USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 253 hydrogens (14 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 5 DT C7 :methyl 150:sc= -1.29 (180deg=-1.29) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.633 (180deg=-1.06) USER MOD Single : A 11 DC O3' : rot 180:sc= 0 USER MOD Single : B 12 DG O5' : rot 180:sc= 0 USER MOD Single : B 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 19 DT C7 :methyl 150:sc= -0.373 (180deg=-0.373) USER MOD Single : B 22 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 9.239 -15.064 -1.050 1.00 0.00 O ATOM 2 C5' DC A 1 7.884 -15.061 -0.655 1.00 0.00 C ATOM 3 C4' DC A 1 6.971 -14.908 -1.877 1.00 0.00 C ATOM 4 O4' DC A 1 5.641 -15.079 -1.416 1.00 0.00 O ATOM 5 C3' DC A 1 7.064 -13.501 -2.488 1.00 0.00 C ATOM 6 O3' DC A 1 7.162 -13.625 -3.897 1.00 0.00 O ATOM 7 C2' DC A 1 5.747 -12.866 -2.049 1.00 0.00 C ATOM 8 C1' DC A 1 4.836 -14.088 -2.023 1.00 0.00 C ATOM 9 N1 DC A 1 3.622 -13.890 -1.182 1.00 0.00 N ATOM 10 C2 DC A 1 2.364 -13.922 -1.790 1.00 0.00 C ATOM 11 O2 DC A 1 2.247 -14.043 -3.007 1.00 0.00 O ATOM 12 N3 DC A 1 1.254 -13.816 -1.003 1.00 0.00 N ATOM 13 C4 DC A 1 1.359 -13.641 0.323 1.00 0.00 C ATOM 14 N4 DC A 1 0.242 -13.547 1.051 1.00 0.00 N ATOM 15 C5 DC A 1 2.640 -13.579 0.968 1.00 0.00 C ATOM 16 C6 DC A 1 3.732 -13.711 0.178 1.00 0.00 C ATOM 0 H5' DC A 1 7.705 -14.245 0.045 1.00 0.00 H new ATOM 0 H5'' DC A 1 7.649 -15.988 -0.132 1.00 0.00 H new ATOM 0 H4' DC A 1 7.266 -15.635 -2.634 1.00 0.00 H new ATOM 0 H3' DC A 1 7.925 -12.909 -2.177 1.00 0.00 H new ATOM 0 H2' DC A 1 5.824 -12.387 -1.073 1.00 0.00 H new ATOM 0 H2'' DC A 1 5.400 -12.107 -2.750 1.00 0.00 H new ATOM 0 HO5' DC A 1 9.810 -15.161 -0.259 1.00 0.00 H new ATOM 0 H1' DC A 1 4.475 -14.327 -3.023 1.00 0.00 H new ATOM 0 H41 DC A 1 0.301 -13.414 2.061 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.669 -13.608 0.597 1.00 0.00 H new ATOM 0 H5 DC A 1 2.729 -13.434 2.034 1.00 0.00 H new ATOM 0 H6 DC A 1 4.714 -13.675 0.627 1.00 0.00 H new ATOM 29 P DG A 2 7.398 -12.350 -4.862 1.00 0.00 P ATOM 30 OP1 DG A 2 8.176 -12.805 -6.035 1.00 0.00 O ATOM 31 OP2 DG A 2 7.903 -11.229 -4.039 1.00 0.00 O ATOM 32 O5' DG A 2 5.908 -11.973 -5.355 1.00 0.00 O ATOM 33 C5' DG A 2 5.242 -12.731 -6.349 1.00 0.00 C ATOM 34 C4' DG A 2 3.912 -12.074 -6.737 1.00 0.00 C ATOM 35 O4' DG A 2 3.022 -12.183 -5.638 1.00 0.00 O ATOM 36 C3' DG A 2 4.074 -10.580 -7.062 1.00 0.00 C ATOM 37 O3' DG A 2 3.295 -10.333 -8.222 1.00 0.00 O ATOM 38 C2' DG A 2 3.501 -9.946 -5.795 1.00 0.00 C ATOM 39 C1' DG A 2 2.412 -10.922 -5.465 1.00 0.00 C ATOM 40 N9 DG A 2 1.849 -10.840 -4.104 1.00 0.00 N ATOM 41 C8 DG A 2 2.489 -10.583 -2.923 1.00 0.00 C ATOM 42 N7 DG A 2 1.728 -10.694 -1.869 1.00 0.00 N ATOM 43 C5 DG A 2 0.479 -11.014 -2.395 1.00 0.00 C ATOM 44 C6 DG A 2 -0.770 -11.231 -1.739 1.00 0.00 C ATOM 45 O6 DG A 2 -0.990 -11.291 -0.533 1.00 0.00 O ATOM 46 N1 DG A 2 -1.825 -11.383 -2.635 1.00 0.00 N ATOM 47 C2 DG A 2 -1.686 -11.376 -4.012 1.00 0.00 C ATOM 48 N2 DG A 2 -2.793 -11.526 -4.745 1.00 0.00 N ATOM 49 N3 DG A 2 -0.503 -11.231 -4.630 1.00 0.00 N ATOM 50 C4 DG A 2 0.534 -11.049 -3.768 1.00 0.00 C ATOM 0 H5' DG A 2 5.060 -13.741 -5.981 1.00 0.00 H new ATOM 0 H5'' DG A 2 5.878 -12.822 -7.230 1.00 0.00 H new ATOM 0 H4' DG A 2 3.536 -12.581 -7.625 1.00 0.00 H new ATOM 0 H3' DG A 2 5.075 -10.208 -7.279 1.00 0.00 H new ATOM 0 H2' DG A 2 4.242 -9.868 -5.000 1.00 0.00 H new ATOM 0 H2'' DG A 2 3.117 -8.941 -5.972 1.00 0.00 H new ATOM 0 H1' DG A 2 1.554 -10.716 -6.105 1.00 0.00 H new ATOM 0 H8 DG A 2 3.533 -10.312 -2.868 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.762 -11.508 -2.251 1.00 0.00 H new ATOM 0 H21 DG A 2 -2.734 -11.527 -5.763 1.00 0.00 H new ATOM 0 H22 DG A 2 -3.697 -11.640 -4.286 1.00 0.00 H new ATOM 62 P DC A 3 3.059 -8.865 -8.855 1.00 0.00 P ATOM 63 OP1 DC A 3 3.280 -8.953 -10.315 1.00 0.00 O ATOM 64 OP2 DC A 3 3.799 -7.861 -8.059 1.00 0.00 O ATOM 65 O5' DC A 3 1.479 -8.661 -8.593 1.00 0.00 O ATOM 66 C5' DC A 3 0.526 -9.514 -9.205 1.00 0.00 C ATOM 67 C4' DC A 3 -0.913 -9.064 -8.927 1.00 0.00 C ATOM 68 O4' DC A 3 -1.154 -9.182 -7.534 1.00 0.00 O ATOM 69 C3' DC A 3 -1.140 -7.602 -9.320 1.00 0.00 C ATOM 70 O3' DC A 3 -2.425 -7.522 -9.918 1.00 0.00 O ATOM 71 C2' DC A 3 -1.067 -6.892 -7.970 1.00 0.00 C ATOM 72 C1' DC A 3 -1.657 -7.953 -7.039 1.00 0.00 C ATOM 73 N1 DC A 3 -1.200 -7.883 -5.622 1.00 0.00 N ATOM 74 C2 DC A 3 -2.117 -8.145 -4.599 1.00 0.00 C ATOM 75 O2 DC A 3 -3.302 -8.362 -4.844 1.00 0.00 O ATOM 76 N3 DC A 3 -1.676 -8.157 -3.307 1.00 0.00 N ATOM 77 C4 DC A 3 -0.385 -7.936 -3.018 1.00 0.00 C ATOM 78 N4 DC A 3 0.004 -7.953 -1.740 1.00 0.00 N ATOM 79 C5 DC A 3 0.586 -7.736 -4.054 1.00 0.00 C ATOM 80 C6 DC A 3 0.132 -7.719 -5.329 1.00 0.00 C ATOM 0 H5' DC A 3 0.664 -10.532 -8.840 1.00 0.00 H new ATOM 0 H5'' DC A 3 0.697 -9.535 -10.281 1.00 0.00 H new ATOM 0 H4' DC A 3 -1.584 -9.690 -9.515 1.00 0.00 H new ATOM 0 H3' DC A 3 -0.437 -7.172 -10.033 1.00 0.00 H new ATOM 0 H2' DC A 3 -0.044 -6.630 -7.698 1.00 0.00 H new ATOM 0 H2'' DC A 3 -1.646 -5.969 -7.960 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.739 -7.822 -7.032 1.00 0.00 H new ATOM 0 H41 DC A 3 0.982 -7.787 -1.502 1.00 0.00 H new ATOM 0 H42 DC A 3 -0.677 -8.132 -1.002 1.00 0.00 H new ATOM 0 H5 DC A 3 1.634 -7.605 -3.827 1.00 0.00 H new ATOM 0 H6 DC A 3 0.835 -7.573 -6.136 1.00 0.00 H new ATOM 92 P DA A 4 -3.071 -6.133 -10.432 1.00 0.00 P ATOM 93 OP1 DA A 4 -4.022 -6.442 -11.523 1.00 0.00 O ATOM 94 OP2 DA A 4 -1.981 -5.159 -10.659 1.00 0.00 O ATOM 95 O5' DA A 4 -3.918 -5.655 -9.143 1.00 0.00 O ATOM 96 C5' DA A 4 -5.125 -6.296 -8.782 1.00 0.00 C ATOM 97 C4' DA A 4 -5.692 -5.680 -7.501 1.00 0.00 C ATOM 98 O4' DA A 4 -4.932 -6.050 -6.375 1.00 0.00 O ATOM 99 C3' DA A 4 -5.876 -4.162 -7.542 1.00 0.00 C ATOM 100 O3' DA A 4 -7.248 -3.816 -7.385 1.00 0.00 O ATOM 101 C2' DA A 4 -5.045 -3.844 -6.342 1.00 0.00 C ATOM 102 C1' DA A 4 -5.168 -5.032 -5.433 1.00 0.00 C ATOM 103 N9 DA A 4 -4.068 -5.087 -4.475 1.00 0.00 N ATOM 104 C8 DA A 4 -2.758 -5.011 -4.805 1.00 0.00 C ATOM 105 N7 DA A 4 -1.936 -5.068 -3.795 1.00 0.00 N ATOM 106 C5 DA A 4 -2.794 -5.211 -2.706 1.00 0.00 C ATOM 107 C6 DA A 4 -2.575 -5.348 -1.322 1.00 0.00 C ATOM 108 N6 DA A 4 -1.352 -5.388 -0.784 1.00 0.00 N ATOM 109 N1 DA A 4 -3.645 -5.451 -0.512 1.00 0.00 N ATOM 110 C2 DA A 4 -4.867 -5.430 -1.039 1.00 0.00 C ATOM 111 N3 DA A 4 -5.207 -5.322 -2.320 1.00 0.00 N ATOM 112 C4 DA A 4 -4.107 -5.219 -3.112 1.00 0.00 C ATOM 0 H5' DA A 4 -4.949 -7.361 -8.634 1.00 0.00 H new ATOM 0 H5'' DA A 4 -5.850 -6.202 -9.590 1.00 0.00 H new ATOM 0 H4' DA A 4 -6.696 -6.096 -7.419 1.00 0.00 H new ATOM 0 H3' DA A 4 -5.597 -3.640 -8.457 1.00 0.00 H new ATOM 0 H2' DA A 4 -4.006 -3.671 -6.621 1.00 0.00 H new ATOM 0 H2'' DA A 4 -5.398 -2.937 -5.851 1.00 0.00 H new ATOM 0 H1' DA A 4 -6.095 -5.060 -4.861 1.00 0.00 H new ATOM 0 H8 DA A 4 -2.420 -4.911 -5.826 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.242 -5.488 0.225 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.529 -5.318 -1.383 1.00 0.00 H new ATOM 0 H2 DA A 4 -5.685 -5.511 -0.338 1.00 0.00 H new ATOM 124 P DT A 5 -7.759 -2.287 -7.188 1.00 0.00 P ATOM 125 OP1 DT A 5 -9.142 -2.199 -7.709 1.00 0.00 O ATOM 126 OP2 DT A 5 -6.720 -1.375 -7.716 1.00 0.00 O ATOM 127 O5' DT A 5 -7.815 -2.101 -5.578 1.00 0.00 O ATOM 128 C5' DT A 5 -8.798 -2.762 -4.802 1.00 0.00 C ATOM 129 C4' DT A 5 -8.662 -2.474 -3.300 1.00 0.00 C ATOM 130 O4' DT A 5 -7.437 -2.960 -2.819 1.00 0.00 O ATOM 131 C3' DT A 5 -8.803 -1.002 -2.887 1.00 0.00 C ATOM 132 O3' DT A 5 -9.925 -0.908 -2.018 1.00 0.00 O ATOM 133 C2' DT A 5 -7.489 -0.720 -2.168 1.00 0.00 C ATOM 134 C1' DT A 5 -7.031 -2.115 -1.762 1.00 0.00 C ATOM 135 N1 DT A 5 -5.559 -2.161 -1.799 1.00 0.00 N ATOM 136 C2 DT A 5 -4.854 -2.296 -0.614 1.00 0.00 C ATOM 137 O2 DT A 5 -5.388 -2.572 0.456 1.00 0.00 O ATOM 138 N3 DT A 5 -3.487 -2.092 -0.707 1.00 0.00 N ATOM 139 C4 DT A 5 -2.760 -1.964 -1.881 1.00 0.00 C ATOM 140 O4 DT A 5 -1.531 -1.939 -1.833 1.00 0.00 O ATOM 141 C5 DT A 5 -3.576 -1.867 -3.084 1.00 0.00 C ATOM 142 C7 DT A 5 -2.893 -1.679 -4.426 1.00 0.00 C ATOM 143 C6 DT A 5 -4.933 -1.948 -2.998 1.00 0.00 C ATOM 0 H5' DT A 5 -8.725 -3.837 -4.969 1.00 0.00 H new ATOM 0 H5'' DT A 5 -9.788 -2.454 -5.138 1.00 0.00 H new ATOM 0 H4' DT A 5 -9.509 -2.993 -2.852 1.00 0.00 H new ATOM 0 H3' DT A 5 -8.968 -0.295 -3.700 1.00 0.00 H new ATOM 0 H2' DT A 5 -6.767 -0.229 -2.820 1.00 0.00 H new ATOM 0 H2'' DT A 5 -7.630 -0.071 -1.303 1.00 0.00 H new ATOM 0 H1' DT A 5 -7.419 -2.385 -0.780 1.00 0.00 H new ATOM 0 H3 DT A 5 -2.967 -2.030 0.169 1.00 0.00 H new ATOM 0 H71 DT A 5 -3.497 -2.137 -5.209 1.00 0.00 H new ATOM 0 H72 DT A 5 -2.780 -0.614 -4.631 1.00 0.00 H new ATOM 0 H73 DT A 5 -1.910 -2.150 -4.403 1.00 0.00 H new ATOM 0 H6 DT A 5 -5.527 -1.842 -3.894 1.00 0.00 H new ATOM 156 P DA A 6 -10.379 0.464 -1.290 1.00 0.00 P ATOM 157 OP1 DA A 6 -11.774 0.291 -0.826 1.00 0.00 O ATOM 158 OP2 DA A 6 -10.040 1.596 -2.181 1.00 0.00 O ATOM 159 O5' DA A 6 -9.426 0.551 0.016 1.00 0.00 O ATOM 160 C5' DA A 6 -9.489 -0.402 1.062 1.00 0.00 C ATOM 161 C4' DA A 6 -8.486 -0.073 2.181 1.00 0.00 C ATOM 162 O4' DA A 6 -7.203 -0.542 1.805 1.00 0.00 O ATOM 163 C3' DA A 6 -8.362 1.428 2.509 1.00 0.00 C ATOM 164 O3' DA A 6 -9.023 1.719 3.730 1.00 0.00 O ATOM 165 C2' DA A 6 -6.861 1.534 2.585 1.00 0.00 C ATOM 166 C1' DA A 6 -6.265 0.170 2.586 1.00 0.00 C ATOM 167 N9 DA A 6 -4.988 0.273 1.846 1.00 0.00 N ATOM 168 C8 DA A 6 -4.867 0.504 0.513 1.00 0.00 C ATOM 169 N7 DA A 6 -3.664 0.654 0.056 1.00 0.00 N ATOM 170 C5 DA A 6 -2.910 0.507 1.202 1.00 0.00 C ATOM 171 C6 DA A 6 -1.525 0.431 1.406 1.00 0.00 C ATOM 172 N6 DA A 6 -0.662 0.391 0.387 1.00 0.00 N ATOM 173 N1 DA A 6 -1.083 0.316 2.668 1.00 0.00 N ATOM 174 C2 DA A 6 -1.972 0.276 3.658 1.00 0.00 C ATOM 175 N3 DA A 6 -3.297 0.300 3.601 1.00 0.00 N ATOM 176 C4 DA A 6 -3.710 0.399 2.316 1.00 0.00 C ATOM 0 H5' DA A 6 -9.280 -1.395 0.665 1.00 0.00 H new ATOM 0 H5'' DA A 6 -10.499 -0.428 1.472 1.00 0.00 H new ATOM 0 H4' DA A 6 -8.869 -0.565 3.075 1.00 0.00 H new ATOM 0 H3' DA A 6 -8.814 2.129 1.808 1.00 0.00 H new ATOM 0 H2' DA A 6 -6.483 2.107 1.738 1.00 0.00 H new ATOM 0 H2'' DA A 6 -6.569 2.070 3.488 1.00 0.00 H new ATOM 0 H1' DA A 6 -6.079 -0.277 3.563 1.00 0.00 H new ATOM 0 H8 DA A 6 -5.730 0.560 -0.134 1.00 0.00 H new ATOM 0 H61 DA A 6 0.340 0.336 0.569 1.00 0.00 H new ATOM 0 H62 DA A 6 -1.005 0.416 -0.573 1.00 0.00 H new ATOM 0 H2 DA A 6 -1.554 0.215 4.652 1.00 0.00 H new ATOM 188 P DT A 7 -9.020 3.192 4.406 1.00 0.00 P ATOM 189 OP1 DT A 7 -10.025 3.194 5.492 1.00 0.00 O ATOM 190 OP2 DT A 7 -9.103 4.203 3.329 1.00 0.00 O ATOM 191 O5' DT A 7 -7.559 3.303 5.083 1.00 0.00 O ATOM 192 C5' DT A 7 -7.108 2.349 6.028 1.00 0.00 C ATOM 193 C4' DT A 7 -5.657 2.623 6.441 1.00 0.00 C ATOM 194 O4' DT A 7 -4.827 2.402 5.310 1.00 0.00 O ATOM 195 C3' DT A 7 -5.463 4.077 6.888 1.00 0.00 C ATOM 196 O3' DT A 7 -4.884 4.090 8.183 1.00 0.00 O ATOM 197 C2' DT A 7 -4.525 4.620 5.813 1.00 0.00 C ATOM 198 C1' DT A 7 -3.801 3.373 5.319 1.00 0.00 C ATOM 199 N1 DT A 7 -3.270 3.539 3.949 1.00 0.00 N ATOM 200 C2 DT A 7 -1.900 3.402 3.720 1.00 0.00 C ATOM 201 O2 DT A 7 -1.071 3.249 4.614 1.00 0.00 O ATOM 202 N3 DT A 7 -1.497 3.448 2.395 1.00 0.00 N ATOM 203 C4 DT A 7 -2.321 3.657 1.300 1.00 0.00 C ATOM 204 O4 DT A 7 -1.835 3.662 0.171 1.00 0.00 O ATOM 205 C5 DT A 7 -3.725 3.853 1.637 1.00 0.00 C ATOM 206 C7 DT A 7 -4.748 4.100 0.552 1.00 0.00 C ATOM 207 C6 DT A 7 -4.139 3.788 2.925 1.00 0.00 C ATOM 0 H5' DT A 7 -7.186 1.348 5.604 1.00 0.00 H new ATOM 0 H5'' DT A 7 -7.750 2.373 6.908 1.00 0.00 H new ATOM 0 H4' DT A 7 -5.404 1.964 7.272 1.00 0.00 H new ATOM 0 H3' DT A 7 -6.374 4.670 6.972 1.00 0.00 H new ATOM 0 H2' DT A 7 -5.075 5.111 5.010 1.00 0.00 H new ATOM 0 H2'' DT A 7 -3.830 5.355 6.219 1.00 0.00 H new ATOM 0 H1' DT A 7 -2.941 3.125 5.941 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.503 3.316 2.208 1.00 0.00 H new ATOM 0 H71 DT A 7 -4.274 4.612 -0.285 1.00 0.00 H new ATOM 0 H72 DT A 7 -5.155 3.148 0.212 1.00 0.00 H new ATOM 0 H73 DT A 7 -5.554 4.719 0.946 1.00 0.00 H new ATOM 0 H6 DT A 7 -5.185 3.937 3.149 1.00 0.00 H new ATOM 220 P DA A 8 -4.640 5.460 9.009 1.00 0.00 P ATOM 221 OP1 DA A 8 -4.641 5.133 10.453 1.00 0.00 O ATOM 222 OP2 DA A 8 -5.559 6.498 8.491 1.00 0.00 O ATOM 223 O5' DA A 8 -3.138 5.864 8.585 1.00 0.00 O ATOM 224 C5' DA A 8 -2.023 5.160 9.091 1.00 0.00 C ATOM 225 C4' DA A 8 -0.724 5.695 8.485 1.00 0.00 C ATOM 226 O4' DA A 8 -0.655 5.347 7.114 1.00 0.00 O ATOM 227 C3' DA A 8 -0.580 7.222 8.584 1.00 0.00 C ATOM 228 O3' DA A 8 0.617 7.527 9.283 1.00 0.00 O ATOM 229 C2' DA A 8 -0.552 7.594 7.128 1.00 0.00 C ATOM 230 C1' DA A 8 0.065 6.389 6.496 1.00 0.00 C ATOM 231 N9 DA A 8 -0.164 6.368 5.044 1.00 0.00 N ATOM 232 C8 DA A 8 -1.344 6.572 4.394 1.00 0.00 C ATOM 233 N7 DA A 8 -1.277 6.456 3.097 1.00 0.00 N ATOM 234 C5 DA A 8 0.069 6.178 2.875 1.00 0.00 C ATOM 235 C6 DA A 8 0.820 5.913 1.711 1.00 0.00 C ATOM 236 N6 DA A 8 0.272 5.793 0.495 1.00 0.00 N ATOM 237 N1 DA A 8 2.150 5.755 1.840 1.00 0.00 N ATOM 238 C2 DA A 8 2.705 5.817 3.049 1.00 0.00 C ATOM 239 N3 DA A 8 2.106 6.005 4.219 1.00 0.00 N ATOM 240 C4 DA A 8 0.767 6.178 4.058 1.00 0.00 C ATOM 0 H5' DA A 8 -2.125 4.098 8.866 1.00 0.00 H new ATOM 0 H5'' DA A 8 -1.989 5.254 10.176 1.00 0.00 H new ATOM 0 H4' DA A 8 0.081 5.241 9.063 1.00 0.00 H new ATOM 0 H3' DA A 8 -1.356 7.758 9.130 1.00 0.00 H new ATOM 0 H2' DA A 8 -1.552 7.788 6.740 1.00 0.00 H new ATOM 0 H2'' DA A 8 0.039 8.492 6.950 1.00 0.00 H new ATOM 0 H1' DA A 8 1.146 6.336 6.622 1.00 0.00 H new ATOM 0 H8 DA A 8 -2.261 6.811 4.912 1.00 0.00 H new ATOM 0 H61 DA A 8 0.863 5.601 -0.314 1.00 0.00 H new ATOM 0 H62 DA A 8 -0.736 5.894 0.378 1.00 0.00 H new ATOM 0 H2 DA A 8 3.778 5.699 3.082 1.00 0.00 H new ATOM 252 P DG A 9 1.083 9.042 9.610 1.00 0.00 P ATOM 253 OP1 DG A 9 1.488 9.103 11.032 1.00 0.00 O ATOM 254 OP2 DG A 9 0.066 9.985 9.095 1.00 0.00 O ATOM 255 O5' DG A 9 2.405 9.194 8.699 1.00 0.00 O ATOM 256 C5' DG A 9 3.556 8.411 8.948 1.00 0.00 C ATOM 257 C4' DG A 9 4.766 8.878 8.131 1.00 0.00 C ATOM 258 O4' DG A 9 4.516 8.659 6.753 1.00 0.00 O ATOM 259 C3' DG A 9 5.062 10.368 8.308 1.00 0.00 C ATOM 260 O3' DG A 9 6.477 10.469 8.239 1.00 0.00 O ATOM 261 C2' DG A 9 4.304 10.988 7.136 1.00 0.00 C ATOM 262 C1' DG A 9 4.406 9.899 6.070 1.00 0.00 C ATOM 263 N9 DG A 9 3.254 9.733 5.155 1.00 0.00 N ATOM 264 C8 DG A 9 1.918 9.979 5.356 1.00 0.00 C ATOM 265 N7 DG A 9 1.177 9.765 4.302 1.00 0.00 N ATOM 266 C5 DG A 9 2.081 9.345 3.330 1.00 0.00 C ATOM 267 C6 DG A 9 1.882 9.032 1.949 1.00 0.00 C ATOM 268 O6 DG A 9 0.827 9.005 1.322 1.00 0.00 O ATOM 269 N1 DG A 9 3.074 8.728 1.291 1.00 0.00 N ATOM 270 C2 DG A 9 4.311 8.679 1.904 1.00 0.00 C ATOM 271 N2 DG A 9 5.365 8.388 1.137 1.00 0.00 N ATOM 272 N3 DG A 9 4.496 8.954 3.203 1.00 0.00 N ATOM 273 C4 DG A 9 3.349 9.289 3.856 1.00 0.00 C ATOM 0 H5' DG A 9 3.342 7.369 8.712 1.00 0.00 H new ATOM 0 H5'' DG A 9 3.799 8.454 10.010 1.00 0.00 H new ATOM 0 H4' DG A 9 5.622 8.307 8.490 1.00 0.00 H new ATOM 0 H3' DG A 9 4.758 10.861 9.232 1.00 0.00 H new ATOM 0 H2' DG A 9 3.268 11.210 7.393 1.00 0.00 H new ATOM 0 H2'' DG A 9 4.758 11.923 6.807 1.00 0.00 H new ATOM 0 H1' DG A 9 5.252 10.199 5.452 1.00 0.00 H new ATOM 0 H8 DG A 9 1.517 10.318 6.299 1.00 0.00 H new ATOM 0 H1 DG A 9 3.029 8.529 0.292 1.00 0.00 H new ATOM 0 H21 DG A 9 6.297 8.341 1.548 1.00 0.00 H new ATOM 0 H22 DG A 9 5.237 8.213 0.140 1.00 0.00 H new ATOM 285 P DC A 10 7.300 11.848 8.069 1.00 0.00 P ATOM 286 OP1 DC A 10 8.566 11.722 8.825 1.00 0.00 O ATOM 287 OP2 DC A 10 6.400 12.994 8.327 1.00 0.00 O ATOM 288 O5' DC A 10 7.646 11.794 6.491 1.00 0.00 O ATOM 289 C5' DC A 10 8.413 10.726 5.958 1.00 0.00 C ATOM 290 C4' DC A 10 8.736 10.899 4.466 1.00 0.00 C ATOM 291 O4' DC A 10 7.535 10.600 3.791 1.00 0.00 O ATOM 292 C3' DC A 10 9.156 12.319 4.059 1.00 0.00 C ATOM 293 O3' DC A 10 10.560 12.439 3.881 1.00 0.00 O ATOM 294 C2' DC A 10 8.427 12.504 2.735 1.00 0.00 C ATOM 295 C1' DC A 10 7.472 11.340 2.593 1.00 0.00 C ATOM 296 N1 DC A 10 6.072 11.796 2.417 1.00 0.00 N ATOM 297 C2 DC A 10 5.527 11.795 1.134 1.00 0.00 C ATOM 298 O2 DC A 10 6.242 11.615 0.151 1.00 0.00 O ATOM 299 N3 DC A 10 4.184 11.998 0.993 1.00 0.00 N ATOM 300 C4 DC A 10 3.404 12.210 2.065 1.00 0.00 C ATOM 301 N4 DC A 10 2.087 12.353 1.891 1.00 0.00 N ATOM 302 C5 DC A 10 3.961 12.258 3.389 1.00 0.00 C ATOM 303 C6 DC A 10 5.290 12.066 3.510 1.00 0.00 C ATOM 0 H5' DC A 10 7.870 9.791 6.100 1.00 0.00 H new ATOM 0 H5'' DC A 10 9.345 10.642 6.517 1.00 0.00 H new ATOM 0 H4' DC A 10 9.582 10.256 4.222 1.00 0.00 H new ATOM 0 H3' DC A 10 8.911 13.064 4.816 1.00 0.00 H new ATOM 0 H2' DC A 10 7.887 13.451 2.721 1.00 0.00 H new ATOM 0 H2'' DC A 10 9.133 12.527 1.905 1.00 0.00 H new ATOM 0 H1' DC A 10 7.756 10.755 1.718 1.00 0.00 H new ATOM 0 H41 DC A 10 1.481 12.515 2.695 1.00 0.00 H new ATOM 0 H42 DC A 10 1.688 12.301 0.954 1.00 0.00 H new ATOM 0 H5 DC A 10 3.339 12.441 4.253 1.00 0.00 H new ATOM 0 H6 DC A 10 5.747 12.126 4.487 1.00 0.00 H new ATOM 315 P DC A 11 11.263 13.845 3.465 1.00 0.00 P ATOM 316 OP1 DC A 11 12.728 13.676 3.598 1.00 0.00 O ATOM 317 OP2 DC A 11 10.586 14.935 4.201 1.00 0.00 O ATOM 318 O5' DC A 11 10.931 14.038 1.891 1.00 0.00 O ATOM 319 C5' DC A 11 11.567 13.256 0.895 1.00 0.00 C ATOM 320 C4' DC A 11 10.956 13.496 -0.494 1.00 0.00 C ATOM 321 O4' DC A 11 9.596 13.128 -0.506 1.00 0.00 O ATOM 322 C3' DC A 11 11.057 14.926 -1.018 1.00 0.00 C ATOM 323 O3' DC A 11 12.273 15.129 -1.705 1.00 0.00 O ATOM 324 C2' DC A 11 9.870 14.975 -1.980 1.00 0.00 C ATOM 325 C1' DC A 11 8.932 13.840 -1.539 1.00 0.00 C ATOM 326 N1 DC A 11 7.691 14.359 -0.907 1.00 0.00 N ATOM 327 C2 DC A 11 6.465 14.248 -1.569 1.00 0.00 C ATOM 328 O2 DC A 11 6.395 13.816 -2.719 1.00 0.00 O ATOM 329 N3 DC A 11 5.336 14.634 -0.906 1.00 0.00 N ATOM 330 C4 DC A 11 5.395 15.128 0.341 1.00 0.00 C ATOM 331 N4 DC A 11 4.257 15.450 0.963 1.00 0.00 N ATOM 332 C5 DC A 11 6.649 15.294 1.018 1.00 0.00 C ATOM 333 C6 DC A 11 7.757 14.895 0.351 1.00 0.00 C ATOM 0 H5' DC A 11 11.482 12.200 1.152 1.00 0.00 H new ATOM 0 H5'' DC A 11 12.631 13.493 0.870 1.00 0.00 H new ATOM 0 H4' DC A 11 11.557 12.873 -1.156 1.00 0.00 H new ATOM 0 H3' DC A 11 11.038 15.691 -0.241 1.00 0.00 H new ATOM 0 H2' DC A 11 9.366 15.940 -1.932 1.00 0.00 H new ATOM 0 H2'' DC A 11 10.195 14.836 -3.011 1.00 0.00 H new ATOM 0 HO3' DC A 11 12.314 16.052 -2.033 1.00 0.00 H new ATOM 0 H1' DC A 11 8.685 13.245 -2.418 1.00 0.00 H new ATOM 0 H41 DC A 11 4.283 15.827 1.911 1.00 0.00 H new ATOM 0 H42 DC A 11 3.363 15.319 0.490 1.00 0.00 H new ATOM 0 H5 DC A 11 6.706 15.716 2.010 1.00 0.00 H new ATOM 0 H6 DC A 11 8.721 15.003 0.825 1.00 0.00 H new TER 346 DC A 11 ATOM 347 O5' DG B 12 -4.392 16.943 -6.402 1.00 0.00 O ATOM 348 C5' DG B 12 -4.448 15.537 -6.506 1.00 0.00 C ATOM 349 C4' DG B 12 -3.043 14.965 -6.716 1.00 0.00 C ATOM 350 O4' DG B 12 -2.275 15.253 -5.563 1.00 0.00 O ATOM 351 C3' DG B 12 -3.068 13.437 -6.860 1.00 0.00 C ATOM 352 O3' DG B 12 -2.660 13.102 -8.176 1.00 0.00 O ATOM 353 C2' DG B 12 -2.087 12.969 -5.783 1.00 0.00 C ATOM 354 C1' DG B 12 -1.311 14.229 -5.444 1.00 0.00 C ATOM 355 N9 DG B 12 -0.817 14.229 -4.049 1.00 0.00 N ATOM 356 C8 DG B 12 -1.549 14.292 -2.890 1.00 0.00 C ATOM 357 N7 DG B 12 -0.830 14.341 -1.805 1.00 0.00 N ATOM 358 C5 DG B 12 0.478 14.301 -2.272 1.00 0.00 C ATOM 359 C6 DG B 12 1.706 14.328 -1.547 1.00 0.00 C ATOM 360 O6 DG B 12 1.865 14.400 -0.332 1.00 0.00 O ATOM 361 N1 DG B 12 2.817 14.258 -2.382 1.00 0.00 N ATOM 362 C2 DG B 12 2.755 14.151 -3.759 1.00 0.00 C ATOM 363 N2 DG B 12 3.917 14.042 -4.411 1.00 0.00 N ATOM 364 N3 DG B 12 1.599 14.127 -4.444 1.00 0.00 N ATOM 365 C4 DG B 12 0.499 14.209 -3.644 1.00 0.00 C ATOM 0 H5' DG B 12 -5.092 15.252 -7.338 1.00 0.00 H new ATOM 0 H5'' DG B 12 -4.889 15.116 -5.602 1.00 0.00 H new ATOM 0 H4' DG B 12 -2.630 15.407 -7.623 1.00 0.00 H new ATOM 0 H3' DG B 12 -4.043 12.969 -6.725 1.00 0.00 H new ATOM 0 H2' DG B 12 -2.607 12.570 -4.912 1.00 0.00 H new ATOM 0 H2'' DG B 12 -1.431 12.180 -6.152 1.00 0.00 H new ATOM 0 HO5' DG B 12 -5.296 17.297 -6.270 1.00 0.00 H new ATOM 0 H1' DG B 12 -0.438 14.335 -6.088 1.00 0.00 H new ATOM 0 H8 DG B 12 -2.629 14.300 -2.878 1.00 0.00 H new ATOM 0 H1 DG B 12 3.740 14.288 -1.949 1.00 0.00 H new ATOM 0 H21 DG B 12 3.926 13.960 -5.428 1.00 0.00 H new ATOM 0 H22 DG B 12 4.795 14.041 -3.892 1.00 0.00 H new ATOM 378 P DG B 13 -2.600 11.578 -8.713 1.00 0.00 P ATOM 379 OP1 DG B 13 -2.684 11.609 -10.189 1.00 0.00 O ATOM 380 OP2 DG B 13 -3.567 10.768 -7.939 1.00 0.00 O ATOM 381 O5' DG B 13 -1.112 11.109 -8.304 1.00 0.00 O ATOM 382 C5' DG B 13 0.029 11.761 -8.825 1.00 0.00 C ATOM 383 C4' DG B 13 1.328 11.133 -8.306 1.00 0.00 C ATOM 384 O4' DG B 13 1.417 11.376 -6.910 1.00 0.00 O ATOM 385 C3' DG B 13 1.377 9.615 -8.506 1.00 0.00 C ATOM 386 O3' DG B 13 2.742 9.319 -8.760 1.00 0.00 O ATOM 387 C2' DG B 13 0.898 9.100 -7.147 1.00 0.00 C ATOM 388 C1' DG B 13 1.501 10.140 -6.221 1.00 0.00 C ATOM 389 N9 DG B 13 0.892 10.353 -4.890 1.00 0.00 N ATOM 390 C8 DG B 13 -0.414 10.280 -4.476 1.00 0.00 C ATOM 391 N7 DG B 13 -0.586 10.561 -3.212 1.00 0.00 N ATOM 392 C5 DG B 13 0.697 10.830 -2.746 1.00 0.00 C ATOM 393 C6 DG B 13 1.166 11.154 -1.434 1.00 0.00 C ATOM 394 O6 DG B 13 0.508 11.342 -0.415 1.00 0.00 O ATOM 395 N1 DG B 13 2.556 11.256 -1.375 1.00 0.00 N ATOM 396 C2 DG B 13 3.393 11.125 -2.467 1.00 0.00 C ATOM 397 N2 DG B 13 4.702 11.285 -2.266 1.00 0.00 N ATOM 398 N3 DG B 13 2.952 10.864 -3.703 1.00 0.00 N ATOM 399 C4 DG B 13 1.602 10.716 -3.773 1.00 0.00 C ATOM 0 H5' DG B 13 0.001 12.816 -8.553 1.00 0.00 H new ATOM 0 H5'' DG B 13 0.011 11.712 -9.914 1.00 0.00 H new ATOM 0 H4' DG B 13 2.149 11.580 -8.867 1.00 0.00 H new ATOM 0 H3' DG B 13 0.784 9.186 -9.314 1.00 0.00 H new ATOM 0 H2' DG B 13 -0.189 9.066 -7.078 1.00 0.00 H new ATOM 0 H2'' DG B 13 1.263 8.095 -6.934 1.00 0.00 H new ATOM 0 H1' DG B 13 2.498 9.761 -5.996 1.00 0.00 H new ATOM 0 H8 DG B 13 -1.227 10.014 -5.136 1.00 0.00 H new ATOM 0 H1 DG B 13 2.982 11.439 -0.467 1.00 0.00 H new ATOM 0 H21 DG B 13 5.352 11.196 -3.047 1.00 0.00 H new ATOM 0 H22 DG B 13 5.052 11.496 -1.332 1.00 0.00 H new ATOM 411 P DC B 14 3.315 7.837 -9.053 1.00 0.00 P ATOM 412 OP1 DC B 14 4.018 7.862 -10.355 1.00 0.00 O ATOM 413 OP2 DC B 14 2.254 6.836 -8.807 1.00 0.00 O ATOM 414 O5' DC B 14 4.416 7.715 -7.879 1.00 0.00 O ATOM 415 C5' DC B 14 5.561 8.551 -7.871 1.00 0.00 C ATOM 416 C4' DC B 14 6.436 8.305 -6.637 1.00 0.00 C ATOM 417 O4' DC B 14 5.680 8.660 -5.490 1.00 0.00 O ATOM 418 C3' DC B 14 6.838 6.832 -6.499 1.00 0.00 C ATOM 419 O3' DC B 14 8.213 6.794 -6.157 1.00 0.00 O ATOM 420 C2' DC B 14 5.926 6.357 -5.369 1.00 0.00 C ATOM 421 C1' DC B 14 5.802 7.627 -4.530 1.00 0.00 C ATOM 422 N1 DC B 14 4.565 7.662 -3.696 1.00 0.00 N ATOM 423 C2 DC B 14 4.672 7.843 -2.311 1.00 0.00 C ATOM 424 O2 DC B 14 5.764 7.924 -1.757 1.00 0.00 O ATOM 425 N3 DC B 14 3.528 7.931 -1.569 1.00 0.00 N ATOM 426 C4 DC B 14 2.322 7.851 -2.149 1.00 0.00 C ATOM 427 N4 DC B 14 1.223 7.958 -1.397 1.00 0.00 N ATOM 428 C5 DC B 14 2.191 7.703 -3.567 1.00 0.00 C ATOM 429 C6 DC B 14 3.327 7.621 -4.294 1.00 0.00 C ATOM 0 H5' DC B 14 5.249 9.595 -7.893 1.00 0.00 H new ATOM 0 H5'' DC B 14 6.147 8.374 -8.773 1.00 0.00 H new ATOM 0 H4' DC B 14 7.344 8.899 -6.738 1.00 0.00 H new ATOM 0 H3' DC B 14 6.727 6.211 -7.388 1.00 0.00 H new ATOM 0 H2' DC B 14 4.960 6.012 -5.738 1.00 0.00 H new ATOM 0 H2'' DC B 14 6.365 5.533 -4.806 1.00 0.00 H new ATOM 0 H1' DC B 14 6.650 7.707 -3.850 1.00 0.00 H new ATOM 0 H41 DC B 14 0.301 7.898 -1.830 1.00 0.00 H new ATOM 0 H42 DC B 14 1.306 8.099 -0.390 1.00 0.00 H new ATOM 0 H5 DC B 14 1.220 7.659 -4.038 1.00 0.00 H new ATOM 0 H6 DC B 14 3.262 7.521 -5.367 1.00 0.00 H new ATOM 441 P DT B 15 9.031 5.412 -5.983 1.00 0.00 P ATOM 442 OP1 DT B 15 10.471 5.704 -6.160 1.00 0.00 O ATOM 443 OP2 DT B 15 8.383 4.372 -6.812 1.00 0.00 O ATOM 444 O5' DT B 15 8.773 5.055 -4.434 1.00 0.00 O ATOM 445 C5' DT B 15 9.348 5.825 -3.396 1.00 0.00 C ATOM 446 C4' DT B 15 8.911 5.297 -2.025 1.00 0.00 C ATOM 447 O4' DT B 15 7.539 5.570 -1.888 1.00 0.00 O ATOM 448 C3' DT B 15 9.064 3.780 -1.849 1.00 0.00 C ATOM 449 O3' DT B 15 10.211 3.545 -1.043 1.00 0.00 O ATOM 450 C2' DT B 15 7.749 3.352 -1.202 1.00 0.00 C ATOM 451 C1' DT B 15 7.035 4.667 -0.932 1.00 0.00 C ATOM 452 N1 DT B 15 5.590 4.574 -1.221 1.00 0.00 N ATOM 453 C2 DT B 15 4.690 4.999 -0.254 1.00 0.00 C ATOM 454 O2 DT B 15 5.029 5.359 0.870 1.00 0.00 O ATOM 455 N3 DT B 15 3.359 4.994 -0.628 1.00 0.00 N ATOM 456 C4 DT B 15 2.853 4.603 -1.855 1.00 0.00 C ATOM 457 O4 DT B 15 1.641 4.664 -2.053 1.00 0.00 O ATOM 458 C5 DT B 15 3.859 4.149 -2.802 1.00 0.00 C ATOM 459 C7 DT B 15 3.431 3.688 -4.180 1.00 0.00 C ATOM 460 C6 DT B 15 5.174 4.147 -2.457 1.00 0.00 C ATOM 0 H5' DT B 15 9.049 6.868 -3.502 1.00 0.00 H new ATOM 0 H5'' DT B 15 10.435 5.795 -3.473 1.00 0.00 H new ATOM 0 H4' DT B 15 9.550 5.783 -1.288 1.00 0.00 H new ATOM 0 H3' DT B 15 9.225 3.212 -2.765 1.00 0.00 H new ATOM 0 H2' DT B 15 7.168 2.709 -1.863 1.00 0.00 H new ATOM 0 H2'' DT B 15 7.919 2.792 -0.282 1.00 0.00 H new ATOM 0 H1' DT B 15 7.185 4.951 0.110 1.00 0.00 H new ATOM 0 H3 DT B 15 2.684 5.309 0.069 1.00 0.00 H new ATOM 0 H71 DT B 15 4.228 3.891 -4.895 1.00 0.00 H new ATOM 0 H72 DT B 15 3.227 2.618 -4.158 1.00 0.00 H new ATOM 0 H73 DT B 15 2.530 4.223 -4.479 1.00 0.00 H new ATOM 0 H6 DT B 15 5.907 3.802 -3.171 1.00 0.00 H new ATOM 473 P DA B 16 10.678 2.073 -0.562 1.00 0.00 P ATOM 474 OP1 DA B 16 12.079 2.166 -0.095 1.00 0.00 O ATOM 475 OP2 DA B 16 10.320 1.103 -1.621 1.00 0.00 O ATOM 476 O5' DA B 16 9.741 1.784 0.721 1.00 0.00 O ATOM 477 C5' DA B 16 9.892 2.485 1.945 1.00 0.00 C ATOM 478 C4' DA B 16 8.716 2.203 2.900 1.00 0.00 C ATOM 479 O4' DA B 16 7.523 2.668 2.315 1.00 0.00 O ATOM 480 C3' DA B 16 8.451 0.735 3.175 1.00 0.00 C ATOM 481 O3' DA B 16 9.010 0.289 4.402 1.00 0.00 O ATOM 482 C2' DA B 16 6.985 0.471 2.951 1.00 0.00 C ATOM 483 C1' DA B 16 6.503 1.882 2.893 1.00 0.00 C ATOM 484 N9 DA B 16 5.302 1.980 2.059 1.00 0.00 N ATOM 485 C8 DA B 16 5.273 1.668 0.740 1.00 0.00 C ATOM 486 N7 DA B 16 4.116 1.854 0.166 1.00 0.00 N ATOM 487 C5 DA B 16 3.299 2.258 1.224 1.00 0.00 C ATOM 488 C6 DA B 16 1.927 2.583 1.317 1.00 0.00 C ATOM 489 N6 DA B 16 1.129 2.702 0.249 1.00 0.00 N ATOM 490 N1 DA B 16 1.398 2.780 2.540 1.00 0.00 N ATOM 491 C2 DA B 16 2.192 2.708 3.609 1.00 0.00 C ATOM 492 N3 DA B 16 3.503 2.480 3.650 1.00 0.00 N ATOM 493 C4 DA B 16 4.004 2.260 2.405 1.00 0.00 C ATOM 0 H5' DA B 16 9.955 3.555 1.748 1.00 0.00 H new ATOM 0 H5'' DA B 16 10.828 2.193 2.421 1.00 0.00 H new ATOM 0 H4' DA B 16 8.998 2.698 3.830 1.00 0.00 H new ATOM 0 H3' DA B 16 8.987 0.102 2.468 1.00 0.00 H new ATOM 0 H2' DA B 16 6.792 -0.079 2.030 1.00 0.00 H new ATOM 0 H2'' DA B 16 6.530 -0.097 3.763 1.00 0.00 H new ATOM 0 H1' DA B 16 6.261 2.226 3.898 1.00 0.00 H new ATOM 0 H8 DA B 16 6.136 1.296 0.208 1.00 0.00 H new ATOM 0 H61 DA B 16 0.144 2.939 0.372 1.00 0.00 H new ATOM 0 H62 DA B 16 1.505 2.556 -0.688 1.00 0.00 H new ATOM 0 H2 DA B 16 1.710 2.853 4.564 1.00 0.00 H new HETATM 505 N1 T41 B 17 3.310 -0.962 4.154 1.00 0.00 N HETATM 506 C2 T41 B 17 2.005 -0.560 3.876 1.00 0.00 C HETATM 507 N3 T41 B 17 1.640 -0.550 2.538 1.00 0.00 N HETATM 508 C4 T41 B 17 2.440 -0.902 1.463 1.00 0.00 C HETATM 509 C5 T41 B 17 3.770 -1.331 1.841 1.00 0.00 C HETATM 510 C5M T41 B 17 4.751 -1.793 0.792 1.00 0.00 C HETATM 511 C6 T41 B 17 4.148 -1.342 3.137 1.00 0.00 C HETATM 512 O2 T41 B 17 1.198 -0.228 4.740 1.00 0.00 O HETATM 513 O4 T41 B 17 2.004 -0.832 0.317 1.00 0.00 O HETATM 514 C1' T41 B 17 3.774 -0.935 5.566 1.00 0.00 C HETATM 515 C2' T41 B 17 4.248 -2.217 6.174 1.00 0.00 C HETATM 516 O2' T41 B 17 5.115 -2.930 5.342 1.00 0.00 O HETATM 517 C3' T41 B 17 5.032 -1.747 7.390 1.00 0.00 C HETATM 518 C4' T41 B 17 5.526 -0.364 6.937 1.00 0.00 C HETATM 519 O3' T41 B 17 4.224 -1.555 8.542 1.00 0.00 O HETATM 520 O4' T41 B 17 4.826 -0.010 5.751 1.00 0.00 O HETATM 521 C5' T41 B 17 7.027 -0.317 6.624 1.00 0.00 C HETATM 522 O5' T41 B 17 7.389 -1.246 5.620 1.00 0.00 O HETATM 523 C6' T41 B 17 4.714 -4.256 5.403 1.00 0.00 C HETATM 524 P T41 B 17 8.859 -1.229 4.950 1.00 0.00 P HETATM 525 O1P T41 B 17 9.853 -1.426 6.028 1.00 0.00 O HETATM 526 O2P T41 B 17 8.844 -2.146 3.788 1.00 0.00 O HETATM 0 H5M3 T41 B 17 4.341 -2.655 0.265 1.00 0.00 H new HETATM 0 H5M2 T41 B 17 4.932 -0.986 0.082 1.00 0.00 H new HETATM 0 H5M1 T41 B 17 5.690 -2.073 1.270 1.00 0.00 H new HETATM 0 H5'2 T41 B 17 7.299 0.688 6.302 1.00 0.00 H new HETATM 0 H5'1 T41 B 17 7.593 -0.525 7.532 1.00 0.00 H new HETATM 0 H2'1 T41 B 17 3.413 -2.886 6.381 1.00 0.00 H new HETATM 0 H6 T41 B 17 5.159 -1.666 3.385 1.00 0.00 H new HETATM 0 H4' T41 B 17 5.343 0.324 7.762 1.00 0.00 H new HETATM 0 H3' T41 B 17 5.794 -2.473 7.673 1.00 0.00 H new HETATM 0 H3 T41 B 17 0.688 -0.254 2.324 1.00 0.00 H new HETATM 0 H13 T41 B 17 4.782 -4.610 6.432 1.00 0.00 H new HETATM 0 H12 T41 B 17 3.684 -4.341 5.057 1.00 0.00 H new HETATM 0 H11 T41 B 17 5.361 -4.861 4.768 1.00 0.00 H new HETATM 0 H1' T41 B 17 2.849 -0.663 6.075 1.00 0.00 H new ATOM 541 P DA B 18 3.564 -2.772 9.374 1.00 0.00 P ATOM 542 OP1 DA B 18 3.505 -2.372 10.798 1.00 0.00 O ATOM 543 OP2 DA B 18 4.246 -4.029 8.997 1.00 0.00 O ATOM 544 O5' DA B 18 2.054 -2.831 8.805 1.00 0.00 O ATOM 545 C5' DA B 18 1.068 -1.891 9.202 1.00 0.00 C ATOM 546 C4' DA B 18 -0.280 -2.264 8.576 1.00 0.00 C ATOM 547 O4' DA B 18 -0.147 -2.154 7.180 1.00 0.00 O ATOM 548 C3' DA B 18 -0.693 -3.707 8.901 1.00 0.00 C ATOM 549 O3' DA B 18 -1.917 -3.661 9.616 1.00 0.00 O ATOM 550 C2' DA B 18 -0.817 -4.319 7.507 1.00 0.00 C ATOM 551 C1' DA B 18 -1.011 -3.112 6.625 1.00 0.00 C ATOM 552 N9 DA B 18 -0.552 -3.307 5.235 1.00 0.00 N ATOM 553 C8 DA B 18 0.728 -3.595 4.832 1.00 0.00 C ATOM 554 N7 DA B 18 0.906 -3.578 3.544 1.00 0.00 N ATOM 555 C5 DA B 18 -0.349 -3.246 3.053 1.00 0.00 C ATOM 556 C6 DA B 18 -0.825 -3.020 1.749 1.00 0.00 C ATOM 557 N6 DA B 18 -0.057 -3.055 0.655 1.00 0.00 N ATOM 558 N1 DA B 18 -2.112 -2.686 1.601 1.00 0.00 N ATOM 559 C2 DA B 18 -2.912 -2.575 2.653 1.00 0.00 C ATOM 560 N3 DA B 18 -2.581 -2.753 3.935 1.00 0.00 N ATOM 561 C4 DA B 18 -1.262 -3.093 4.071 1.00 0.00 C ATOM 0 H5' DA B 18 1.360 -0.888 8.890 1.00 0.00 H new ATOM 0 H5'' DA B 18 0.984 -1.874 10.289 1.00 0.00 H new ATOM 0 H4' DA B 18 -1.042 -1.596 8.978 1.00 0.00 H new ATOM 0 H3' DA B 18 -0.012 -4.284 9.527 1.00 0.00 H new ATOM 0 H2' DA B 18 0.075 -4.881 7.232 1.00 0.00 H new ATOM 0 H2'' DA B 18 -1.660 -5.007 7.441 1.00 0.00 H new ATOM 0 H1' DA B 18 -2.071 -2.860 6.586 1.00 0.00 H new ATOM 0 H8 DA B 18 1.523 -3.818 5.528 1.00 0.00 H new ATOM 0 H61 DA B 18 -0.468 -2.881 -0.262 1.00 0.00 H new ATOM 0 H62 DA B 18 0.940 -3.255 0.738 1.00 0.00 H new ATOM 0 H2 DA B 18 -3.940 -2.313 2.452 1.00 0.00 H new ATOM 573 P DT B 19 -2.748 -4.986 10.024 1.00 0.00 P ATOM 574 OP1 DT B 19 -3.549 -4.678 11.230 1.00 0.00 O ATOM 575 OP2 DT B 19 -1.828 -6.145 10.025 1.00 0.00 O ATOM 576 O5' DT B 19 -3.755 -5.139 8.774 1.00 0.00 O ATOM 577 C5' DT B 19 -4.717 -4.142 8.485 1.00 0.00 C ATOM 578 C4' DT B 19 -5.537 -4.516 7.246 1.00 0.00 C ATOM 579 O4' DT B 19 -4.665 -4.447 6.130 1.00 0.00 O ATOM 580 C3' DT B 19 -6.097 -5.946 7.323 1.00 0.00 C ATOM 581 O3' DT B 19 -7.489 -5.912 7.047 1.00 0.00 O ATOM 582 C2' DT B 19 -5.311 -6.672 6.232 1.00 0.00 C ATOM 583 C1' DT B 19 -4.965 -5.541 5.293 1.00 0.00 C ATOM 584 N1 DT B 19 -3.850 -5.800 4.362 1.00 0.00 N ATOM 585 C2 DT B 19 -4.011 -5.670 2.986 1.00 0.00 C ATOM 586 O2 DT B 19 -5.075 -5.368 2.450 1.00 0.00 O ATOM 587 N3 DT B 19 -2.873 -5.907 2.227 1.00 0.00 N ATOM 588 C4 DT B 19 -1.623 -6.268 2.710 1.00 0.00 C ATOM 589 O4 DT B 19 -0.686 -6.429 1.931 1.00 0.00 O ATOM 590 C5 DT B 19 -1.563 -6.420 4.153 1.00 0.00 C ATOM 591 C7 DT B 19 -0.276 -6.878 4.809 1.00 0.00 C ATOM 592 C6 DT B 19 -2.665 -6.170 4.902 1.00 0.00 C ATOM 0 H5' DT B 19 -4.218 -3.187 8.321 1.00 0.00 H new ATOM 0 H5'' DT B 19 -5.381 -4.013 9.340 1.00 0.00 H new ATOM 0 H4' DT B 19 -6.382 -3.831 7.169 1.00 0.00 H new ATOM 0 H3' DT B 19 -5.994 -6.431 8.294 1.00 0.00 H new ATOM 0 H2' DT B 19 -4.421 -7.162 6.627 1.00 0.00 H new ATOM 0 H2'' DT B 19 -5.908 -7.442 5.742 1.00 0.00 H new ATOM 0 H1' DT B 19 -5.810 -5.371 4.625 1.00 0.00 H new ATOM 0 H3 DT B 19 -2.964 -5.806 1.216 1.00 0.00 H new ATOM 0 H71 DT B 19 -0.206 -6.452 5.810 1.00 0.00 H new ATOM 0 H72 DT B 19 -0.269 -7.966 4.876 1.00 0.00 H new ATOM 0 H73 DT B 19 0.574 -6.546 4.213 1.00 0.00 H new ATOM 0 H6 DT B 19 -2.595 -6.270 5.975 1.00 0.00 H new ATOM 605 P DG B 20 -8.408 -7.245 7.055 1.00 0.00 P ATOM 606 OP1 DG B 20 -9.768 -6.861 7.493 1.00 0.00 O ATOM 607 OP2 DG B 20 -7.682 -8.317 7.772 1.00 0.00 O ATOM 608 O5' DG B 20 -8.475 -7.648 5.492 1.00 0.00 O ATOM 609 C5' DG B 20 -9.205 -6.868 4.564 1.00 0.00 C ATOM 610 C4' DG B 20 -9.244 -7.521 3.177 1.00 0.00 C ATOM 611 O4' DG B 20 -7.952 -7.457 2.596 1.00 0.00 O ATOM 612 C3' DG B 20 -9.639 -9.003 3.233 1.00 0.00 C ATOM 613 O3' DG B 20 -10.564 -9.195 2.173 1.00 0.00 O ATOM 614 C2' DG B 20 -8.293 -9.699 3.029 1.00 0.00 C ATOM 615 C1' DG B 20 -7.646 -8.729 2.055 1.00 0.00 C ATOM 616 N9 DG B 20 -6.176 -8.808 1.957 1.00 0.00 N ATOM 617 C8 DG B 20 -5.273 -8.997 2.963 1.00 0.00 C ATOM 618 N7 DG B 20 -4.027 -8.963 2.581 1.00 0.00 N ATOM 619 C5 DG B 20 -4.110 -8.754 1.207 1.00 0.00 C ATOM 620 C6 DG B 20 -3.079 -8.680 0.221 1.00 0.00 C ATOM 621 O6 DG B 20 -1.865 -8.678 0.399 1.00 0.00 O ATOM 622 N1 DG B 20 -3.582 -8.604 -1.076 1.00 0.00 N ATOM 623 C2 DG B 20 -4.929 -8.559 -1.386 1.00 0.00 C ATOM 624 N2 DG B 20 -5.265 -8.509 -2.677 1.00 0.00 N ATOM 625 N3 DG B 20 -5.898 -8.574 -0.458 1.00 0.00 N ATOM 626 C4 DG B 20 -5.425 -8.681 0.813 1.00 0.00 C ATOM 0 H5' DG B 20 -8.755 -5.878 4.487 1.00 0.00 H new ATOM 0 H5'' DG B 20 -10.223 -6.728 4.928 1.00 0.00 H new ATOM 0 H4' DG B 20 -9.989 -6.979 2.595 1.00 0.00 H new ATOM 0 H3' DG B 20 -10.119 -9.374 4.138 1.00 0.00 H new ATOM 0 H2' DG B 20 -7.729 -9.798 3.957 1.00 0.00 H new ATOM 0 H2'' DG B 20 -8.400 -10.701 2.612 1.00 0.00 H new ATOM 0 H1' DG B 20 -8.017 -8.945 1.053 1.00 0.00 H new ATOM 0 H8 DG B 20 -5.566 -9.161 3.989 1.00 0.00 H new ATOM 0 H1 DG B 20 -2.914 -8.580 -1.846 1.00 0.00 H new ATOM 0 H21 DG B 20 -6.248 -8.475 -2.947 1.00 0.00 H new ATOM 0 H22 DG B 20 -4.539 -8.505 -3.393 1.00 0.00 H new ATOM 638 P DC B 21 -11.142 -10.633 1.719 1.00 0.00 P ATOM 639 OP1 DC B 21 -12.582 -10.476 1.416 1.00 0.00 O ATOM 640 OP2 DC B 21 -10.701 -11.669 2.679 1.00 0.00 O ATOM 641 O5' DC B 21 -10.352 -10.846 0.327 1.00 0.00 O ATOM 642 C5' DC B 21 -10.508 -9.924 -0.739 1.00 0.00 C ATOM 643 C4' DC B 21 -9.802 -10.391 -2.017 1.00 0.00 C ATOM 644 O4' DC B 21 -8.408 -10.319 -1.776 1.00 0.00 O ATOM 645 C3' DC B 21 -10.147 -11.842 -2.376 1.00 0.00 C ATOM 646 O3' DC B 21 -10.329 -11.923 -3.781 1.00 0.00 O ATOM 647 C2' DC B 21 -8.901 -12.585 -1.900 1.00 0.00 C ATOM 648 C1' DC B 21 -7.815 -11.544 -2.161 1.00 0.00 C ATOM 649 N1 DC B 21 -6.624 -11.729 -1.290 1.00 0.00 N ATOM 650 C2 DC B 21 -5.350 -11.771 -1.863 1.00 0.00 C ATOM 651 O2 DC B 21 -5.192 -11.740 -3.080 1.00 0.00 O ATOM 652 N3 DC B 21 -4.267 -11.846 -1.037 1.00 0.00 N ATOM 653 C4 DC B 21 -4.412 -11.888 0.295 1.00 0.00 C ATOM 654 N4 DC B 21 -3.318 -11.934 1.061 1.00 0.00 N ATOM 655 C5 DC B 21 -5.709 -11.814 0.904 1.00 0.00 C ATOM 656 C6 DC B 21 -6.773 -11.735 0.075 1.00 0.00 C ATOM 0 H5' DC B 21 -10.110 -8.954 -0.440 1.00 0.00 H new ATOM 0 H5'' DC B 21 -11.569 -9.783 -0.943 1.00 0.00 H new ATOM 0 H4' DC B 21 -10.123 -9.757 -2.844 1.00 0.00 H new ATOM 0 H3' DC B 21 -11.058 -12.243 -1.932 1.00 0.00 H new ATOM 0 H2' DC B 21 -8.963 -12.859 -0.847 1.00 0.00 H new ATOM 0 H2'' DC B 21 -8.732 -13.505 -2.460 1.00 0.00 H new ATOM 0 H1' DC B 21 -7.483 -11.604 -3.197 1.00 0.00 H new ATOM 0 H41 DC B 21 -3.407 -11.966 2.077 1.00 0.00 H new ATOM 0 H42 DC B 21 -2.394 -11.937 0.630 1.00 0.00 H new ATOM 0 H5 DC B 21 -5.829 -11.821 1.977 1.00 0.00 H new ATOM 0 H6 DC B 21 -7.766 -11.675 0.497 1.00 0.00 H new ATOM 668 P DG B 22 -10.706 -13.303 -4.533 1.00 0.00 P ATOM 669 OP1 DG B 22 -11.485 -12.971 -5.747 1.00 0.00 O ATOM 670 OP2 DG B 22 -11.260 -14.252 -3.541 1.00 0.00 O ATOM 671 O5' DG B 22 -9.262 -13.849 -4.997 1.00 0.00 O ATOM 672 C5' DG B 22 -8.550 -13.228 -6.050 1.00 0.00 C ATOM 673 C4' DG B 22 -7.198 -13.912 -6.265 1.00 0.00 C ATOM 674 O4' DG B 22 -6.427 -13.732 -5.091 1.00 0.00 O ATOM 675 C3' DG B 22 -7.324 -15.427 -6.488 1.00 0.00 C ATOM 676 O3' DG B 22 -6.721 -15.789 -7.713 1.00 0.00 O ATOM 677 C2' DG B 22 -6.537 -16.022 -5.328 1.00 0.00 C ATOM 678 C1' DG B 22 -5.613 -14.876 -4.966 1.00 0.00 C ATOM 679 N9 DG B 22 -5.081 -14.933 -3.586 1.00 0.00 N ATOM 680 C8 DG B 22 -5.759 -15.055 -2.399 1.00 0.00 C ATOM 681 N7 DG B 22 -4.997 -15.002 -1.342 1.00 0.00 N ATOM 682 C5 DG B 22 -3.717 -14.836 -1.860 1.00 0.00 C ATOM 683 C6 DG B 22 -2.464 -14.679 -1.192 1.00 0.00 C ATOM 684 O6 DG B 22 -2.248 -14.649 0.016 1.00 0.00 O ATOM 685 N1 DG B 22 -1.399 -14.548 -2.081 1.00 0.00 N ATOM 686 C2 DG B 22 -1.525 -14.564 -3.457 1.00 0.00 C ATOM 687 N2 DG B 22 -0.411 -14.419 -4.180 1.00 0.00 N ATOM 688 N3 DG B 22 -2.705 -14.682 -4.086 1.00 0.00 N ATOM 689 C4 DG B 22 -3.758 -14.810 -3.234 1.00 0.00 C ATOM 0 H5' DG B 22 -8.397 -12.173 -5.820 1.00 0.00 H new ATOM 0 H5'' DG B 22 -9.136 -13.273 -6.968 1.00 0.00 H new ATOM 0 H4' DG B 22 -6.745 -13.469 -7.152 1.00 0.00 H new ATOM 0 H3' DG B 22 -8.358 -15.769 -6.528 1.00 0.00 H new ATOM 0 H2' DG B 22 -7.183 -16.305 -4.497 1.00 0.00 H new ATOM 0 H2'' DG B 22 -5.986 -16.915 -5.622 1.00 0.00 H new ATOM 0 HO3' DG B 22 -6.805 -16.756 -7.846 1.00 0.00 H new ATOM 0 H1' DG B 22 -4.733 -14.894 -5.609 1.00 0.00 H new ATOM 0 H8 DG B 22 -6.830 -15.184 -2.345 1.00 0.00 H new ATOM 0 H1 DG B 22 -0.464 -14.433 -1.690 1.00 0.00 H new ATOM 0 H21 DG B 22 -0.460 -14.425 -5.199 1.00 0.00 H new ATOM 0 H22 DG B 22 0.488 -14.302 -3.713 1.00 0.00 H new TER 702 DG B 22