USER MOD reduce.3.24.130724 H: found=0, std=0, add=282, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 286 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= -0.074 USER MOD Single : A 3 DT C7 :methyl -30:sc= -0.0932 (180deg=-0.666) USER MOD Single : A 5 DT C7 :methyl 150:sc= -1.51 (180deg=-1.51) USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl -30:sc= 0 (180deg=-1.16) USER MOD Single : A 12 DC O3' : rot 180:sc= 0 USER MOD Single : B 13 DG O5' : rot 26:sc= 0.254 USER MOD Single : B 24 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -8.844 -18.455 1.371 1.00 0.00 O ATOM 2 C5' DC A 1 -9.166 -19.630 2.123 1.00 0.00 C ATOM 3 C4' DC A 1 -7.986 -20.092 2.946 1.00 0.00 C ATOM 4 O4' DC A 1 -7.002 -20.686 2.065 1.00 0.00 O ATOM 5 C3' DC A 1 -7.256 -18.983 3.703 1.00 0.00 C ATOM 6 O3' DC A 1 -6.771 -19.471 4.957 1.00 0.00 O ATOM 7 C2' DC A 1 -6.101 -18.630 2.783 1.00 0.00 C ATOM 8 C1' DC A 1 -5.788 -19.951 2.103 1.00 0.00 C ATOM 9 N1 DC A 1 -5.298 -19.823 0.721 1.00 0.00 N ATOM 10 C2 DC A 1 -4.088 -20.433 0.372 1.00 0.00 C ATOM 11 O2 DC A 1 -3.457 -21.059 1.237 1.00 0.00 O ATOM 12 N3 DC A 1 -3.637 -20.326 -0.898 1.00 0.00 N ATOM 13 C4 DC A 1 -4.342 -19.638 -1.799 1.00 0.00 C ATOM 14 N4 DC A 1 -3.859 -19.555 -3.039 1.00 0.00 N ATOM 15 C5 DC A 1 -5.575 -19.005 -1.470 1.00 0.00 C ATOM 16 C6 DC A 1 -6.011 -19.122 -0.210 1.00 0.00 C ATOM 0 H5' DC A 1 -9.474 -20.426 1.445 1.00 0.00 H new ATOM 0 H5'' DC A 1 -10.012 -19.425 2.779 1.00 0.00 H new ATOM 0 H4' DC A 1 -8.404 -20.783 3.678 1.00 0.00 H new ATOM 0 H3' DC A 1 -7.893 -18.129 3.933 1.00 0.00 H new ATOM 0 H2' DC A 1 -6.380 -17.861 2.062 1.00 0.00 H new ATOM 0 H2'' DC A 1 -5.244 -18.250 3.339 1.00 0.00 H new ATOM 0 HO5' DC A 1 -9.624 -18.178 0.846 1.00 0.00 H new ATOM 0 H1' DC A 1 -4.991 -20.432 2.670 1.00 0.00 H new ATOM 0 H41 DC A 1 -4.372 -19.037 -3.753 1.00 0.00 H new ATOM 0 H42 DC A 1 -2.977 -20.009 -3.274 1.00 0.00 H new ATOM 0 H5 DC A 1 -6.136 -18.452 -2.209 1.00 0.00 H new ATOM 0 H6 DC A 1 -6.942 -18.655 0.075 1.00 0.00 H new ATOM 29 P DC A 2 -6.934 -18.574 6.279 1.00 0.00 P ATOM 30 OP1 DC A 2 -6.681 -19.446 7.455 1.00 0.00 O ATOM 31 OP2 DC A 2 -8.222 -17.841 6.176 1.00 0.00 O ATOM 32 O5' DC A 2 -5.751 -17.510 6.175 1.00 0.00 O ATOM 33 C5' DC A 2 -4.755 -17.418 7.195 1.00 0.00 C ATOM 34 C4' DC A 2 -3.532 -16.700 6.672 1.00 0.00 C ATOM 35 O4' DC A 2 -3.171 -17.231 5.380 1.00 0.00 O ATOM 36 C3' DC A 2 -3.701 -15.205 6.430 1.00 0.00 C ATOM 37 O3' DC A 2 -3.460 -14.461 7.629 1.00 0.00 O ATOM 38 C2' DC A 2 -2.627 -14.915 5.398 1.00 0.00 C ATOM 39 C1' DC A 2 -2.481 -16.231 4.636 1.00 0.00 C ATOM 40 N1 DC A 2 -3.044 -16.203 3.277 1.00 0.00 N ATOM 41 C2 DC A 2 -2.199 -16.459 2.196 1.00 0.00 C ATOM 42 O2 DC A 2 -1.004 -16.708 2.414 1.00 0.00 O ATOM 43 N3 DC A 2 -2.701 -16.430 0.941 1.00 0.00 N ATOM 44 C4 DC A 2 -3.991 -16.153 0.746 1.00 0.00 C ATOM 45 N4 DC A 2 -4.440 -16.132 -0.508 1.00 0.00 N ATOM 46 C5 DC A 2 -4.877 -15.886 1.829 1.00 0.00 C ATOM 47 C6 DC A 2 -4.367 -15.926 3.067 1.00 0.00 C ATOM 0 H5' DC A 2 -4.481 -18.416 7.536 1.00 0.00 H new ATOM 0 H5'' DC A 2 -5.156 -16.886 8.057 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.790 -16.853 7.456 1.00 0.00 H new ATOM 0 H3' DC A 2 -4.705 -14.930 6.108 1.00 0.00 H new ATOM 0 H2' DC A 2 -2.920 -14.101 4.735 1.00 0.00 H new ATOM 0 H2'' DC A 2 -1.689 -14.621 5.870 1.00 0.00 H new ATOM 0 H1' DC A 2 -1.415 -16.429 4.528 1.00 0.00 H new ATOM 0 H41 DC A 2 -5.421 -15.924 -0.695 1.00 0.00 H new ATOM 0 H42 DC A 2 -3.803 -16.324 -1.281 1.00 0.00 H new ATOM 0 H5 DC A 2 -5.919 -15.660 1.659 1.00 0.00 H new ATOM 0 H6 DC A 2 -5.011 -15.736 3.913 1.00 0.00 H new ATOM 59 P DT A 3 -3.395 -12.855 7.571 1.00 0.00 P ATOM 60 OP1 DT A 3 -3.542 -12.331 8.952 1.00 0.00 O ATOM 61 OP2 DT A 3 -4.333 -12.404 6.511 1.00 0.00 O ATOM 62 O5' DT A 3 -1.913 -12.543 7.073 1.00 0.00 O ATOM 63 C5' DT A 3 -0.776 -13.047 7.776 1.00 0.00 C ATOM 64 C4' DT A 3 0.455 -12.966 6.903 1.00 0.00 C ATOM 65 O4' DT A 3 0.216 -13.702 5.684 1.00 0.00 O ATOM 66 C3' DT A 3 0.825 -11.560 6.444 1.00 0.00 C ATOM 67 O3' DT A 3 1.705 -10.940 7.390 1.00 0.00 O ATOM 68 C2' DT A 3 1.542 -11.806 5.128 1.00 0.00 C ATOM 69 C1' DT A 3 0.940 -13.112 4.611 1.00 0.00 C ATOM 70 N1 DT A 3 0.016 -12.946 3.469 1.00 0.00 N ATOM 71 C2 DT A 3 0.521 -13.122 2.202 1.00 0.00 C ATOM 72 O2 DT A 3 1.688 -13.400 1.984 1.00 0.00 O ATOM 73 N3 DT A 3 -0.391 -12.958 1.194 1.00 0.00 N ATOM 74 C4 DT A 3 -1.726 -12.641 1.322 1.00 0.00 C ATOM 75 O4 DT A 3 -2.425 -12.529 0.319 1.00 0.00 O ATOM 76 C5 DT A 3 -2.192 -12.469 2.678 1.00 0.00 C ATOM 77 C7 DT A 3 -3.629 -12.127 2.913 1.00 0.00 C ATOM 78 C6 DT A 3 -1.311 -12.625 3.675 1.00 0.00 C ATOM 0 H5' DT A 3 -0.952 -14.081 8.074 1.00 0.00 H new ATOM 0 H5'' DT A 3 -0.621 -12.474 8.690 1.00 0.00 H new ATOM 0 H4' DT A 3 1.261 -13.358 7.523 1.00 0.00 H new ATOM 0 H3' DT A 3 -0.034 -10.896 6.348 1.00 0.00 H new ATOM 0 H2' DT A 3 1.379 -10.987 4.427 1.00 0.00 H new ATOM 0 H2'' DT A 3 2.619 -11.893 5.272 1.00 0.00 H new ATOM 0 H1' DT A 3 1.765 -13.728 4.254 1.00 0.00 H new ATOM 0 H3 DT A 3 -0.044 -13.084 0.243 1.00 0.00 H new ATOM 0 H71 DT A 3 -4.009 -11.552 2.068 1.00 0.00 H new ATOM 0 H72 DT A 3 -4.209 -13.044 3.018 1.00 0.00 H new ATOM 0 H73 DT A 3 -3.718 -11.535 3.824 1.00 0.00 H new ATOM 0 H6 DT A 3 -1.656 -12.493 4.690 1.00 0.00 H new ATOM 91 P DC A 4 1.714 -9.339 7.543 1.00 0.00 P ATOM 92 OP1 DC A 4 2.490 -9.014 8.766 1.00 0.00 O ATOM 93 OP2 DC A 4 0.319 -8.846 7.406 1.00 0.00 O ATOM 94 O5' DC A 4 2.540 -8.833 6.275 1.00 0.00 O ATOM 95 C5' DC A 4 3.968 -8.884 6.255 1.00 0.00 C ATOM 96 C4' DC A 4 4.499 -8.182 5.026 1.00 0.00 C ATOM 97 O4' DC A 4 3.824 -8.713 3.858 1.00 0.00 O ATOM 98 C3' DC A 4 4.266 -6.671 4.995 1.00 0.00 C ATOM 99 O3' DC A 4 5.377 -6.003 4.386 1.00 0.00 O ATOM 100 C2' DC A 4 3.023 -6.522 4.138 1.00 0.00 C ATOM 101 C1' DC A 4 3.161 -7.673 3.160 1.00 0.00 C ATOM 102 N1 DC A 4 1.881 -8.203 2.663 1.00 0.00 N ATOM 103 C2 DC A 4 1.681 -8.303 1.283 1.00 0.00 C ATOM 104 O2 DC A 4 2.587 -7.945 0.514 1.00 0.00 O ATOM 105 N3 DC A 4 0.506 -8.786 0.820 1.00 0.00 N ATOM 106 C4 DC A 4 -0.447 -9.157 1.677 1.00 0.00 C ATOM 107 N4 DC A 4 -1.592 -9.620 1.176 1.00 0.00 N ATOM 108 C5 DC A 4 -0.270 -9.068 3.088 1.00 0.00 C ATOM 109 C6 DC A 4 0.900 -8.591 3.533 1.00 0.00 C ATOM 0 H5' DC A 4 4.302 -9.922 6.263 1.00 0.00 H new ATOM 0 H5'' DC A 4 4.368 -8.413 7.153 1.00 0.00 H new ATOM 0 H4' DC A 4 5.575 -8.357 5.040 1.00 0.00 H new ATOM 0 H3' DC A 4 4.155 -6.237 5.989 1.00 0.00 H new ATOM 0 H2' DC A 4 2.110 -6.599 4.729 1.00 0.00 H new ATOM 0 H2'' DC A 4 2.993 -5.558 3.630 1.00 0.00 H new ATOM 0 H1' DC A 4 3.700 -7.307 2.286 1.00 0.00 H new ATOM 0 H41 DC A 4 -2.342 -9.912 1.803 1.00 0.00 H new ATOM 0 H42 DC A 4 -1.719 -9.682 0.166 1.00 0.00 H new ATOM 0 H5 DC A 4 -1.048 -9.373 3.772 1.00 0.00 H new ATOM 0 H6 DC A 4 1.071 -8.512 4.596 1.00 0.00 H new ATOM 121 P DT A 5 5.694 -4.472 4.765 1.00 0.00 P ATOM 122 OP1 DT A 5 6.986 -4.430 5.498 1.00 0.00 O ATOM 123 OP2 DT A 5 4.475 -3.899 5.392 1.00 0.00 O ATOM 124 O5' DT A 5 5.894 -3.755 3.354 1.00 0.00 O ATOM 125 C5' DT A 5 7.045 -4.017 2.550 1.00 0.00 C ATOM 126 C4' DT A 5 6.828 -3.506 1.144 1.00 0.00 C ATOM 127 O4' DT A 5 5.587 -4.057 0.638 1.00 0.00 O ATOM 128 C3' DT A 5 6.711 -1.984 1.019 1.00 0.00 C ATOM 129 O3' DT A 5 7.489 -1.514 -0.087 1.00 0.00 O ATOM 130 C2' DT A 5 5.232 -1.744 0.768 1.00 0.00 C ATOM 131 C1' DT A 5 4.764 -3.031 0.120 1.00 0.00 C ATOM 132 N1 DT A 5 3.363 -3.379 0.416 1.00 0.00 N ATOM 133 C2 DT A 5 2.524 -3.676 -0.635 1.00 0.00 C ATOM 134 O2 DT A 5 2.883 -3.658 -1.800 1.00 0.00 O ATOM 135 N3 DT A 5 1.242 -3.994 -0.272 1.00 0.00 N ATOM 136 C4 DT A 5 0.727 -4.037 1.007 1.00 0.00 C ATOM 137 O4 DT A 5 -0.448 -4.334 1.182 1.00 0.00 O ATOM 138 C5 DT A 5 1.660 -3.709 2.061 1.00 0.00 C ATOM 139 C7 DT A 5 1.179 -3.713 3.479 1.00 0.00 C ATOM 140 C6 DT A 5 2.918 -3.403 1.721 1.00 0.00 C ATOM 0 H5' DT A 5 7.246 -5.088 2.528 1.00 0.00 H new ATOM 0 H5'' DT A 5 7.920 -3.537 2.988 1.00 0.00 H new ATOM 0 H4' DT A 5 7.712 -3.814 0.585 1.00 0.00 H new ATOM 0 H3' DT A 5 7.076 -1.460 1.903 1.00 0.00 H new ATOM 0 H2' DT A 5 4.696 -1.545 1.696 1.00 0.00 H new ATOM 0 H2'' DT A 5 5.071 -0.886 0.116 1.00 0.00 H new ATOM 0 H1' DT A 5 4.829 -2.909 -0.961 1.00 0.00 H new ATOM 0 H3 DT A 5 0.599 -4.224 -1.029 1.00 0.00 H new ATOM 0 H71 DT A 5 2.003 -3.978 4.142 1.00 0.00 H new ATOM 0 H72 DT A 5 0.808 -2.722 3.740 1.00 0.00 H new ATOM 0 H73 DT A 5 0.376 -4.442 3.589 1.00 0.00 H new ATOM 0 H6 DT A 5 3.619 -3.163 2.507 1.00 0.00 H new ATOM 153 P DG A 6 7.725 0.067 -0.284 1.00 0.00 P ATOM 154 OP1 DG A 6 9.142 0.371 0.039 1.00 0.00 O ATOM 155 OP2 DG A 6 6.638 0.778 0.439 1.00 0.00 O ATOM 156 O5' DG A 6 7.504 0.298 -1.844 1.00 0.00 O ATOM 157 C5' DG A 6 8.238 -0.456 -2.811 1.00 0.00 C ATOM 158 C4' DG A 6 7.505 -0.465 -4.131 1.00 0.00 C ATOM 159 O4' DG A 6 6.425 -1.429 -4.073 1.00 0.00 O ATOM 160 C3' DG A 6 6.834 0.852 -4.509 1.00 0.00 C ATOM 161 O3' DG A 6 7.738 1.698 -5.231 1.00 0.00 O ATOM 162 C2' DG A 6 5.689 0.388 -5.387 1.00 0.00 C ATOM 163 C1' DG A 6 5.257 -0.884 -4.679 1.00 0.00 C ATOM 164 N9 DG A 6 4.270 -0.649 -3.632 1.00 0.00 N ATOM 165 C8 DG A 6 4.502 -0.117 -2.391 1.00 0.00 C ATOM 166 N7 DG A 6 3.422 0.015 -1.672 1.00 0.00 N ATOM 167 C5 DG A 6 2.413 -0.492 -2.484 1.00 0.00 C ATOM 168 C6 DG A 6 1.022 -0.623 -2.246 1.00 0.00 C ATOM 169 O6 DG A 6 0.386 -0.334 -1.228 1.00 0.00 O ATOM 170 N1 DG A 6 0.361 -1.158 -3.346 1.00 0.00 N ATOM 171 C2 DG A 6 0.966 -1.534 -4.524 1.00 0.00 C ATOM 172 N2 DG A 6 0.169 -2.036 -5.480 1.00 0.00 N ATOM 173 N3 DG A 6 2.264 -1.426 -4.752 1.00 0.00 N ATOM 174 C4 DG A 6 2.921 -0.898 -3.699 1.00 0.00 C ATOM 0 H5' DG A 6 8.377 -1.477 -2.457 1.00 0.00 H new ATOM 0 H5'' DG A 6 9.231 -0.026 -2.941 1.00 0.00 H new ATOM 0 H4' DG A 6 8.277 -0.690 -4.867 1.00 0.00 H new ATOM 0 H3' DG A 6 6.511 1.445 -3.653 1.00 0.00 H new ATOM 0 H2' DG A 6 4.886 1.123 -5.435 1.00 0.00 H new ATOM 0 H2'' DG A 6 6.009 0.198 -6.411 1.00 0.00 H new ATOM 0 H1' DG A 6 4.796 -1.549 -5.410 1.00 0.00 H new ATOM 0 H8 DG A 6 5.484 0.166 -2.042 1.00 0.00 H new ATOM 0 H1 DG A 6 -0.649 -1.281 -3.275 1.00 0.00 H new ATOM 0 H21 DG A 6 0.566 -2.330 -6.372 1.00 0.00 H new ATOM 0 H22 DG A 6 -0.834 -2.123 -5.314 1.00 0.00 H new ATOM 186 P DG A 7 7.928 3.235 -4.781 1.00 0.00 P ATOM 187 OP1 DG A 7 9.214 3.706 -5.354 1.00 0.00 O ATOM 188 OP2 DG A 7 7.698 3.332 -3.318 1.00 0.00 O ATOM 189 O5' DG A 7 6.746 4.007 -5.521 1.00 0.00 O ATOM 190 C5' DG A 7 6.091 3.428 -6.648 1.00 0.00 C ATOM 191 C4' DG A 7 4.837 4.200 -6.989 1.00 0.00 C ATOM 192 O4' DG A 7 3.719 3.541 -6.347 1.00 0.00 O ATOM 193 C3' DG A 7 4.804 5.659 -6.527 1.00 0.00 C ATOM 194 O3' DG A 7 4.222 6.480 -7.548 1.00 0.00 O ATOM 195 C2' DG A 7 3.930 5.622 -5.287 1.00 0.00 C ATOM 196 C1' DG A 7 2.989 4.470 -5.570 1.00 0.00 C ATOM 197 N9 DG A 7 2.516 3.784 -4.374 1.00 0.00 N ATOM 198 C8 DG A 7 3.279 3.152 -3.425 1.00 0.00 C ATOM 199 N7 DG A 7 2.573 2.662 -2.439 1.00 0.00 N ATOM 200 C5 DG A 7 1.263 2.982 -2.769 1.00 0.00 C ATOM 201 C6 DG A 7 0.047 2.712 -2.086 1.00 0.00 C ATOM 202 O6 DG A 7 -0.118 2.134 -1.008 1.00 0.00 O ATOM 203 N1 DG A 7 -1.051 3.202 -2.785 1.00 0.00 N ATOM 204 C2 DG A 7 -0.988 3.872 -3.981 1.00 0.00 C ATOM 205 N2 DG A 7 -2.151 4.271 -4.502 1.00 0.00 N ATOM 206 N3 DG A 7 0.134 4.133 -4.624 1.00 0.00 N ATOM 207 C4 DG A 7 1.212 3.663 -3.966 1.00 0.00 C ATOM 0 H5' DG A 7 5.838 2.389 -6.435 1.00 0.00 H new ATOM 0 H5'' DG A 7 6.765 3.423 -7.504 1.00 0.00 H new ATOM 0 H4' DG A 7 4.797 4.214 -8.078 1.00 0.00 H new ATOM 0 H3' DG A 7 5.791 6.075 -6.325 1.00 0.00 H new ATOM 0 H2' DG A 7 4.517 5.452 -4.384 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.391 6.559 -5.145 1.00 0.00 H new ATOM 0 H1' DG A 7 2.105 4.869 -6.068 1.00 0.00 H new ATOM 0 H8 DG A 7 4.354 3.068 -3.486 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.974 3.052 -2.377 1.00 0.00 H new ATOM 0 H21 DG A 7 -2.167 4.774 -5.389 1.00 0.00 H new ATOM 0 H22 DG A 7 -3.024 4.073 -4.013 1.00 0.00 H new ATOM 219 P DT A 8 3.836 8.011 -7.229 1.00 0.00 P ATOM 220 OP1 DT A 8 3.975 8.773 -8.495 1.00 0.00 O ATOM 221 OP2 DT A 8 4.578 8.456 -6.021 1.00 0.00 O ATOM 222 O5' DT A 8 2.284 7.950 -6.866 1.00 0.00 O ATOM 223 C5' DT A 8 1.379 7.168 -7.648 1.00 0.00 C ATOM 224 C4' DT A 8 -0.038 7.666 -7.472 1.00 0.00 C ATOM 225 O4' DT A 8 -0.602 7.042 -6.293 1.00 0.00 O ATOM 226 C3' DT A 8 -0.181 9.178 -7.268 1.00 0.00 C ATOM 227 O3' DT A 8 -1.302 9.669 -8.011 1.00 0.00 O ATOM 228 C2' DT A 8 -0.418 9.320 -5.774 1.00 0.00 C ATOM 229 C1' DT A 8 -1.130 8.026 -5.425 1.00 0.00 C ATOM 230 N1 DT A 8 -0.924 7.564 -4.038 1.00 0.00 N ATOM 231 C2 DT A 8 -2.031 7.207 -3.302 1.00 0.00 C ATOM 232 O2 DT A 8 -3.167 7.250 -3.745 1.00 0.00 O ATOM 233 N3 DT A 8 -1.760 6.793 -2.025 1.00 0.00 N ATOM 234 C4 DT A 8 -0.526 6.702 -1.422 1.00 0.00 C ATOM 235 O4 DT A 8 -0.437 6.279 -0.272 1.00 0.00 O ATOM 236 C5 DT A 8 0.596 7.100 -2.244 1.00 0.00 C ATOM 237 C7 DT A 8 1.963 7.125 -1.630 1.00 0.00 C ATOM 238 C6 DT A 8 0.347 7.499 -3.505 1.00 0.00 C ATOM 0 H5' DT A 8 1.443 6.121 -7.351 1.00 0.00 H new ATOM 0 H5'' DT A 8 1.661 7.218 -8.700 1.00 0.00 H new ATOM 0 H4' DT A 8 -0.547 7.412 -8.402 1.00 0.00 H new ATOM 0 H3' DT A 8 0.687 9.743 -7.608 1.00 0.00 H new ATOM 0 H2' DT A 8 0.517 9.429 -5.224 1.00 0.00 H new ATOM 0 H2'' DT A 8 -1.028 10.193 -5.542 1.00 0.00 H new ATOM 0 H1' DT A 8 -2.202 8.196 -5.530 1.00 0.00 H new ATOM 0 H3 DT A 8 -2.563 6.522 -1.457 1.00 0.00 H new ATOM 0 H71 DT A 8 2.710 6.913 -2.395 1.00 0.00 H new ATOM 0 H72 DT A 8 2.152 8.110 -1.202 1.00 0.00 H new ATOM 0 H73 DT A 8 2.023 6.371 -0.845 1.00 0.00 H new ATOM 0 H6 DT A 8 1.182 7.782 -4.129 1.00 0.00 H new ATOM 251 P DC A 9 -1.522 11.254 -8.178 1.00 0.00 P ATOM 252 OP1 DC A 9 -2.253 11.462 -9.453 1.00 0.00 O ATOM 253 OP2 DC A 9 -0.227 11.947 -7.955 1.00 0.00 O ATOM 254 O5' DC A 9 -2.499 11.629 -6.977 1.00 0.00 O ATOM 255 C5' DC A 9 -3.804 11.056 -6.888 1.00 0.00 C ATOM 256 C4' DC A 9 -4.501 11.528 -5.634 1.00 0.00 C ATOM 257 O4' DC A 9 -4.295 10.573 -4.575 1.00 0.00 O ATOM 258 C3' DC A 9 -3.996 12.843 -5.052 1.00 0.00 C ATOM 259 O3' DC A 9 -4.647 13.952 -5.686 1.00 0.00 O ATOM 260 C2' DC A 9 -4.399 12.734 -3.590 1.00 0.00 C ATOM 261 C1' DC A 9 -4.510 11.225 -3.332 1.00 0.00 C ATOM 262 N1 DC A 9 -3.543 10.677 -2.361 1.00 0.00 N ATOM 263 C2 DC A 9 -4.019 10.227 -1.127 1.00 0.00 C ATOM 264 O2 DC A 9 -5.232 10.303 -0.889 1.00 0.00 O ATOM 265 N3 DC A 9 -3.148 9.721 -0.223 1.00 0.00 N ATOM 266 C4 DC A 9 -1.848 9.653 -0.515 1.00 0.00 C ATOM 267 N4 DC A 9 -1.028 9.150 0.409 1.00 0.00 N ATOM 268 C5 DC A 9 -1.331 10.098 -1.767 1.00 0.00 C ATOM 269 C6 DC A 9 -2.207 10.603 -2.652 1.00 0.00 C ATOM 0 H5' DC A 9 -3.731 9.968 -6.884 1.00 0.00 H new ATOM 0 H5'' DC A 9 -4.390 11.333 -7.764 1.00 0.00 H new ATOM 0 H4' DC A 9 -5.536 11.653 -5.951 1.00 0.00 H new ATOM 0 H3' DC A 9 -2.927 13.007 -5.192 1.00 0.00 H new ATOM 0 H2' DC A 9 -3.656 13.194 -2.938 1.00 0.00 H new ATOM 0 H2'' DC A 9 -5.346 13.240 -3.401 1.00 0.00 H new ATOM 0 H1' DC A 9 -5.496 11.054 -2.900 1.00 0.00 H new ATOM 0 H41 DC A 9 -0.028 9.083 0.221 1.00 0.00 H new ATOM 0 H42 DC A 9 -1.401 8.833 1.304 1.00 0.00 H new ATOM 0 H5 DC A 9 -0.277 10.032 -1.995 1.00 0.00 H new ATOM 0 H6 DC A 9 -1.851 10.956 -3.609 1.00 0.00 H new ATOM 281 P DT A 10 -3.769 15.093 -6.406 1.00 0.00 P ATOM 282 OP1 DT A 10 -4.065 15.023 -7.859 1.00 0.00 O ATOM 283 OP2 DT A 10 -2.363 14.986 -5.938 1.00 0.00 O ATOM 284 O5' DT A 10 -4.366 16.464 -5.852 1.00 0.00 O ATOM 285 C5' DT A 10 -5.699 16.543 -5.346 1.00 0.00 C ATOM 286 C4' DT A 10 -5.701 17.205 -3.987 1.00 0.00 C ATOM 287 O4' DT A 10 -5.635 16.186 -2.966 1.00 0.00 O ATOM 288 C3' DT A 10 -4.510 18.114 -3.707 1.00 0.00 C ATOM 289 O3' DT A 10 -4.770 19.455 -4.130 1.00 0.00 O ATOM 290 C2' DT A 10 -4.385 18.056 -2.198 1.00 0.00 C ATOM 291 C1' DT A 10 -4.930 16.682 -1.834 1.00 0.00 C ATOM 292 N1 DT A 10 -3.867 15.724 -1.496 1.00 0.00 N ATOM 293 C2 DT A 10 -3.928 15.074 -0.289 1.00 0.00 C ATOM 294 O2 DT A 10 -4.837 15.233 0.505 1.00 0.00 O ATOM 295 N3 DT A 10 -2.884 14.226 -0.044 1.00 0.00 N ATOM 296 C4 DT A 10 -1.819 13.951 -0.876 1.00 0.00 C ATOM 297 O4 DT A 10 -0.956 13.152 -0.519 1.00 0.00 O ATOM 298 C5 DT A 10 -1.828 14.658 -2.139 1.00 0.00 C ATOM 299 C7 DT A 10 -0.761 14.363 -3.147 1.00 0.00 C ATOM 300 C6 DT A 10 -2.834 15.509 -2.379 1.00 0.00 C ATOM 0 H5' DT A 10 -6.128 15.544 -5.273 1.00 0.00 H new ATOM 0 H5'' DT A 10 -6.325 17.109 -6.036 1.00 0.00 H new ATOM 0 H4' DT A 10 -6.610 17.806 -3.978 1.00 0.00 H new ATOM 0 H3' DT A 10 -3.609 17.804 -4.235 1.00 0.00 H new ATOM 0 H2' DT A 10 -3.349 18.172 -1.879 1.00 0.00 H new ATOM 0 H2'' DT A 10 -4.957 18.851 -1.720 1.00 0.00 H new ATOM 0 H1' DT A 10 -5.568 16.788 -0.957 1.00 0.00 H new ATOM 0 H3 DT A 10 -2.894 13.743 0.854 1.00 0.00 H new ATOM 0 H71 DT A 10 0.153 14.064 -2.633 1.00 0.00 H new ATOM 0 H72 DT A 10 -1.091 13.555 -3.800 1.00 0.00 H new ATOM 0 H73 DT A 10 -0.567 15.255 -3.743 1.00 0.00 H new ATOM 0 H6 DT A 10 -2.834 16.053 -3.312 1.00 0.00 H new ATOM 313 P DC A 11 -3.603 20.560 -4.033 1.00 0.00 P ATOM 314 OP1 DC A 11 -4.115 21.800 -4.669 1.00 0.00 O ATOM 315 OP2 DC A 11 -2.340 19.952 -4.527 1.00 0.00 O ATOM 316 O5' DC A 11 -3.446 20.829 -2.470 1.00 0.00 O ATOM 317 C5' DC A 11 -4.326 21.722 -1.785 1.00 0.00 C ATOM 318 C4' DC A 11 -4.240 21.507 -0.291 1.00 0.00 C ATOM 319 O4' DC A 11 -3.736 20.174 -0.030 1.00 0.00 O ATOM 320 C3' DC A 11 -3.310 22.466 0.457 1.00 0.00 C ATOM 321 O3' DC A 11 -3.953 22.916 1.656 1.00 0.00 O ATOM 322 C2' DC A 11 -2.087 21.620 0.771 1.00 0.00 C ATOM 323 C1' DC A 11 -2.674 20.231 0.903 1.00 0.00 C ATOM 324 N1 DC A 11 -1.749 19.128 0.597 1.00 0.00 N ATOM 325 C2 DC A 11 -1.502 18.162 1.578 1.00 0.00 C ATOM 326 O2 DC A 11 -2.048 18.279 2.686 1.00 0.00 O ATOM 327 N3 DC A 11 -0.680 17.128 1.297 1.00 0.00 N ATOM 328 C4 DC A 11 -0.114 17.033 0.094 1.00 0.00 C ATOM 329 N4 DC A 11 0.693 15.990 -0.126 1.00 0.00 N ATOM 330 C5 DC A 11 -0.344 18.008 -0.928 1.00 0.00 C ATOM 331 C6 DC A 11 -1.152 19.033 -0.629 1.00 0.00 C ATOM 0 H5' DC A 11 -5.350 21.563 -2.123 1.00 0.00 H new ATOM 0 H5'' DC A 11 -4.067 22.753 -2.026 1.00 0.00 H new ATOM 0 H4' DC A 11 -5.254 21.678 0.070 1.00 0.00 H new ATOM 0 H3' DC A 11 -3.052 23.359 -0.113 1.00 0.00 H new ATOM 0 H2' DC A 11 -1.343 21.672 -0.024 1.00 0.00 H new ATOM 0 H2'' DC A 11 -1.596 21.942 1.689 1.00 0.00 H new ATOM 0 H1' DC A 11 -2.964 20.092 1.944 1.00 0.00 H new ATOM 0 H41 DC A 11 1.147 15.879 -1.033 1.00 0.00 H new ATOM 0 H42 DC A 11 0.855 15.306 0.613 1.00 0.00 H new ATOM 0 H5 DC A 11 0.116 17.921 -1.901 1.00 0.00 H new ATOM 0 H6 DC A 11 -1.335 19.798 -1.369 1.00 0.00 H new ATOM 343 P DC A 12 -3.322 24.132 2.501 1.00 0.00 P ATOM 344 OP1 DC A 12 -4.151 25.339 2.258 1.00 0.00 O ATOM 345 OP2 DC A 12 -1.862 24.178 2.229 1.00 0.00 O ATOM 346 O5' DC A 12 -3.522 23.689 4.018 1.00 0.00 O ATOM 347 C5' DC A 12 -4.619 22.857 4.408 1.00 0.00 C ATOM 348 C4' DC A 12 -4.267 22.088 5.659 1.00 0.00 C ATOM 349 O4' DC A 12 -3.015 21.411 5.441 1.00 0.00 O ATOM 350 C3' DC A 12 -4.052 22.947 6.901 1.00 0.00 C ATOM 351 O3' DC A 12 -5.256 23.031 7.666 1.00 0.00 O ATOM 352 C2' DC A 12 -2.984 22.197 7.682 1.00 0.00 C ATOM 353 C1' DC A 12 -2.350 21.235 6.679 1.00 0.00 C ATOM 354 N1 DC A 12 -0.917 21.472 6.450 1.00 0.00 N ATOM 355 C2 DC A 12 0.016 20.575 6.975 1.00 0.00 C ATOM 356 O2 DC A 12 -0.388 19.595 7.620 1.00 0.00 O ATOM 357 N3 DC A 12 1.334 20.796 6.766 1.00 0.00 N ATOM 358 C4 DC A 12 1.727 21.858 6.061 1.00 0.00 C ATOM 359 N4 DC A 12 3.034 22.039 5.876 1.00 0.00 N ATOM 360 C5 DC A 12 0.797 22.785 5.511 1.00 0.00 C ATOM 361 C6 DC A 12 -0.502 22.558 5.731 1.00 0.00 C ATOM 0 H5' DC A 12 -4.865 22.164 3.603 1.00 0.00 H new ATOM 0 H5'' DC A 12 -5.504 23.468 4.584 1.00 0.00 H new ATOM 0 H4' DC A 12 -5.117 21.430 5.840 1.00 0.00 H new ATOM 0 H3' DC A 12 -3.763 23.970 6.660 1.00 0.00 H new ATOM 0 H2' DC A 12 -2.242 22.883 8.092 1.00 0.00 H new ATOM 0 H2'' DC A 12 -3.419 21.657 8.524 1.00 0.00 H new ATOM 0 HO3' DC A 12 -5.101 23.584 8.460 1.00 0.00 H new ATOM 0 H1' DC A 12 -2.449 20.230 7.089 1.00 0.00 H new ATOM 0 H41 DC A 12 3.367 22.841 5.341 1.00 0.00 H new ATOM 0 H42 DC A 12 3.701 21.375 6.269 1.00 0.00 H new ATOM 0 H5 DC A 12 1.128 23.639 4.938 1.00 0.00 H new ATOM 0 H6 DC A 12 -1.236 23.244 5.334 1.00 0.00 H new TER 374 DC A 12 ATOM 375 O5' DG B 13 11.351 15.835 8.497 1.00 0.00 O ATOM 376 C5' DG B 13 10.898 15.040 9.596 1.00 0.00 C ATOM 377 C4' DG B 13 9.411 14.785 9.500 1.00 0.00 C ATOM 378 O4' DG B 13 8.764 15.975 8.978 1.00 0.00 O ATOM 379 C3' DG B 13 9.008 13.649 8.556 1.00 0.00 C ATOM 380 O3' DG B 13 7.873 12.948 9.085 1.00 0.00 O ATOM 381 C2' DG B 13 8.643 14.389 7.284 1.00 0.00 C ATOM 382 C1' DG B 13 7.966 15.606 7.869 1.00 0.00 C ATOM 383 N9 DG B 13 7.866 16.749 6.969 1.00 0.00 N ATOM 384 C8 DG B 13 8.877 17.336 6.251 1.00 0.00 C ATOM 385 N7 DG B 13 8.477 18.345 5.527 1.00 0.00 N ATOM 386 C5 DG B 13 7.114 18.429 5.782 1.00 0.00 C ATOM 387 C6 DG B 13 6.139 19.328 5.283 1.00 0.00 C ATOM 388 O6 DG B 13 6.290 20.261 4.489 1.00 0.00 O ATOM 389 N1 DG B 13 4.875 19.057 5.801 1.00 0.00 N ATOM 390 C2 DG B 13 4.588 18.045 6.693 1.00 0.00 C ATOM 391 N2 DG B 13 3.310 17.921 7.099 1.00 0.00 N ATOM 392 N3 DG B 13 5.491 17.202 7.163 1.00 0.00 N ATOM 393 C4 DG B 13 6.723 17.451 6.670 1.00 0.00 C ATOM 0 H5' DG B 13 11.124 15.547 10.534 1.00 0.00 H new ATOM 0 H5'' DG B 13 11.434 14.091 9.609 1.00 0.00 H new ATOM 0 H4' DG B 13 9.107 14.512 10.511 1.00 0.00 H new ATOM 0 H3' DG B 13 9.785 12.899 8.408 1.00 0.00 H new ATOM 0 H2' DG B 13 9.518 14.646 6.687 1.00 0.00 H new ATOM 0 H2'' DG B 13 7.978 13.811 6.643 1.00 0.00 H new ATOM 0 HO5' DG B 13 10.610 16.381 8.161 1.00 0.00 H new ATOM 0 H1' DG B 13 6.936 15.345 8.110 1.00 0.00 H new ATOM 0 H8 DG B 13 9.902 16.997 6.282 1.00 0.00 H new ATOM 0 H1 DG B 13 4.104 19.652 5.498 1.00 0.00 H new ATOM 0 H21 DG B 13 3.053 17.186 7.758 1.00 0.00 H new ATOM 0 H22 DG B 13 2.599 18.562 6.747 1.00 0.00 H new ATOM 406 P DG B 14 7.244 11.705 8.277 1.00 0.00 P ATOM 407 OP1 DG B 14 6.786 10.716 9.286 1.00 0.00 O ATOM 408 OP2 DG B 14 8.207 11.287 7.226 1.00 0.00 O ATOM 409 O5' DG B 14 5.953 12.310 7.562 1.00 0.00 O ATOM 410 C5' DG B 14 5.377 13.543 7.999 1.00 0.00 C ATOM 411 C4' DG B 14 3.894 13.382 8.235 1.00 0.00 C ATOM 412 O4' DG B 14 3.183 13.722 7.020 1.00 0.00 O ATOM 413 C3' DG B 14 3.453 11.966 8.600 1.00 0.00 C ATOM 414 O3' DG B 14 2.396 12.018 9.561 1.00 0.00 O ATOM 415 C2' DG B 14 2.963 11.401 7.281 1.00 0.00 C ATOM 416 C1' DG B 14 2.388 12.629 6.595 1.00 0.00 C ATOM 417 N9 DG B 14 2.425 12.596 5.136 1.00 0.00 N ATOM 418 C8 DG B 14 3.034 11.657 4.341 1.00 0.00 C ATOM 419 N7 DG B 14 2.919 11.909 3.066 1.00 0.00 N ATOM 420 C5 DG B 14 2.180 13.082 3.015 1.00 0.00 C ATOM 421 C6 DG B 14 1.730 13.839 1.901 1.00 0.00 C ATOM 422 O6 DG B 14 1.901 13.616 0.697 1.00 0.00 O ATOM 423 N1 DG B 14 1.009 14.958 2.299 1.00 0.00 N ATOM 424 C2 DG B 14 0.756 15.309 3.602 1.00 0.00 C ATOM 425 N2 DG B 14 0.075 16.449 3.784 1.00 0.00 N ATOM 426 N3 DG B 14 1.153 14.605 4.648 1.00 0.00 N ATOM 427 C4 DG B 14 1.859 13.516 4.284 1.00 0.00 C ATOM 0 H5' DG B 14 5.550 14.317 7.251 1.00 0.00 H new ATOM 0 H5'' DG B 14 5.863 13.873 8.917 1.00 0.00 H new ATOM 0 H4' DG B 14 3.669 14.035 9.078 1.00 0.00 H new ATOM 0 H3' DG B 14 4.243 11.362 9.046 1.00 0.00 H new ATOM 0 H2' DG B 14 3.773 10.955 6.704 1.00 0.00 H new ATOM 0 H2'' DG B 14 2.210 10.626 7.425 1.00 0.00 H new ATOM 0 H1' DG B 14 1.334 12.694 6.866 1.00 0.00 H new ATOM 0 H8 DG B 14 3.556 10.796 4.732 1.00 0.00 H new ATOM 0 H1 DG B 14 0.639 15.565 1.567 1.00 0.00 H new ATOM 0 H21 DG B 14 -0.146 16.766 4.728 1.00 0.00 H new ATOM 0 H22 DG B 14 -0.223 16.999 2.978 1.00 0.00 H new ATOM 439 P DA B 15 2.119 10.755 10.516 1.00 0.00 P ATOM 440 OP1 DA B 15 2.510 11.122 11.901 1.00 0.00 O ATOM 441 OP2 DA B 15 2.720 9.557 9.877 1.00 0.00 O ATOM 442 O5' DA B 15 0.536 10.598 10.470 1.00 0.00 O ATOM 443 C5' DA B 15 -0.313 11.746 10.434 1.00 0.00 C ATOM 444 C4' DA B 15 -1.527 11.475 9.579 1.00 0.00 C ATOM 445 O4' DA B 15 -1.345 12.057 8.271 1.00 0.00 O ATOM 446 C3' DA B 15 -1.809 10.004 9.303 1.00 0.00 C ATOM 447 O3' DA B 15 -2.609 9.446 10.350 1.00 0.00 O ATOM 448 C2' DA B 15 -2.575 10.041 7.991 1.00 0.00 C ATOM 449 C1' DA B 15 -2.164 11.365 7.340 1.00 0.00 C ATOM 450 N9 DA B 15 -1.405 11.217 6.098 1.00 0.00 N ATOM 451 C8 DA B 15 -0.236 10.524 5.893 1.00 0.00 C ATOM 452 N7 DA B 15 0.195 10.571 4.657 1.00 0.00 N ATOM 453 C5 DA B 15 -0.749 11.352 4.003 1.00 0.00 C ATOM 454 C6 DA B 15 -0.862 11.782 2.670 1.00 0.00 C ATOM 455 N6 DA B 15 0.016 11.469 1.715 1.00 0.00 N ATOM 456 N1 DA B 15 -1.922 12.556 2.347 1.00 0.00 N ATOM 457 C2 DA B 15 -2.802 12.868 3.309 1.00 0.00 C ATOM 458 N3 DA B 15 -2.803 12.524 4.594 1.00 0.00 N ATOM 459 C4 DA B 15 -1.737 11.759 4.880 1.00 0.00 C ATOM 0 H5' DA B 15 0.236 12.600 10.037 1.00 0.00 H new ATOM 0 H5'' DA B 15 -0.624 12.009 11.445 1.00 0.00 H new ATOM 0 H4' DA B 15 -2.350 11.898 10.155 1.00 0.00 H new ATOM 0 H3' DA B 15 -0.910 9.389 9.252 1.00 0.00 H new ATOM 0 H2' DA B 15 -2.318 9.192 7.358 1.00 0.00 H new ATOM 0 H2'' DA B 15 -3.651 9.999 8.159 1.00 0.00 H new ATOM 0 H1' DA B 15 -3.081 11.895 7.083 1.00 0.00 H new ATOM 0 H8 DA B 15 0.279 9.990 6.678 1.00 0.00 H new ATOM 0 H61 DA B 15 -0.121 11.812 0.764 1.00 0.00 H new ATOM 0 H62 DA B 15 0.824 10.887 1.936 1.00 0.00 H new ATOM 0 H2 DA B 15 -3.629 13.488 2.996 1.00 0.00 H new ATOM 471 P DG B 16 -2.275 7.978 10.916 1.00 0.00 P ATOM 472 OP1 DG B 16 -2.274 8.045 12.400 1.00 0.00 O ATOM 473 OP2 DG B 16 -1.076 7.461 10.205 1.00 0.00 O ATOM 474 O5' DG B 16 -3.525 7.102 10.462 1.00 0.00 O ATOM 475 C5' DG B 16 -4.842 7.655 10.451 1.00 0.00 C ATOM 476 C4' DG B 16 -5.500 7.408 9.114 1.00 0.00 C ATOM 477 O4' DG B 16 -4.626 7.889 8.065 1.00 0.00 O ATOM 478 C3' DG B 16 -5.784 5.936 8.795 1.00 0.00 C ATOM 479 O3' DG B 16 -7.167 5.765 8.466 1.00 0.00 O ATOM 480 C2' DG B 16 -4.904 5.633 7.590 1.00 0.00 C ATOM 481 C1' DG B 16 -4.697 6.999 6.975 1.00 0.00 C ATOM 482 N9 DG B 16 -3.474 7.139 6.190 1.00 0.00 N ATOM 483 C8 DG B 16 -2.191 6.846 6.584 1.00 0.00 C ATOM 484 N7 DG B 16 -1.305 7.057 5.650 1.00 0.00 N ATOM 485 C5 DG B 16 -2.048 7.522 4.573 1.00 0.00 C ATOM 486 C6 DG B 16 -1.638 7.917 3.273 1.00 0.00 C ATOM 487 O6 DG B 16 -0.497 7.939 2.797 1.00 0.00 O ATOM 488 N1 DG B 16 -2.719 8.321 2.496 1.00 0.00 N ATOM 489 C2 DG B 16 -4.028 8.345 2.916 1.00 0.00 C ATOM 490 N2 DG B 16 -4.944 8.762 2.031 1.00 0.00 N ATOM 491 N3 DG B 16 -4.420 7.984 4.124 1.00 0.00 N ATOM 492 C4 DG B 16 -3.387 7.584 4.893 1.00 0.00 C ATOM 0 H5' DG B 16 -4.796 8.726 10.650 1.00 0.00 H new ATOM 0 H5'' DG B 16 -5.439 7.208 11.246 1.00 0.00 H new ATOM 0 H4' DG B 16 -6.456 7.928 9.167 1.00 0.00 H new ATOM 0 H3' DG B 16 -5.575 5.273 9.635 1.00 0.00 H new ATOM 0 H2' DG B 16 -3.960 5.174 7.884 1.00 0.00 H new ATOM 0 H2'' DG B 16 -5.390 4.947 6.897 1.00 0.00 H new ATOM 0 H1' DG B 16 -5.513 7.190 6.277 1.00 0.00 H new ATOM 0 H8 DG B 16 -1.941 6.478 7.568 1.00 0.00 H new ATOM 0 H1 DG B 16 -2.526 8.623 1.541 1.00 0.00 H new ATOM 0 H21 DG B 16 -5.929 8.798 2.295 1.00 0.00 H new ATOM 0 H22 DG B 16 -4.656 9.044 1.094 1.00 0.00 H new ATOM 504 P DA B 17 -7.722 4.311 8.064 1.00 0.00 P ATOM 505 OP1 DA B 17 -9.103 4.183 8.593 1.00 0.00 O ATOM 506 OP2 DA B 17 -6.695 3.307 8.444 1.00 0.00 O ATOM 507 O5' DA B 17 -7.800 4.358 6.474 1.00 0.00 O ATOM 508 C5' DA B 17 -8.579 5.353 5.806 1.00 0.00 C ATOM 509 C4' DA B 17 -8.729 5.005 4.344 1.00 0.00 C ATOM 510 O4' DA B 17 -7.525 5.405 3.644 1.00 0.00 O ATOM 511 C3' DA B 17 -8.915 3.514 4.048 1.00 0.00 C ATOM 512 O3' DA B 17 -9.878 3.341 3.002 1.00 0.00 O ATOM 513 C2' DA B 17 -7.535 3.069 3.598 1.00 0.00 C ATOM 514 C1' DA B 17 -7.018 4.310 2.902 1.00 0.00 C ATOM 515 N9 DA B 17 -5.561 4.430 2.860 1.00 0.00 N ATOM 516 C8 DA B 17 -4.662 4.215 3.875 1.00 0.00 C ATOM 517 N7 DA B 17 -3.413 4.400 3.523 1.00 0.00 N ATOM 518 C5 DA B 17 -3.494 4.764 2.186 1.00 0.00 C ATOM 519 C6 DA B 17 -2.516 5.097 1.234 1.00 0.00 C ATOM 520 N6 DA B 17 -1.207 5.122 1.495 1.00 0.00 N ATOM 521 N1 DA B 17 -2.932 5.410 -0.012 1.00 0.00 N ATOM 522 C2 DA B 17 -4.246 5.388 -0.272 1.00 0.00 C ATOM 523 N3 DA B 17 -5.260 5.094 0.537 1.00 0.00 N ATOM 524 C4 DA B 17 -4.812 4.786 1.765 1.00 0.00 C ATOM 0 H5' DA B 17 -8.102 6.328 5.908 1.00 0.00 H new ATOM 0 H5'' DA B 17 -9.562 5.429 6.272 1.00 0.00 H new ATOM 0 H4' DA B 17 -9.630 5.525 4.019 1.00 0.00 H new ATOM 0 H3' DA B 17 -9.281 2.942 4.900 1.00 0.00 H new ATOM 0 H2' DA B 17 -6.905 2.780 4.439 1.00 0.00 H new ATOM 0 H2'' DA B 17 -7.581 2.213 2.925 1.00 0.00 H new ATOM 0 H1' DA B 17 -7.341 4.272 1.862 1.00 0.00 H new ATOM 0 H8 DA B 17 -4.957 3.921 4.871 1.00 0.00 H new ATOM 0 H61 DA B 17 -0.545 5.372 0.760 1.00 0.00 H new ATOM 0 H62 DA B 17 -0.869 4.891 2.429 1.00 0.00 H new ATOM 0 H2 DA B 17 -4.522 5.646 -1.284 1.00 0.00 H new ATOM 536 P DC B 18 -10.204 1.867 2.446 1.00 0.00 P ATOM 537 OP1 DC B 18 -11.658 1.802 2.151 1.00 0.00 O ATOM 538 OP2 DC B 18 -9.599 0.878 3.376 1.00 0.00 O ATOM 539 O5' DC B 18 -9.408 1.793 1.068 1.00 0.00 O ATOM 540 C5' DC B 18 -9.510 2.843 0.104 1.00 0.00 C ATOM 541 C4' DC B 18 -8.595 2.569 -1.067 1.00 0.00 C ATOM 542 O4' DC B 18 -7.239 2.881 -0.694 1.00 0.00 O ATOM 543 C3' DC B 18 -8.545 1.116 -1.537 1.00 0.00 C ATOM 544 O3' DC B 18 -9.474 0.908 -2.609 1.00 0.00 O ATOM 545 C2' DC B 18 -7.114 0.942 -2.031 1.00 0.00 C ATOM 546 C1' DC B 18 -6.381 2.208 -1.592 1.00 0.00 C ATOM 547 N1 DC B 18 -5.100 1.963 -0.908 1.00 0.00 N ATOM 548 C2 DC B 18 -3.913 2.191 -1.607 1.00 0.00 C ATOM 549 O2 DC B 18 -3.976 2.602 -2.773 1.00 0.00 O ATOM 550 N3 DC B 18 -2.729 1.959 -0.997 1.00 0.00 N ATOM 551 C4 DC B 18 -2.705 1.519 0.263 1.00 0.00 C ATOM 552 N4 DC B 18 -1.512 1.313 0.827 1.00 0.00 N ATOM 553 C5 DC B 18 -3.900 1.275 1.001 1.00 0.00 C ATOM 554 C6 DC B 18 -5.065 1.511 0.383 1.00 0.00 C ATOM 0 H5' DC B 18 -9.248 3.796 0.564 1.00 0.00 H new ATOM 0 H5'' DC B 18 -10.540 2.929 -0.243 1.00 0.00 H new ATOM 0 H4' DC B 18 -9.003 3.181 -1.871 1.00 0.00 H new ATOM 0 H3' DC B 18 -8.810 0.407 -0.753 1.00 0.00 H new ATOM 0 H2' DC B 18 -6.655 0.052 -1.601 1.00 0.00 H new ATOM 0 H2'' DC B 18 -7.083 0.825 -3.114 1.00 0.00 H new ATOM 0 H1' DC B 18 -6.141 2.780 -2.488 1.00 0.00 H new ATOM 0 H41 DC B 18 -1.454 0.977 1.788 1.00 0.00 H new ATOM 0 H42 DC B 18 -0.659 1.492 0.296 1.00 0.00 H new ATOM 0 H5 DC B 18 -3.867 0.914 2.018 1.00 0.00 H new ATOM 0 H6 DC B 18 -5.991 1.342 0.912 1.00 0.00 H new ATOM 566 P DC B 19 -9.912 -0.588 -3.007 1.00 0.00 P ATOM 567 OP1 DC B 19 -10.749 -0.491 -4.230 1.00 0.00 O ATOM 568 OP2 DC B 19 -10.458 -1.252 -1.796 1.00 0.00 O ATOM 569 O5' DC B 19 -8.539 -1.306 -3.389 1.00 0.00 O ATOM 570 C5' DC B 19 -8.051 -1.303 -4.733 1.00 0.00 C ATOM 571 C4' DC B 19 -7.055 -2.421 -4.934 1.00 0.00 C ATOM 572 O4' DC B 19 -5.729 -1.930 -4.659 1.00 0.00 O ATOM 573 C3' DC B 19 -7.225 -3.625 -4.010 1.00 0.00 C ATOM 574 O3' DC B 19 -8.080 -4.596 -4.628 1.00 0.00 O ATOM 575 C2' DC B 19 -5.809 -4.163 -3.860 1.00 0.00 C ATOM 576 C1' DC B 19 -4.895 -3.016 -4.289 1.00 0.00 C ATOM 577 N1 DC B 19 -3.978 -2.536 -3.242 1.00 0.00 N ATOM 578 C2 DC B 19 -2.611 -2.451 -3.525 1.00 0.00 C ATOM 579 O2 DC B 19 -2.204 -2.806 -4.642 1.00 0.00 O ATOM 580 N3 DC B 19 -1.767 -1.986 -2.576 1.00 0.00 N ATOM 581 C4 DC B 19 -2.241 -1.620 -1.384 1.00 0.00 C ATOM 582 N4 DC B 19 -1.372 -1.164 -0.483 1.00 0.00 N ATOM 583 C5 DC B 19 -3.628 -1.705 -1.065 1.00 0.00 C ATOM 584 C6 DC B 19 -4.453 -2.166 -2.014 1.00 0.00 C ATOM 0 H5' DC B 19 -7.581 -0.345 -4.954 1.00 0.00 H new ATOM 0 H5'' DC B 19 -8.882 -1.418 -5.429 1.00 0.00 H new ATOM 0 H4' DC B 19 -7.221 -2.745 -5.962 1.00 0.00 H new ATOM 0 H3' DC B 19 -7.680 -3.377 -3.051 1.00 0.00 H new ATOM 0 H2' DC B 19 -5.609 -4.462 -2.831 1.00 0.00 H new ATOM 0 H2'' DC B 19 -5.655 -5.044 -4.484 1.00 0.00 H new ATOM 0 H1' DC B 19 -4.271 -3.394 -5.099 1.00 0.00 H new ATOM 0 H41 DC B 19 -1.698 -0.875 0.439 1.00 0.00 H new ATOM 0 H42 DC B 19 -0.381 -1.104 -0.715 1.00 0.00 H new ATOM 0 H5 DC B 19 -3.999 -1.409 -0.095 1.00 0.00 H new ATOM 0 H6 DC B 19 -5.510 -2.247 -1.806 1.00 0.00 H new ATOM 596 P DA B 20 -8.221 -6.064 -3.985 1.00 0.00 P ATOM 597 OP1 DA B 20 -9.427 -6.692 -4.582 1.00 0.00 O ATOM 598 OP2 DA B 20 -8.110 -5.948 -2.508 1.00 0.00 O ATOM 599 O5' DA B 20 -6.937 -6.842 -4.521 1.00 0.00 O ATOM 600 C5' DA B 20 -6.783 -7.143 -5.911 1.00 0.00 C ATOM 601 C4' DA B 20 -5.320 -7.314 -6.252 1.00 0.00 C ATOM 602 O4' DA B 20 -4.542 -6.420 -5.430 1.00 0.00 O ATOM 603 C3' DA B 20 -4.761 -8.710 -5.989 1.00 0.00 C ATOM 604 O3' DA B 20 -4.760 -9.477 -7.198 1.00 0.00 O ATOM 605 C2' DA B 20 -3.334 -8.460 -5.522 1.00 0.00 C ATOM 606 C1' DA B 20 -3.269 -6.981 -5.166 1.00 0.00 C ATOM 607 N9 DA B 20 -2.953 -6.731 -3.762 1.00 0.00 N ATOM 608 C8 DA B 20 -3.773 -6.930 -2.680 1.00 0.00 C ATOM 609 N7 DA B 20 -3.217 -6.625 -1.533 1.00 0.00 N ATOM 610 C5 DA B 20 -1.945 -6.195 -1.884 1.00 0.00 C ATOM 611 C6 DA B 20 -0.859 -5.737 -1.122 1.00 0.00 C ATOM 612 N6 DA B 20 -0.885 -5.629 0.206 1.00 0.00 N ATOM 613 N1 DA B 20 0.269 -5.386 -1.778 1.00 0.00 N ATOM 614 C2 DA B 20 0.290 -5.494 -3.114 1.00 0.00 C ATOM 615 N3 DA B 20 -0.666 -5.912 -3.941 1.00 0.00 N ATOM 616 C4 DA B 20 -1.771 -6.252 -3.255 1.00 0.00 C ATOM 0 H5' DA B 20 -7.213 -6.342 -6.513 1.00 0.00 H new ATOM 0 H5'' DA B 20 -7.329 -8.054 -6.155 1.00 0.00 H new ATOM 0 H4' DA B 20 -5.251 -7.113 -7.321 1.00 0.00 H new ATOM 0 H3' DA B 20 -5.349 -9.268 -5.260 1.00 0.00 H new ATOM 0 H2' DA B 20 -3.090 -9.081 -4.660 1.00 0.00 H new ATOM 0 H2'' DA B 20 -2.617 -8.706 -6.305 1.00 0.00 H new ATOM 0 H1' DA B 20 -2.471 -6.537 -5.761 1.00 0.00 H new ATOM 0 H8 DA B 20 -4.783 -7.303 -2.766 1.00 0.00 H new ATOM 0 H61 DA B 20 -0.064 -5.289 0.706 1.00 0.00 H new ATOM 0 H62 DA B 20 -1.726 -5.886 0.722 1.00 0.00 H new ATOM 0 H2 DA B 20 1.215 -5.200 -3.587 1.00 0.00 H new ATOM 628 P DG B 21 -4.127 -10.956 -7.207 1.00 0.00 P ATOM 629 OP1 DG B 21 -4.587 -11.650 -8.437 1.00 0.00 O ATOM 630 OP2 DG B 21 -4.389 -11.568 -5.879 1.00 0.00 O ATOM 631 O5' DG B 21 -2.557 -10.707 -7.332 1.00 0.00 O ATOM 632 C5' DG B 21 -2.002 -10.077 -8.489 1.00 0.00 C ATOM 633 C4' DG B 21 -0.493 -10.065 -8.404 1.00 0.00 C ATOM 634 O4' DG B 21 -0.085 -9.172 -7.341 1.00 0.00 O ATOM 635 C3' DG B 21 0.143 -11.412 -8.074 1.00 0.00 C ATOM 636 O3' DG B 21 0.493 -12.104 -9.278 1.00 0.00 O ATOM 637 C2' DG B 21 1.384 -11.021 -7.294 1.00 0.00 C ATOM 638 C1' DG B 21 0.935 -9.771 -6.553 1.00 0.00 C ATOM 639 N9 DG B 21 0.383 -10.022 -5.224 1.00 0.00 N ATOM 640 C8 DG B 21 -0.842 -10.566 -4.927 1.00 0.00 C ATOM 641 N7 DG B 21 -1.059 -10.677 -3.646 1.00 0.00 N ATOM 642 C5 DG B 21 0.091 -10.168 -3.058 1.00 0.00 C ATOM 643 C6 DG B 21 0.438 -10.025 -1.690 1.00 0.00 C ATOM 644 O6 DG B 21 -0.225 -10.330 -0.692 1.00 0.00 O ATOM 645 N1 DG B 21 1.700 -9.461 -1.539 1.00 0.00 N ATOM 646 C2 DG B 21 2.523 -9.084 -2.569 1.00 0.00 C ATOM 647 N2 DG B 21 3.700 -8.557 -2.215 1.00 0.00 N ATOM 648 N3 DG B 21 2.214 -9.213 -3.849 1.00 0.00 N ATOM 649 C4 DG B 21 0.991 -9.759 -4.019 1.00 0.00 C ATOM 0 H5' DG B 21 -2.377 -9.057 -8.572 1.00 0.00 H new ATOM 0 H5'' DG B 21 -2.319 -10.607 -9.388 1.00 0.00 H new ATOM 0 H4' DG B 21 -0.161 -9.761 -9.397 1.00 0.00 H new ATOM 0 H3' DG B 21 -0.515 -12.082 -7.521 1.00 0.00 H new ATOM 0 H2' DG B 21 1.695 -11.808 -6.608 1.00 0.00 H new ATOM 0 H2'' DG B 21 2.229 -10.820 -7.952 1.00 0.00 H new ATOM 0 H1' DG B 21 1.814 -9.143 -6.408 1.00 0.00 H new ATOM 0 H8 DG B 21 -1.555 -10.871 -5.679 1.00 0.00 H new ATOM 0 H1 DG B 21 2.040 -9.316 -0.588 1.00 0.00 H new ATOM 0 H21 DG B 21 4.360 -8.255 -2.932 1.00 0.00 H new ATOM 0 H22 DG B 21 3.938 -8.457 -1.228 1.00 0.00 H new ATOM 661 P DA B 22 0.300 -13.698 -9.369 1.00 0.00 P ATOM 662 OP1 DA B 22 0.510 -14.087 -10.786 1.00 0.00 O ATOM 663 OP2 DA B 22 -0.968 -14.061 -8.689 1.00 0.00 O ATOM 664 O5' DA B 22 1.512 -14.277 -8.514 1.00 0.00 O ATOM 665 C5' DA B 22 2.854 -13.853 -8.761 1.00 0.00 C ATOM 666 C4' DA B 22 3.793 -14.490 -7.765 1.00 0.00 C ATOM 667 O4' DA B 22 3.852 -13.671 -6.574 1.00 0.00 O ATOM 668 C3' DA B 22 3.373 -15.871 -7.275 1.00 0.00 C ATOM 669 O3' DA B 22 3.905 -16.886 -8.131 1.00 0.00 O ATOM 670 C2' DA B 22 3.999 -15.937 -5.896 1.00 0.00 C ATOM 671 C1' DA B 22 3.902 -14.495 -5.415 1.00 0.00 C ATOM 672 N9 DA B 22 2.716 -14.210 -4.609 1.00 0.00 N ATOM 673 C8 DA B 22 1.421 -14.037 -5.033 1.00 0.00 C ATOM 674 N7 DA B 22 0.574 -13.791 -4.062 1.00 0.00 N ATOM 675 C5 DA B 22 1.366 -13.805 -2.921 1.00 0.00 C ATOM 676 C6 DA B 22 1.069 -13.610 -1.561 1.00 0.00 C ATOM 677 N6 DA B 22 -0.156 -13.353 -1.098 1.00 0.00 N ATOM 678 N1 DA B 22 2.089 -13.687 -0.678 1.00 0.00 N ATOM 679 C2 DA B 22 3.319 -13.946 -1.142 1.00 0.00 C ATOM 680 N3 DA B 22 3.721 -14.147 -2.394 1.00 0.00 N ATOM 681 C4 DA B 22 2.685 -14.061 -3.244 1.00 0.00 C ATOM 0 H5' DA B 22 2.919 -12.767 -8.690 1.00 0.00 H new ATOM 0 H5'' DA B 22 3.148 -14.125 -9.775 1.00 0.00 H new ATOM 0 H4' DA B 22 4.738 -14.581 -8.300 1.00 0.00 H new ATOM 0 H3' DA B 22 2.294 -16.026 -7.265 1.00 0.00 H new ATOM 0 H2' DA B 22 3.460 -16.620 -5.239 1.00 0.00 H new ATOM 0 H2'' DA B 22 5.032 -16.282 -5.936 1.00 0.00 H new ATOM 0 H1' DA B 22 4.765 -14.305 -4.777 1.00 0.00 H new ATOM 0 H8 DA B 22 1.127 -14.098 -6.070 1.00 0.00 H new ATOM 0 H61 DA B 22 -0.306 -13.221 -0.098 1.00 0.00 H new ATOM 0 H62 DA B 22 -0.942 -13.288 -1.744 1.00 0.00 H new ATOM 0 H2 DA B 22 4.095 -13.999 -0.393 1.00 0.00 H new ATOM 693 P DG B 23 3.124 -18.280 -8.300 1.00 0.00 P ATOM 694 OP1 DG B 23 3.522 -18.850 -9.613 1.00 0.00 O ATOM 695 OP2 DG B 23 1.685 -18.064 -8.002 1.00 0.00 O ATOM 696 O5' DG B 23 3.738 -19.206 -7.158 1.00 0.00 O ATOM 697 C5' DG B 23 5.148 -19.270 -6.940 1.00 0.00 C ATOM 698 C4' DG B 23 5.443 -19.389 -5.465 1.00 0.00 C ATOM 699 O4' DG B 23 4.692 -18.388 -4.752 1.00 0.00 O ATOM 700 C3' DG B 23 5.031 -20.712 -4.828 1.00 0.00 C ATOM 701 O3' DG B 23 6.100 -21.663 -4.921 1.00 0.00 O ATOM 702 C2' DG B 23 4.777 -20.330 -3.380 1.00 0.00 C ATOM 703 C1' DG B 23 4.449 -18.837 -3.428 1.00 0.00 C ATOM 704 N9 DG B 23 3.065 -18.516 -3.095 1.00 0.00 N ATOM 705 C8 DG B 23 1.987 -18.500 -3.948 1.00 0.00 C ATOM 706 N7 DG B 23 0.868 -18.184 -3.358 1.00 0.00 N ATOM 707 C5 DG B 23 1.228 -17.977 -2.032 1.00 0.00 C ATOM 708 C6 DG B 23 0.439 -17.614 -0.911 1.00 0.00 C ATOM 709 O6 DG B 23 -0.778 -17.396 -0.864 1.00 0.00 O ATOM 710 N1 DG B 23 1.207 -17.512 0.245 1.00 0.00 N ATOM 711 C2 DG B 23 2.564 -17.735 0.314 1.00 0.00 C ATOM 712 N2 DG B 23 3.149 -17.596 1.516 1.00 0.00 N ATOM 713 N3 DG B 23 3.308 -18.072 -0.725 1.00 0.00 N ATOM 714 C4 DG B 23 2.581 -18.177 -1.856 1.00 0.00 C ATOM 0 H5' DG B 23 5.626 -18.377 -7.343 1.00 0.00 H new ATOM 0 H5'' DG B 23 5.567 -20.124 -7.472 1.00 0.00 H new ATOM 0 H4' DG B 23 6.526 -19.286 -5.394 1.00 0.00 H new ATOM 0 H3' DG B 23 4.168 -21.175 -5.307 1.00 0.00 H new ATOM 0 H2' DG B 23 3.952 -20.904 -2.957 1.00 0.00 H new ATOM 0 H2'' DG B 23 5.652 -20.524 -2.759 1.00 0.00 H new ATOM 0 H1' DG B 23 5.074 -18.349 -2.680 1.00 0.00 H new ATOM 0 H8 DG B 23 2.060 -18.727 -5.001 1.00 0.00 H new ATOM 0 H1 DG B 23 0.728 -17.252 1.107 1.00 0.00 H new ATOM 0 H21 DG B 23 4.152 -17.751 1.616 1.00 0.00 H new ATOM 0 H22 DG B 23 2.590 -17.335 2.328 1.00 0.00 H new ATOM 726 P DG B 24 5.819 -23.131 -5.515 1.00 0.00 P ATOM 727 OP1 DG B 24 6.933 -23.475 -6.436 1.00 0.00 O ATOM 728 OP2 DG B 24 4.419 -23.181 -6.010 1.00 0.00 O ATOM 729 O5' DG B 24 5.918 -24.087 -4.243 1.00 0.00 O ATOM 730 C5' DG B 24 7.131 -24.198 -3.496 1.00 0.00 C ATOM 731 C4' DG B 24 6.892 -24.975 -2.222 1.00 0.00 C ATOM 732 O4' DG B 24 6.312 -24.086 -1.236 1.00 0.00 O ATOM 733 C3' DG B 24 5.916 -26.145 -2.353 1.00 0.00 C ATOM 734 O3' DG B 24 6.623 -27.375 -2.530 1.00 0.00 O ATOM 735 C2' DG B 24 5.186 -26.139 -1.024 1.00 0.00 C ATOM 736 C1' DG B 24 5.137 -24.660 -0.686 1.00 0.00 C ATOM 737 N9 DG B 24 3.990 -23.949 -1.241 1.00 0.00 N ATOM 738 C8 DG B 24 3.738 -23.692 -2.566 1.00 0.00 C ATOM 739 N7 DG B 24 2.631 -23.032 -2.762 1.00 0.00 N ATOM 740 C5 DG B 24 2.117 -22.841 -1.486 1.00 0.00 C ATOM 741 C6 DG B 24 0.932 -22.190 -1.062 1.00 0.00 C ATOM 742 O6 DG B 24 0.072 -21.634 -1.752 1.00 0.00 O ATOM 743 N1 DG B 24 0.795 -22.226 0.321 1.00 0.00 N ATOM 744 C2 DG B 24 1.681 -22.814 1.184 1.00 0.00 C ATOM 745 N2 DG B 24 1.368 -22.742 2.481 1.00 0.00 N ATOM 746 N3 DG B 24 2.791 -23.425 0.805 1.00 0.00 N ATOM 747 C4 DG B 24 2.944 -23.401 -0.536 1.00 0.00 C ATOM 0 H5' DG B 24 7.512 -23.205 -3.258 1.00 0.00 H new ATOM 0 H5'' DG B 24 7.892 -24.696 -4.097 1.00 0.00 H new ATOM 0 H4' DG B 24 7.867 -25.377 -1.947 1.00 0.00 H new ATOM 0 H3' DG B 24 5.250 -26.052 -3.211 1.00 0.00 H new ATOM 0 H2' DG B 24 4.188 -26.570 -1.107 1.00 0.00 H new ATOM 0 H2'' DG B 24 5.719 -26.712 -0.265 1.00 0.00 H new ATOM 0 HO3' DG B 24 5.982 -28.112 -2.610 1.00 0.00 H new ATOM 0 H1' DG B 24 5.056 -24.570 0.397 1.00 0.00 H new ATOM 0 H8 DG B 24 4.392 -24.005 -3.366 1.00 0.00 H new ATOM 0 H1 DG B 24 -0.029 -21.780 0.724 1.00 0.00 H new ATOM 0 H21 DG B 24 1.984 -23.159 3.178 1.00 0.00 H new ATOM 0 H22 DG B 24 0.513 -22.270 2.774 1.00 0.00 H new TER 760 DG B 24 HETATM 761 PT 1PT A 13 3.207 1.786 -0.741 1.00 0.00 PT HETATM 762 N1 1PT A 13 2.978 3.520 0.286 1.00 0.00 N HETATM 763 N2 1PT A 13 3.901 1.030 1.006 1.00 0.00 N HETATM 764 C1 1PT A 13 3.110 3.217 1.793 1.00 0.00 C HETATM 765 C2 1PT A 13 4.230 2.204 1.948 1.00 0.00 C HETATM 766 C3 1PT A 13 4.381 1.783 3.372 1.00 0.00 C HETATM 767 C4 1PT A 13 4.715 3.017 4.287 1.00 0.00 C HETATM 768 C5 1PT A 13 3.538 4.092 4.070 1.00 0.00 C HETATM 769 C6 1PT A 13 3.377 4.448 2.610 1.00 0.00 C HETATM 0 H62 1PT A 13 4.279 4.942 2.249 1.00 0.00 H new HETATM 0 H61 1PT A 13 2.556 5.155 2.491 1.00 0.00 H new HETATM 0 H52 1PT A 13 2.600 3.689 4.453 1.00 0.00 H new HETATM 0 H51 1PT A 13 3.756 4.993 4.644 1.00 0.00 H new HETATM 0 H42 1PT A 13 4.776 2.717 5.333 1.00 0.00 H new HETATM 0 H41 1PT A 13 5.682 3.444 4.021 1.00 0.00 H new HETATM 0 H32 1PT A 13 3.462 1.309 3.715 1.00 0.00 H new HETATM 0 H31 1PT A 13 5.173 1.039 3.454 1.00 0.00 H new HETATM 0 H2 1PT A 13 5.195 2.632 1.675 1.00 0.00 H new HETATM 0 H1 1PT A 13 2.167 2.820 2.169 1.00 0.00 H new