USER MOD reduce.3.24.130724 H: found=0, std=0, add=232, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 232 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Set 1.2: B 9 DT C7 :methyl 150:sc= -0.0162 (180deg=-0.0162) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.705 (180deg=-0.705) USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 P DT A 1 6.873 -4.314 11.325 1.00 0.00 P ATOM 2 OP1 DT A 1 8.290 -4.715 11.461 1.00 0.00 O ATOM 3 OP2 DT A 1 6.316 -3.194 12.112 1.00 0.00 O ATOM 4 O5' DT A 1 6.537 -4.104 9.770 1.00 0.00 O ATOM 5 C5' DT A 1 6.403 -2.812 9.201 1.00 0.00 C ATOM 6 C4' DT A 1 5.789 -2.891 7.794 1.00 0.00 C ATOM 7 O4' DT A 1 4.480 -3.423 7.869 1.00 0.00 O ATOM 8 C3' DT A 1 5.658 -1.515 7.121 1.00 0.00 C ATOM 9 O3' DT A 1 6.603 -1.359 6.074 1.00 0.00 O ATOM 10 C2' DT A 1 4.227 -1.502 6.570 1.00 0.00 C ATOM 11 C1' DT A 1 3.711 -2.931 6.795 1.00 0.00 C ATOM 12 N1 DT A 1 2.277 -3.032 7.206 1.00 0.00 N ATOM 13 C2 DT A 1 1.412 -3.854 6.478 1.00 0.00 C ATOM 14 O2 DT A 1 1.705 -4.380 5.401 1.00 0.00 O ATOM 15 N3 DT A 1 0.134 -4.018 6.992 1.00 0.00 N ATOM 16 C4 DT A 1 -0.388 -3.380 8.097 1.00 0.00 C ATOM 17 O4 DT A 1 -1.573 -3.572 8.397 1.00 0.00 O ATOM 18 C5 DT A 1 0.556 -2.507 8.787 1.00 0.00 C ATOM 19 C7 DT A 1 0.138 -1.747 10.031 1.00 0.00 C ATOM 20 C6 DT A 1 1.840 -2.380 8.342 1.00 0.00 C ATOM 0 H5' DT A 1 7.380 -2.331 9.149 1.00 0.00 H new ATOM 0 H5'' DT A 1 5.776 -2.192 9.841 1.00 0.00 H new ATOM 0 H4' DT A 1 6.462 -3.519 7.210 1.00 0.00 H new ATOM 0 H3' DT A 1 5.850 -0.697 7.815 1.00 0.00 H new ATOM 0 H2' DT A 1 3.609 -0.771 7.091 1.00 0.00 H new ATOM 0 H2'' DT A 1 4.212 -1.237 5.513 1.00 0.00 H new ATOM 0 H1' DT A 1 3.793 -3.474 5.854 1.00 0.00 H new ATOM 0 H3 DT A 1 -0.478 -4.673 6.506 1.00 0.00 H new ATOM 0 H71 DT A 1 1.003 -1.605 10.678 1.00 0.00 H new ATOM 0 H72 DT A 1 -0.265 -0.775 9.745 1.00 0.00 H new ATOM 0 H73 DT A 1 -0.625 -2.314 10.565 1.00 0.00 H new ATOM 0 H6 DT A 1 2.530 -1.756 8.891 1.00 0.00 H new ATOM 33 P DC A 2 8.154 -1.000 6.372 1.00 0.00 P ATOM 34 OP1 DC A 2 8.959 -2.227 6.105 1.00 0.00 O ATOM 35 OP2 DC A 2 8.230 -0.376 7.708 1.00 0.00 O ATOM 36 O5' DC A 2 8.508 0.181 5.297 1.00 0.00 O ATOM 37 C5' DC A 2 7.830 1.444 5.377 1.00 0.00 C ATOM 38 C4' DC A 2 7.863 2.236 4.054 1.00 0.00 C ATOM 39 O4' DC A 2 6.898 1.706 3.157 1.00 0.00 O ATOM 40 C3' DC A 2 7.567 3.734 4.234 1.00 0.00 C ATOM 41 O3' DC A 2 8.619 4.612 3.810 1.00 0.00 O ATOM 42 C2' DC A 2 6.223 3.946 3.543 1.00 0.00 C ATOM 43 C1' DC A 2 5.969 2.679 2.716 1.00 0.00 C ATOM 44 N1 DC A 2 4.595 2.141 2.906 1.00 0.00 N ATOM 45 C2 DC A 2 3.712 2.038 1.813 1.00 0.00 C ATOM 46 O2 DC A 2 4.049 2.345 0.662 1.00 0.00 O ATOM 47 N3 DC A 2 2.447 1.636 2.034 1.00 0.00 N ATOM 48 C4 DC A 2 2.041 1.310 3.237 1.00 0.00 C ATOM 49 N4 DC A 2 0.771 0.975 3.348 1.00 0.00 N ATOM 50 C5 DC A 2 2.876 1.383 4.381 1.00 0.00 C ATOM 51 C6 DC A 2 4.161 1.795 4.164 1.00 0.00 C ATOM 0 H5' DC A 2 8.286 2.045 6.164 1.00 0.00 H new ATOM 0 H5'' DC A 2 6.793 1.275 5.666 1.00 0.00 H new ATOM 0 H4' DC A 2 8.876 2.137 3.665 1.00 0.00 H new ATOM 0 H3' DC A 2 7.512 4.006 5.288 1.00 0.00 H new ATOM 0 H2' DC A 2 5.429 4.101 4.273 1.00 0.00 H new ATOM 0 H2'' DC A 2 6.247 4.830 2.906 1.00 0.00 H new ATOM 0 H1' DC A 2 6.079 2.920 1.659 1.00 0.00 H new ATOM 0 H41 DC A 2 0.391 0.711 4.257 1.00 0.00 H new ATOM 0 H42 DC A 2 0.168 0.980 2.525 1.00 0.00 H new ATOM 0 H5 DC A 2 2.517 1.128 5.367 1.00 0.00 H new ATOM 0 H6 DC A 2 4.848 1.850 4.996 1.00 0.00 H new ATOM 63 P DG A 3 9.240 4.744 2.307 1.00 0.00 P ATOM 64 OP1 DG A 3 9.500 3.397 1.754 1.00 0.00 O ATOM 65 OP2 DG A 3 10.342 5.727 2.348 1.00 0.00 O ATOM 66 O5' DG A 3 8.057 5.449 1.483 1.00 0.00 O ATOM 67 C5' DG A 3 7.592 4.994 0.223 1.00 0.00 C ATOM 68 C4' DG A 3 6.308 5.749 -0.155 1.00 0.00 C ATOM 69 O4' DG A 3 5.224 5.275 0.620 1.00 0.00 O ATOM 70 C3' DG A 3 6.380 7.271 0.103 1.00 0.00 C ATOM 71 O3' DG A 3 6.872 8.131 -0.927 1.00 0.00 O ATOM 72 C2' DG A 3 4.947 7.637 0.478 1.00 0.00 C ATOM 73 C1' DG A 3 4.277 6.305 0.824 1.00 0.00 C ATOM 74 N9 DG A 3 3.752 6.183 2.210 1.00 0.00 N ATOM 75 C8 DG A 3 4.299 6.581 3.407 1.00 0.00 C ATOM 76 N7 DG A 3 3.632 6.187 4.459 1.00 0.00 N ATOM 77 C5 DG A 3 2.534 5.504 3.927 1.00 0.00 C ATOM 78 C6 DG A 3 1.417 4.841 4.552 1.00 0.00 C ATOM 79 O6 DG A 3 1.143 4.674 5.737 1.00 0.00 O ATOM 80 N1 DG A 3 0.518 4.327 3.642 1.00 0.00 N ATOM 81 C2 DG A 3 0.651 4.433 2.299 1.00 0.00 C ATOM 82 N2 DG A 3 -0.357 3.994 1.598 1.00 0.00 N ATOM 83 N3 DG A 3 1.659 5.049 1.681 1.00 0.00 N ATOM 84 C4 DG A 3 2.583 5.547 2.552 1.00 0.00 C ATOM 0 H5' DG A 3 7.398 3.922 0.261 1.00 0.00 H new ATOM 0 H5'' DG A 3 8.357 5.153 -0.537 1.00 0.00 H new ATOM 0 H4' DG A 3 6.179 5.573 -1.223 1.00 0.00 H new ATOM 0 H3' DG A 3 7.141 7.441 0.865 1.00 0.00 H new ATOM 0 H2' DG A 3 4.923 8.323 1.325 1.00 0.00 H new ATOM 0 H2'' DG A 3 4.437 8.133 -0.348 1.00 0.00 H new ATOM 0 H1' DG A 3 3.404 6.236 0.174 1.00 0.00 H new ATOM 0 H8 DG A 3 5.203 7.169 3.472 1.00 0.00 H new ATOM 0 H1 DG A 3 -0.299 3.836 4.004 1.00 0.00 H new ATOM 0 H21 DG A 3 -0.329 4.041 0.579 1.00 0.00 H new ATOM 0 H22 DG A 3 -1.174 3.604 2.068 1.00 0.00 H new ATOM 96 P DT A 4 6.971 7.730 -2.495 1.00 0.00 P ATOM 97 OP1 DT A 4 7.960 6.621 -2.556 1.00 0.00 O ATOM 98 OP2 DT A 4 7.272 9.000 -3.181 1.00 0.00 O ATOM 99 O5' DT A 4 5.476 7.234 -2.930 1.00 0.00 O ATOM 100 C5' DT A 4 5.252 6.203 -3.896 1.00 0.00 C ATOM 101 C4' DT A 4 4.073 6.504 -4.851 1.00 0.00 C ATOM 102 O4' DT A 4 2.809 6.346 -4.212 1.00 0.00 O ATOM 103 C3' DT A 4 4.115 7.903 -5.481 1.00 0.00 C ATOM 104 O3' DT A 4 3.945 7.813 -6.880 1.00 0.00 O ATOM 105 C2' DT A 4 2.871 8.574 -4.935 1.00 0.00 C ATOM 106 C1' DT A 4 1.948 7.382 -4.660 1.00 0.00 C ATOM 107 N1 DT A 4 0.949 7.707 -3.613 1.00 0.00 N ATOM 108 C2 DT A 4 -0.402 7.826 -3.968 1.00 0.00 C ATOM 109 O2 DT A 4 -0.822 7.670 -5.106 1.00 0.00 O ATOM 110 N3 DT A 4 -1.273 8.164 -2.953 1.00 0.00 N ATOM 111 C4 DT A 4 -0.922 8.439 -1.649 1.00 0.00 C ATOM 112 O4 DT A 4 -1.795 8.758 -0.853 1.00 0.00 O ATOM 113 C5 DT A 4 0.505 8.314 -1.360 1.00 0.00 C ATOM 114 C7 DT A 4 1.026 8.612 0.026 1.00 0.00 C ATOM 115 C6 DT A 4 1.377 7.959 -2.332 1.00 0.00 C ATOM 0 H5' DT A 4 5.059 5.264 -3.377 1.00 0.00 H new ATOM 0 H5'' DT A 4 6.159 6.062 -4.483 1.00 0.00 H new ATOM 0 H4' DT A 4 4.191 5.768 -5.647 1.00 0.00 H new ATOM 0 H3' DT A 4 5.052 8.418 -5.268 1.00 0.00 H new ATOM 0 H2' DT A 4 3.081 9.143 -4.029 1.00 0.00 H new ATOM 0 H2'' DT A 4 2.435 9.268 -5.654 1.00 0.00 H new ATOM 0 H1' DT A 4 1.383 7.100 -5.549 1.00 0.00 H new ATOM 0 H3 DT A 4 -2.264 8.215 -3.188 1.00 0.00 H new ATOM 0 H71 DT A 4 1.908 8.002 0.222 1.00 0.00 H new ATOM 0 H72 DT A 4 1.291 9.667 0.096 1.00 0.00 H new ATOM 0 H73 DT A 4 0.255 8.382 0.762 1.00 0.00 H new ATOM 0 H6 DT A 4 2.427 7.872 -2.097 1.00 0.00 H new ATOM 128 P DT A 5 5.133 8.138 -7.876 1.00 0.00 P ATOM 129 OP1 DT A 5 5.229 9.603 -7.870 1.00 0.00 O ATOM 130 OP2 DT A 5 4.739 7.461 -9.133 1.00 0.00 O ATOM 131 O5' DT A 5 6.388 7.410 -7.145 1.00 0.00 O ATOM 132 C5' DT A 5 7.745 7.435 -7.627 1.00 0.00 C ATOM 133 C4' DT A 5 7.922 6.597 -8.898 1.00 0.00 C ATOM 134 O4' DT A 5 7.748 7.429 -10.020 1.00 0.00 O ATOM 135 C3' DT A 5 9.268 5.906 -9.065 1.00 0.00 C ATOM 136 O3' DT A 5 8.988 4.655 -9.649 1.00 0.00 O ATOM 137 C2' DT A 5 10.007 6.741 -10.095 1.00 0.00 C ATOM 138 C1' DT A 5 8.814 7.228 -10.927 1.00 0.00 C ATOM 139 N1 DT A 5 9.003 8.501 -11.674 1.00 0.00 N ATOM 140 C2 DT A 5 8.561 8.558 -13.000 1.00 0.00 C ATOM 141 O2 DT A 5 8.052 7.601 -13.585 1.00 0.00 O ATOM 142 N3 DT A 5 8.724 9.761 -13.650 1.00 0.00 N ATOM 143 C4 DT A 5 9.267 10.906 -13.108 1.00 0.00 C ATOM 144 O4 DT A 5 9.363 11.893 -13.819 1.00 0.00 O ATOM 145 C5 DT A 5 9.652 10.795 -11.704 1.00 0.00 C ATOM 146 C7 DT A 5 10.203 11.982 -10.936 1.00 0.00 C ATOM 147 C6 DT A 5 9.495 9.623 -11.039 1.00 0.00 C ATOM 0 H5' DT A 5 8.412 7.060 -6.851 1.00 0.00 H new ATOM 0 H5'' DT A 5 8.038 8.465 -7.829 1.00 0.00 H new ATOM 0 H4' DT A 5 7.177 5.807 -8.808 1.00 0.00 H new ATOM 0 H3' DT A 5 9.830 5.797 -8.138 1.00 0.00 H new ATOM 0 H2' DT A 5 10.567 7.561 -9.646 1.00 0.00 H new ATOM 0 H2'' DT A 5 10.715 6.154 -10.681 1.00 0.00 H new ATOM 0 H1' DT A 5 8.645 6.468 -11.689 1.00 0.00 H new ATOM 0 H3 DT A 5 8.415 9.809 -14.621 1.00 0.00 H new ATOM 0 H71 DT A 5 9.936 11.890 -9.883 1.00 0.00 H new ATOM 0 H72 DT A 5 11.288 12.007 -11.034 1.00 0.00 H new ATOM 0 H73 DT A 5 9.781 12.903 -11.338 1.00 0.00 H new ATOM 0 H6 DT A 5 9.760 9.567 -9.993 1.00 0.00 H new ATOM 160 P DT A 6 9.737 3.327 -9.149 1.00 0.00 P ATOM 161 OP1 DT A 6 11.192 3.585 -9.139 1.00 0.00 O ATOM 162 OP2 DT A 6 9.139 2.261 -9.993 1.00 0.00 O ATOM 163 O5' DT A 6 9.196 3.240 -7.630 1.00 0.00 O ATOM 164 C5' DT A 6 8.501 2.111 -7.148 1.00 0.00 C ATOM 165 C4' DT A 6 7.941 2.348 -5.735 1.00 0.00 C ATOM 166 O4' DT A 6 6.810 3.218 -5.787 1.00 0.00 O ATOM 167 C3' DT A 6 7.458 1.011 -5.156 1.00 0.00 C ATOM 168 O3' DT A 6 7.912 0.705 -3.838 1.00 0.00 O ATOM 169 C2' DT A 6 5.951 1.080 -5.383 1.00 0.00 C ATOM 170 C1' DT A 6 5.657 2.572 -5.264 1.00 0.00 C ATOM 171 N1 DT A 6 4.447 2.950 -6.050 1.00 0.00 N ATOM 172 C2 DT A 6 3.216 3.093 -5.395 1.00 0.00 C ATOM 173 O2 DT A 6 3.060 2.941 -4.180 1.00 0.00 O ATOM 174 N3 DT A 6 2.137 3.431 -6.192 1.00 0.00 N ATOM 175 C4 DT A 6 2.160 3.630 -7.557 1.00 0.00 C ATOM 176 O4 DT A 6 1.118 3.935 -8.129 1.00 0.00 O ATOM 177 C5 DT A 6 3.465 3.436 -8.176 1.00 0.00 C ATOM 178 C7 DT A 6 3.651 3.579 -9.677 1.00 0.00 C ATOM 179 C6 DT A 6 4.545 3.107 -7.421 1.00 0.00 C ATOM 0 H5' DT A 6 9.170 1.250 -7.135 1.00 0.00 H new ATOM 0 H5'' DT A 6 7.684 1.869 -7.828 1.00 0.00 H new ATOM 0 H4' DT A 6 8.728 2.789 -5.123 1.00 0.00 H new ATOM 0 H3' DT A 6 7.897 0.143 -5.648 1.00 0.00 H new ATOM 0 H2' DT A 6 5.672 0.690 -6.362 1.00 0.00 H new ATOM 0 H2'' DT A 6 5.403 0.500 -4.640 1.00 0.00 H new ATOM 0 H1' DT A 6 5.453 2.859 -4.232 1.00 0.00 H new ATOM 0 H3 DT A 6 1.237 3.544 -5.725 1.00 0.00 H new ATOM 0 H71 DT A 6 4.663 3.924 -9.887 1.00 0.00 H new ATOM 0 H72 DT A 6 3.490 2.614 -10.157 1.00 0.00 H new ATOM 0 H73 DT A 6 2.934 4.302 -10.065 1.00 0.00 H new ATOM 0 H6 DT A 6 5.502 2.965 -7.902 1.00 0.00 H new ATOM 192 P DC A 7 7.730 1.565 -2.478 1.00 0.00 P ATOM 193 OP1 DC A 7 8.064 2.994 -2.745 1.00 0.00 O ATOM 194 OP2 DC A 7 8.539 0.812 -1.478 1.00 0.00 O ATOM 195 O5' DC A 7 6.143 1.388 -2.174 1.00 0.00 O ATOM 196 C5' DC A 7 5.541 0.101 -2.012 1.00 0.00 C ATOM 197 C4' DC A 7 5.818 -0.557 -0.647 1.00 0.00 C ATOM 198 O4' DC A 7 4.585 -0.647 0.051 1.00 0.00 O ATOM 199 C3' DC A 7 6.359 -1.988 -0.822 1.00 0.00 C ATOM 200 O3' DC A 7 7.464 -2.375 -0.004 1.00 0.00 O ATOM 201 C2' DC A 7 5.118 -2.858 -0.677 1.00 0.00 C ATOM 202 C1' DC A 7 4.089 -1.972 0.042 1.00 0.00 C ATOM 203 N1 DC A 7 2.716 -1.996 -0.540 1.00 0.00 N ATOM 204 C2 DC A 7 1.617 -2.123 0.318 1.00 0.00 C ATOM 205 O2 DC A 7 1.758 -2.199 1.552 1.00 0.00 O ATOM 206 N3 DC A 7 0.380 -2.234 -0.197 1.00 0.00 N ATOM 207 C4 DC A 7 0.186 -2.221 -1.502 1.00 0.00 C ATOM 208 N4 DC A 7 -1.046 -2.443 -1.888 1.00 0.00 N ATOM 209 C5 DC A 7 1.253 -2.080 -2.426 1.00 0.00 C ATOM 210 C6 DC A 7 2.505 -1.956 -1.913 1.00 0.00 C ATOM 0 H5' DC A 7 5.902 -0.559 -2.801 1.00 0.00 H new ATOM 0 H5'' DC A 7 4.463 0.197 -2.145 1.00 0.00 H new ATOM 0 H4' DC A 7 6.555 0.041 -0.110 1.00 0.00 H new ATOM 0 H3' DC A 7 6.846 -2.096 -1.791 1.00 0.00 H new ATOM 0 H2' DC A 7 4.748 -3.182 -1.650 1.00 0.00 H new ATOM 0 H2'' DC A 7 5.333 -3.759 -0.102 1.00 0.00 H new ATOM 0 H1' DC A 7 3.971 -2.378 1.047 1.00 0.00 H new ATOM 0 H41 DC A 7 -1.276 -2.449 -2.882 1.00 0.00 H new ATOM 0 H42 DC A 7 -1.775 -2.610 -1.195 1.00 0.00 H new ATOM 0 H5 DC A 7 1.078 -2.072 -3.492 1.00 0.00 H new ATOM 0 H6 DC A 7 3.345 -1.825 -2.579 1.00 0.00 H new ATOM 222 P DG A 8 7.464 -2.471 1.629 1.00 0.00 P ATOM 223 OP1 DG A 8 6.738 -1.303 2.163 1.00 0.00 O ATOM 224 OP2 DG A 8 8.891 -2.676 1.977 1.00 0.00 O ATOM 225 O5' DG A 8 6.631 -3.813 2.018 1.00 0.00 O ATOM 226 C5' DG A 8 5.619 -3.796 3.010 1.00 0.00 C ATOM 227 C4' DG A 8 4.760 -5.063 2.949 1.00 0.00 C ATOM 228 O4' DG A 8 3.982 -5.013 1.745 1.00 0.00 O ATOM 229 C3' DG A 8 5.599 -6.360 2.898 1.00 0.00 C ATOM 230 O3' DG A 8 5.325 -7.208 4.011 1.00 0.00 O ATOM 231 C2' DG A 8 5.118 -7.076 1.631 1.00 0.00 C ATOM 232 C1' DG A 8 3.890 -6.293 1.139 1.00 0.00 C ATOM 233 N9 DG A 8 3.793 -6.156 -0.344 1.00 0.00 N ATOM 234 C8 DG A 8 4.802 -6.170 -1.283 1.00 0.00 C ATOM 235 N7 DG A 8 4.419 -5.928 -2.503 1.00 0.00 N ATOM 236 C5 DG A 8 3.039 -5.774 -2.394 1.00 0.00 C ATOM 237 C6 DG A 8 2.053 -5.454 -3.384 1.00 0.00 C ATOM 238 O6 DG A 8 2.199 -5.222 -4.584 1.00 0.00 O ATOM 239 N1 DG A 8 0.765 -5.359 -2.881 1.00 0.00 N ATOM 240 C2 DG A 8 0.455 -5.593 -1.573 1.00 0.00 C ATOM 241 N2 DG A 8 -0.800 -5.449 -1.209 1.00 0.00 N ATOM 242 N3 DG A 8 1.354 -5.881 -0.629 1.00 0.00 N ATOM 243 C4 DG A 8 2.643 -5.949 -1.083 1.00 0.00 C ATOM 0 H5' DG A 8 4.987 -2.918 2.873 1.00 0.00 H new ATOM 0 H5'' DG A 8 6.075 -3.710 3.996 1.00 0.00 H new ATOM 0 H4' DG A 8 4.151 -5.088 3.853 1.00 0.00 H new ATOM 0 H3' DG A 8 6.665 -6.134 2.911 1.00 0.00 H new ATOM 0 H2' DG A 8 5.900 -7.092 0.872 1.00 0.00 H new ATOM 0 H2'' DG A 8 4.859 -8.113 1.844 1.00 0.00 H new ATOM 0 H1' DG A 8 2.989 -6.840 1.417 1.00 0.00 H new ATOM 0 H8 DG A 8 5.832 -6.367 -1.026 1.00 0.00 H new ATOM 0 H1 DG A 8 0.012 -5.102 -3.520 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.072 -5.615 -0.240 1.00 0.00 H new ATOM 0 H22 DG A 8 -1.501 -5.172 -1.896 1.00 0.00 H new ATOM 255 P DT A 9 6.491 -7.588 5.120 1.00 0.00 P ATOM 256 OP1 DT A 9 6.542 -6.509 6.147 1.00 0.00 O ATOM 257 OP2 DT A 9 7.743 -7.960 4.395 1.00 0.00 O ATOM 258 O5' DT A 9 6.003 -8.968 5.811 1.00 0.00 O ATOM 259 C5' DT A 9 4.986 -8.993 6.797 1.00 0.00 C ATOM 260 C4' DT A 9 3.652 -8.344 6.372 1.00 0.00 C ATOM 261 O4' DT A 9 3.402 -9.169 5.318 1.00 0.00 O ATOM 262 C3' DT A 9 2.192 -8.322 6.879 1.00 0.00 C ATOM 263 O3' DT A 9 1.817 -7.306 7.852 1.00 0.00 O ATOM 264 C2' DT A 9 1.489 -8.025 5.495 1.00 0.00 C ATOM 265 C1' DT A 9 2.552 -8.479 4.471 1.00 0.00 C ATOM 266 N1 DT A 9 2.281 -9.358 3.328 1.00 0.00 N ATOM 267 C2 DT A 9 3.298 -10.189 2.747 1.00 0.00 C ATOM 268 O2 DT A 9 4.393 -10.430 3.205 1.00 0.00 O ATOM 269 N3 DT A 9 3.025 -10.739 1.538 1.00 0.00 N ATOM 270 C4 DT A 9 1.905 -10.577 0.763 1.00 0.00 C ATOM 271 O4 DT A 9 1.856 -11.092 -0.345 1.00 0.00 O ATOM 272 C5 DT A 9 0.866 -9.751 1.411 1.00 0.00 C ATOM 273 C7 DT A 9 -0.451 -9.433 0.751 1.00 0.00 C ATOM 274 C6 DT A 9 1.088 -9.203 2.634 1.00 0.00 C ATOM 0 H5' DT A 9 5.352 -8.485 7.689 1.00 0.00 H new ATOM 0 H5'' DT A 9 4.796 -10.029 7.076 1.00 0.00 H new ATOM 0 H4' DT A 9 3.923 -7.303 6.548 1.00 0.00 H new ATOM 0 H3' DT A 9 1.941 -9.226 7.434 1.00 0.00 H new ATOM 0 H2' DT A 9 0.558 -8.581 5.386 1.00 0.00 H new ATOM 0 H2'' DT A 9 1.244 -6.969 5.383 1.00 0.00 H new ATOM 0 H1' DT A 9 2.840 -7.584 3.919 1.00 0.00 H new ATOM 0 H3 DT A 9 3.745 -11.352 1.156 1.00 0.00 H new ATOM 0 H71 DT A 9 -1.219 -9.308 1.514 1.00 0.00 H new ATOM 0 H72 DT A 9 -0.357 -8.512 0.176 1.00 0.00 H new ATOM 0 H73 DT A 9 -0.731 -10.249 0.085 1.00 0.00 H new ATOM 0 H6 DT A 9 0.300 -8.620 3.088 1.00 0.00 H new ATOM 287 P DT A 10 2.149 -7.520 9.407 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ATOM 402 N3 DG B 3 -0.115 5.063 -1.016 1.00 0.00 N ATOM 403 C4 DG B 3 -1.303 4.958 -1.684 1.00 0.00 C ATOM 0 H5' DG B 3 -4.548 3.128 2.511 1.00 0.00 H new ATOM 0 H5'' DG B 3 -5.990 4.102 2.714 1.00 0.00 H new ATOM 0 H4' DG B 3 -4.212 5.581 2.650 1.00 0.00 H new ATOM 0 H3' DG B 3 -5.783 5.622 0.010 1.00 0.00 H new ATOM 0 H2' DG B 3 -4.259 7.135 -0.894 1.00 0.00 H new ATOM 0 H2'' DG B 3 -3.767 7.740 0.676 1.00 0.00 H new ATOM 0 H1' DG B 3 -1.940 6.377 0.441 1.00 0.00 H new ATOM 0 H8 DG B 3 -4.489 5.063 -2.123 1.00 0.00 H new ATOM 0 H1 DG B 3 1.743 4.103 -3.531 1.00 0.00 H new ATOM 0 H21 DG B 3 2.204 4.875 -0.170 1.00 0.00 H new ATOM 0 H22 DG B 3 2.905 4.219 -1.652 1.00 0.00 H new ATOM 415 P DT B 4 -7.167 7.761 0.914 1.00 0.00 P ATOM 416 OP1 DT B 4 -8.427 7.389 1.589 1.00 0.00 O ATOM 417 OP2 DT B 4 -7.126 7.508 -0.543 1.00 0.00 O ATOM 418 O5' DT B 4 -6.698 9.288 1.255 1.00 0.00 O ATOM 419 C5' DT B 4 -6.450 9.801 2.575 1.00 0.00 C ATOM 420 C4' DT B 4 -5.299 9.105 3.324 1.00 0.00 C ATOM 421 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1.768 1.00 0.00 O ATOM 518 C3' DC B 7 -7.331 -4.143 2.623 1.00 0.00 C ATOM 519 O3' DC B 7 -8.399 -4.902 2.032 1.00 0.00 O ATOM 520 C2' DC B 7 -5.925 -4.724 2.468 1.00 0.00 C ATOM 521 C1' DC B 7 -5.107 -3.650 1.738 1.00 0.00 C ATOM 522 N1 DC B 7 -3.790 -3.320 2.337 1.00 0.00 N ATOM 523 C2 DC B 7 -2.688 -3.145 1.485 1.00 0.00 C ATOM 524 O2 DC B 7 -2.760 -3.385 0.271 1.00 0.00 O ATOM 525 N3 DC B 7 -1.523 -2.723 2.001 1.00 0.00 N ATOM 526 C4 DC B 7 -1.409 -2.455 3.276 1.00 0.00 C ATOM 527 N4 DC B 7 -0.203 -2.066 3.638 1.00 0.00 N ATOM 528 C5 DC B 7 -2.471 -2.626 4.206 1.00 0.00 C ATOM 529 C6 DC B 7 -3.666 -3.047 3.683 1.00 0.00 C ATOM 0 H5' DC B 7 -7.322 -0.675 2.956 1.00 0.00 H new ATOM 0 H5'' DC B 7 -8.694 -1.692 3.346 1.00 0.00 H new ATOM 0 H4' DC B 7 -7.846 -2.517 1.332 1.00 0.00 H new ATOM 0 H3' DC B 7 -7.686 -4.199 3.652 1.00 0.00 H new ATOM 0 H2' DC B 7 -5.488 -4.955 3.439 1.00 0.00 H new ATOM 0 H2'' DC B 7 -5.946 -5.653 1.899 1.00 0.00 H new ATOM 0 H1' DC B 7 -4.920 -4.062 0.746 1.00 0.00 H new ATOM 0 H41 DC B 7 -0.013 -1.834 4.613 1.00 0.00 H new ATOM 0 H42 DC B 7 0.541 -1.997 2.943 1.00 0.00 H new ATOM 0 H5 DC B 7 -2.344 -2.436 5.261 1.00 0.00 H new ATOM 0 H6 DC B 7 -4.520 -3.166 4.333 1.00 0.00 H new ATOM 541 P DG B 8 -8.680 -5.131 0.445 1.00 0.00 P ATOM 542 OP1 DG B 8 -8.715 -3.805 -0.221 1.00 0.00 O ATOM 543 OP2 DG B 8 -9.896 -5.980 0.354 1.00 0.00 O ATOM 544 O5' DG B 8 -7.401 -6.016 -0.041 1.00 0.00 O ATOM 545 C5' DG B 8 -6.523 -5.644 -1.105 1.00 0.00 C ATOM 546 C4' DG B 8 -5.259 -6.540 -1.203 1.00 0.00 C ATOM 547 O4' DG B 8 -4.317 -6.130 -0.218 1.00 0.00 O ATOM 548 C3' DG B 8 -5.491 -8.052 -1.012 1.00 0.00 C ATOM 549 O3' DG B 8 -5.540 -8.861 -2.188 1.00 0.00 O ATOM 550 C2' DG B 8 -4.246 -8.494 -0.224 1.00 0.00 C ATOM 551 C1' DG B 8 -3.516 -7.216 0.211 1.00 0.00 C ATOM 552 N9 DG B 8 -3.276 -7.100 1.677 1.00 0.00 N ATOM 553 C8 DG B 8 -4.092 -7.475 2.719 1.00 0.00 C ATOM 554 N7 DG B 8 -3.645 -7.147 3.899 1.00 0.00 N ATOM 555 C5 DG B 8 -2.413 -6.542 3.633 1.00 0.00 C ATOM 556 C6 DG B 8 -1.435 -5.974 4.511 1.00 0.00 C ATOM 557 O6 DG B 8 -1.454 -5.866 5.736 1.00 0.00 O ATOM 558 N1 DG B 8 -0.324 -5.478 3.855 1.00 0.00 N ATOM 559 C2 DG B 8 -0.164 -5.534 2.506 1.00 0.00 C ATOM 560 N2 DG B 8 0.956 -5.042 2.039 1.00 0.00 N ATOM 561 N3 DG B 8 -1.037 -6.080 1.657 1.00 0.00 N ATOM 562 C4 DG B 8 -2.163 -6.551 2.279 1.00 0.00 C ATOM 0 H5' DG B 8 -6.215 -4.608 -0.966 1.00 0.00 H new ATOM 0 H5'' DG B 8 -7.067 -5.691 -2.048 1.00 0.00 H new ATOM 0 H4' DG B 8 -4.907 -6.406 -2.226 1.00 0.00 H new ATOM 0 H3' DG B 8 -6.470 -8.186 -0.552 1.00 0.00 H new ATOM 0 H2' DG B 8 -4.530 -9.091 0.643 1.00 0.00 H new ATOM 0 H2'' DG B 8 -3.599 -9.117 -0.842 1.00 0.00 H new ATOM 0 H1' DG B 8 -2.523 -7.230 -0.238 1.00 0.00 H new ATOM 0 H8 DG B 8 -5.026 -7.998 2.572 1.00 0.00 H new ATOM 0 H1 DG B 8 0.414 -5.048 4.412 1.00 0.00 H new ATOM 0 H21 DG B 8 1.139 -5.053 1.036 1.00 0.00 H new ATOM 0 H22 DG B 8 1.646 -4.648 2.679 1.00 0.00 H new ATOM 574 P DT B 9 -6.609 -8.700 -3.408 1.00 0.00 P ATOM 575 OP1 DT B 9 -7.833 -7.953 -2.985 1.00 0.00 O ATOM 576 OP2 DT B 9 -6.728 -9.990 -4.134 1.00 0.00 O ATOM 577 O5' DT B 9 -5.725 -7.770 -4.361 1.00 0.00 O ATOM 578 C5' DT B 9 -6.114 -6.471 -4.768 1.00 0.00 C ATOM 579 C4' DT B 9 -5.196 -6.015 -5.907 1.00 0.00 C ATOM 580 O4' DT B 9 -3.870 -5.835 -5.419 1.00 0.00 O ATOM 581 C3' DT B 9 -5.155 -7.080 -7.013 1.00 0.00 C ATOM 582 O3' DT B 9 -5.400 -6.528 -8.284 1.00 0.00 O ATOM 583 C2' DT B 9 -3.736 -7.625 -6.932 1.00 0.00 C ATOM 584 C1' DT B 9 -2.974 -6.450 -6.328 1.00 0.00 C ATOM 585 N1 DT B 9 -1.750 -6.940 -5.645 1.00 0.00 N ATOM 586 C2 DT B 9 -0.527 -6.810 -6.310 1.00 0.00 C ATOM 587 O2 DT B 9 -0.381 -6.162 -7.340 1.00 0.00 O ATOM 588 N3 DT B 9 0.552 -7.461 -5.754 1.00 0.00 N ATOM 589 C4 DT B 9 0.540 -8.200 -4.591 1.00 0.00 C ATOM 590 O4 DT B 9 1.582 -8.718 -4.210 1.00 0.00 O ATOM 591 C5 DT B 9 -0.762 -8.266 -3.929 1.00 0.00 C ATOM 592 C7 DT B 9 -0.924 -9.049 -2.645 1.00 0.00 C ATOM 593 C6 DT B 9 -1.848 -7.653 -4.467 1.00 0.00 C ATOM 0 H5' DT B 9 -6.048 -5.777 -3.930 1.00 0.00 H new ATOM 0 H5'' DT B 9 -7.153 -6.474 -5.099 1.00 0.00 H new ATOM 0 H4' DT B 9 -5.585 -5.077 -6.304 1.00 0.00 H new ATOM 0 H3' DT B 9 -5.922 -7.843 -6.877 1.00 0.00 H new ATOM 0 H2' DT B 9 -3.677 -8.514 -6.305 1.00 0.00 H new ATOM 0 H2'' DT B 9 -3.349 -7.900 -7.913 1.00 0.00 H new ATOM 0 H1' DT B 9 -2.645 -5.737 -7.083 1.00 0.00 H new ATOM 0 H3 DT B 9 1.441 -7.390 -6.248 1.00 0.00 H new ATOM 0 H71 DT B 9 -1.708 -8.595 -2.039 1.00 0.00 H new ATOM 0 H72 DT B 9 -1.196 -10.078 -2.878 1.00 0.00 H new ATOM 0 H73 DT B 9 0.015 -9.038 -2.091 1.00 0.00 H new ATOM 0 H6 DT B 9 -2.802 -7.724 -3.966 1.00 0.00 H new ATOM 606 P DT B 10 -5.979 -7.461 -9.459 1.00 0.00 P ATOM 607 OP1 DT B 10 -7.419 -7.653 -9.191 1.00 0.00 O ATOM 608 OP2 DT B 10 -5.118 -8.666 -9.545 1.00 0.00 O ATOM 609 O5' DT B 10 -5.776 -6.507 -10.750 1.00 0.00 O ATOM 610 C5' DT B 10 -6.671 -5.437 -11.033 1.00 0.00 C ATOM 611 C4' DT B 10 -6.065 -4.491 -12.085 1.00 0.00 C ATOM 612 O4' DT B 10 -6.125 -5.124 -13.361 1.00 0.00 O ATOM 613 C3' DT B 10 -6.769 -3.118 -12.247 1.00 0.00 C ATOM 614 O3' DT B 10 -5.859 -2.032 -12.153 1.00 0.00 O ATOM 615 C2' DT B 10 -7.268 -3.159 -13.693 1.00 0.00 C ATOM 616 C1' DT B 10 -6.256 -4.113 -14.334 1.00 0.00 C ATOM 617 N1 DT B 10 -6.641 -4.690 -15.657 1.00 0.00 N ATOM 618 C2 DT B 10 -5.701 -4.635 -16.698 1.00 0.00 C ATOM 619 O2 DT B 10 -4.573 -4.169 -16.583 1.00 0.00 O ATOM 620 N3 DT B 10 -6.096 -5.130 -17.924 1.00 0.00 N ATOM 621 C4 DT B 10 -7.334 -5.656 -18.224 1.00 0.00 C ATOM 622 O4 DT B 10 -7.550 -6.031 -19.370 1.00 0.00 O ATOM 623 C5 DT B 10 -8.260 -5.711 -17.093 1.00 0.00 C ATOM 624 C7 DT B 10 -9.647 -6.302 -17.272 1.00 0.00 C ATOM 625 C6 DT B 10 -7.883 -5.255 -15.867 1.00 0.00 C ATOM 0 H5' DT B 10 -6.886 -4.884 -10.119 1.00 0.00 H new ATOM 0 H5'' DT B 10 -7.619 -5.834 -11.396 1.00 0.00 H new ATOM 0 H4' DT B 10 -5.055 -4.294 -11.726 1.00 0.00 H new ATOM 0 H3' DT B 10 -7.530 -2.972 -11.480 1.00 0.00 H new ATOM 0 H2' DT B 10 -8.289 -3.534 -13.765 1.00 0.00 H new ATOM 0 H2'' DT B 10 -7.257 -2.174 -14.160 1.00 0.00 H new ATOM 0 H1' DT B 10 -5.339 -3.579 -14.582 1.00 0.00 H new ATOM 0 H3 DT B 10 -5.409 -5.104 -18.677 1.00 0.00 H new ATOM 0 H71 DT B 10 -9.978 -6.745 -16.333 1.00 0.00 H new ATOM 0 H72 DT B 10 -10.342 -5.516 -17.567 1.00 0.00 H new ATOM 0 H73 DT B 10 -9.618 -7.070 -18.045 1.00 0.00 H new ATOM 0 H6 DT B 10 -8.572 -5.337 -15.039 1.00 0.00 H new TER 638 DT B 10