USER MOD reduce.3.24.130724 H: found=0, std=0, add=100, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 100 hydrogens (8 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 1 DC O5' : rot 180:sc= 0 USER MOD Set 1.2: A 9 DG O3' : rot 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DT C7 :methyl -30:sc= 0 (180deg=-0.0512) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -5.069 -8.957 11.520 1.00 0.00 O ATOM 2 C5' DC A 1 -4.131 -8.428 10.597 1.00 0.00 C ATOM 3 C4' DC A 1 -4.537 -6.998 10.213 1.00 0.00 C ATOM 4 O4' DC A 1 -4.018 -6.112 11.197 1.00 0.00 O ATOM 5 C3' DC A 1 -3.984 -6.562 8.852 1.00 0.00 C ATOM 6 O3' DC A 1 -4.953 -5.750 8.208 1.00 0.00 O ATOM 7 C2' DC A 1 -2.735 -5.785 9.238 1.00 0.00 C ATOM 8 C1' DC A 1 -3.157 -5.181 10.574 1.00 0.00 C ATOM 9 N1 DC A 1 -1.970 -4.885 11.413 1.00 0.00 N ATOM 10 C2 DC A 1 -1.482 -3.579 11.428 1.00 0.00 C ATOM 11 O2 DC A 1 -2.122 -2.663 10.919 1.00 0.00 O ATOM 12 N3 DC A 1 -0.263 -3.305 11.961 1.00 0.00 N ATOM 13 C4 DC A 1 0.456 -4.296 12.467 1.00 0.00 C ATOM 14 N4 DC A 1 1.649 -3.986 12.915 1.00 0.00 N ATOM 15 C5 DC A 1 -0.009 -5.647 12.485 1.00 0.00 C ATOM 16 C6 DC A 1 -1.228 -5.900 11.954 1.00 0.00 C ATOM 0 H5' DC A 1 -4.087 -9.056 9.707 1.00 0.00 H new ATOM 0 H5'' DC A 1 -3.133 -8.428 11.036 1.00 0.00 H new ATOM 0 H4' DC A 1 -5.625 -6.972 10.154 1.00 0.00 H new ATOM 0 H3' DC A 1 -3.759 -7.370 8.156 1.00 0.00 H new ATOM 0 H2' DC A 1 -1.863 -6.432 9.337 1.00 0.00 H new ATOM 0 H2'' DC A 1 -2.483 -5.021 8.503 1.00 0.00 H new ATOM 0 HO5' DC A 1 -4.809 -9.870 11.763 1.00 0.00 H new ATOM 0 H1' DC A 1 -3.675 -4.233 10.429 1.00 0.00 H new ATOM 0 H41 DC A 1 2.247 -4.709 13.316 1.00 0.00 H new ATOM 0 H42 DC A 1 1.979 -3.022 12.863 1.00 0.00 H new ATOM 0 H5 DC A 1 0.591 -6.439 12.908 1.00 0.00 H new ATOM 0 H6 DC A 1 -1.617 -6.907 11.957 1.00 0.00 H new ATOM 29 P DC A 2 -4.865 -5.392 6.646 1.00 0.00 P ATOM 30 OP1 DC A 2 -6.235 -5.183 6.133 1.00 0.00 O ATOM 31 OP2 DC A 2 -4.108 -6.447 5.942 1.00 0.00 O ATOM 32 O5' DC A 2 -4.063 -4.010 6.555 1.00 0.00 O ATOM 33 C5' DC A 2 -4.078 -3.223 5.374 1.00 0.00 C ATOM 34 C4' DC A 2 -3.594 -1.786 5.621 1.00 0.00 C ATOM 35 O4' DC A 2 -4.455 -1.161 6.569 1.00 0.00 O ATOM 36 C3' DC A 2 -2.164 -1.664 6.168 1.00 0.00 C ATOM 37 O3' DC A 2 -1.615 -0.461 5.648 1.00 0.00 O ATOM 38 C2' DC A 2 -2.431 -1.587 7.663 1.00 0.00 C ATOM 39 C1' DC A 2 -3.649 -0.684 7.633 1.00 0.00 C ATOM 40 N1 DC A 2 -4.328 -0.698 8.944 1.00 0.00 N ATOM 41 C2 DC A 2 -3.969 0.276 9.878 1.00 0.00 C ATOM 42 O2 DC A 2 -3.185 1.202 9.629 1.00 0.00 O ATOM 43 N3 DC A 2 -4.413 0.185 11.149 1.00 0.00 N ATOM 44 C4 DC A 2 -5.211 -0.803 11.493 1.00 0.00 C ATOM 45 N4 DC A 2 -5.682 -0.698 12.712 1.00 0.00 N ATOM 46 C5 DC A 2 -5.583 -1.846 10.592 1.00 0.00 C ATOM 47 C6 DC A 2 -5.119 -1.759 9.317 1.00 0.00 C ATOM 0 H5' DC A 2 -5.090 -3.198 4.970 1.00 0.00 H new ATOM 0 H5'' DC A 2 -3.446 -3.692 4.620 1.00 0.00 H new ATOM 0 H4' DC A 2 -3.607 -1.310 4.640 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.463 -2.459 5.914 1.00 0.00 H new ATOM 0 H2' DC A 2 -2.639 -2.561 8.106 1.00 0.00 H new ATOM 0 H2'' DC A 2 -1.599 -1.155 8.219 1.00 0.00 H new ATOM 0 H1' DC A 2 -3.399 0.362 7.458 1.00 0.00 H new ATOM 0 H41 DC A 2 -6.311 -1.412 13.079 1.00 0.00 H new ATOM 0 H42 DC A 2 -5.419 0.098 13.293 1.00 0.00 H new ATOM 0 H5 DC A 2 -6.206 -2.669 10.910 1.00 0.00 H new ATOM 0 H6 DC A 2 -5.372 -2.523 8.597 1.00 0.00 H new ATOM 59 P DT A 3 -0.066 -0.086 5.819 1.00 0.00 P ATOM 60 OP1 DT A 3 0.223 1.054 4.915 1.00 0.00 O ATOM 61 OP2 DT A 3 0.734 -1.321 5.724 1.00 0.00 O ATOM 62 O5' DT A 3 0.003 0.440 7.337 1.00 0.00 O ATOM 63 C5' DT A 3 0.619 1.660 7.727 1.00 0.00 C ATOM 64 C4' DT A 3 2.121 1.537 8.015 1.00 0.00 C ATOM 65 O4' DT A 3 2.342 0.456 8.896 1.00 0.00 O ATOM 66 C3' DT A 3 3.044 1.376 6.799 1.00 0.00 C ATOM 67 O3' DT A 3 4.024 2.411 6.745 1.00 0.00 O ATOM 68 C2' DT A 3 3.700 0.016 7.033 1.00 0.00 C ATOM 69 C1' DT A 3 3.509 -0.239 8.528 1.00 0.00 C ATOM 70 N1 DT A 3 3.303 -1.674 8.862 1.00 0.00 N ATOM 71 C2 DT A 3 4.309 -2.345 9.563 1.00 0.00 C ATOM 72 O2 DT A 3 5.401 -1.853 9.824 1.00 0.00 O ATOM 73 N3 DT A 3 4.033 -3.641 9.948 1.00 0.00 N ATOM 74 C4 DT A 3 2.869 -4.336 9.684 1.00 0.00 C ATOM 75 O4 DT A 3 2.762 -5.485 10.105 1.00 0.00 O ATOM 76 C5 DT A 3 1.880 -3.596 8.904 1.00 0.00 C ATOM 77 C7 DT A 3 0.564 -4.252 8.515 1.00 0.00 C ATOM 78 C6 DT A 3 2.123 -2.311 8.530 1.00 0.00 C ATOM 0 H5' DT A 3 0.119 2.039 8.618 1.00 0.00 H new ATOM 0 H5'' DT A 3 0.470 2.398 6.939 1.00 0.00 H new ATOM 0 H4' DT A 3 2.390 2.500 8.449 1.00 0.00 H new ATOM 0 H3' DT A 3 2.507 1.438 5.853 1.00 0.00 H new ATOM 0 H2' DT A 3 3.229 -0.762 6.433 1.00 0.00 H new ATOM 0 H2'' DT A 3 4.756 0.031 6.763 1.00 0.00 H new ATOM 0 H1' DT A 3 4.408 0.085 9.053 1.00 0.00 H new ATOM 0 H3 DT A 3 4.755 -4.131 10.476 1.00 0.00 H new ATOM 0 H71 DT A 3 -0.213 -3.491 8.439 1.00 0.00 H new ATOM 0 H72 DT A 3 0.677 -4.753 7.553 1.00 0.00 H new ATOM 0 H73 DT A 3 0.284 -4.983 9.274 1.00 0.00 H new ATOM 0 H6 DT A 3 1.377 -1.777 7.961 1.00 0.00 H new ATOM 91 P DG A 4 3.686 3.870 6.135 1.00 0.00 P ATOM 92 OP1 DG A 4 2.911 3.686 4.886 1.00 0.00 O ATOM 93 OP2 DG A 4 4.924 4.692 6.134 1.00 0.00 O ATOM 94 O5' DG A 4 2.705 4.516 7.230 1.00 0.00 O ATOM 95 C5' DG A 4 3.236 5.327 8.261 1.00 0.00 C ATOM 96 C4' DG A 4 2.289 5.588 9.430 1.00 0.00 C ATOM 97 O4' DG A 4 1.496 4.456 9.768 1.00 0.00 O ATOM 98 C3' DG A 4 3.095 5.943 10.686 1.00 0.00 C ATOM 99 O3' DG A 4 3.430 7.311 10.826 1.00 0.00 O ATOM 100 C2' DG A 4 2.116 5.530 11.766 1.00 0.00 C ATOM 101 C1' DG A 4 1.505 4.267 11.172 1.00 0.00 C ATOM 102 N9 DG A 4 2.237 3.011 11.482 1.00 0.00 N ATOM 103 C8 DG A 4 3.539 2.784 11.854 1.00 0.00 C ATOM 104 N7 DG A 4 3.819 1.533 12.108 1.00 0.00 N ATOM 105 C5 DG A 4 2.611 0.867 11.881 1.00 0.00 C ATOM 106 C6 DG A 4 2.231 -0.519 11.991 1.00 0.00 C ATOM 107 O6 DG A 4 2.867 -1.505 12.357 1.00 0.00 O ATOM 108 N1 DG A 4 0.925 -0.746 11.612 1.00 0.00 N ATOM 109 C2 DG A 4 0.097 0.221 11.150 1.00 0.00 C ATOM 110 N2 DG A 4 -1.059 -0.149 10.672 1.00 0.00 N ATOM 111 N3 DG A 4 0.350 1.521 11.153 1.00 0.00 N ATOM 112 C4 DG A 4 1.645 1.777 11.497 1.00 0.00 C ATOM 0 H5' DG A 4 3.533 6.284 7.833 1.00 0.00 H new ATOM 0 H5'' DG A 4 4.141 4.855 8.644 1.00 0.00 H new ATOM 0 H4' DG A 4 1.638 6.401 9.108 1.00 0.00 H new ATOM 0 H3' DG A 4 4.072 5.460 10.693 1.00 0.00 H new ATOM 0 H2' DG A 4 2.614 5.335 12.716 1.00 0.00 H new ATOM 0 H2'' DG A 4 1.365 6.298 11.952 1.00 0.00 H new ATOM 0 H1' DG A 4 0.515 4.136 11.610 1.00 0.00 H new ATOM 0 H8 DG A 4 4.271 3.574 11.930 1.00 0.00 H new ATOM 0 H1 DG A 4 0.562 -1.696 11.684 1.00 0.00 H new ATOM 0 H21 DG A 4 -1.710 0.550 10.315 1.00 0.00 H new ATOM 0 H22 DG A 4 -1.311 -1.137 10.656 1.00 0.00 H new HETATM 124 O5' 3DR A 5 5.876 6.952 11.333 1.00 0.00 O HETATM 125 P 3DR A 5 4.892 7.855 10.432 1.00 0.00 P HETATM 126 OP1 3DR A 5 4.960 9.252 10.915 1.00 0.00 O HETATM 127 OP2 3DR A 5 5.170 7.533 9.011 1.00 0.00 O HETATM 128 C2' 3DR A 5 6.064 5.855 15.691 1.00 0.00 C HETATM 129 C5' 3DR A 5 6.126 7.191 12.712 1.00 0.00 C HETATM 130 C4' 3DR A 5 5.030 6.630 13.646 1.00 0.00 C HETATM 131 O4' 3DR A 5 5.037 5.209 13.654 1.00 0.00 O HETATM 132 C1' 3DR A 5 5.998 4.780 14.603 1.00 0.00 C HETATM 133 C3' 3DR A 5 5.267 7.030 15.117 1.00 0.00 C HETATM 134 O3' 3DR A 5 4.080 7.174 15.894 1.00 0.00 O HETATM 0 H5'' 3DR A 5 7.084 6.746 12.981 1.00 0.00 H new HETATM 0 H4'1 3DR A 5 4.094 7.037 13.263 1.00 0.00 H new HETATM 0 H2'' 3DR A 5 5.631 5.500 16.626 1.00 0.00 H new HETATM 0 H1'2 3DR A 5 6.972 4.647 14.132 1.00 0.00 H new HETATM 0 H1'1 3DR A 5 5.716 3.817 15.029 1.00 0.00 H new HETATM 0 H5' 3DR A 5 6.216 8.265 12.875 1.00 0.00 H new HETATM 0 H3' 3DR A 5 5.757 8.003 15.153 1.00 0.00 H new HETATM 0 H2' 3DR A 5 7.094 6.141 15.905 1.00 0.00 H new ATOM 143 P DC A 6 2.917 8.227 15.544 1.00 0.00 P ATOM 144 OP1 DC A 6 3.428 9.224 14.571 1.00 0.00 O ATOM 145 OP2 DC A 6 2.252 8.673 16.794 1.00 0.00 O ATOM 146 O5' DC A 6 1.873 7.294 14.776 1.00 0.00 O ATOM 147 C5' DC A 6 0.621 7.804 14.361 1.00 0.00 C ATOM 148 C4' DC A 6 -0.503 6.821 14.696 1.00 0.00 C ATOM 149 O4' DC A 6 -0.321 5.627 13.937 1.00 0.00 O ATOM 150 C3' DC A 6 -0.582 6.443 16.174 1.00 0.00 C ATOM 151 O3' DC A 6 -1.881 6.557 16.710 1.00 0.00 O ATOM 152 C2' DC A 6 -0.189 4.992 16.232 1.00 0.00 C ATOM 153 C1' DC A 6 -0.485 4.523 14.805 1.00 0.00 C ATOM 154 N1 DC A 6 0.384 3.359 14.499 1.00 0.00 N ATOM 155 C2 DC A 6 -0.223 2.102 14.412 1.00 0.00 C ATOM 156 O2 DC A 6 -1.412 1.968 14.094 1.00 0.00 O ATOM 157 N3 DC A 6 0.488 0.983 14.690 1.00 0.00 N ATOM 158 C4 DC A 6 1.778 1.094 14.978 1.00 0.00 C ATOM 159 N4 DC A 6 2.409 -0.003 15.296 1.00 0.00 N ATOM 160 C5 DC A 6 2.469 2.337 14.958 1.00 0.00 C ATOM 161 C6 DC A 6 1.742 3.450 14.703 1.00 0.00 C ATOM 0 H5' DC A 6 0.638 7.993 13.288 1.00 0.00 H new ATOM 0 H5'' DC A 6 0.432 8.760 14.850 1.00 0.00 H new ATOM 0 H4' DC A 6 -1.435 7.329 14.447 1.00 0.00 H new ATOM 0 H3' DC A 6 0.057 7.111 16.751 1.00 0.00 H new ATOM 0 H2' DC A 6 0.861 4.864 16.494 1.00 0.00 H new ATOM 0 H2'' DC A 6 -0.771 4.441 16.971 1.00 0.00 H new ATOM 0 H1' DC A 6 -1.510 4.176 14.677 1.00 0.00 H new ATOM 0 H41 DC A 6 3.402 0.028 15.526 1.00 0.00 H new ATOM 0 H42 DC A 6 1.909 -0.892 15.315 1.00 0.00 H new ATOM 0 H5 DC A 6 3.532 2.391 15.139 1.00 0.00 H new ATOM 0 H6 DC A 6 2.229 4.413 14.659 1.00 0.00 H new ATOM 173 P DC A 7 -2.092 6.832 18.280 1.00 0.00 P ATOM 174 OP1 DC A 7 -1.411 8.120 18.563 1.00 0.00 O ATOM 175 OP2 DC A 7 -1.716 5.631 19.069 1.00 0.00 O ATOM 176 O5' DC A 7 -3.689 7.005 18.327 1.00 0.00 O ATOM 177 C5' DC A 7 -4.601 5.970 18.700 1.00 0.00 C ATOM 178 C4' DC A 7 -4.810 4.753 17.771 1.00 0.00 C ATOM 179 O4' DC A 7 -5.074 5.085 16.417 1.00 0.00 O ATOM 180 C3' DC A 7 -3.666 3.749 17.624 1.00 0.00 C ATOM 181 O3' DC A 7 -3.262 2.950 18.731 1.00 0.00 O ATOM 182 C2' DC A 7 -4.081 2.942 16.417 1.00 0.00 C ATOM 183 C1' DC A 7 -5.061 3.861 15.688 1.00 0.00 C ATOM 184 N1 DC A 7 -4.638 3.994 14.272 1.00 0.00 N ATOM 185 C2 DC A 7 -4.693 2.864 13.450 1.00 0.00 C ATOM 186 O2 DC A 7 -5.181 1.797 13.825 1.00 0.00 O ATOM 187 N3 DC A 7 -4.110 2.903 12.228 1.00 0.00 N ATOM 188 C4 DC A 7 -3.541 4.007 11.793 1.00 0.00 C ATOM 189 N4 DC A 7 -2.938 3.884 10.634 1.00 0.00 N ATOM 190 C5 DC A 7 -3.448 5.180 12.594 1.00 0.00 C ATOM 191 C6 DC A 7 -3.991 5.124 13.840 1.00 0.00 C ATOM 0 H5' DC A 7 -5.575 6.435 18.849 1.00 0.00 H new ATOM 0 H5'' DC A 7 -4.279 5.587 19.668 1.00 0.00 H new ATOM 0 H4' DC A 7 -5.649 4.314 18.311 1.00 0.00 H new ATOM 0 H3' DC A 7 -2.732 4.304 17.530 1.00 0.00 H new ATOM 0 H2' DC A 7 -3.226 2.690 15.790 1.00 0.00 H new ATOM 0 H2'' DC A 7 -4.552 2.002 16.706 1.00 0.00 H new ATOM 0 H1' DC A 7 -6.080 3.475 15.650 1.00 0.00 H new ATOM 0 H41 DC A 7 -2.468 4.687 10.216 1.00 0.00 H new ATOM 0 H42 DC A 7 -2.939 2.985 10.151 1.00 0.00 H new ATOM 0 H5 DC A 7 -2.967 6.075 12.228 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.912 5.978 14.496 1.00 0.00 H new ATOM 203 P DT A 8 -4.219 2.020 19.639 1.00 0.00 P ATOM 204 OP1 DT A 8 -5.622 2.196 19.225 1.00 0.00 O ATOM 205 OP2 DT A 8 -3.780 2.400 21.001 1.00 0.00 O ATOM 206 O5' DT A 8 -3.746 0.508 19.327 1.00 0.00 O ATOM 207 C5' DT A 8 -4.373 -0.304 18.336 1.00 0.00 C ATOM 208 C4' DT A 8 -3.872 -1.759 18.341 1.00 0.00 C ATOM 209 O4' DT A 8 -2.564 -1.835 17.789 1.00 0.00 O ATOM 210 C3' DT A 8 -3.819 -2.352 19.756 1.00 0.00 C ATOM 211 O3' DT A 8 -4.170 -3.727 19.791 1.00 0.00 O ATOM 212 C2' DT A 8 -2.355 -2.171 20.126 1.00 0.00 C ATOM 213 C1' DT A 8 -1.651 -2.291 18.777 1.00 0.00 C ATOM 214 N1 DT A 8 -0.411 -1.474 18.746 1.00 0.00 N ATOM 215 C2 DT A 8 0.822 -2.113 18.898 1.00 0.00 C ATOM 216 O2 DT A 8 0.942 -3.312 19.124 1.00 0.00 O ATOM 217 N3 DT A 8 1.947 -1.315 18.817 1.00 0.00 N ATOM 218 C4 DT A 8 1.954 0.054 18.635 1.00 0.00 C ATOM 219 O4 DT A 8 3.033 0.635 18.565 1.00 0.00 O ATOM 220 C5 DT A 8 0.628 0.665 18.563 1.00 0.00 C ATOM 221 C7 DT A 8 0.487 2.169 18.420 1.00 0.00 C ATOM 222 C6 DT A 8 -0.490 -0.105 18.622 1.00 0.00 C ATOM 0 H5' DT A 8 -4.195 0.132 17.353 1.00 0.00 H new ATOM 0 H5'' DT A 8 -5.451 -0.297 18.498 1.00 0.00 H new ATOM 0 H4' DT A 8 -4.582 -2.330 17.743 1.00 0.00 H new ATOM 0 H3' DT A 8 -4.525 -1.872 20.434 1.00 0.00 H new ATOM 0 H2' DT A 8 -2.172 -1.204 20.594 1.00 0.00 H new ATOM 0 H2'' DT A 8 -2.017 -2.933 20.828 1.00 0.00 H new ATOM 0 H1' DT A 8 -1.358 -3.325 18.595 1.00 0.00 H new ATOM 0 H3 DT A 8 2.852 -1.778 18.899 1.00 0.00 H new ATOM 0 H71 DT A 8 1.334 2.661 18.899 1.00 0.00 H new ATOM 0 H72 DT A 8 0.464 2.433 17.363 1.00 0.00 H new ATOM 0 H73 DT A 8 -0.438 2.495 18.895 1.00 0.00 H new ATOM 0 H6 DT A 8 -1.460 0.366 18.571 1.00 0.00 H new ATOM 235 P DG A 9 -5.686 -4.206 19.561 1.00 0.00 P ATOM 236 OP1 DG A 9 -6.584 -3.077 19.883 1.00 0.00 O ATOM 237 OP2 DG A 9 -5.935 -5.428 20.355 1.00 0.00 O ATOM 238 O5' DG A 9 -5.843 -4.545 18.003 1.00 0.00 O ATOM 239 C5' DG A 9 -5.206 -5.667 17.420 1.00 0.00 C ATOM 240 C4' DG A 9 -5.749 -5.877 15.999 1.00 0.00 C ATOM 241 O4' DG A 9 -5.204 -4.941 15.080 1.00 0.00 O ATOM 242 C3' DG A 9 -5.404 -7.260 15.430 1.00 0.00 C ATOM 243 O3' DG A 9 -6.498 -7.809 14.720 1.00 0.00 O ATOM 244 C2' DG A 9 -4.250 -7.011 14.462 1.00 0.00 C ATOM 245 C1' DG A 9 -4.061 -5.488 14.446 1.00 0.00 C ATOM 246 N9 DG A 9 -2.799 -4.994 15.063 1.00 0.00 N ATOM 247 C8 DG A 9 -1.780 -5.687 15.679 1.00 0.00 C ATOM 248 N7 DG A 9 -0.725 -4.972 15.944 1.00 0.00 N ATOM 249 C5 DG A 9 -1.062 -3.701 15.485 1.00 0.00 C ATOM 250 C6 DG A 9 -0.310 -2.480 15.459 1.00 0.00 C ATOM 251 O6 DG A 9 0.844 -2.262 15.813 1.00 0.00 O ATOM 252 N1 DG A 9 -1.021 -1.414 14.948 1.00 0.00 N ATOM 253 C2 DG A 9 -2.293 -1.503 14.479 1.00 0.00 C ATOM 254 N2 DG A 9 -2.873 -0.371 14.148 1.00 0.00 N ATOM 255 N3 DG A 9 -2.999 -2.632 14.415 1.00 0.00 N ATOM 256 C4 DG A 9 -2.336 -3.700 14.957 1.00 0.00 C ATOM 0 H5' DG A 9 -5.384 -6.556 18.025 1.00 0.00 H new ATOM 0 H5'' DG A 9 -4.127 -5.513 17.390 1.00 0.00 H new ATOM 0 H4' DG A 9 -6.828 -5.759 16.103 1.00 0.00 H new ATOM 0 H3' DG A 9 -5.153 -7.962 16.225 1.00 0.00 H new ATOM 0 H2' DG A 9 -3.343 -7.517 14.792 1.00 0.00 H new ATOM 0 H2'' DG A 9 -4.482 -7.390 13.467 1.00 0.00 H new ATOM 0 HO3' DG A 9 -6.250 -8.689 14.367 1.00 0.00 H new ATOM 0 H1' DG A 9 -3.963 -5.162 13.410 1.00 0.00 H new ATOM 0 H8 DG A 9 -1.851 -6.737 15.922 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.564 -0.503 14.921 1.00 0.00 H new ATOM 0 H21 DG A 9 -3.828 -0.373 13.789 1.00 0.00 H new ATOM 0 H22 DG A 9 -2.368 0.509 14.250 1.00 0.00 H new TER 269 DG A 9 HETATM 270 NA NA A 101 1.147 2.786 3.944 1.00 0.00 NA HETATM 271 NA NA A 102 3.851 10.113 12.603 1.00 0.00 NA HETATM 272 NA NA A 103 -2.302 4.077 20.578 1.00 0.00 NA HETATM 273 NA NA A 104 5.880 6.344 7.279 1.00 0.00 NA HETATM 274 NA NA A 105 -2.457 1.206 12.124 1.00 0.00 NA HETATM 275 NA NA A 106 -7.569 -4.303 21.531 1.00 0.00 NA HETATM 276 NA NA A 107 -5.918 -6.821 4.565 1.00 0.00 NA HETATM 277 NA NA A 108 0.608 8.999 18.240 1.00 0.00 NA