USER MOD reduce.3.24.130724 H: found=0, std=0, add=240, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 240 hydrogens (58 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 -29:sc= 0.00343 USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 8 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -8.567 -18.363 -4.717 1.00 0.00 O ATOM 2 C5' DC A 1 -8.467 -17.011 -4.322 1.00 0.00 C ATOM 3 C4' DC A 1 -8.175 -16.918 -2.820 1.00 0.00 C ATOM 4 O4' DC A 1 -6.903 -17.507 -2.592 1.00 0.00 O ATOM 5 C3' DC A 1 -8.108 -15.458 -2.349 1.00 0.00 C ATOM 6 O3' DC A 1 -8.974 -15.318 -1.239 1.00 0.00 O ATOM 7 C2' DC A 1 -6.638 -15.283 -1.983 1.00 0.00 C ATOM 8 C1' DC A 1 -6.168 -16.695 -1.694 1.00 0.00 C ATOM 9 N1 DC A 1 -4.718 -16.777 -2.014 1.00 0.00 N ATOM 10 C2 DC A 1 -3.806 -16.429 -1.017 1.00 0.00 C ATOM 11 O2 DC A 1 -4.176 -16.197 0.132 1.00 0.00 O ATOM 12 N3 DC A 1 -2.486 -16.345 -1.346 1.00 0.00 N ATOM 13 C4 DC A 1 -2.064 -16.562 -2.601 1.00 0.00 C ATOM 14 N4 DC A 1 -0.763 -16.421 -2.872 1.00 0.00 N ATOM 15 C5 DC A 1 -2.990 -16.862 -3.655 1.00 0.00 C ATOM 16 C6 DC A 1 -4.299 -16.948 -3.314 1.00 0.00 C ATOM 0 H5' DC A 1 -9.395 -16.488 -4.552 1.00 0.00 H new ATOM 0 H5'' DC A 1 -7.675 -16.518 -4.885 1.00 0.00 H new ATOM 0 H4' DC A 1 -8.972 -17.424 -2.275 1.00 0.00 H new ATOM 0 H3' DC A 1 -8.421 -14.710 -3.077 1.00 0.00 H new ATOM 0 H2' DC A 1 -6.073 -14.832 -2.799 1.00 0.00 H new ATOM 0 H2'' DC A 1 -6.516 -14.635 -1.115 1.00 0.00 H new ATOM 0 HO5' DC A 1 -8.010 -18.917 -4.131 1.00 0.00 H new ATOM 0 H1' DC A 1 -6.314 -16.997 -0.657 1.00 0.00 H new ATOM 0 H41 DC A 1 -0.419 -16.581 -3.819 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.114 -16.154 -2.132 1.00 0.00 H new ATOM 0 H5 DC A 1 -2.660 -17.012 -4.672 1.00 0.00 H new ATOM 0 H6 DC A 1 -5.031 -17.156 -4.081 1.00 0.00 H new ATOM 29 P DG A 2 -9.243 -13.896 -0.528 1.00 0.00 P ATOM 30 OP1 DG A 2 -10.431 -14.036 0.344 1.00 0.00 O ATOM 31 OP2 DG A 2 -9.211 -12.835 -1.559 1.00 0.00 O ATOM 32 O5' DG A 2 -7.948 -13.724 0.412 1.00 0.00 O ATOM 33 C5' DG A 2 -7.534 -14.743 1.300 1.00 0.00 C ATOM 34 C4' DG A 2 -6.912 -14.149 2.574 1.00 0.00 C ATOM 35 O4' DG A 2 -5.579 -13.782 2.251 1.00 0.00 O ATOM 36 C3' DG A 2 -7.628 -12.891 3.075 1.00 0.00 C ATOM 37 O3' DG A 2 -7.487 -12.832 4.488 1.00 0.00 O ATOM 38 C2' DG A 2 -6.819 -11.809 2.371 1.00 0.00 C ATOM 39 C1' DG A 2 -5.403 -12.391 2.445 1.00 0.00 C ATOM 40 N9 DG A 2 -4.487 -11.975 1.348 1.00 0.00 N ATOM 41 C8 DG A 2 -4.741 -11.894 -0.005 1.00 0.00 C ATOM 42 N7 DG A 2 -3.696 -11.615 -0.732 1.00 0.00 N ATOM 43 C5 DG A 2 -2.663 -11.512 0.189 1.00 0.00 C ATOM 44 C6 DG A 2 -1.274 -11.252 -0.023 1.00 0.00 C ATOM 45 O6 DG A 2 -0.692 -11.067 -1.088 1.00 0.00 O ATOM 46 N1 DG A 2 -0.550 -11.219 1.164 1.00 0.00 N ATOM 47 C2 DG A 2 -1.092 -11.452 2.414 1.00 0.00 C ATOM 48 N2 DG A 2 -0.259 -11.380 3.456 1.00 0.00 N ATOM 49 N3 DG A 2 -2.392 -11.735 2.610 1.00 0.00 N ATOM 50 C4 DG A 2 -3.129 -11.742 1.463 1.00 0.00 C ATOM 0 H5' DG A 2 -6.809 -15.389 0.805 1.00 0.00 H new ATOM 0 H5'' DG A 2 -8.387 -15.367 1.565 1.00 0.00 H new ATOM 0 H4' DG A 2 -6.984 -14.898 3.362 1.00 0.00 H new ATOM 0 H3' DG A 2 -8.697 -12.823 2.875 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.146 -11.655 1.343 1.00 0.00 H new ATOM 0 H2'' DG A 2 -6.894 -10.846 2.877 1.00 0.00 H new ATOM 0 H1' DG A 2 -4.962 -12.061 3.385 1.00 0.00 H new ATOM 0 H8 DG A 2 -5.723 -12.049 -0.427 1.00 0.00 H new ATOM 0 H1 DG A 2 0.447 -11.009 1.108 1.00 0.00 H new ATOM 0 H21 DG A 2 -0.608 -11.544 4.400 1.00 0.00 H new ATOM 0 H22 DG A 2 0.726 -11.162 3.307 1.00 0.00 H new ATOM 62 P DC A 3 -8.008 -11.580 5.376 1.00 0.00 P ATOM 63 OP1 DC A 3 -8.228 -12.059 6.759 1.00 0.00 O ATOM 64 OP2 DC A 3 -9.112 -10.916 4.647 1.00 0.00 O ATOM 65 O5' DC A 3 -6.737 -10.579 5.384 1.00 0.00 O ATOM 66 C5' DC A 3 -5.549 -10.919 6.074 1.00 0.00 C ATOM 67 C4' DC A 3 -4.432 -9.888 5.863 1.00 0.00 C ATOM 68 O4' DC A 3 -4.031 -10.055 4.522 1.00 0.00 O ATOM 69 C3' DC A 3 -4.807 -8.397 5.997 1.00 0.00 C ATOM 70 O3' DC A 3 -4.394 -7.825 7.226 1.00 0.00 O ATOM 71 C2' DC A 3 -4.080 -7.764 4.809 1.00 0.00 C ATOM 72 C1' DC A 3 -3.277 -8.914 4.218 1.00 0.00 C ATOM 73 N1 DC A 3 -3.184 -8.747 2.760 1.00 0.00 N ATOM 74 C2 DC A 3 -2.003 -8.269 2.206 1.00 0.00 C ATOM 75 O2 DC A 3 -0.986 -8.149 2.883 1.00 0.00 O ATOM 76 N3 DC A 3 -1.996 -7.933 0.886 1.00 0.00 N ATOM 77 C4 DC A 3 -3.114 -7.983 0.151 1.00 0.00 C ATOM 78 N4 DC A 3 -3.018 -7.761 -1.163 1.00 0.00 N ATOM 79 C5 DC A 3 -4.363 -8.350 0.757 1.00 0.00 C ATOM 80 C6 DC A 3 -4.330 -8.756 2.027 1.00 0.00 C ATOM 0 H5' DC A 3 -5.205 -11.897 5.738 1.00 0.00 H new ATOM 0 H5'' DC A 3 -5.763 -11.005 7.139 1.00 0.00 H new ATOM 0 H4' DC A 3 -3.695 -10.077 6.644 1.00 0.00 H new ATOM 0 H3' DC A 3 -5.885 -8.238 5.993 1.00 0.00 H new ATOM 0 H2' DC A 3 -4.782 -7.352 4.084 1.00 0.00 H new ATOM 0 H2'' DC A 3 -3.433 -6.946 5.126 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.261 -8.969 4.609 1.00 0.00 H new ATOM 0 H41 DC A 3 -3.853 -7.793 -1.748 1.00 0.00 H new ATOM 0 H42 DC A 3 -2.110 -7.560 -1.581 1.00 0.00 H new ATOM 0 H5 DC A 3 -5.291 -8.299 0.207 1.00 0.00 H new ATOM 0 H6 DC A 3 -5.243 -9.103 2.488 1.00 0.00 H new ATOM 92 P DT A 4 -4.907 -6.360 7.709 1.00 0.00 P ATOM 93 OP1 DT A 4 -4.667 -6.274 9.166 1.00 0.00 O ATOM 94 OP2 DT A 4 -6.275 -6.144 7.185 1.00 0.00 O ATOM 95 O5' DT A 4 -3.939 -5.283 6.986 1.00 0.00 O ATOM 96 C5' DT A 4 -3.845 -3.951 7.470 1.00 0.00 C ATOM 97 C4' DT A 4 -2.803 -3.129 6.702 1.00 0.00 C ATOM 98 O4' DT A 4 -3.203 -3.009 5.357 1.00 0.00 O ATOM 99 C3' DT A 4 -2.675 -1.688 7.224 1.00 0.00 C ATOM 100 O3' DT A 4 -1.426 -1.549 7.881 1.00 0.00 O ATOM 101 C2' DT A 4 -2.775 -0.828 5.955 1.00 0.00 C ATOM 102 C1' DT A 4 -2.558 -1.861 4.858 1.00 0.00 C ATOM 103 N1 DT A 4 -3.182 -1.509 3.556 1.00 0.00 N ATOM 104 C2 DT A 4 -2.335 -1.278 2.476 1.00 0.00 C ATOM 105 O2 DT A 4 -1.122 -1.132 2.594 1.00 0.00 O ATOM 106 N3 DT A 4 -2.937 -1.218 1.231 1.00 0.00 N ATOM 107 C4 DT A 4 -4.289 -1.339 0.965 1.00 0.00 C ATOM 108 O4 DT A 4 -4.687 -1.317 -0.197 1.00 0.00 O ATOM 109 C5 DT A 4 -5.116 -1.485 2.151 1.00 0.00 C ATOM 110 C7 DT A 4 -6.622 -1.571 2.007 1.00 0.00 C ATOM 111 C6 DT A 4 -4.547 -1.561 3.381 1.00 0.00 C ATOM 0 H5' DT A 4 -3.584 -3.968 8.528 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.818 -3.467 7.390 1.00 0.00 H new ATOM 0 H4' DT A 4 -1.855 -3.652 6.826 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.434 -1.399 7.951 1.00 0.00 H new ATOM 0 H2' DT A 4 -3.745 -0.338 5.869 1.00 0.00 H new ATOM 0 H2'' DT A 4 -2.019 -0.043 5.933 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.493 -1.966 4.651 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.323 -1.070 0.430 1.00 0.00 H new ATOM 0 H71 DT A 4 -7.031 -2.177 2.816 1.00 0.00 H new ATOM 0 H72 DT A 4 -7.050 -0.569 2.052 1.00 0.00 H new ATOM 0 H73 DT A 4 -6.870 -2.029 1.049 1.00 0.00 H new ATOM 0 H6 DT A 4 -5.183 -1.665 4.248 1.00 0.00 H new ATOM 124 P DA A 5 -0.985 -0.181 8.621 1.00 0.00 P ATOM 125 OP1 DA A 5 -0.046 -0.530 9.710 1.00 0.00 O ATOM 126 OP2 DA A 5 -2.205 0.598 8.928 1.00 0.00 O ATOM 127 O5' DA A 5 -0.164 0.614 7.480 1.00 0.00 O ATOM 128 C5' DA A 5 1.132 0.214 7.085 1.00 0.00 C ATOM 129 C4' DA A 5 1.836 1.125 6.093 1.00 0.00 C ATOM 130 O4' DA A 5 1.096 1.105 4.878 1.00 0.00 O ATOM 131 C3' DA A 5 1.807 2.521 6.698 1.00 0.00 C ATOM 132 O3' DA A 5 2.899 3.316 6.303 1.00 0.00 O ATOM 133 C2' DA A 5 0.566 3.024 6.007 1.00 0.00 C ATOM 134 C1' DA A 5 0.628 2.409 4.610 1.00 0.00 C ATOM 135 N9 DA A 5 -0.712 2.272 3.975 1.00 0.00 N ATOM 136 C8 DA A 5 -1.988 2.428 4.479 1.00 0.00 C ATOM 137 N7 DA A 5 -2.939 2.320 3.592 1.00 0.00 N ATOM 138 C5 DA A 5 -2.257 2.054 2.416 1.00 0.00 C ATOM 139 C6 DA A 5 -2.666 1.859 1.080 1.00 0.00 C ATOM 140 N6 DA A 5 -3.934 1.917 0.657 1.00 0.00 N ATOM 141 N1 DA A 5 -1.721 1.584 0.170 1.00 0.00 N ATOM 142 C2 DA A 5 -0.450 1.516 0.546 1.00 0.00 C ATOM 143 N3 DA A 5 0.066 1.691 1.752 1.00 0.00 N ATOM 144 C4 DA A 5 -0.906 1.973 2.655 1.00 0.00 C ATOM 0 H5' DA A 5 1.066 -0.783 6.649 1.00 0.00 H new ATOM 0 H5'' DA A 5 1.753 0.132 7.977 1.00 0.00 H new ATOM 0 H4' DA A 5 2.861 0.814 5.892 1.00 0.00 H new ATOM 0 H3' DA A 5 1.834 2.539 7.788 1.00 0.00 H new ATOM 0 H2' DA A 5 -0.335 2.715 6.536 1.00 0.00 H new ATOM 0 H2'' DA A 5 0.552 4.113 5.961 1.00 0.00 H new ATOM 0 H1' DA A 5 1.232 3.018 3.937 1.00 0.00 H new ATOM 0 H8 DA A 5 -2.183 2.624 5.523 1.00 0.00 H new ATOM 0 H61 DA A 5 -4.151 1.764 -0.328 1.00 0.00 H new ATOM 0 H62 DA A 5 -4.684 2.114 1.320 1.00 0.00 H new ATOM 0 H2 DA A 5 0.258 1.287 -0.237 1.00 0.00 H new ATOM 156 P DG A 6 4.405 3.174 6.892 1.00 0.00 P ATOM 157 OP1 DG A 6 4.981 1.892 6.427 1.00 0.00 O ATOM 158 OP2 DG A 6 4.390 3.509 8.332 1.00 0.00 O ATOM 159 O5' DG A 6 5.117 4.380 6.076 1.00 0.00 O ATOM 160 C5' DG A 6 4.474 4.848 4.911 1.00 0.00 C ATOM 161 C4' DG A 6 5.236 5.743 3.938 1.00 0.00 C ATOM 162 O4' DG A 6 4.208 6.253 3.113 1.00 0.00 O ATOM 163 C3' DG A 6 5.853 6.933 4.672 1.00 0.00 C ATOM 164 O3' DG A 6 6.818 7.679 3.950 1.00 0.00 O ATOM 165 C2' DG A 6 4.654 7.857 4.771 1.00 0.00 C ATOM 166 C1' DG A 6 4.087 7.632 3.369 1.00 0.00 C ATOM 167 N9 DG A 6 2.684 8.049 3.167 1.00 0.00 N ATOM 168 C8 DG A 6 1.746 8.514 4.056 1.00 0.00 C ATOM 169 N7 DG A 6 0.579 8.743 3.521 1.00 0.00 N ATOM 170 C5 DG A 6 0.746 8.392 2.184 1.00 0.00 C ATOM 171 C6 DG A 6 -0.199 8.318 1.118 1.00 0.00 C ATOM 172 O6 DG A 6 -1.398 8.583 1.143 1.00 0.00 O ATOM 173 N1 DG A 6 0.381 7.877 -0.069 1.00 0.00 N ATOM 174 C2 DG A 6 1.698 7.483 -0.206 1.00 0.00 C ATOM 175 N2 DG A 6 2.106 7.069 -1.407 1.00 0.00 N ATOM 176 N3 DG A 6 2.571 7.504 0.807 1.00 0.00 N ATOM 177 C4 DG A 6 2.036 7.974 1.964 1.00 0.00 C ATOM 0 H5' DG A 6 3.584 5.392 5.226 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.134 3.975 4.353 1.00 0.00 H new ATOM 0 H4' DG A 6 6.032 5.208 3.421 1.00 0.00 H new ATOM 0 H3' DG A 6 6.354 6.585 5.575 1.00 0.00 H new ATOM 0 H2' DG A 6 3.960 7.568 5.561 1.00 0.00 H new ATOM 0 H2'' DG A 6 4.932 8.895 4.955 1.00 0.00 H new ATOM 0 H1' DG A 6 4.652 8.263 2.683 1.00 0.00 H new ATOM 0 H8 DG A 6 1.956 8.675 5.103 1.00 0.00 H new ATOM 0 H1 DG A 6 -0.211 7.842 -0.899 1.00 0.00 H new ATOM 0 H21 DG A 6 3.072 6.771 -1.543 1.00 0.00 H new ATOM 0 H22 DG A 6 1.452 7.050 -2.189 1.00 0.00 H new ATOM 189 P DC A 7 8.219 7.111 3.395 1.00 0.00 P ATOM 190 OP1 DC A 7 8.238 5.631 3.440 1.00 0.00 O ATOM 191 OP2 DC A 7 9.310 7.884 4.027 1.00 0.00 O ATOM 192 O5' DC A 7 8.072 7.595 1.864 1.00 0.00 O ATOM 193 C5' DC A 7 7.410 6.816 0.884 1.00 0.00 C ATOM 194 C4' DC A 7 6.785 7.696 -0.210 1.00 0.00 C ATOM 195 O4' DC A 7 5.545 8.201 0.281 1.00 0.00 O ATOM 196 C3' DC A 7 7.643 8.916 -0.607 1.00 0.00 C ATOM 197 O3' DC A 7 7.674 8.993 -2.028 1.00 0.00 O ATOM 198 C2' DC A 7 6.821 10.042 0.033 1.00 0.00 C ATOM 199 C1' DC A 7 5.419 9.510 -0.226 1.00 0.00 C ATOM 200 N1 DC A 7 4.274 10.263 0.384 1.00 0.00 N ATOM 201 C2 DC A 7 3.093 10.374 -0.366 1.00 0.00 C ATOM 202 O2 DC A 7 3.029 10.013 -1.540 1.00 0.00 O ATOM 203 N3 DC A 7 1.984 10.896 0.225 1.00 0.00 N ATOM 204 C4 DC A 7 2.022 11.372 1.475 1.00 0.00 C ATOM 205 N4 DC A 7 0.893 11.854 2.005 1.00 0.00 N ATOM 206 C5 DC A 7 3.247 11.391 2.221 1.00 0.00 C ATOM 207 C6 DC A 7 4.338 10.834 1.639 1.00 0.00 C ATOM 0 H5' DC A 7 6.633 6.217 1.358 1.00 0.00 H new ATOM 0 H5'' DC A 7 8.117 6.120 0.432 1.00 0.00 H new ATOM 0 H4' DC A 7 6.682 7.064 -1.092 1.00 0.00 H new ATOM 0 H3' DC A 7 8.686 8.918 -0.291 1.00 0.00 H new ATOM 0 H2' DC A 7 7.033 10.163 1.095 1.00 0.00 H new ATOM 0 H2'' DC A 7 6.996 11.009 -0.439 1.00 0.00 H new ATOM 0 H1' DC A 7 5.142 9.597 -1.277 1.00 0.00 H new ATOM 0 H41 DC A 7 0.893 12.223 2.956 1.00 0.00 H new ATOM 0 H42 DC A 7 0.032 11.853 1.458 1.00 0.00 H new ATOM 0 H5 DC A 7 3.298 11.831 3.206 1.00 0.00 H new ATOM 0 H6 DC A 7 5.279 10.837 2.170 1.00 0.00 H new ATOM 219 P DG A 8 8.568 10.076 -2.842 1.00 0.00 P ATOM 220 OP1 DG A 8 9.628 9.344 -3.567 1.00 0.00 O ATOM 221 OP2 DG A 8 8.935 11.178 -1.926 1.00 0.00 O ATOM 222 O5' DG A 8 7.521 10.660 -3.932 1.00 0.00 O ATOM 223 C5' DG A 8 6.202 11.005 -3.555 1.00 0.00 C ATOM 224 C4' DG A 8 5.726 12.332 -4.095 1.00 0.00 C ATOM 225 O4' DG A 8 4.467 12.396 -3.475 1.00 0.00 O ATOM 226 C3' DG A 8 6.465 13.561 -3.582 1.00 0.00 C ATOM 227 O3' DG A 8 7.463 13.989 -4.484 1.00 0.00 O ATOM 228 C2' DG A 8 5.320 14.576 -3.500 1.00 0.00 C ATOM 229 C1' DG A 8 4.049 13.718 -3.567 1.00 0.00 C ATOM 230 N9 DG A 8 3.178 13.912 -2.389 1.00 0.00 N ATOM 231 C8 DG A 8 3.515 13.747 -1.070 1.00 0.00 C ATOM 232 N7 DG A 8 2.534 13.953 -0.240 1.00 0.00 N ATOM 233 C5 DG A 8 1.460 14.263 -1.067 1.00 0.00 C ATOM 234 C6 DG A 8 0.107 14.562 -0.732 1.00 0.00 C ATOM 235 O6 DG A 8 -0.412 14.576 0.381 1.00 0.00 O ATOM 236 N1 DG A 8 -0.660 14.869 -1.853 1.00 0.00 N ATOM 237 C2 DG A 8 -0.193 14.847 -3.154 1.00 0.00 C ATOM 238 N2 DG A 8 -1.067 15.141 -4.121 1.00 0.00 N ATOM 239 N3 DG A 8 1.077 14.540 -3.472 1.00 0.00 N ATOM 240 C4 DG A 8 1.850 14.263 -2.386 1.00 0.00 C ATOM 0 H5' DG A 8 6.142 11.027 -2.467 1.00 0.00 H new ATOM 0 H5'' DG A 8 5.523 10.223 -3.896 1.00 0.00 H new ATOM 0 H4' DG A 8 5.817 12.357 -5.181 1.00 0.00 H new ATOM 0 H3' DG A 8 6.999 13.400 -2.645 1.00 0.00 H new ATOM 0 H2' DG A 8 5.364 15.151 -2.575 1.00 0.00 H new ATOM 0 H2'' DG A 8 5.362 15.290 -4.322 1.00 0.00 H new ATOM 0 HO3' DG A 8 7.914 14.780 -4.122 1.00 0.00 H new ATOM 0 H1' DG A 8 3.508 13.980 -4.476 1.00 0.00 H new ATOM 0 H8 DG A 8 4.508 13.470 -0.748 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.635 15.128 -1.704 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.769 15.138 -5.096 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.033 15.369 -3.884 1.00 0.00 H new TER 253 DG A 8 ATOM 254 O5' DC B 1 -9.503 19.193 -1.148 1.00 0.00 O ATOM 255 C5' DC B 1 -9.310 17.812 -1.364 1.00 0.00 C ATOM 256 C4' DC B 1 -8.319 17.585 -2.513 1.00 0.00 C ATOM 257 O4' DC B 1 -7.066 18.111 -2.107 1.00 0.00 O ATOM 258 C3' DC B 1 -8.131 16.089 -2.799 1.00 0.00 C ATOM 259 O3' DC B 1 -8.350 15.871 -4.179 1.00 0.00 O ATOM 260 C2' DC B 1 -6.685 15.841 -2.381 1.00 0.00 C ATOM 261 C1' DC B 1 -6.040 17.210 -2.480 1.00 0.00 C ATOM 262 N1 DC B 1 -4.928 17.274 -1.494 1.00 0.00 N ATOM 263 C2 DC B 1 -3.669 16.826 -1.895 1.00 0.00 C ATOM 264 O2 DC B 1 -3.445 16.517 -3.064 1.00 0.00 O ATOM 265 N3 DC B 1 -2.683 16.734 -0.957 1.00 0.00 N ATOM 266 C4 DC B 1 -2.914 17.038 0.328 1.00 0.00 C ATOM 267 N4 DC B 1 -1.921 16.889 1.211 1.00 0.00 N ATOM 268 C5 DC B 1 -4.216 17.444 0.775 1.00 0.00 C ATOM 269 C6 DC B 1 -5.185 17.538 -0.168 1.00 0.00 C ATOM 0 H5' DC B 1 -10.263 17.337 -1.598 1.00 0.00 H new ATOM 0 H5'' DC B 1 -8.935 17.344 -0.454 1.00 0.00 H new ATOM 0 H4' DC B 1 -8.701 18.068 -3.412 1.00 0.00 H new ATOM 0 H3' DC B 1 -8.813 15.420 -2.275 1.00 0.00 H new ATOM 0 H2' DC B 1 -6.624 15.442 -1.368 1.00 0.00 H new ATOM 0 H2'' DC B 1 -6.197 15.120 -3.037 1.00 0.00 H new ATOM 0 HO5' DC B 1 -10.138 19.324 -0.413 1.00 0.00 H new ATOM 0 H1' DC B 1 -5.639 17.432 -3.469 1.00 0.00 H new ATOM 0 H41 DC B 1 -2.074 17.114 2.194 1.00 0.00 H new ATOM 0 H42 DC B 1 -1.010 16.550 0.902 1.00 0.00 H new ATOM 0 H5 DC B 1 -4.414 17.664 1.814 1.00 0.00 H new ATOM 0 H6 DC B 1 -6.183 17.827 0.128 1.00 0.00 H new ATOM 282 P DG B 2 -8.333 14.396 -4.834 1.00 0.00 P ATOM 283 OP1 DG B 2 -8.933 14.487 -6.184 1.00 0.00 O ATOM 284 OP2 DG B 2 -8.879 13.434 -3.851 1.00 0.00 O ATOM 285 O5' DG B 2 -6.758 14.104 -5.004 1.00 0.00 O ATOM 286 C5' DG B 2 -5.896 15.036 -5.626 1.00 0.00 C ATOM 287 C4' DG B 2 -4.738 14.327 -6.347 1.00 0.00 C ATOM 288 O4' DG B 2 -3.790 13.977 -5.351 1.00 0.00 O ATOM 289 C3' DG B 2 -5.159 13.039 -7.062 1.00 0.00 C ATOM 290 O3' DG B 2 -4.317 12.865 -8.194 1.00 0.00 O ATOM 291 C2' DG B 2 -4.878 12.010 -5.974 1.00 0.00 C ATOM 292 C1' DG B 2 -3.600 12.575 -5.347 1.00 0.00 C ATOM 293 N9 DG B 2 -3.388 12.223 -3.917 1.00 0.00 N ATOM 294 C8 DG B 2 -4.293 12.247 -2.877 1.00 0.00 C ATOM 295 N7 DG B 2 -3.775 11.986 -1.710 1.00 0.00 N ATOM 296 C5 DG B 2 -2.428 11.780 -1.977 1.00 0.00 C ATOM 297 C6 DG B 2 -1.354 11.473 -1.086 1.00 0.00 C ATOM 298 O6 DG B 2 -1.391 11.351 0.136 1.00 0.00 O ATOM 299 N1 DG B 2 -0.144 11.306 -1.750 1.00 0.00 N ATOM 300 C2 DG B 2 0.030 11.472 -3.110 1.00 0.00 C ATOM 301 N2 DG B 2 1.257 11.256 -3.595 1.00 0.00 N ATOM 302 N3 DG B 2 -0.970 11.808 -3.942 1.00 0.00 N ATOM 303 C4 DG B 2 -2.177 11.935 -3.321 1.00 0.00 C ATOM 0 H5' DG B 2 -5.497 15.722 -4.878 1.00 0.00 H new ATOM 0 H5'' DG B 2 -6.460 15.636 -6.340 1.00 0.00 H new ATOM 0 H4' DG B 2 -4.349 15.004 -7.108 1.00 0.00 H new ATOM 0 H3' DG B 2 -6.182 12.997 -7.436 1.00 0.00 H new ATOM 0 H2' DG B 2 -5.693 11.941 -5.254 1.00 0.00 H new ATOM 0 H2'' DG B 2 -4.728 11.011 -6.383 1.00 0.00 H new ATOM 0 H1' DG B 2 -2.754 12.180 -5.909 1.00 0.00 H new ATOM 0 H8 DG B 2 -5.342 12.464 -3.018 1.00 0.00 H new ATOM 0 H1 DG B 2 0.670 11.043 -1.195 1.00 0.00 H new ATOM 0 H21 DG B 2 1.437 11.365 -4.593 1.00 0.00 H new ATOM 0 H22 DG B 2 2.013 10.982 -2.967 1.00 0.00 H new ATOM 315 P DC B 3 -4.357 11.544 -9.133 1.00 0.00 P ATOM 316 OP1 DC B 3 -3.834 11.915 -10.467 1.00 0.00 O ATOM 317 OP2 DC B 3 -5.696 10.927 -9.017 1.00 0.00 O ATOM 318 O5' DC B 3 -3.284 10.559 -8.428 1.00 0.00 O ATOM 319 C5' DC B 3 -1.903 10.868 -8.430 1.00 0.00 C ATOM 320 C4' DC B 3 -1.077 9.866 -7.613 1.00 0.00 C ATOM 321 O4' DC B 3 -1.459 10.073 -6.273 1.00 0.00 O ATOM 322 C3' DC B 3 -1.314 8.368 -7.891 1.00 0.00 C ATOM 323 O3' DC B 3 -0.247 7.789 -8.622 1.00 0.00 O ATOM 324 C2' DC B 3 -1.433 7.781 -6.482 1.00 0.00 C ATOM 325 C1' DC B 3 -1.014 8.936 -5.585 1.00 0.00 C ATOM 326 N1 DC B 3 -1.696 8.826 -4.286 1.00 0.00 N ATOM 327 C2 DC B 3 -0.995 8.357 -3.179 1.00 0.00 C ATOM 328 O2 DC B 3 0.213 8.148 -3.229 1.00 0.00 O ATOM 329 N3 DC B 3 -1.688 8.134 -2.027 1.00 0.00 N ATOM 330 C4 DC B 3 -3.019 8.278 -1.974 1.00 0.00 C ATOM 331 N4 DC B 3 -3.623 8.168 -0.789 1.00 0.00 N ATOM 332 C5 DC B 3 -3.755 8.621 -3.157 1.00 0.00 C ATOM 333 C6 DC B 3 -3.053 8.919 -4.252 1.00 0.00 C ATOM 0 H5' DC B 3 -1.757 11.870 -8.026 1.00 0.00 H new ATOM 0 H5'' DC B 3 -1.538 10.883 -9.457 1.00 0.00 H new ATOM 0 H4' DC B 3 -0.034 10.052 -7.871 1.00 0.00 H new ATOM 0 H3' DC B 3 -2.191 8.178 -8.510 1.00 0.00 H new ATOM 0 H2' DC B 3 -2.450 7.454 -6.267 1.00 0.00 H new ATOM 0 H2'' DC B 3 -0.785 6.914 -6.351 1.00 0.00 H new ATOM 0 H1' DC B 3 0.057 8.959 -5.385 1.00 0.00 H new ATOM 0 H41 DC B 3 -4.635 8.273 -0.721 1.00 0.00 H new ATOM 0 H42 DC B 3 -3.072 7.979 0.048 1.00 0.00 H new ATOM 0 H5 DC B 3 -4.835 8.637 -3.161 1.00 0.00 H new ATOM 0 H6 DC B 3 -3.578 9.244 -5.138 1.00 0.00 H new ATOM 345 P DT B 4 -0.332 6.284 -9.220 1.00 0.00 P ATOM 346 OP1 DT B 4 0.507 6.243 -10.439 1.00 0.00 O ATOM 347 OP2 DT B 4 -1.755 5.885 -9.303 1.00 0.00 O ATOM 348 O5' DT B 4 0.370 5.346 -8.109 1.00 0.00 O ATOM 349 C5' DT B 4 0.730 4.010 -8.419 1.00 0.00 C ATOM 350 C4' DT B 4 1.334 3.313 -7.196 1.00 0.00 C ATOM 351 O4' DT B 4 0.306 3.164 -6.238 1.00 0.00 O ATOM 352 C3' DT B 4 1.835 1.893 -7.517 1.00 0.00 C ATOM 353 O3' DT B 4 3.242 1.844 -7.335 1.00 0.00 O ATOM 354 C2' DT B 4 1.089 1.009 -6.511 1.00 0.00 C ATOM 355 C1' DT B 4 0.636 2.028 -5.474 1.00 0.00 C ATOM 356 N1 DT B 4 -0.575 1.618 -4.713 1.00 0.00 N ATOM 357 C2 DT B 4 -0.445 1.451 -3.340 1.00 0.00 C ATOM 358 O2 DT B 4 0.638 1.416 -2.761 1.00 0.00 O ATOM 359 N3 DT B 4 -1.627 1.321 -2.631 1.00 0.00 N ATOM 360 C4 DT B 4 -2.911 1.352 -3.144 1.00 0.00 C ATOM 361 O4 DT B 4 -3.877 1.321 -2.383 1.00 0.00 O ATOM 362 C5 DT B 4 -2.958 1.420 -4.594 1.00 0.00 C ATOM 363 C7 DT B 4 -4.302 1.390 -5.294 1.00 0.00 C ATOM 364 C6 DT B 4 -1.813 1.545 -5.315 1.00 0.00 C ATOM 0 H5' DT B 4 1.448 4.003 -9.239 1.00 0.00 H new ATOM 0 H5'' DT B 4 -0.148 3.461 -8.759 1.00 0.00 H new ATOM 0 H4' DT B 4 2.173 3.916 -6.849 1.00 0.00 H new ATOM 0 H3' DT B 4 1.650 1.572 -8.542 1.00 0.00 H new ATOM 0 H2' DT B 4 0.247 0.490 -6.969 1.00 0.00 H new ATOM 0 H2'' DT B 4 1.736 0.246 -6.079 1.00 0.00 H new ATOM 0 H1' DT B 4 1.420 2.172 -4.731 1.00 0.00 H new ATOM 0 H3 DT B 4 -1.542 1.188 -1.623 1.00 0.00 H new ATOM 0 H71 DT B 4 -4.240 1.953 -6.225 1.00 0.00 H new ATOM 0 H72 DT B 4 -4.576 0.358 -5.512 1.00 0.00 H new ATOM 0 H73 DT B 4 -5.058 1.838 -4.649 1.00 0.00 H new ATOM 0 H6 DT B 4 -1.875 1.588 -6.392 1.00 0.00 H new ATOM 377 P DA B 5 4.118 0.531 -7.697 1.00 0.00 P ATOM 378 OP1 DA B 5 5.460 0.981 -8.127 1.00 0.00 O ATOM 379 OP2 DA B 5 3.316 -0.330 -8.593 1.00 0.00 O ATOM 380 O5' DA B 5 4.270 -0.237 -6.283 1.00 0.00 O ATOM 381 C5' DA B 5 5.196 0.185 -5.301 1.00 0.00 C ATOM 382 C4' DA B 5 5.253 -0.652 -4.030 1.00 0.00 C ATOM 383 O4' DA B 5 3.962 -0.600 -3.436 1.00 0.00 O ATOM 384 C3' DA B 5 5.569 -2.089 -4.426 1.00 0.00 C ATOM 385 O3' DA B 5 6.192 -2.831 -3.396 1.00 0.00 O ATOM 386 C2' DA B 5 4.152 -2.587 -4.562 1.00 0.00 C ATOM 387 C1' DA B 5 3.465 -1.919 -3.376 1.00 0.00 C ATOM 388 N9 DA B 5 1.989 -1.879 -3.483 1.00 0.00 N ATOM 389 C8 DA B 5 1.157 -2.076 -4.561 1.00 0.00 C ATOM 390 N7 DA B 5 -0.114 -2.050 -4.271 1.00 0.00 N ATOM 391 C5 DA B 5 -0.131 -1.814 -2.903 1.00 0.00 C ATOM 392 C6 DA B 5 -1.170 -1.687 -1.958 1.00 0.00 C ATOM 393 N6 DA B 5 -2.466 -1.796 -2.268 1.00 0.00 N ATOM 394 N1 DA B 5 -0.833 -1.424 -0.683 1.00 0.00 N ATOM 395 C2 DA B 5 0.452 -1.316 -0.356 1.00 0.00 C ATOM 396 N3 DA B 5 1.517 -1.428 -1.138 1.00 0.00 N ATOM 397 C4 DA B 5 1.147 -1.684 -2.421 1.00 0.00 C ATOM 0 H5' DA B 5 4.959 1.212 -5.025 1.00 0.00 H new ATOM 0 H5'' DA B 5 6.190 0.197 -5.749 1.00 0.00 H new ATOM 0 H4' DA B 5 6.010 -0.286 -3.336 1.00 0.00 H new ATOM 0 H3' DA B 5 6.241 -2.173 -5.280 1.00 0.00 H new ATOM 0 H2' DA B 5 3.705 -2.292 -5.511 1.00 0.00 H new ATOM 0 H2'' DA B 5 4.095 -3.674 -4.507 1.00 0.00 H new ATOM 0 H1' DA B 5 3.666 -2.461 -2.452 1.00 0.00 H new ATOM 0 H8 DA B 5 1.526 -2.238 -5.563 1.00 0.00 H new ATOM 0 H61 DA B 5 -3.174 -1.695 -1.541 1.00 0.00 H new ATOM 0 H62 DA B 5 -2.746 -1.981 -3.231 1.00 0.00 H new ATOM 0 H2 DA B 5 0.655 -1.110 0.685 1.00 0.00 H new ATOM 409 P DG B 6 7.730 -2.627 -2.925 1.00 0.00 P ATOM 410 OP1 DG B 6 7.791 -1.443 -2.040 1.00 0.00 O ATOM 411 OP2 DG B 6 8.606 -2.716 -4.113 1.00 0.00 O ATOM 412 O5' DG B 6 7.950 -3.953 -2.016 1.00 0.00 O ATOM 413 C5' DG B 6 6.848 -4.470 -1.298 1.00 0.00 C ATOM 414 C4' DG B 6 7.088 -5.595 -0.285 1.00 0.00 C ATOM 415 O4' DG B 6 5.798 -6.155 -0.101 1.00 0.00 O ATOM 416 C3' DG B 6 7.962 -6.701 -0.875 1.00 0.00 C ATOM 417 O3' DG B 6 8.488 -7.653 0.035 1.00 0.00 O ATOM 418 C2' DG B 6 6.936 -7.482 -1.672 1.00 0.00 C ATOM 419 C1' DG B 6 5.789 -7.452 -0.661 1.00 0.00 C ATOM 420 N9 DG B 6 4.449 -7.773 -1.211 1.00 0.00 N ATOM 421 C8 DG B 6 4.039 -7.971 -2.507 1.00 0.00 C ATOM 422 N7 DG B 6 2.762 -8.196 -2.644 1.00 0.00 N ATOM 423 C5 DG B 6 2.272 -8.107 -1.348 1.00 0.00 C ATOM 424 C6 DG B 6 0.926 -8.096 -0.873 1.00 0.00 C ATOM 425 O6 DG B 6 -0.109 -8.247 -1.520 1.00 0.00 O ATOM 426 N1 DG B 6 0.855 -7.875 0.500 1.00 0.00 N ATOM 427 C2 DG B 6 1.945 -7.651 1.317 1.00 0.00 C ATOM 428 N2 DG B 6 1.725 -7.413 2.613 1.00 0.00 N ATOM 429 N3 DG B 6 3.203 -7.641 0.864 1.00 0.00 N ATOM 430 C4 DG B 6 3.299 -7.861 -0.469 1.00 0.00 C ATOM 0 H5' DG B 6 6.120 -4.830 -2.025 1.00 0.00 H new ATOM 0 H5'' DG B 6 6.383 -3.640 -0.766 1.00 0.00 H new ATOM 0 H4' DG B 6 7.573 -5.218 0.615 1.00 0.00 H new ATOM 0 H3' DG B 6 8.822 -6.247 -1.367 1.00 0.00 H new ATOM 0 H2' DG B 6 6.680 -7.002 -2.616 1.00 0.00 H new ATOM 0 H2'' DG B 6 7.265 -8.494 -1.908 1.00 0.00 H new ATOM 0 H1' DG B 6 5.959 -8.240 0.073 1.00 0.00 H new ATOM 0 H8 DG B 6 4.720 -7.943 -3.345 1.00 0.00 H new ATOM 0 H1 DG B 6 -0.068 -7.879 0.933 1.00 0.00 H new ATOM 0 H21 DG B 6 2.511 -7.244 3.241 1.00 0.00 H new ATOM 0 H22 DG B 6 0.771 -7.400 2.974 1.00 0.00 H new ATOM 442 P DC B 7 9.491 -7.337 1.255 1.00 0.00 P ATOM 443 OP1 DC B 7 9.550 -5.881 1.520 1.00 0.00 O ATOM 444 OP2 DC B 7 10.736 -8.105 1.040 1.00 0.00 O ATOM 445 O5' DC B 7 8.644 -8.054 2.427 1.00 0.00 O ATOM 446 C5' DC B 7 7.587 -7.388 3.087 1.00 0.00 C ATOM 447 C4' DC B 7 6.505 -8.350 3.598 1.00 0.00 C ATOM 448 O4' DC B 7 5.623 -8.652 2.521 1.00 0.00 O ATOM 449 C3' DC B 7 7.043 -9.694 4.132 1.00 0.00 C ATOM 450 O3' DC B 7 6.420 -9.934 5.388 1.00 0.00 O ATOM 451 C2' DC B 7 6.556 -10.641 3.027 1.00 0.00 C ATOM 452 C1' DC B 7 5.219 -9.991 2.697 1.00 0.00 C ATOM 453 N1 DC B 7 4.464 -10.535 1.520 1.00 0.00 N ATOM 454 C2 DC B 7 3.068 -10.637 1.632 1.00 0.00 C ATOM 455 O2 DC B 7 2.481 -10.434 2.692 1.00 0.00 O ATOM 456 N3 DC B 7 2.341 -10.971 0.529 1.00 0.00 N ATOM 457 C4 DC B 7 2.938 -11.272 -0.630 1.00 0.00 C ATOM 458 N4 DC B 7 2.171 -11.574 -1.682 1.00 0.00 N ATOM 459 C5 DC B 7 4.370 -11.290 -0.744 1.00 0.00 C ATOM 460 C6 DC B 7 5.084 -10.918 0.347 1.00 0.00 C ATOM 0 H5' DC B 7 7.134 -6.669 2.404 1.00 0.00 H new ATOM 0 H5'' DC B 7 7.989 -6.821 3.927 1.00 0.00 H new ATOM 0 H4' DC B 7 6.019 -7.839 4.429 1.00 0.00 H new ATOM 0 H3' DC B 7 8.115 -9.777 4.310 1.00 0.00 H new ATOM 0 H2' DC B 7 7.231 -10.666 2.171 1.00 0.00 H new ATOM 0 H2'' DC B 7 6.446 -11.668 3.376 1.00 0.00 H new ATOM 0 H1' DC B 7 4.477 -10.171 3.474 1.00 0.00 H new ATOM 0 H41 DC B 7 2.601 -11.807 -2.577 1.00 0.00 H new ATOM 0 H42 DC B 7 1.155 -11.571 -1.590 1.00 0.00 H new ATOM 0 H5 DC B 7 4.858 -11.587 -1.661 1.00 0.00 H new ATOM 0 H6 DC B 7 6.163 -10.921 0.297 1.00 0.00 H new ATOM 472 P DG B 8 6.800 -11.185 6.348 1.00 0.00 P ATOM 473 OP1 DG B 8 7.455 -10.651 7.562 1.00 0.00 O ATOM 474 OP2 DG B 8 7.487 -12.217 5.537 1.00 0.00 O ATOM 475 O5' DG B 8 5.347 -11.764 6.768 1.00 0.00 O ATOM 476 C5' DG B 8 4.318 -11.887 5.807 1.00 0.00 C ATOM 477 C4' DG B 8 3.531 -13.171 5.891 1.00 0.00 C ATOM 478 O4' DG B 8 2.715 -13.008 4.760 1.00 0.00 O ATOM 479 C3' DG B 8 4.312 -14.451 5.622 1.00 0.00 C ATOM 480 O3' DG B 8 4.713 -15.084 6.818 1.00 0.00 O ATOM 481 C2' DG B 8 3.264 -15.281 4.878 1.00 0.00 C ATOM 482 C1' DG B 8 2.195 -14.260 4.461 1.00 0.00 C ATOM 483 N9 DG B 8 1.988 -14.233 2.998 1.00 0.00 N ATOM 484 C8 DG B 8 2.934 -14.024 2.027 1.00 0.00 C ATOM 485 N7 DG B 8 2.465 -14.048 0.812 1.00 0.00 N ATOM 486 C5 DG B 8 1.104 -14.270 0.988 1.00 0.00 C ATOM 487 C6 DG B 8 0.065 -14.379 0.018 1.00 0.00 C ATOM 488 O6 DG B 8 0.152 -14.257 -1.200 1.00 0.00 O ATOM 489 N1 DG B 8 -1.170 -14.662 0.594 1.00 0.00 N ATOM 490 C2 DG B 8 -1.393 -14.776 1.954 1.00 0.00 C ATOM 491 N2 DG B 8 -2.645 -15.034 2.347 1.00 0.00 N ATOM 492 N3 DG B 8 -0.420 -14.646 2.872 1.00 0.00 N ATOM 493 C4 DG B 8 0.802 -14.400 2.324 1.00 0.00 C ATOM 0 H5' DG B 8 4.757 -11.809 4.812 1.00 0.00 H new ATOM 0 H5'' DG B 8 3.632 -11.048 5.919 1.00 0.00 H new ATOM 0 H4' DG B 8 3.097 -13.293 6.884 1.00 0.00 H new ATOM 0 H3' DG B 8 5.242 -14.298 5.075 1.00 0.00 H new ATOM 0 H2' DG B 8 3.695 -15.781 4.011 1.00 0.00 H new ATOM 0 H2'' DG B 8 2.844 -16.057 5.518 1.00 0.00 H new ATOM 0 HO3' DG B 8 5.210 -15.902 6.605 1.00 0.00 H new ATOM 0 H1' DG B 8 1.263 -14.516 4.965 1.00 0.00 H new ATOM 0 H8 DG B 8 3.977 -13.854 2.250 1.00 0.00 H new ATOM 0 H1 DG B 8 -1.966 -14.794 -0.030 1.00 0.00 H new ATOM 0 H21 DG B 8 -2.859 -15.127 3.340 1.00 0.00 H new ATOM 0 H22 DG B 8 -3.386 -15.138 1.654 1.00 0.00 H new TER 506 DG B 8 HETATM 507 C1 TOT A 9 -5.524 -4.816 3.987 1.00 0.00 C HETATM 508 C2 TOT A 9 -6.898 -5.083 3.918 1.00 0.00 C HETATM 509 C3 TOT A 9 -7.491 -5.314 2.670 1.00 0.00 C HETATM 510 C4 TOT A 9 -6.723 -5.220 1.499 1.00 0.00 C HETATM 511 N5 TOT A 9 -4.456 -4.814 0.485 1.00 0.00 N HETATM 512 C6 TOT A 9 -4.856 -4.745 -0.944 1.00 0.00 C HETATM 513 C7 TOT A 9 -3.188 -4.732 0.970 1.00 0.00 C HETATM 514 C8 TOT A 9 -2.035 -4.634 0.066 1.00 0.00 C HETATM 515 S9 TOT A 9 -3.059 -4.755 2.613 1.00 0.00 S HETATM 516 C10 TOT A 9 -4.738 -4.831 2.813 1.00 0.00 C HETATM 517 C11 TOT A 9 -5.331 -4.974 1.553 1.00 0.00 C HETATM 518 C12 TOT A 9 1.706 -4.622 -0.462 1.00 0.00 C HETATM 519 C13 TOT A 9 2.657 -4.991 -1.423 1.00 0.00 C HETATM 520 C14 TOT A 9 2.290 -5.151 -2.761 1.00 0.00 C HETATM 521 C15 TOT A 9 0.940 -5.116 -3.108 1.00 0.00 C HETATM 522 C16 TOT A 9 -0.043 -5.005 -2.107 1.00 0.00 C HETATM 523 C17 TOT A 9 0.319 -4.698 -0.767 1.00 0.00 C HETATM 524 C18 TOT A 9 -0.637 -4.456 0.271 1.00 0.00 C HETATM 525 C19 TOT A 9 -0.148 -4.014 1.520 1.00 0.00 C HETATM 526 C20 TOT A 9 1.222 -3.852 1.747 1.00 0.00 C HETATM 527 N21 TOT A 9 2.140 -4.172 0.776 1.00 0.00 N HETATM 528 C22 TOT A 9 3.563 -3.976 1.154 1.00 0.00 C HETATM 529 C23 TOT A 9 3.968 -4.721 2.441 1.00 0.00 C HETATM 530 C24 TOT A 9 5.327 -4.302 3.017 1.00 0.00 C HETATM 531 N25 TOT A 9 5.308 -3.344 4.162 1.00 0.00 N HETATM 532 C26 TOT A 9 4.703 -2.031 3.806 1.00 0.00 C HETATM 533 C27 TOT A 9 5.490 -1.220 2.763 1.00 0.00 C HETATM 534 C28 TOT A 9 6.713 -3.171 4.616 1.00 0.00 C HETATM 535 C29 TOT A 9 4.551 -3.899 5.317 1.00 0.00 C HETATM 536 C31 TOT A 9 -2.921 4.715 -6.191 1.00 0.00 C HETATM 537 C32 TOT A 9 -4.073 5.038 -6.922 1.00 0.00 C HETATM 538 C33 TOT A 9 -5.241 5.403 -6.239 1.00 0.00 C HETATM 539 C34 TOT A 9 -5.256 5.414 -4.836 1.00 0.00 C HETATM 540 N35 TOT A 9 -3.970 5.067 -2.703 1.00 0.00 N HETATM 541 C36 TOT A 9 -5.108 5.137 -1.753 1.00 0.00 C HETATM 542 C37 TOT A 9 -2.656 4.930 -2.380 1.00 0.00 C HETATM 543 C38 TOT A 9 -2.213 4.979 -0.978 1.00 0.00 C HETATM 544 S39 TOT A 9 -1.647 4.716 -3.669 1.00 0.00 S HETATM 545 C40 TOT A 9 -2.916 4.828 -4.783 1.00 0.00 C HETATM 546 C41 TOT A 9 -4.092 5.129 -4.084 1.00 0.00 C HETATM 547 C42 TOT A 9 0.469 4.859 1.671 1.00 0.00 C HETATM 548 C43 TOT A 9 0.715 5.356 2.960 1.00 0.00 C HETATM 549 C44 TOT A 9 -0.338 5.674 3.809 1.00 0.00 C HETATM 550 C45 TOT A 9 -1.649 5.511 3.352 1.00 0.00 C HETATM 551 C46 TOT A 9 -1.896 5.245 1.987 1.00 0.00 C HETATM 552 C47 TOT A 9 -0.822 4.962 1.098 1.00 0.00 C HETATM 553 C48 TOT A 9 -0.968 4.769 -0.315 1.00 0.00 C HETATM 554 C49 TOT A 9 0.179 4.358 -1.036 1.00 0.00 C HETATM 555 C50 TOT A 9 1.387 4.087 -0.383 1.00 0.00 C HETATM 556 N51 TOT A 9 1.509 4.280 0.968 1.00 0.00 N HETATM 557 C52 TOT A 9 2.782 3.864 1.595 1.00 0.00 C HETATM 558 C53 TOT A 9 3.299 2.456 1.248 1.00 0.00 C HETATM 559 C54 TOT A 9 4.796 2.358 1.607 1.00 0.00 C HETATM 560 N55 TOT A 9 5.389 0.995 1.488 1.00 0.00 N HETATM 561 C56 TOT A 9 4.754 0.104 2.505 1.00 0.00 C HETATM 562 C58 TOT A 9 6.847 1.141 1.738 1.00 0.00 C HETATM 563 C59 TOT A 9 5.203 0.449 0.117 1.00 0.00 C HETATM 0 H593 TOT A 9 4.138 0.387 -0.109 1.00 0.00 H new HETATM 0 H592 TOT A 9 5.689 1.105 -0.605 1.00 0.00 H new HETATM 0 H591 TOT A 9 5.645 -0.546 0.058 1.00 0.00 H new HETATM 0 H583 TOT A 9 7.277 1.817 0.999 1.00 0.00 H new HETATM 0 H582 TOT A 9 7.006 1.547 2.737 1.00 0.00 H new HETATM 0 H581 TOT A 9 7.329 0.166 1.662 1.00 0.00 H new HETATM 0 H562 TOT A 9 3.737 -0.120 2.184 1.00 0.00 H new HETATM 0 H561 TOT A 9 4.678 0.649 3.446 1.00 0.00 H new HETATM 0 H542 TOT A 9 5.353 3.037 0.962 1.00 0.00 H new HETATM 0 H541 TOT A 9 4.932 2.708 2.630 1.00 0.00 H new HETATM 0 H532 TOT A 9 2.732 1.703 1.796 1.00 0.00 H new HETATM 0 H531 TOT A 9 3.154 2.255 0.187 1.00 0.00 H new HETATM 0 H522 TOT A 9 3.550 4.586 1.317 1.00 0.00 H new HETATM 0 H521 TOT A 9 2.664 3.926 2.677 1.00 0.00 H new HETATM 0 H363 TOT A 9 -5.144 4.223 -1.161 1.00 0.00 H new HETATM 0 H362 TOT A 9 -4.977 5.993 -1.091 1.00 0.00 H new HETATM 0 H361 TOT A 9 -6.039 5.247 -2.308 1.00 0.00 H new HETATM 0 H293 TOT A 9 3.523 -4.100 5.016 1.00 0.00 H new HETATM 0 H292 TOT A 9 5.020 -4.826 5.648 1.00 0.00 H new HETATM 0 H291 TOT A 9 4.555 -3.178 6.135 1.00 0.00 H new HETATM 0 H283 TOT A 9 7.115 -4.134 4.930 1.00 0.00 H new HETATM 0 H282 TOT A 9 7.314 -2.776 3.797 1.00 0.00 H new HETATM 0 H281 TOT A 9 6.741 -2.475 5.455 1.00 0.00 H new HETATM 0 H272 TOT A 9 6.501 -1.026 3.121 1.00 0.00 H new HETATM 0 H271 TOT A 9 5.583 -1.787 1.836 1.00 0.00 H new HETATM 0 H262 TOT A 9 3.695 -2.202 3.428 1.00 0.00 H new HETATM 0 H261 TOT A 9 4.606 -1.434 4.713 1.00 0.00 H new HETATM 0 H242 TOT A 9 5.852 -5.202 3.336 1.00 0.00 H new HETATM 0 H241 TOT A 9 5.914 -3.858 2.213 1.00 0.00 H new HETATM 0 H232 TOT A 9 3.201 -4.557 3.198 1.00 0.00 H new HETATM 0 H231 TOT A 9 3.989 -5.791 2.235 1.00 0.00 H new HETATM 0 H222 TOT A 9 4.198 -4.313 0.334 1.00 0.00 H new HETATM 0 H221 TOT A 9 3.752 -2.911 1.286 1.00 0.00 H new HETATM 0 H8 TOT A 9 -2.307 -4.715 -0.986 1.00 0.00 H new HETATM 0 H63 TOT A 9 -4.544 -3.789 -1.363 1.00 0.00 H new HETATM 0 H62 TOT A 9 -4.379 -5.556 -1.495 1.00 0.00 H new HETATM 0 H61 TOT A 9 -5.939 -4.840 -1.024 1.00 0.00 H new HETATM 0 H50 TOT A 9 2.239 3.719 -0.955 1.00 0.00 H new HETATM 0 H49 TOT A 9 0.120 4.251 -2.119 1.00 0.00 H new HETATM 0 H46 TOT A 9 -2.919 5.257 1.611 1.00 0.00 H new HETATM 0 H45 TOT A 9 -2.482 5.589 4.050 1.00 0.00 H new HETATM 0 H44 TOT A 9 -0.145 6.045 4.816 1.00 0.00 H new HETATM 0 H43 TOT A 9 1.742 5.494 3.298 1.00 0.00 H new HETATM 0 H4 TOT A 9 -7.208 -5.339 0.530 1.00 0.00 H new HETATM 0 H38 TOT A 9 -3.019 5.234 -0.290 1.00 0.00 H new HETATM 0 H34 TOT A 9 -6.184 5.647 -4.314 1.00 0.00 H new HETATM 0 H33 TOT A 9 -6.136 5.678 -6.797 1.00 0.00 H new HETATM 0 H32 TOT A 9 -4.060 5.006 -8.011 1.00 0.00 H new HETATM 0 H31 TOT A 9 -2.026 4.375 -6.711 1.00 0.00 H new HETATM 0 H3 TOT A 9 -8.549 -5.567 2.608 1.00 0.00 H new HETATM 0 H20 TOT A 9 1.566 -3.467 2.707 1.00 0.00 H new HETATM 0 H2 TOT A 9 -7.499 -5.111 4.827 1.00 0.00 H new HETATM 0 H19 TOT A 9 -0.852 -3.795 2.323 1.00 0.00 H new HETATM 0 H16 TOT A 9 -1.092 -5.156 -2.362 1.00 0.00 H new HETATM 0 H15 TOT A 9 0.646 -5.175 -4.156 1.00 0.00 H new HETATM 0 H14 TOT A 9 3.051 -5.302 -3.526 1.00 0.00 H new HETATM 0 H13 TOT A 9 3.692 -5.155 -1.124 1.00 0.00 H new HETATM 0 H1 TOT A 9 -5.061 -4.596 4.949 1.00 0.00 H new