USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 186 hydrogens (13 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 DG O5' : rot 29:sc= 0.0783 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.814 (180deg=-2.18!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 29:sc= 0.0659 USER MOD Single : B 11 DT C7 :methyl -30:sc= -0.38 (180deg=-1.06) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.729 (180deg=-2.33!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.977 -8.570 -1.488 1.00 0.00 O ATOM 2 C5' DG A 1 2.307 -9.010 -1.686 1.00 0.00 C ATOM 3 C4' DG A 1 3.293 -8.078 -0.971 1.00 0.00 C ATOM 4 O4' DG A 1 2.999 -6.722 -1.315 1.00 0.00 O ATOM 5 C3' DG A 1 3.252 -8.201 0.558 1.00 0.00 C ATOM 6 O3' DG A 1 4.578 -8.359 1.031 1.00 0.00 O ATOM 7 C2' DG A 1 2.628 -6.887 0.964 1.00 0.00 C ATOM 8 C1' DG A 1 3.075 -5.940 -0.133 1.00 0.00 C ATOM 9 N9 DG A 1 2.187 -4.759 -0.201 1.00 0.00 N ATOM 10 C8 DG A 1 0.822 -4.727 -0.321 1.00 0.00 C ATOM 11 N7 DG A 1 0.312 -3.531 -0.387 1.00 0.00 N ATOM 12 C5 DG A 1 1.421 -2.694 -0.237 1.00 0.00 C ATOM 13 C6 DG A 1 1.533 -1.260 -0.200 1.00 0.00 C ATOM 14 O6 DG A 1 0.667 -0.399 -0.353 1.00 0.00 O ATOM 15 N1 DG A 1 2.826 -0.826 0.026 1.00 0.00 N ATOM 16 C2 DG A 1 3.897 -1.653 0.187 1.00 0.00 C ATOM 17 N2 DG A 1 5.057 -1.096 0.431 1.00 0.00 N ATOM 18 N3 DG A 1 3.836 -2.983 0.131 1.00 0.00 N ATOM 19 C4 DG A 1 2.569 -3.444 -0.085 1.00 0.00 C ATOM 0 H5' DG A 1 2.532 -9.038 -2.752 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.420 -10.027 -1.309 1.00 0.00 H new ATOM 0 H4' DG A 1 4.289 -8.375 -1.300 1.00 0.00 H new ATOM 0 H3' DG A 1 2.696 -9.050 0.956 1.00 0.00 H new ATOM 0 H2' DG A 1 1.542 -6.957 1.018 1.00 0.00 H new ATOM 0 H2'' DG A 1 2.976 -6.561 1.944 1.00 0.00 H new ATOM 0 HO5' DG A 1 0.969 -7.597 -1.368 1.00 0.00 H new ATOM 0 H1' DG A 1 4.076 -5.542 0.031 1.00 0.00 H new ATOM 0 H8 DG A 1 0.218 -5.622 -0.358 1.00 0.00 H new ATOM 0 H1 DG A 1 2.989 0.180 0.075 1.00 0.00 H new ATOM 0 H21 DG A 1 5.885 -1.678 0.558 1.00 0.00 H new ATOM 0 H22 DG A 1 5.132 -0.081 0.494 1.00 0.00 H new ATOM 32 P DT A 2 4.927 -8.599 2.590 1.00 0.00 P ATOM 33 OP1 DT A 2 5.951 -9.661 2.668 1.00 0.00 O ATOM 34 OP2 DT A 2 3.660 -8.723 3.341 1.00 0.00 O ATOM 35 O5' DT A 2 5.609 -7.194 2.982 1.00 0.00 O ATOM 36 C5' DT A 2 6.849 -6.810 2.407 1.00 0.00 C ATOM 37 C4' DT A 2 7.398 -5.501 2.991 1.00 0.00 C ATOM 38 O4' DT A 2 6.514 -4.430 2.691 1.00 0.00 O ATOM 39 C3' DT A 2 7.601 -5.548 4.510 1.00 0.00 C ATOM 40 O3' DT A 2 8.801 -4.864 4.830 1.00 0.00 O ATOM 41 C2' DT A 2 6.359 -4.835 5.019 1.00 0.00 C ATOM 42 C1' DT A 2 6.101 -3.820 3.903 1.00 0.00 C ATOM 43 N1 DT A 2 4.681 -3.391 3.774 1.00 0.00 N ATOM 44 C2 DT A 2 4.421 -2.021 3.654 1.00 0.00 C ATOM 45 O2 DT A 2 5.286 -1.152 3.714 1.00 0.00 O ATOM 46 N3 DT A 2 3.110 -1.656 3.438 1.00 0.00 N ATOM 47 C4 DT A 2 2.039 -2.520 3.333 1.00 0.00 C ATOM 48 O4 DT A 2 0.934 -2.054 3.077 1.00 0.00 O ATOM 49 C5 DT A 2 2.366 -3.930 3.522 1.00 0.00 C ATOM 50 C7 DT A 2 1.268 -4.985 3.486 1.00 0.00 C ATOM 51 C6 DT A 2 3.654 -4.314 3.722 1.00 0.00 C ATOM 0 H5' DT A 2 6.725 -6.698 1.330 1.00 0.00 H new ATOM 0 H5'' DT A 2 7.578 -7.605 2.563 1.00 0.00 H new ATOM 0 H4' DT A 2 8.375 -5.352 2.531 1.00 0.00 H new ATOM 0 H3' DT A 2 7.705 -6.542 4.945 1.00 0.00 H new ATOM 0 H2' DT A 2 5.521 -5.519 5.152 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.531 -4.351 5.980 1.00 0.00 H new ATOM 0 H1' DT A 2 6.657 -2.913 4.142 1.00 0.00 H new ATOM 0 H3 DT A 2 2.914 -0.659 3.348 1.00 0.00 H new ATOM 0 H71 DT A 2 0.333 -4.549 3.838 1.00 0.00 H new ATOM 0 H72 DT A 2 1.140 -5.342 2.464 1.00 0.00 H new ATOM 0 H73 DT A 2 1.544 -5.820 4.130 1.00 0.00 H new ATOM 0 H6 DT A 2 3.880 -5.363 3.843 1.00 0.00 H new ATOM 64 P DA A 3 9.409 -4.851 6.328 1.00 0.00 P ATOM 65 OP1 DA A 3 10.873 -4.674 6.221 1.00 0.00 O ATOM 66 OP2 DA A 3 8.852 -6.003 7.067 1.00 0.00 O ATOM 67 O5' DA A 3 8.775 -3.498 6.936 1.00 0.00 O ATOM 68 C5' DA A 3 9.243 -2.231 6.507 1.00 0.00 C ATOM 69 C4' DA A 3 8.567 -1.059 7.227 1.00 0.00 C ATOM 70 O4' DA A 3 7.243 -0.887 6.739 1.00 0.00 O ATOM 71 C3' DA A 3 8.499 -1.209 8.754 1.00 0.00 C ATOM 72 O3' DA A 3 9.017 -0.011 9.310 1.00 0.00 O ATOM 73 C2' DA A 3 6.999 -1.385 8.997 1.00 0.00 C ATOM 74 C1' DA A 3 6.391 -0.605 7.832 1.00 0.00 C ATOM 75 N9 DA A 3 5.013 -1.015 7.473 1.00 0.00 N ATOM 76 C8 DA A 3 4.496 -2.282 7.346 1.00 0.00 C ATOM 77 N7 DA A 3 3.265 -2.325 6.913 1.00 0.00 N ATOM 78 C5 DA A 3 2.928 -0.972 6.788 1.00 0.00 C ATOM 79 C6 DA A 3 1.762 -0.273 6.394 1.00 0.00 C ATOM 80 N6 DA A 3 0.654 -0.866 5.986 1.00 0.00 N ATOM 81 N1 DA A 3 1.724 1.066 6.419 1.00 0.00 N ATOM 82 C2 DA A 3 2.825 1.708 6.803 1.00 0.00 C ATOM 83 N3 DA A 3 3.998 1.191 7.158 1.00 0.00 N ATOM 84 C4 DA A 3 3.982 -0.169 7.136 1.00 0.00 C ATOM 0 H5' DA A 3 9.076 -2.134 5.434 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.320 -2.175 6.669 1.00 0.00 H new ATOM 0 H4' DA A 3 9.192 -0.192 7.015 1.00 0.00 H new ATOM 0 H3' DA A 3 9.066 -2.030 9.194 1.00 0.00 H new ATOM 0 H2' DA A 3 6.704 -2.434 8.983 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.692 -0.981 9.962 1.00 0.00 H new ATOM 0 H1' DA A 3 6.316 0.448 8.102 1.00 0.00 H new ATOM 0 H8 DA A 3 5.062 -3.170 7.585 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.154 -0.306 5.715 1.00 0.00 H new ATOM 0 H62 DA A 3 0.607 -1.884 5.942 1.00 0.00 H new ATOM 0 H2 DA A 3 2.757 2.786 6.830 1.00 0.00 H new ATOM 96 P DC A 4 9.173 0.243 10.898 1.00 0.00 P ATOM 97 OP1 DC A 4 10.491 0.869 11.137 1.00 0.00 O ATOM 98 OP2 DC A 4 8.779 -0.982 11.628 1.00 0.00 O ATOM 99 O5' DC A 4 8.034 1.358 11.105 1.00 0.00 O ATOM 100 C5' DC A 4 8.134 2.608 10.438 1.00 0.00 C ATOM 101 C4' DC A 4 6.828 3.401 10.510 1.00 0.00 C ATOM 102 O4' DC A 4 5.774 2.603 9.993 1.00 0.00 O ATOM 103 C3' DC A 4 6.456 3.848 11.929 1.00 0.00 C ATOM 104 O3' DC A 4 6.128 5.229 11.899 1.00 0.00 O ATOM 105 C2' DC A 4 5.243 2.984 12.248 1.00 0.00 C ATOM 106 C1' DC A 4 4.667 2.727 10.856 1.00 0.00 C ATOM 107 N1 DC A 4 3.805 1.516 10.733 1.00 0.00 N ATOM 108 C2 DC A 4 2.599 1.639 10.043 1.00 0.00 C ATOM 109 O2 DC A 4 2.186 2.730 9.653 1.00 0.00 O ATOM 110 N3 DC A 4 1.832 0.547 9.802 1.00 0.00 N ATOM 111 C4 DC A 4 2.200 -0.622 10.285 1.00 0.00 C ATOM 112 N4 DC A 4 1.449 -1.643 9.959 1.00 0.00 N ATOM 113 C5 DC A 4 3.352 -0.786 11.105 1.00 0.00 C ATOM 114 C6 DC A 4 4.157 0.297 11.268 1.00 0.00 C ATOM 0 H5' DC A 4 8.400 2.442 9.394 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.939 3.193 10.883 1.00 0.00 H new ATOM 0 H4' DC A 4 6.978 4.306 9.921 1.00 0.00 H new ATOM 0 H3' DC A 4 7.246 3.733 12.671 1.00 0.00 H new ATOM 0 H2' DC A 4 5.521 2.059 12.752 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.533 3.499 12.895 1.00 0.00 H new ATOM 0 H1' DC A 4 4.004 3.557 10.611 1.00 0.00 H new ATOM 0 H41 DC A 4 1.680 -2.576 10.301 1.00 0.00 H new ATOM 0 H42 DC A 4 0.633 -1.506 9.363 1.00 0.00 H new ATOM 0 H5 DC A 4 3.577 -1.731 11.578 1.00 0.00 H new ATOM 0 H6 DC A 4 5.080 0.201 11.821 1.00 0.00 H new HETATM 126 P NCX A 5 6.081 6.128 13.240 1.00 0.00 P HETATM 127 OP1 NCX A 5 6.228 7.545 12.841 1.00 0.00 O HETATM 128 OP2 NCX A 5 7.018 5.542 14.223 1.00 0.00 O HETATM 129 O5' NCX A 5 4.579 5.911 13.788 1.00 0.00 O HETATM 130 C5' NCX A 5 3.475 6.592 13.210 1.00 0.00 C HETATM 131 C4' NCX A 5 2.176 6.398 14.010 1.00 0.00 C HETATM 132 O4' NCX A 5 1.567 5.150 13.698 1.00 0.00 O HETATM 133 C1' NCX A 5 1.248 4.493 14.913 1.00 0.00 C HETATM 134 N9 NCX A 5 1.196 3.031 14.690 1.00 0.00 N HETATM 135 C8 NCX A 5 2.193 2.083 14.927 1.00 0.00 C HETATM 136 C7 NCX A 5 1.696 0.813 14.678 1.00 0.00 C HETATM 137 CO7 NCX A 5 2.518 -0.411 14.741 1.00 0.00 C HETATM 138 O7 NCX A 5 3.647 -0.487 15.164 1.00 0.00 O HETATM 139 NH7 NCX A 5 1.988 -1.525 14.238 1.00 0.00 N HETATM 140 C5 NCX A 5 0.306 1.005 14.441 1.00 0.00 C HETATM 141 C4 NCX A 5 0.065 2.345 14.406 1.00 0.00 C HETATM 142 C3 NCX A 5 -1.216 2.848 14.184 1.00 0.00 C HETATM 143 C2 NCX A 5 -2.278 1.941 14.157 1.00 0.00 C HETATM 144 C1 NCX A 5 -2.052 0.562 14.322 1.00 0.00 C HETATM 145 N1 NCX A 5 -3.197 -0.385 14.464 1.00 0.00 N HETATM 146 O11 NCX A 5 -2.933 -1.576 14.475 1.00 0.00 O HETATM 147 O12 NCX A 5 -4.321 0.085 14.534 1.00 0.00 O HETATM 148 C6 NCX A 5 -0.732 0.088 14.398 1.00 0.00 C HETATM 149 C3' NCX A 5 2.381 6.447 15.531 1.00 0.00 C HETATM 150 C2' NCX A 5 2.312 4.971 15.900 1.00 0.00 C HETATM 151 O3' NCX A 5 1.303 7.177 16.085 1.00 0.00 O HETATM 0 HH72 NCX A 5 2.518 -2.396 14.259 1.00 0.00 H new HETATM 0 HH71 NCX A 5 1.052 -1.507 13.832 1.00 0.00 H new HETATM 0 H5'' NCX A 5 3.702 7.656 13.146 1.00 0.00 H new HETATM 0 H2'' NCX A 5 2.016 4.815 16.938 1.00 0.00 H new HETATM 0 H8 NCX A 5 3.207 2.307 15.257 1.00 0.00 H new HETATM 0 H6 NCX A 5 -0.528 -0.982 14.423 1.00 0.00 H new HETATM 0 H5' NCX A 5 3.326 6.236 12.191 1.00 0.00 H new HETATM 0 H4' NCX A 5 1.538 7.232 13.719 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.299 6.920 15.879 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.384 3.915 14.036 1.00 0.00 H new HETATM 0 H2' NCX A 5 3.266 4.463 15.761 1.00 0.00 H new HETATM 0 H2 NCX A 5 -3.294 2.306 14.006 1.00 0.00 H new HETATM 0 H1' NCX A 5 0.263 4.728 15.315 1.00 0.00 H new ATOM 165 P DA A 6 1.336 7.803 17.570 1.00 0.00 P ATOM 166 OP1 DA A 6 1.619 9.249 17.473 1.00 0.00 O ATOM 167 OP2 DA A 6 2.141 6.932 18.452 1.00 0.00 O ATOM 168 O5' DA A 6 -0.202 7.600 17.976 1.00 0.00 O ATOM 169 C5' DA A 6 -1.242 8.215 17.237 1.00 0.00 C ATOM 170 C4' DA A 6 -2.602 7.587 17.563 1.00 0.00 C ATOM 171 O4' DA A 6 -2.593 6.211 17.194 1.00 0.00 O ATOM 172 C3' DA A 6 -2.984 7.690 19.040 1.00 0.00 C ATOM 173 O3' DA A 6 -4.384 7.914 19.115 1.00 0.00 O ATOM 174 C2' DA A 6 -2.532 6.334 19.569 1.00 0.00 C ATOM 175 C1' DA A 6 -2.671 5.406 18.359 1.00 0.00 C ATOM 176 N9 DA A 6 -1.640 4.335 18.309 1.00 0.00 N ATOM 177 C8 DA A 6 -0.294 4.391 18.605 1.00 0.00 C ATOM 178 N7 DA A 6 0.320 3.237 18.546 1.00 0.00 N ATOM 179 C5 DA A 6 -0.692 2.355 18.157 1.00 0.00 C ATOM 180 C6 DA A 6 -0.746 0.965 17.900 1.00 0.00 C ATOM 181 N6 DA A 6 0.296 0.153 18.007 1.00 0.00 N ATOM 182 N1 DA A 6 -1.889 0.392 17.505 1.00 0.00 N ATOM 183 C2 DA A 6 -2.963 1.170 17.374 1.00 0.00 C ATOM 184 N3 DA A 6 -3.062 2.476 17.597 1.00 0.00 N ATOM 185 C4 DA A 6 -1.879 3.017 17.991 1.00 0.00 C ATOM 0 H5' DA A 6 -1.040 8.118 16.170 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.268 9.282 17.460 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.342 8.149 16.994 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.538 8.502 19.615 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.505 6.368 19.931 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.153 6.002 20.401 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.628 4.889 18.433 1.00 0.00 H new ATOM 0 H8 DA A 6 0.211 5.310 18.864 1.00 0.00 H new ATOM 0 H61 DA A 6 0.190 -0.842 17.807 1.00 0.00 H new ATOM 0 H62 DA A 6 1.204 0.523 18.289 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.866 0.677 17.045 1.00 0.00 H new ATOM 197 P DC A 7 -5.182 8.039 20.513 1.00 0.00 P ATOM 198 OP1 DC A 7 -6.349 8.923 20.307 1.00 0.00 O ATOM 199 OP2 DC A 7 -4.211 8.321 21.592 1.00 0.00 O ATOM 200 O5' DC A 7 -5.713 6.531 20.686 1.00 0.00 O ATOM 201 C5' DC A 7 -6.647 5.986 19.768 1.00 0.00 C ATOM 202 C4' DC A 7 -6.889 4.490 19.997 1.00 0.00 C ATOM 203 O4' DC A 7 -5.682 3.764 19.763 1.00 0.00 O ATOM 204 C3' DC A 7 -7.369 4.138 21.416 1.00 0.00 C ATOM 205 O3' DC A 7 -8.367 3.136 21.304 1.00 0.00 O ATOM 206 C2' DC A 7 -6.074 3.650 22.031 1.00 0.00 C ATOM 207 C1' DC A 7 -5.509 2.869 20.845 1.00 0.00 C ATOM 208 N1 DC A 7 -4.085 2.464 21.003 1.00 0.00 N ATOM 209 C2 DC A 7 -3.722 1.142 20.718 1.00 0.00 C ATOM 210 O2 DC A 7 -4.534 0.320 20.298 1.00 0.00 O ATOM 211 N3 DC A 7 -2.444 0.726 20.918 1.00 0.00 N ATOM 212 C4 DC A 7 -1.558 1.574 21.407 1.00 0.00 C ATOM 213 N4 DC A 7 -0.336 1.126 21.555 1.00 0.00 N ATOM 214 C5 DC A 7 -1.878 2.927 21.723 1.00 0.00 C ATOM 215 C6 DC A 7 -3.149 3.336 21.500 1.00 0.00 C ATOM 0 H5' DC A 7 -6.286 6.141 18.751 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.592 6.521 19.855 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.681 4.216 19.300 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.829 4.931 22.006 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.424 4.468 22.342 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.237 3.022 22.907 1.00 0.00 H new ATOM 0 H1' DC A 7 -6.018 1.914 20.716 1.00 0.00 H new ATOM 0 H41 DC A 7 0.390 1.738 21.929 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.110 0.165 21.297 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.135 3.600 22.125 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.429 4.357 21.715 1.00 0.00 H new ATOM 227 P DG A 8 -9.214 2.589 22.561 1.00 0.00 P ATOM 228 OP1 DG A 8 -10.654 2.754 22.271 1.00 0.00 O ATOM 229 OP2 DG A 8 -8.640 3.118 23.817 1.00 0.00 O ATOM 230 O5' DG A 8 -8.861 1.025 22.477 1.00 0.00 O ATOM 231 C5' DG A 8 -9.259 0.256 21.353 1.00 0.00 C ATOM 232 C4' DG A 8 -8.997 -1.242 21.561 1.00 0.00 C ATOM 233 O4' DG A 8 -7.599 -1.477 21.545 1.00 0.00 O ATOM 234 C3' DG A 8 -9.555 -1.762 22.896 1.00 0.00 C ATOM 235 O3' DG A 8 -10.020 -3.100 22.792 1.00 0.00 O ATOM 236 C2' DG A 8 -8.332 -1.719 23.800 1.00 0.00 C ATOM 237 C1' DG A 8 -7.198 -1.974 22.808 1.00 0.00 C ATOM 238 N9 DG A 8 -5.929 -1.342 23.220 1.00 0.00 N ATOM 239 C8 DG A 8 -5.648 -0.017 23.444 1.00 0.00 C ATOM 240 N7 DG A 8 -4.405 0.213 23.781 1.00 0.00 N ATOM 241 C5 DG A 8 -3.822 -1.059 23.792 1.00 0.00 C ATOM 242 C6 DG A 8 -2.482 -1.502 24.078 1.00 0.00 C ATOM 243 O6 DG A 8 -1.477 -0.852 24.359 1.00 0.00 O ATOM 244 N1 DG A 8 -2.342 -2.877 24.023 1.00 0.00 N ATOM 245 C2 DG A 8 -3.347 -3.742 23.715 1.00 0.00 C ATOM 246 N2 DG A 8 -3.058 -5.020 23.684 1.00 0.00 N ATOM 247 N3 DG A 8 -4.595 -3.372 23.438 1.00 0.00 N ATOM 248 C4 DG A 8 -4.766 -2.017 23.486 1.00 0.00 C ATOM 0 H5' DG A 8 -8.721 0.599 20.470 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.320 0.416 21.162 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.504 -1.770 20.753 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.406 -1.179 23.248 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.228 -0.756 24.301 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.373 -2.481 24.579 1.00 0.00 H new ATOM 0 HO3' DG A 8 -10.365 -3.395 23.661 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.010 -3.047 22.767 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.387 0.765 23.350 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.423 -3.270 24.227 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.782 -5.701 23.457 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.109 -5.333 23.886 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 4.890 -8.054 25.820 1.00 0.00 O ATOM 263 C5' DC B 9 3.950 -9.066 26.123 1.00 0.00 C ATOM 264 C4' DC B 9 2.683 -8.891 25.276 1.00 0.00 C ATOM 265 O4' DC B 9 2.226 -7.545 25.382 1.00 0.00 O ATOM 266 C3' DC B 9 2.880 -9.182 23.781 1.00 0.00 C ATOM 267 O3' DC B 9 1.766 -9.956 23.368 1.00 0.00 O ATOM 268 C2' DC B 9 2.886 -7.782 23.178 1.00 0.00 C ATOM 269 C1' DC B 9 1.850 -7.120 24.083 1.00 0.00 C ATOM 270 N1 DC B 9 1.757 -5.630 24.035 1.00 0.00 N ATOM 271 C2 DC B 9 0.492 -5.057 24.217 1.00 0.00 C ATOM 272 O2 DC B 9 -0.518 -5.746 24.346 1.00 0.00 O ATOM 273 N3 DC B 9 0.344 -3.710 24.252 1.00 0.00 N ATOM 274 C4 DC B 9 1.398 -2.938 24.058 1.00 0.00 C ATOM 275 N4 DC B 9 1.182 -1.646 24.093 1.00 0.00 N ATOM 276 C5 DC B 9 2.711 -3.461 23.859 1.00 0.00 C ATOM 277 C6 DC B 9 2.853 -4.812 23.855 1.00 0.00 C ATOM 0 H5' DC B 9 3.695 -9.029 27.182 1.00 0.00 H new ATOM 0 H5'' DC B 9 4.388 -10.046 25.935 1.00 0.00 H new ATOM 0 H4' DC B 9 1.968 -9.614 25.668 1.00 0.00 H new ATOM 0 H3' DC B 9 3.776 -9.735 23.499 1.00 0.00 H new ATOM 0 H2' DC B 9 3.863 -7.303 23.238 1.00 0.00 H new ATOM 0 H2'' DC B 9 2.592 -7.776 22.128 1.00 0.00 H new ATOM 0 HO5' DC B 9 4.418 -7.244 25.534 1.00 0.00 H new ATOM 0 H1' DC B 9 0.855 -7.418 23.754 1.00 0.00 H new ATOM 0 H41 DC B 9 1.955 -0.996 23.951 1.00 0.00 H new ATOM 0 H42 DC B 9 0.241 -1.291 24.263 1.00 0.00 H new ATOM 0 H5 DC B 9 3.559 -2.808 23.717 1.00 0.00 H new ATOM 0 H6 DC B 9 3.830 -5.248 23.710 1.00 0.00 H new ATOM 290 P DG B 10 1.612 -10.550 21.877 1.00 0.00 P ATOM 291 OP1 DG B 10 1.254 -11.979 21.996 1.00 0.00 O ATOM 292 OP2 DG B 10 2.788 -10.139 21.081 1.00 0.00 O ATOM 293 O5' DG B 10 0.322 -9.731 21.357 1.00 0.00 O ATOM 294 C5' DG B 10 -0.971 -10.016 21.873 1.00 0.00 C ATOM 295 C4' DG B 10 -2.104 -9.305 21.115 1.00 0.00 C ATOM 296 O4' DG B 10 -2.113 -7.931 21.478 1.00 0.00 O ATOM 297 C3' DG B 10 -1.995 -9.408 19.588 1.00 0.00 C ATOM 298 O3' DG B 10 -3.288 -9.572 19.022 1.00 0.00 O ATOM 299 C2' DG B 10 -1.390 -8.060 19.244 1.00 0.00 C ATOM 300 C1' DG B 10 -2.023 -7.156 20.300 1.00 0.00 C ATOM 301 N9 DG B 10 -1.204 -5.956 20.561 1.00 0.00 N ATOM 302 C8 DG B 10 0.139 -5.888 20.819 1.00 0.00 C ATOM 303 N7 DG B 10 0.594 -4.677 20.983 1.00 0.00 N ATOM 304 C5 DG B 10 -0.541 -3.874 20.818 1.00 0.00 C ATOM 305 C6 DG B 10 -0.720 -2.447 20.870 1.00 0.00 C ATOM 306 O6 DG B 10 0.102 -1.558 21.079 1.00 0.00 O ATOM 307 N1 DG B 10 -2.030 -2.056 20.654 1.00 0.00 N ATOM 308 C2 DG B 10 -3.057 -2.915 20.406 1.00 0.00 C ATOM 309 N2 DG B 10 -4.242 -2.393 20.206 1.00 0.00 N ATOM 310 N3 DG B 10 -2.925 -4.239 20.330 1.00 0.00 N ATOM 311 C4 DG B 10 -1.646 -4.657 20.556 1.00 0.00 C ATOM 0 H5' DG B 10 -1.007 -9.724 22.922 1.00 0.00 H new ATOM 0 H5'' DG B 10 -1.139 -11.092 21.836 1.00 0.00 H new ATOM 0 H4' DG B 10 -3.028 -9.809 21.399 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.411 -10.250 19.217 1.00 0.00 H new ATOM 0 H2' DG B 10 -0.302 -8.070 19.313 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.642 -7.745 18.231 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.996 -6.804 19.957 1.00 0.00 H new ATOM 0 H8 DG B 10 0.768 -6.763 20.881 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.240 -1.058 20.682 1.00 0.00 H new ATOM 0 H21 DG B 10 -5.041 -2.999 20.017 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.366 -1.381 20.240 1.00 0.00 H new ATOM 323 P DT B 11 -3.510 -9.835 17.439 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.536 -10.891 17.296 1.00 0.00 O ATOM 325 OP2 DT B 11 -2.186 -10.000 16.802 1.00 0.00 O ATOM 326 O5' DT B 11 -4.139 -8.440 16.920 1.00 0.00 O ATOM 327 C5' DT B 11 -5.504 -8.128 17.165 1.00 0.00 C ATOM 328 C4' DT B 11 -5.936 -6.793 16.545 1.00 0.00 C ATOM 329 O4' DT B 11 -5.251 -5.762 17.240 1.00 0.00 O ATOM 330 C3' DT B 11 -5.704 -6.684 15.042 1.00 0.00 C ATOM 331 O3' DT B 11 -6.931 -6.302 14.432 1.00 0.00 O ATOM 332 C2' DT B 11 -4.717 -5.542 14.965 1.00 0.00 C ATOM 333 C1' DT B 11 -4.765 -4.827 16.311 1.00 0.00 C ATOM 334 N1 DT B 11 -3.443 -4.306 16.744 1.00 0.00 N ATOM 335 C2 DT B 11 -3.353 -2.950 17.064 1.00 0.00 C ATOM 336 O2 DT B 11 -4.321 -2.196 17.117 1.00 0.00 O ATOM 337 N3 DT B 11 -2.092 -2.462 17.321 1.00 0.00 N ATOM 338 C4 DT B 11 -0.925 -3.197 17.328 1.00 0.00 C ATOM 339 O4 DT B 11 0.126 -2.607 17.561 1.00 0.00 O ATOM 340 C5 DT B 11 -1.095 -4.627 17.057 1.00 0.00 C ATOM 341 C7 DT B 11 0.102 -5.571 17.086 1.00 0.00 C ATOM 342 C6 DT B 11 -2.331 -5.123 16.777 1.00 0.00 C ATOM 0 H5' DT B 11 -5.676 -8.095 18.241 1.00 0.00 H new ATOM 0 H5'' DT B 11 -6.130 -8.926 16.767 1.00 0.00 H new ATOM 0 H4' DT B 11 -7.017 -6.707 16.654 1.00 0.00 H new ATOM 0 H3' DT B 11 -5.357 -7.597 14.557 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.713 -5.912 14.760 1.00 0.00 H new ATOM 0 H2'' DT B 11 -4.977 -4.860 14.155 1.00 0.00 H new ATOM 0 H1' DT B 11 -5.408 -3.951 16.233 1.00 0.00 H new ATOM 0 H3 DT B 11 -2.013 -1.466 17.525 1.00 0.00 H new ATOM 0 H71 DT B 11 1.001 -5.028 16.794 1.00 0.00 H new ATOM 0 H72 DT B 11 0.229 -5.967 18.094 1.00 0.00 H new ATOM 0 H73 DT B 11 -0.067 -6.394 16.391 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.444 -6.178 16.576 1.00 0.00 H new ATOM 355 P DT B 12 -7.169 -6.358 12.833 1.00 0.00 P ATOM 356 OP1 DT B 12 -8.585 -6.716 12.598 1.00 0.00 O ATOM 357 OP2 DT B 12 -6.087 -7.159 12.223 1.00 0.00 O ATOM 358 O5' DT B 12 -6.960 -4.825 12.398 1.00 0.00 O ATOM 359 C5' DT B 12 -7.816 -3.804 12.887 1.00 0.00 C ATOM 360 C4' DT B 12 -7.456 -2.431 12.303 1.00 0.00 C ATOM 361 O4' DT B 12 -6.106 -2.129 12.640 1.00 0.00 O ATOM 362 C3' DT B 12 -7.597 -2.365 10.773 1.00 0.00 C ATOM 363 O3' DT B 12 -8.145 -1.105 10.395 1.00 0.00 O ATOM 364 C2' DT B 12 -6.143 -2.494 10.344 1.00 0.00 C ATOM 365 C1' DT B 12 -5.459 -1.703 11.458 1.00 0.00 C ATOM 366 N1 DT B 12 -3.990 -1.920 11.523 1.00 0.00 N ATOM 367 C2 DT B 12 -3.171 -0.787 11.454 1.00 0.00 C ATOM 368 O2 DT B 12 -3.586 0.359 11.328 1.00 0.00 O ATOM 369 N3 DT B 12 -1.819 -0.976 11.621 1.00 0.00 N ATOM 370 C4 DT B 12 -1.222 -2.165 11.970 1.00 0.00 C ATOM 371 O4 DT B 12 -0.047 -2.155 12.336 1.00 0.00 O ATOM 372 C5 DT B 12 -2.108 -3.323 11.918 1.00 0.00 C ATOM 373 C7 DT B 12 -1.505 -4.690 12.131 1.00 0.00 C ATOM 374 C6 DT B 12 -3.446 -3.178 11.710 1.00 0.00 C ATOM 0 H5' DT B 12 -7.751 -3.765 13.974 1.00 0.00 H new ATOM 0 H5'' DT B 12 -8.849 -4.046 12.638 1.00 0.00 H new ATOM 0 H4' DT B 12 -8.156 -1.711 12.728 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.253 -3.114 10.330 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.811 -3.532 10.307 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.961 -2.066 9.358 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.551 -0.630 11.290 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.211 -0.170 11.474 1.00 0.00 H new ATOM 0 H71 DT B 12 -2.246 -5.348 12.584 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.191 -5.103 11.172 1.00 0.00 H new ATOM 0 H73 DT B 12 -0.641 -4.608 12.791 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.085 -4.049 11.691 1.00 0.00 H new ATOM 387 P DG B 13 -8.794 -0.843 8.933 1.00 0.00 P ATOM 388 OP1 DG B 13 -10.259 -0.740 9.089 1.00 0.00 O ATOM 389 OP2 DG B 13 -8.216 -1.814 7.979 1.00 0.00 O ATOM 390 O5' DG B 13 -8.219 0.609 8.533 1.00 0.00 O ATOM 391 C5' DG B 13 -8.687 1.791 9.165 1.00 0.00 C ATOM 392 C4' DG B 13 -7.739 2.984 8.953 1.00 0.00 C ATOM 393 O4' DG B 13 -6.456 2.616 9.447 1.00 0.00 O ATOM 394 C3' DG B 13 -7.572 3.471 7.503 1.00 0.00 C ATOM 395 O3' DG B 13 -7.395 4.884 7.491 1.00 0.00 O ATOM 396 C2' DG B 13 -6.334 2.721 7.091 1.00 0.00 C ATOM 397 C1' DG B 13 -5.529 2.620 8.377 1.00 0.00 C ATOM 398 N9 DG B 13 -4.689 1.405 8.336 1.00 0.00 N ATOM 399 C8 DG B 13 -5.021 0.110 8.021 1.00 0.00 C ATOM 400 N7 DG B 13 -4.010 -0.718 8.022 1.00 0.00 N ATOM 401 C5 DG B 13 -2.921 0.095 8.348 1.00 0.00 C ATOM 402 C6 DG B 13 -1.536 -0.207 8.580 1.00 0.00 C ATOM 403 O6 DG B 13 -0.947 -1.287 8.583 1.00 0.00 O ATOM 404 N1 DG B 13 -0.792 0.906 8.914 1.00 0.00 N ATOM 405 C2 DG B 13 -1.292 2.170 9.003 1.00 0.00 C ATOM 406 N2 DG B 13 -0.470 3.151 9.280 1.00 0.00 N ATOM 407 N3 DG B 13 -2.562 2.489 8.794 1.00 0.00 N ATOM 408 C4 DG B 13 -3.331 1.402 8.498 1.00 0.00 C ATOM 0 H5' DG B 13 -8.802 1.607 10.233 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.674 2.041 8.776 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.197 3.818 9.485 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.417 3.292 6.838 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.577 1.736 6.692 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.784 3.253 6.315 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.847 3.460 8.507 1.00 0.00 H new ATOM 0 H8 DG B 13 -6.031 -0.198 7.792 1.00 0.00 H new ATOM 0 H1 DG B 13 0.201 0.773 9.108 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.821 4.106 9.352 1.00 0.00 H new ATOM 0 H22 DG B 13 0.522 2.960 9.424 1.00 0.00 H new ATOM 420 P DT B 14 -7.157 5.739 6.134 1.00 0.00 P ATOM 421 OP1 DT B 14 -7.933 6.993 6.241 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.349 4.848 4.969 1.00 0.00 O ATOM 423 O5' DT B 14 -5.585 6.111 6.218 1.00 0.00 O ATOM 424 C5' DT B 14 -5.108 6.998 7.221 1.00 0.00 C ATOM 425 C4' DT B 14 -3.607 7.310 7.112 1.00 0.00 C ATOM 426 O4' DT B 14 -2.855 6.114 7.272 1.00 0.00 O ATOM 427 C3' DT B 14 -3.181 7.965 5.790 1.00 0.00 C ATOM 428 O3' DT B 14 -2.202 8.958 6.061 1.00 0.00 O ATOM 429 C2' DT B 14 -2.622 6.786 5.017 1.00 0.00 C ATOM 430 C1' DT B 14 -2.024 5.933 6.139 1.00 0.00 C ATOM 431 N1 DT B 14 -1.946 4.485 5.816 1.00 0.00 N ATOM 432 C2 DT B 14 -0.733 3.825 6.037 1.00 0.00 C ATOM 433 O2 DT B 14 0.288 4.385 6.422 1.00 0.00 O ATOM 434 N3 DT B 14 -0.712 2.470 5.795 1.00 0.00 N ATOM 435 C4 DT B 14 -1.769 1.721 5.320 1.00 0.00 C ATOM 436 O4 DT B 14 -1.600 0.519 5.144 1.00 0.00 O ATOM 437 C5 DT B 14 -2.999 2.472 5.079 1.00 0.00 C ATOM 438 C7 DT B 14 -4.235 1.766 4.542 1.00 0.00 C ATOM 439 C6 DT B 14 -3.049 3.806 5.338 1.00 0.00 C ATOM 0 H5' DT B 14 -5.309 6.565 8.201 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.668 7.931 7.164 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.408 8.032 7.904 1.00 0.00 H new ATOM 0 H3' DT B 14 -3.972 8.477 5.241 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.397 6.253 4.467 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.869 7.093 4.291 1.00 0.00 H new ATOM 0 H1' DT B 14 -0.996 6.255 6.306 1.00 0.00 H new ATOM 0 H3 DT B 14 0.161 1.977 5.983 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.932 0.924 3.920 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.837 1.403 5.375 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.823 2.464 3.946 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.969 4.345 5.166 1.00 0.00 H new ATOM 452 P DA B 15 -1.552 9.877 4.898 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.156 11.169 5.498 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.452 9.850 3.724 1.00 0.00 O ATOM 455 O5' DA B 15 -0.213 9.056 4.527 1.00 0.00 O ATOM 456 C5' DA B 15 0.894 9.030 5.416 1.00 0.00 C ATOM 457 C4' DA B 15 2.086 8.243 4.856 1.00 0.00 C ATOM 458 O4' DA B 15 1.789 6.851 4.839 1.00 0.00 O ATOM 459 C3' DA B 15 2.480 8.664 3.435 1.00 0.00 C ATOM 460 O3' DA B 15 3.876 8.931 3.396 1.00 0.00 O ATOM 461 C2' DA B 15 2.106 7.431 2.627 1.00 0.00 C ATOM 462 C1' DA B 15 2.290 6.300 3.638 1.00 0.00 C ATOM 463 N9 DA B 15 1.538 5.067 3.296 1.00 0.00 N ATOM 464 C8 DA B 15 0.220 4.950 2.920 1.00 0.00 C ATOM 465 N7 DA B 15 -0.180 3.724 2.717 1.00 0.00 N ATOM 466 C5 DA B 15 0.970 2.969 2.979 1.00 0.00 C ATOM 467 C6 DA B 15 1.265 1.585 2.974 1.00 0.00 C ATOM 468 N6 DA B 15 0.368 0.641 2.736 1.00 0.00 N ATOM 469 N1 DA B 15 2.502 1.147 3.235 1.00 0.00 N ATOM 470 C2 DA B 15 3.432 2.052 3.527 1.00 0.00 C ATOM 471 N3 DA B 15 3.300 3.375 3.587 1.00 0.00 N ATOM 472 C4 DA B 15 2.026 3.777 3.309 1.00 0.00 C ATOM 0 H5' DA B 15 0.584 8.587 6.362 1.00 0.00 H new ATOM 0 H5'' DA B 15 1.207 10.052 5.630 1.00 0.00 H new ATOM 0 H4' DA B 15 2.925 8.462 5.516 1.00 0.00 H new ATOM 0 H3' DA B 15 1.997 9.568 3.064 1.00 0.00 H new ATOM 0 H2' DA B 15 1.081 7.483 2.259 1.00 0.00 H new ATOM 0 H2'' DA B 15 2.751 7.306 1.757 1.00 0.00 H new ATOM 0 H1' DA B 15 3.332 5.982 3.683 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.431 5.803 2.802 1.00 0.00 H new ATOM 0 H61 DA B 15 0.645 -0.341 2.747 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.601 0.895 2.542 1.00 0.00 H new ATOM 0 H2 DA B 15 4.417 1.665 3.742 1.00 0.00 H new ATOM 484 P DC B 16 4.600 9.544 2.088 1.00 0.00 P ATOM 485 OP1 DC B 16 5.732 10.392 2.519 1.00 0.00 O ATOM 486 OP2 DC B 16 3.572 10.080 1.170 1.00 0.00 O ATOM 487 O5' DC B 16 5.202 8.212 1.425 1.00 0.00 O ATOM 488 C5' DC B 16 6.341 7.580 1.980 1.00 0.00 C ATOM 489 C4' DC B 16 6.685 6.301 1.216 1.00 0.00 C ATOM 490 O4' DC B 16 5.802 5.254 1.564 1.00 0.00 O ATOM 491 C3' DC B 16 6.590 6.432 -0.306 1.00 0.00 C ATOM 492 O3' DC B 16 7.764 6.985 -0.873 1.00 0.00 O ATOM 493 C2' DC B 16 6.406 4.979 -0.721 1.00 0.00 C ATOM 494 C1' DC B 16 5.809 4.299 0.520 1.00 0.00 C ATOM 495 N1 DC B 16 4.419 3.835 0.282 1.00 0.00 N ATOM 496 C2 DC B 16 4.170 2.461 0.219 1.00 0.00 C ATOM 497 O2 DC B 16 5.064 1.633 0.379 1.00 0.00 O ATOM 498 N3 DC B 16 2.919 2.012 -0.043 1.00 0.00 N ATOM 499 C4 DC B 16 1.942 2.882 -0.226 1.00 0.00 C ATOM 500 N4 DC B 16 0.751 2.371 -0.407 1.00 0.00 N ATOM 501 C5 DC B 16 2.145 4.295 -0.194 1.00 0.00 C ATOM 502 C6 DC B 16 3.405 4.734 0.065 1.00 0.00 C ATOM 0 H5' DC B 16 6.156 7.343 3.028 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.190 8.263 1.953 1.00 0.00 H new ATOM 0 H4' DC B 16 7.718 6.096 1.497 1.00 0.00 H new ATOM 0 H3' DC B 16 5.796 7.102 -0.637 1.00 0.00 H new ATOM 0 H2' DC B 16 5.741 4.892 -1.580 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.355 4.524 -1.006 1.00 0.00 H new ATOM 0 HO3' DC B 16 7.659 7.048 -1.845 1.00 0.00 H new ATOM 0 H1' DC B 16 6.409 3.424 0.770 1.00 0.00 H new ATOM 0 H41 DC B 16 -0.050 2.985 -0.554 1.00 0.00 H new ATOM 0 H42 DC B 16 0.624 1.359 -0.401 1.00 0.00 H new ATOM 0 H5 DC B 16 1.333 4.985 -0.368 1.00 0.00 H new ATOM 0 H6 DC B 16 3.609 5.794 0.100 1.00 0.00 H new TER 515 DC B 16