USER MOD reduce.3.24.130724 H: found=0, std=0, add=135, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 135 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 DG O5' : rot 20:sc= 0.0772 USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -5.947 -8.666 4.553 1.00 73.52 O ATOM 2 C5' DG A 1 -5.591 -9.978 4.982 1.00 30.23 C ATOM 3 C4' DG A 1 -4.613 -10.596 4.009 1.00 14.44 C ATOM 4 O4' DG A 1 -5.046 -10.443 2.697 1.00 40.33 O ATOM 5 C3' DG A 1 -3.320 -9.807 3.828 1.00 63.41 C ATOM 6 O3' DG A 1 -2.420 -10.121 4.889 1.00 4.51 O ATOM 7 C2' DG A 1 -2.773 -10.240 2.495 1.00 75.12 C ATOM 8 C1' DG A 1 -4.062 -10.373 1.690 1.00 33.12 C ATOM 9 N9 DG A 1 -4.309 -9.235 0.780 1.00 42.12 N ATOM 10 C8 DG A 1 -5.385 -8.419 0.761 1.00 63.02 C ATOM 11 N7 DG A 1 -5.303 -7.487 -0.184 1.00 0.20 N ATOM 12 C5 DG A 1 -4.103 -7.738 -0.792 1.00 14.12 C ATOM 13 C6 DG A 1 -3.447 -7.099 -1.864 1.00 25.20 C ATOM 14 O6 DG A 1 -3.876 -6.128 -2.486 1.00 74.24 O ATOM 15 N1 DG A 1 -2.238 -7.595 -2.244 1.00 41.00 N ATOM 16 C2 DG A 1 -1.741 -8.662 -1.579 1.00 31.52 C ATOM 17 N2 DG A 1 -0.557 -9.027 -2.068 1.00 2.30 N ATOM 18 N3 DG A 1 -2.275 -9.346 -0.551 1.00 65.53 N ATOM 19 C4 DG A 1 -3.479 -8.801 -0.219 1.00 12.30 C ATOM 0 H5' DG A 1 -6.484 -10.599 5.056 1.00 30.23 H new ATOM 0 H5'' DG A 1 -5.148 -9.936 5.977 1.00 30.23 H new ATOM 0 H4' DG A 1 -4.505 -11.602 4.416 1.00 14.44 H new ATOM 0 H3' DG A 1 -3.475 -8.728 3.853 1.00 63.41 H new ATOM 0 H2' DG A 1 -2.093 -9.503 2.068 1.00 75.12 H new ATOM 0 H2'' DG A 1 -2.226 -11.181 2.558 1.00 75.12 H new ATOM 0 HO5' DG A 1 -5.745 -8.568 3.599 1.00 73.52 H new ATOM 0 H1' DG A 1 -4.040 -11.234 1.022 1.00 33.12 H new ATOM 0 H8 DG A 1 -6.220 -8.513 1.439 1.00 63.02 H new ATOM 0 H1 DG A 1 -1.719 -7.171 -3.013 1.00 41.00 H new ATOM 0 H21 DG A 1 -0.061 -9.821 -1.663 1.00 2.30 H new ATOM 0 H22 DG A 1 -0.147 -8.513 -2.848 1.00 2.30 H new ATOM 32 P DG A 2 -1.683 -8.948 5.686 1.00 64.41 P ATOM 33 OP1 DG A 2 -2.268 -8.819 7.040 1.00 71.41 O ATOM 34 OP2 DG A 2 -1.629 -7.730 4.846 1.00 15.24 O ATOM 35 O5' DG A 2 -0.191 -9.505 5.845 1.00 20.43 O ATOM 36 C5' DG A 2 0.374 -10.333 4.830 1.00 73.20 C ATOM 37 C4' DG A 2 0.925 -9.480 3.710 1.00 54.31 C ATOM 38 O4' DG A 2 -0.104 -8.859 3.036 1.00 51.41 O ATOM 39 C3' DG A 2 1.623 -8.204 4.173 1.00 73.41 C ATOM 40 O3' DG A 2 2.979 -8.499 4.505 1.00 55.44 O ATOM 41 C2' DG A 2 1.533 -7.257 3.009 1.00 40.13 C ATOM 42 C1' DG A 2 0.530 -7.989 2.124 1.00 14.20 C ATOM 43 N9 DG A 2 -0.448 -7.091 1.475 1.00 54.25 N ATOM 44 C8 DG A 2 -1.742 -6.907 1.814 1.00 12.10 C ATOM 45 N7 DG A 2 -2.358 -6.027 1.029 1.00 22.41 N ATOM 46 C5 DG A 2 -1.385 -5.639 0.145 1.00 73.22 C ATOM 47 C6 DG A 2 -1.411 -4.728 -0.932 1.00 22.14 C ATOM 48 O6 DG A 2 -2.390 -4.074 -1.290 1.00 62.11 O ATOM 49 N1 DG A 2 -0.258 -4.558 -1.635 1.00 34.54 N ATOM 50 C2 DG A 2 0.834 -5.263 -1.265 1.00 1.12 C ATOM 51 N2 DG A 2 1.876 -4.987 -2.046 1.00 60.33 N ATOM 52 N3 DG A 2 0.971 -6.152 -0.264 1.00 50.43 N ATOM 53 C4 DG A 2 -0.212 -6.278 0.399 1.00 74.31 C ATOM 0 H5' DG A 2 -0.384 -11.013 4.441 1.00 73.20 H new ATOM 0 H5'' DG A 2 1.168 -10.949 5.253 1.00 73.20 H new ATOM 0 H4' DG A 2 1.561 -10.182 3.171 1.00 54.31 H new ATOM 0 H3' DG A 2 1.167 -7.769 5.063 1.00 73.41 H new ATOM 0 H2' DG A 2 1.179 -6.270 3.306 1.00 40.13 H new ATOM 0 H2'' DG A 2 2.494 -7.116 2.515 1.00 40.13 H new ATOM 0 H1' DG A 2 1.013 -8.491 1.285 1.00 14.20 H new ATOM 0 H8 DG A 2 -2.225 -7.419 2.634 1.00 12.10 H new ATOM 0 H1 DG A 2 -0.219 -3.913 -2.424 1.00 34.54 H new ATOM 0 H21 DG A 2 2.771 -5.447 -1.883 1.00 60.33 H new ATOM 0 H22 DG A 2 1.779 -4.315 -2.807 1.00 60.33 H new ATOM 65 P DC A 3 3.951 -7.334 5.009 1.00 30.34 P ATOM 66 OP1 DC A 3 5.100 -7.921 5.733 1.00 15.52 O ATOM 67 OP2 DC A 3 3.163 -6.294 5.708 1.00 75.11 O ATOM 68 O5' DC A 3 4.497 -6.704 3.642 1.00 73.31 O ATOM 69 C5' DC A 3 5.901 -6.598 3.417 1.00 3.45 C ATOM 70 C4' DC A 3 6.251 -5.199 2.964 1.00 72.40 C ATOM 71 O4' DC A 3 5.256 -4.683 2.148 1.00 12.55 O ATOM 72 C3' DC A 3 6.341 -4.175 4.092 1.00 1.03 C ATOM 73 O3' DC A 3 7.462 -3.321 3.869 1.00 54.35 O ATOM 74 C2' DC A 3 5.046 -3.412 4.041 1.00 52.43 C ATOM 75 C1' DC A 3 4.772 -3.419 2.539 1.00 44.33 C ATOM 76 N1 DC A 3 3.341 -3.266 2.201 1.00 64.40 N ATOM 77 C2 DC A 3 3.003 -2.329 1.225 1.00 11.15 C ATOM 78 O2 DC A 3 3.908 -1.678 0.692 1.00 13.15 O ATOM 79 N3 DC A 3 1.707 -2.172 0.899 1.00 43.52 N ATOM 80 C4 DC A 3 0.755 -2.875 1.479 1.00 3.40 C ATOM 81 N4 DC A 3 -0.517 -2.707 1.143 1.00 70.03 N ATOM 82 C5 DC A 3 1.080 -3.853 2.493 1.00 51.13 C ATOM 83 C6 DC A 3 2.376 -3.998 2.807 1.00 52.51 C ATOM 0 H5' DC A 3 6.212 -7.321 2.663 1.00 3.45 H new ATOM 0 H5'' DC A 3 6.443 -6.839 4.332 1.00 3.45 H new ATOM 0 H4' DC A 3 7.217 -5.327 2.475 1.00 72.40 H new ATOM 0 H3' DC A 3 6.483 -4.633 5.071 1.00 1.03 H new ATOM 0 H2' DC A 3 4.255 -3.902 4.608 1.00 52.43 H new ATOM 0 H2'' DC A 3 5.145 -2.402 4.439 1.00 52.43 H new ATOM 0 H1' DC A 3 5.246 -2.579 2.031 1.00 44.33 H new ATOM 0 H41 DC A 3 -1.243 -3.259 1.601 1.00 70.03 H new ATOM 0 H42 DC A 3 -0.770 -2.026 0.427 1.00 70.03 H new ATOM 0 H5 DC A 3 0.313 -4.441 2.976 1.00 51.13 H new ATOM 0 H6 DC A 3 2.657 -4.717 3.562 1.00 52.51 H new ATOM 95 P DC A 4 8.266 -2.716 5.112 1.00 2.15 P ATOM 96 OP1 DC A 4 9.468 -3.538 5.376 1.00 41.12 O ATOM 97 OP2 DC A 4 7.338 -2.483 6.242 1.00 14.13 O ATOM 98 O5' DC A 4 8.751 -1.293 4.568 1.00 71.42 O ATOM 99 C5' DC A 4 9.144 -1.145 3.204 1.00 54.53 C ATOM 100 C4' DC A 4 8.444 0.043 2.587 1.00 14.21 C ATOM 101 O4' DC A 4 7.036 -0.137 2.514 1.00 64.55 O ATOM 102 C3' DC A 4 8.606 1.346 3.366 1.00 33.40 C ATOM 103 O3' DC A 4 9.000 2.386 2.473 1.00 1.53 O ATOM 104 C2' DC A 4 7.256 1.619 3.970 1.00 1.45 C ATOM 105 C1' DC A 4 6.343 1.028 2.901 1.00 74.22 C ATOM 106 N1 DC A 4 4.989 0.702 3.397 1.00 13.34 N ATOM 107 C2 DC A 4 3.906 1.012 2.576 1.00 53.14 C ATOM 108 O2 DC A 4 4.126 1.542 1.481 1.00 60.40 O ATOM 109 N3 DC A 4 2.663 0.726 3.006 1.00 24.44 N ATOM 110 C4 DC A 4 2.448 0.161 4.177 1.00 71.51 C ATOM 111 N4 DC A 4 1.214 -0.114 4.584 1.00 60.13 N ATOM 112 C5 DC A 4 3.553 -0.172 5.047 1.00 51.21 C ATOM 113 C6 DC A 4 4.785 0.121 4.605 1.00 15.34 C ATOM 0 H5' DC A 4 8.900 -2.050 2.647 1.00 54.53 H new ATOM 0 H5'' DC A 4 10.224 -1.013 3.141 1.00 54.53 H new ATOM 0 H4' DC A 4 8.919 0.110 1.608 1.00 14.21 H new ATOM 0 H3' DC A 4 9.372 1.286 4.139 1.00 33.40 H new ATOM 0 H2' DC A 4 7.129 1.133 4.937 1.00 1.45 H new ATOM 0 H2'' DC A 4 7.079 2.684 4.123 1.00 1.45 H new ATOM 0 H1' DC A 4 6.157 1.731 2.089 1.00 74.22 H new ATOM 0 H41 DC A 4 1.062 -0.552 5.493 1.00 60.13 H new ATOM 0 H42 DC A 4 0.418 0.112 3.988 1.00 60.13 H new ATOM 0 H5 DC A 4 3.394 -0.636 6.009 1.00 51.21 H new ATOM 0 H6 DC A 4 5.636 -0.112 5.227 1.00 15.34 H new ATOM 125 P DG A 5 9.858 3.623 3.014 1.00 30.02 P ATOM 126 OP1 DG A 5 11.289 3.251 3.070 1.00 54.41 O ATOM 127 OP2 DG A 5 9.241 4.154 4.251 1.00 42.41 O ATOM 128 O5' DG A 5 9.677 4.718 1.862 1.00 15.44 O ATOM 129 C5' DG A 5 8.526 4.683 1.019 1.00 3.13 C ATOM 130 C4' DG A 5 7.347 5.315 1.724 1.00 13.34 C ATOM 131 O4' DG A 5 6.946 4.526 2.747 1.00 41.52 O ATOM 132 C3' DG A 5 7.692 6.555 2.544 1.00 2.44 C ATOM 133 O3' DG A 5 7.652 7.706 1.703 1.00 0.43 O ATOM 134 C2' DG A 5 6.647 6.621 3.622 1.00 13.01 C ATOM 135 C1' DG A 5 5.969 5.266 3.446 1.00 33.31 C ATOM 136 N9 DG A 5 5.615 4.612 4.724 1.00 62.11 N ATOM 137 C8 DG A 5 6.394 4.481 5.818 1.00 55.14 C ATOM 138 N7 DG A 5 5.781 3.840 6.809 1.00 34.11 N ATOM 139 C5 DG A 5 4.541 3.558 6.300 1.00 23.34 C ATOM 140 C6 DG A 5 3.430 2.894 6.861 1.00 12.31 C ATOM 141 O6 DG A 5 3.381 2.420 7.995 1.00 11.00 O ATOM 142 N1 DG A 5 2.318 2.767 6.084 1.00 42.22 N ATOM 143 C2 DG A 5 2.344 3.279 4.834 1.00 72.20 C ATOM 144 N2 DG A 5 1.188 3.076 4.206 1.00 32.23 N ATOM 145 N3 DG A 5 3.341 3.926 4.201 1.00 73.21 N ATOM 146 C4 DG A 5 4.419 4.020 5.028 1.00 55.11 C ATOM 0 H5' DG A 5 8.291 3.652 0.753 1.00 3.13 H new ATOM 0 H5'' DG A 5 8.730 5.213 0.089 1.00 3.13 H new ATOM 0 H4' DG A 5 6.648 5.501 0.909 1.00 13.34 H new ATOM 0 H3' DG A 5 8.692 6.514 2.976 1.00 2.44 H new ATOM 0 H2' DG A 5 7.083 6.739 4.614 1.00 13.01 H new ATOM 0 H2'' DG A 5 5.956 7.451 3.477 1.00 13.01 H new ATOM 0 H1' DG A 5 5.013 5.350 2.930 1.00 33.31 H new ATOM 0 H8 DG A 5 7.405 4.856 5.882 1.00 55.14 H new ATOM 0 H1 DG A 5 1.485 2.296 6.438 1.00 42.22 H new ATOM 0 H21 DG A 5 1.061 3.410 3.250 1.00 32.23 H new ATOM 0 H22 DG A 5 0.429 2.587 4.680 1.00 32.23 H new ATOM 158 P DC A 6 7.961 9.153 2.310 1.00 12.41 P ATOM 159 OP1 DC A 6 9.080 9.776 1.569 1.00 73.44 O ATOM 160 OP2 DC A 6 8.085 9.058 3.782 1.00 51.20 O ATOM 161 O5' DC A 6 6.629 9.974 1.978 1.00 54.13 O ATOM 162 C5' DC A 6 5.651 10.187 2.994 1.00 32.01 C ATOM 163 C4' DC A 6 4.264 10.176 2.389 1.00 45.44 C ATOM 164 O4' DC A 6 3.455 9.050 2.757 1.00 50.32 O ATOM 165 C3' DC A 6 3.341 11.272 2.910 1.00 35.31 C ATOM 166 O3' DC A 6 2.362 11.577 1.918 1.00 52.34 O ATOM 167 C2' DC A 6 2.711 10.707 4.152 1.00 63.34 C ATOM 168 C1' DC A 6 2.435 9.275 3.704 1.00 43.50 C ATOM 169 N1 DC A 6 2.500 8.289 4.804 1.00 64.42 N ATOM 170 C2 DC A 6 1.300 7.891 5.388 1.00 43.41 C ATOM 171 O2 DC A 6 0.244 8.375 4.964 1.00 20.20 O ATOM 172 N3 DC A 6 1.332 6.996 6.393 1.00 33.13 N ATOM 173 C4 DC A 6 2.467 6.489 6.833 1.00 35.14 C ATOM 174 N4 DC A 6 2.480 5.606 7.824 1.00 13.43 N ATOM 175 C5 DC A 6 3.725 6.885 6.244 1.00 31.10 C ATOM 176 C6 DC A 6 3.675 7.779 5.246 1.00 24.22 C ATOM 0 H5' DC A 6 5.832 11.140 3.491 1.00 32.01 H new ATOM 0 H5'' DC A 6 5.731 9.411 3.755 1.00 32.01 H new ATOM 0 H4' DC A 6 4.531 10.238 1.334 1.00 45.44 H new ATOM 0 H3' DC A 6 3.868 12.200 3.132 1.00 35.31 H new ATOM 0 H2' DC A 6 3.380 10.750 5.011 1.00 63.34 H new ATOM 0 H2'' DC A 6 1.800 11.236 4.431 1.00 63.34 H new ATOM 0 H1' DC A 6 1.424 9.155 3.314 1.00 43.50 H new ATOM 0 H41 DC A 6 3.366 5.222 8.154 1.00 13.43 H new ATOM 0 H42 DC A 6 1.604 5.311 8.256 1.00 13.43 H new ATOM 0 H5 DC A 6 4.664 6.479 6.592 1.00 31.10 H new ATOM 0 H6 DC A 6 4.596 8.101 4.782 1.00 24.22 H new ATOM 188 P DA A 7 1.471 12.899 2.053 1.00 72.01 P ATOM 189 OP1 DA A 7 1.889 13.887 1.034 1.00 33.34 O ATOM 190 OP2 DA A 7 1.447 13.343 3.465 1.00 24.44 O ATOM 191 O5' DA A 7 0.004 12.386 1.672 1.00 74.22 O ATOM 192 C5' DA A 7 -0.577 11.298 2.385 1.00 55.42 C ATOM 193 C4' DA A 7 -1.307 10.380 1.428 1.00 45.34 C ATOM 194 O4' DA A 7 -0.481 9.305 0.962 1.00 3.32 O ATOM 195 C3' DA A 7 -2.475 9.621 2.052 1.00 50.40 C ATOM 196 O3' DA A 7 -3.536 9.524 1.103 1.00 21.02 O ATOM 197 C2' DA A 7 -1.926 8.267 2.406 1.00 24.35 C ATOM 198 C1' DA A 7 -0.997 8.019 1.220 1.00 13.40 C ATOM 199 N9 DA A 7 0.086 7.056 1.513 1.00 64.41 N ATOM 200 C8 DA A 7 0.356 6.460 2.690 1.00 4.33 C ATOM 201 N7 DA A 7 1.402 5.642 2.625 1.00 61.25 N ATOM 202 C5 DA A 7 1.812 5.738 1.322 1.00 4.11 C ATOM 203 C6 DA A 7 2.871 5.116 0.627 1.00 3.41 C ATOM 204 N6 DA A 7 3.745 4.237 1.182 1.00 43.03 N ATOM 205 N1 DA A 7 3.021 5.423 -0.691 1.00 53.43 N ATOM 206 C2 DA A 7 2.156 6.298 -1.251 1.00 55.24 C ATOM 207 N3 DA A 7 1.119 6.945 -0.690 1.00 41.33 N ATOM 208 C4 DA A 7 1.023 6.596 0.624 1.00 12.30 C ATOM 0 H5' DA A 7 -1.269 11.675 3.139 1.00 55.42 H new ATOM 0 H5'' DA A 7 0.199 10.743 2.913 1.00 55.42 H new ATOM 0 H4' DA A 7 -1.625 11.075 0.651 1.00 45.34 H new ATOM 0 H3' DA A 7 -2.882 10.117 2.934 1.00 50.40 H new ATOM 0 H2' DA A 7 -1.392 8.273 3.356 1.00 24.35 H new ATOM 0 H2'' DA A 7 -2.708 7.511 2.484 1.00 24.35 H new ATOM 0 H1' DA A 7 -1.519 7.568 0.376 1.00 13.40 H new ATOM 0 H8 DA A 7 -0.216 6.629 3.590 1.00 4.33 H new ATOM 0 H61 DA A 7 4.487 3.828 0.614 1.00 43.03 H new ATOM 0 H62 DA A 7 3.660 3.986 2.167 1.00 43.03 H new ATOM 0 H2 DA A 7 2.321 6.507 -2.298 1.00 55.24 H new ATOM 220 P DG A 8 -4.961 8.951 1.553 1.00 51.42 P ATOM 221 OP1 DG A 8 -5.988 9.330 0.557 1.00 61.13 O ATOM 222 OP2 DG A 8 -5.217 9.307 2.966 1.00 51.13 O ATOM 223 O5' DG A 8 -4.753 7.367 1.472 1.00 54.21 O ATOM 224 C5' DG A 8 -5.571 6.585 0.604 1.00 72.02 C ATOM 225 C4' DG A 8 -4.830 6.287 -0.680 1.00 4.34 C ATOM 226 O4' DG A 8 -3.524 6.052 -0.395 1.00 64.41 O ATOM 227 C3' DG A 8 -5.257 4.993 -1.367 1.00 73.12 C ATOM 228 O3' DG A 8 -6.172 5.296 -2.420 1.00 62.42 O ATOM 229 C2' DG A 8 -3.987 4.388 -1.899 1.00 31.15 C ATOM 230 C1' DG A 8 -2.995 4.817 -0.821 1.00 15.45 C ATOM 231 N9 DG A 8 -2.896 3.862 0.302 1.00 14.41 N ATOM 232 C8 DG A 8 -3.879 3.485 1.145 1.00 50.53 C ATOM 233 N7 DG A 8 -3.469 2.605 2.053 1.00 20.33 N ATOM 234 C5 DG A 8 -2.143 2.423 1.756 1.00 70.52 C ATOM 235 C6 DG A 8 -1.154 1.613 2.354 1.00 61.33 C ATOM 236 O6 DG A 8 -1.328 0.874 3.321 1.00 64.31 O ATOM 237 N1 DG A 8 0.095 1.653 1.818 1.00 0.41 N ATOM 238 C2 DG A 8 0.315 2.456 0.753 1.00 22.20 C ATOM 239 N2 DG A 8 1.580 2.385 0.345 1.00 2.53 N ATOM 240 N3 DG A 8 -0.546 3.265 0.107 1.00 4.43 N ATOM 241 C4 DG A 8 -1.773 3.181 0.690 1.00 12.50 C ATOM 0 H5' DG A 8 -6.495 7.119 0.384 1.00 72.02 H new ATOM 0 H5'' DG A 8 -5.850 5.654 1.096 1.00 72.02 H new ATOM 0 H4' DG A 8 -5.031 7.149 -1.317 1.00 4.34 H new ATOM 0 H3' DG A 8 -5.764 4.302 -0.694 1.00 73.12 H new ATOM 0 H2' DG A 8 -4.053 3.304 -1.993 1.00 31.15 H new ATOM 0 H2'' DG A 8 -3.723 4.778 -2.882 1.00 31.15 H new ATOM 0 H1' DG A 8 -1.975 4.872 -1.200 1.00 15.45 H new ATOM 0 H8 DG A 8 -4.891 3.858 1.088 1.00 50.53 H new ATOM 0 H1 DG A 8 0.849 1.090 2.211 1.00 0.41 H new ATOM 0 H21 DG A 8 1.890 2.940 -0.453 1.00 2.53 H new ATOM 0 H22 DG A 8 2.239 1.776 0.830 1.00 2.53 H new ATOM 253 P DT A 9 -7.589 4.556 -2.483 1.00 70.33 P ATOM 254 OP1 DT A 9 -8.657 5.485 -2.049 1.00 63.30 O ATOM 255 OP2 DT A 9 -7.500 3.249 -1.796 1.00 33.10 O ATOM 256 O5' DT A 9 -7.780 4.281 -4.047 1.00 61.40 O ATOM 257 C5' DT A 9 -7.440 3.009 -4.594 1.00 43.22 C ATOM 258 C4' DT A 9 -5.940 2.816 -4.570 1.00 22.24 C ATOM 259 O4' DT A 9 -5.597 2.326 -3.289 1.00 51.14 O ATOM 260 C3' DT A 9 -5.434 1.696 -5.472 1.00 0.21 C ATOM 261 O3' DT A 9 -4.121 2.014 -5.933 1.00 43.34 O ATOM 262 C2' DT A 9 -5.434 0.463 -4.612 1.00 32.22 C ATOM 263 C1' DT A 9 -4.996 1.050 -3.274 1.00 15.34 C ATOM 264 N1 DT A 9 -5.447 0.262 -2.108 1.00 5.42 N ATOM 265 C2 DT A 9 -4.495 -0.050 -1.186 1.00 33.40 C ATOM 266 O2 DT A 9 -3.325 0.285 -1.281 1.00 75.40 O ATOM 267 N3 DT A 9 -4.913 -0.786 -0.099 1.00 60.02 N ATOM 268 C4 DT A 9 -6.208 -1.202 0.084 1.00 21.05 C ATOM 269 O4 DT A 9 -6.467 -1.855 1.093 1.00 14.05 O ATOM 270 C5 DT A 9 -7.161 -0.849 -0.910 1.00 41.34 C ATOM 271 C7 DT A 9 -8.601 -1.281 -0.761 1.00 42.23 C ATOM 272 C6 DT A 9 -6.734 -0.138 -1.953 1.00 33.22 C ATOM 0 H5' DT A 9 -7.808 2.935 -5.617 1.00 43.22 H new ATOM 0 H5'' DT A 9 -7.925 2.218 -4.023 1.00 43.22 H new ATOM 0 H4' DT A 9 -5.520 3.776 -4.871 1.00 22.24 H new ATOM 0 H3' DT A 9 -6.053 1.551 -6.357 1.00 0.21 H new ATOM 0 H2' DT A 9 -6.418 -0.003 -4.557 1.00 32.22 H new ATOM 0 H2'' DT A 9 -4.742 -0.296 -4.977 1.00 32.22 H new ATOM 0 H1' DT A 9 -3.911 1.064 -3.169 1.00 15.34 H new ATOM 0 H3 DT A 9 -4.222 -1.035 0.609 1.00 60.02 H new ATOM 0 H71 DT A 9 -9.252 -0.549 -1.240 1.00 42.23 H new ATOM 0 H72 DT A 9 -8.740 -2.254 -1.233 1.00 42.23 H new ATOM 0 H73 DT A 9 -8.852 -1.352 0.297 1.00 42.23 H new ATOM 0 H6 DT A 9 -7.450 0.134 -2.715 1.00 33.22 H new ATOM 285 P DG A 10 -3.928 2.988 -7.185 1.00 25.33 P ATOM 286 OP1 DG A 10 -4.422 4.342 -6.848 1.00 62.23 O ATOM 287 OP2 DG A 10 -4.470 2.348 -8.405 1.00 64.32 O ATOM 288 O5' DG A 10 -2.336 3.067 -7.336 1.00 40.33 O ATOM 289 C5' DG A 10 -1.613 4.128 -6.715 1.00 64.13 C ATOM 290 C4' DG A 10 -0.136 3.993 -7.010 1.00 62.02 C ATOM 291 O4' DG A 10 0.613 3.536 -5.937 1.00 65.35 O ATOM 292 C3' DG A 10 0.215 2.846 -7.952 1.00 2.13 C ATOM 293 O3' DG A 10 1.510 3.067 -8.507 1.00 61.35 O ATOM 294 C2' DG A 10 0.186 1.609 -7.097 1.00 11.02 C ATOM 295 C1' DG A 10 0.788 2.144 -5.801 1.00 4.34 C ATOM 296 N9 DG A 10 0.119 1.637 -4.586 1.00 52.24 N ATOM 297 C8 DG A 10 -1.187 1.752 -4.262 1.00 45.13 C ATOM 298 N7 DG A 10 -1.476 1.185 -3.094 1.00 13.05 N ATOM 299 C5 DG A 10 -0.275 0.687 -2.664 1.00 0.51 C ATOM 300 C6 DG A 10 0.078 -0.023 -1.498 1.00 54.25 C ATOM 301 O6 DG A 10 -0.696 -0.339 -0.593 1.00 71.45 O ATOM 302 N1 DG A 10 1.381 -0.389 -1.356 1.00 12.31 N ATOM 303 C2 DG A 10 2.253 -0.056 -2.333 1.00 75.02 C ATOM 304 N2 DG A 10 3.482 -0.481 -2.050 1.00 20.20 N ATOM 305 N3 DG A 10 2.030 0.614 -3.479 1.00 31.22 N ATOM 306 C4 DG A 10 0.712 0.950 -3.559 1.00 60.23 C ATOM 0 H5' DG A 10 -1.780 4.110 -5.638 1.00 64.13 H new ATOM 0 H5'' DG A 10 -1.978 5.089 -7.078 1.00 64.13 H new ATOM 0 H4' DG A 10 0.073 5.001 -7.367 1.00 62.02 H new ATOM 0 H3' DG A 10 -0.477 2.757 -8.789 1.00 2.13 H new ATOM 0 H2' DG A 10 -0.825 1.227 -6.956 1.00 11.02 H new ATOM 0 H2'' DG A 10 0.776 0.798 -7.523 1.00 11.02 H new ATOM 0 H1' DG A 10 1.824 1.831 -5.670 1.00 4.34 H new ATOM 0 H8 DG A 10 -1.917 2.250 -4.883 1.00 45.13 H new ATOM 0 H1 DG A 10 1.692 -0.903 -0.531 1.00 12.31 H new ATOM 0 H21 DG A 10 4.247 -0.300 -2.700 1.00 20.20 H new ATOM 0 H22 DG A 10 3.659 -0.988 -1.183 1.00 20.20 H new ATOM 318 P DC A 11 1.939 2.326 -9.857 1.00 24.13 P ATOM 319 OP1 DC A 11 3.123 2.997 -10.441 1.00 53.20 O ATOM 320 OP2 DC A 11 0.756 2.149 -10.728 1.00 70.04 O ATOM 321 O5' DC A 11 2.396 0.880 -9.343 1.00 54.14 O ATOM 322 C5' DC A 11 3.303 0.765 -8.251 1.00 33.22 C ATOM 323 C4' DC A 11 3.166 -0.593 -7.601 1.00 33.21 C ATOM 324 O4' DC A 11 2.175 -0.625 -6.570 1.00 4.32 O ATOM 325 C3' DC A 11 2.770 -1.713 -8.560 1.00 51.23 C ATOM 326 O3' DC A 11 3.811 -2.687 -8.605 1.00 74.04 O ATOM 327 C2' DC A 11 1.501 -2.287 -7.994 1.00 10.13 C ATOM 328 C1' DC A 11 1.662 -1.939 -6.518 1.00 21.31 C ATOM 329 N1 DC A 11 0.396 -1.986 -5.760 1.00 72.04 N ATOM 330 C2 DC A 11 0.380 -2.708 -4.567 1.00 0.54 C ATOM 331 O2 DC A 11 1.419 -3.269 -4.204 1.00 40.32 O ATOM 332 N3 DC A 11 -0.762 -2.767 -3.859 1.00 25.24 N ATOM 333 C4 DC A 11 -1.862 -2.161 -4.262 1.00 24.52 C ATOM 334 N4 DC A 11 -2.978 -2.232 -3.549 1.00 44.13 N ATOM 335 C5 DC A 11 -1.872 -1.407 -5.494 1.00 55.54 C ATOM 336 C6 DC A 11 -0.727 -1.357 -6.189 1.00 21.20 C ATOM 0 H5' DC A 11 3.104 1.548 -7.520 1.00 33.22 H new ATOM 0 H5'' DC A 11 4.325 0.908 -8.601 1.00 33.22 H new ATOM 0 H4' DC A 11 4.169 -0.759 -7.208 1.00 33.21 H new ATOM 0 H3' DC A 11 2.618 -1.365 -9.582 1.00 51.23 H new ATOM 0 H2' DC A 11 0.611 -1.833 -8.431 1.00 10.13 H new ATOM 0 H2'' DC A 11 1.424 -3.362 -8.159 1.00 10.13 H new ATOM 0 H1' DC A 11 2.300 -2.652 -5.996 1.00 21.31 H new ATOM 0 H41 DC A 11 -3.821 -1.758 -3.873 1.00 44.13 H new ATOM 0 H42 DC A 11 -2.993 -2.760 -2.677 1.00 44.13 H new ATOM 0 H5 DC A 11 -2.764 -0.905 -5.840 1.00 55.54 H new ATOM 0 H6 DC A 11 -0.698 -0.801 -7.115 1.00 21.20 H new ATOM 348 P DC A 12 4.004 -3.590 -9.911 1.00 15.42 P ATOM 349 OP1 DC A 12 5.305 -3.281 -10.545 1.00 61.21 O ATOM 350 OP2 DC A 12 2.794 -3.506 -10.760 1.00 70.53 O ATOM 351 O5' DC A 12 4.085 -5.073 -9.315 1.00 51.50 O ATOM 352 C5' DC A 12 4.786 -5.313 -8.097 1.00 50.05 C ATOM 353 C4' DC A 12 4.265 -6.571 -7.437 1.00 61.24 C ATOM 354 O4' DC A 12 3.199 -6.257 -6.564 1.00 52.54 O ATOM 355 C3' DC A 12 3.666 -7.589 -8.403 1.00 33.25 C ATOM 356 O3' DC A 12 4.191 -8.891 -8.105 1.00 15.43 O ATOM 357 C2' DC A 12 2.182 -7.524 -8.179 1.00 65.02 C ATOM 358 C1' DC A 12 2.134 -7.173 -6.693 1.00 12.24 C ATOM 359 N1 DC A 12 0.854 -6.567 -6.272 1.00 53.35 N ATOM 360 C2 DC A 12 0.300 -6.995 -5.067 1.00 1.42 C ATOM 361 O2 DC A 12 0.901 -7.855 -4.412 1.00 24.44 O ATOM 362 N3 DC A 12 -0.865 -6.459 -4.661 1.00 32.15 N ATOM 363 C4 DC A 12 -1.492 -5.544 -5.373 1.00 62.03 C ATOM 364 N4 DC A 12 -2.641 -5.026 -4.955 1.00 13.15 N ATOM 365 C5 DC A 12 -0.940 -5.081 -6.625 1.00 12.02 C ATOM 366 C6 DC A 12 0.222 -5.626 -7.015 1.00 21.13 C ATOM 0 H5' DC A 12 4.665 -4.463 -7.425 1.00 50.05 H new ATOM 0 H5'' DC A 12 5.853 -5.412 -8.296 1.00 50.05 H new ATOM 0 H4' DC A 12 5.141 -6.993 -6.944 1.00 61.24 H new ATOM 0 H3' DC A 12 3.908 -7.382 -9.445 1.00 33.25 H new ATOM 0 H2' DC A 12 1.703 -6.766 -8.799 1.00 65.02 H new ATOM 0 H2'' DC A 12 1.689 -8.472 -8.396 1.00 65.02 H new ATOM 0 HO3' DC A 12 3.807 -9.548 -8.723 1.00 15.43 H new ATOM 0 H1' DC A 12 2.219 -8.055 -6.059 1.00 12.24 H new ATOM 0 H41 DC A 12 -3.116 -4.319 -5.516 1.00 13.15 H new ATOM 0 H42 DC A 12 -3.049 -5.336 -4.073 1.00 13.15 H new ATOM 0 H5 DC A 12 -1.440 -4.331 -7.220 1.00 12.02 H new ATOM 0 H6 DC A 12 0.666 -5.306 -7.946 1.00 21.13 H new TER 379 DC A 12