM 429 N3 DG B 6 -1.434 3.159 7.443 1.00 0.00 N ATOM 430 C4 DG B 6 -2.431 2.234 7.355 1.00 0.00 C ATOM 0 H5' DG B 6 -6.770 4.899 10.755 1.00 0.00 H new ATOM 0 H5'' DG B 6 -6.967 6.517 10.111 1.00 0.00 H new ATOM 0 H4' DG B 6 -5.194 6.035 9.140 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.243 5.262 7.096 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.115 3.291 6.570 1.00 0.00 H new ATOM 0 H2'' DG B 6 -5.004 4.390 5.778 1.00 0.00 H new ATOM 0 H1' DG B 6 -3.484 4.410 7.762 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.440 1.134 7.119 1.00 0.00 H new ATOM 0 H1 DG B 6 0.977 0.987 6.933 1.00 0.00 H new ATOM 0 H21 DG B 6 0.738 4.449 7.422 1.00 0.00 H new ATOM 0 H22 DG B 6 1.788 3.062 7.117 1.00 0.00 H new ATOM 442 P DC B 7 -5.790 6.993 5.296 1.00 0.00 P ATOM 443 OP1 DC B 7 -6.090 8.436 5.171 1.00 0.00 O ATOM 444 OP2 DC B 7 -6.579 6.006 4.525 1.00 0.00 O ATOM 445 O5' DC B 7 -4.223 6.771 4.973 1.00 0.00 O ATOM 446 C5' DC B 7 -3.249 7.390 5.791 1.00 0.00 C ATOM 447 C4' DC B 7 -1.821 7.283 5.255 1.00 0.00 C ATOM 448 O4' DC B 7 -1.325 5.967 5.424 1.00 0.00 O ATOM 449 C3' DC B 7 -1.690 7.717 3.799 1.00 0.00 C ATOM 450 O3' DC B 7 -0.566 8.574 3.667 1.00 0.00 O ATOM 451 C2' DC B 7 -1.530 6.363 3.152 1.00 0.00 C ATOM 452 C1' DC B 7 -0.807 5.514 4.194 1.00 0.00 C ATOM 453 N1 DC B 7 -1.153 4.077 4.035 1.00 0.00 N ATOM 454 C2 DC B 7 -0.166 3.095 3.894 1.00 0.00 C ATOM 455 O2 DC B 7 1.027 3.382 3.829 1.00 0.00 O ATOM 456 N3 DC B 7 -0.562 1.787 3.828 1.00 0.00 N ATOM 457 C4 DC B 7 -1.862 1.449 3.899 1.00 0.00 C ATOM 458 N4 DC B 7 -2.209 0.161 3.856 1.00 0.00 N ATOM 459 C5 DC B 7 -2.880 2.443 4.064 1.00 0.00 C ATOM 460 C6 DC B 7 -2.471 3.723 4.129 1.00 0.00 C ATOM 0 H5' DC B 7 -3.287 6.942 6.784 1.00 0.00 H new ATOM 0 H5'' DC B 7 -3.504 8.443 5.906 1.00 0.00 H new ATOM 0 H4' DC B 7 -1.219 7.977 5.841 1.00 0.00 H new ATOM 0 H3' DC B 7 -2.504 8.297 3.365 1.00 0.00 H new ATOM 0 H2' DC B 7 -2.497 5.932 2.893 1.00 0.00 H new ATOM 0 H2'' DC B 7 -0.954 6.431 2.229 1.00 0.00 H new ATOM 0 H1' DC B 7 0.276 5.604 4.110 1.00 0.00 H new ATOM 0 H41 DC B 7 -3.192 -0.104 3.909 1.00 0.00 H new ATOM 0 H42 DC B 7 -1.491 -0.558 3.770 1.00 0.00 H new ATOM 0 H5 DC B 7 -3.925 2.178 4.133 1.00 0.00 H new ATOM 0 H6 DC B 7 -3.210 4.499 4.260 1.00 0.00 H new ATOM 472 P DG B 8 -0.153 9.271 2.269 1.00 0.00 P ATOM 473 OP1 DG B 8 0.771 10.388 2.563 1.00 0.00 O ATOM 474 OP2 DG B 8 -1.381 9.520 1.480 1.00 0.00 O ATOM 475 O5' DG B 8 0.685 8.105 1.542 1.00 0.00 O ATOM 476 C5' DG B 8 1.893 7.620 2.091 1.00 0.00 C ATOM 477 C4' DG B 8 2.447 6.472 1.242 1.00 0.00 C ATOM 478 O4' DG B 8 1.712 5.291 1.516 1.00 0.00 O ATOM 479 C3' DG B 8 2.374 6.723 -0.275 1.00 0.00 C ATOM 480 O3' DG B 8 3.596 6.394 -0.904 1.00 0.00 O ATOM 481 C2' DG B 8 1.287 5.743 -0.707 1.00 0.00 C ATOM 482 C1' DG B 8 1.531 4.620 0.292 1.00 0.00 C ATOM 483 N9 DG B 8 0.437 3.628 0.372 1.00 0.00 N ATOM 484 C8 DG B 8 -0.924 3.818 0.365 1.00 0.00 C ATOM 485 N7 DG B 8 -1.612 2.719 0.516 1.00 0.00 N ATOM 486 C5 DG B 8 -0.644 1.724 0.621 1.00 0.00 C ATOM 487 C6 DG B 8 -0.779 0.311 0.797 1.00 0.00 C ATOM 488 O6 DG B 8 -1.812 -0.345 0.906 1.00 0.00 O ATOM 489 N1 DG B 8 0.452 -0.342 0.842 1.00 0.00 N ATOM 490 C2 DG B 8 1.674 0.291 0.719 1.00 0.00 C ATOM 491 N2 DG B 8 2.767 -0.477 0.747 1.00 0.00 N ATOM 492 N3 DG B 8 1.803 1.617 0.569 1.00 0.00 N ATOM 493 C4 DG B 8 0.612 2.274 0.528 1.00 0.00 C ATOM 0 H5' DG B 8 1.723 7.276 3.111 1.00 0.00 H new ATOM 0 H5'' DG B 8 2.624 8.426 2.144 1.00 0.00 H new ATOM 0 H4' DG B 8 3.499 6.382 1.512 1.00 0.00 H new ATOM 0 H3' DG B 8 2.174 7.763 -0.533 1.00 0.00 H new ATOM 0 H2' DG B 8 0.286 6.167 -0.622 1.00 0.00 H new ATOM 0 H2'' DG B 8 1.408 5.416 -1.740 1.00 0.00 H new ATOM 0 HO3' DG B 8 3.523 6.561 -1.867 1.00 0.00 H new ATOM 0 H1' DG B 8 2.388 4.016 -0.005 1.00 0.00 H new ATOM 0 H8 DG B 8 -1.383 4.788 0.245 1.00 0.00 H new ATOM 0 H1 DG B 8 0.450 -1.353 0.974 1.00 0.00 H new ATOM 0 H21 DG B 8 3.691 -0.053 0.660 1.00 0.00 H new ATOM 0 H22 DG B 8 2.678 -1.487 0.856 1.00 0.00 H new TER 506 DG B 8