USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 253 hydrogens (139 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 10 DT C7 :methyl 150:sc= -1.9 (180deg=-1.9) USER MOD Single : A 10 DT O3' : rot 180:sc= 0 USER MOD Single : B 13 DT C7 :methyl 150:sc= -0.213 (180deg=-0.213) USER MOD Single : B 20 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C5' XTY A 1 -13.642 -2.394 -9.155 1.00 0.00 C HETATM 2 C4' XTY A 1 -13.557 -3.596 -8.217 1.00 0.00 C HETATM 3 O4' XTY A 1 -13.075 -4.727 -8.956 1.00 0.00 O HETATM 4 C3' XTY A 1 -12.583 -3.433 -7.056 1.00 0.00 C HETATM 5 C2' XTY A 1 -11.305 -4.083 -7.554 1.00 0.00 C HETATM 6 C1' XTY A 1 -11.838 -5.222 -8.421 1.00 0.00 C HETATM 7 O5' XTY A 1 -13.130 -1.206 -8.545 1.00 0.00 O HETATM 8 C2 XTY A 1 -9.867 -8.912 -8.818 1.00 0.00 C HETATM 9 O2 XTY A 1 -10.035 -9.801 -7.988 1.00 0.00 O HETATM 10 N3 XTY A 1 -9.033 -9.097 -9.906 1.00 0.00 N HETATM 11 C4 XTY A 1 -8.793 -8.147 -10.877 1.00 0.00 C HETATM 12 O4 XTY A 1 -8.034 -8.388 -11.813 1.00 0.00 O HETATM 13 C5 XTY A 1 -9.440 -6.911 -10.755 1.00 0.00 C HETATM 14 C6 XTY A 1 -10.303 -6.688 -9.652 1.00 0.00 C HETATM 15 N XTY A 1 -10.514 -7.684 -8.689 1.00 0.00 N HETATM 16 CP XTY A 1 -9.228 -5.903 -11.723 1.00 0.00 C HETATM 17 CD XTY A 1 -10.738 -4.448 -10.497 1.00 0.00 C HETATM 18 C8 XTY A 1 -10.968 -5.442 -9.511 1.00 0.00 C HETATM 19 C7 XTY A 1 -9.881 -4.678 -11.585 1.00 0.00 C HETATM 20 C7A XTY A 1 -9.661 -3.579 -12.623 1.00 0.00 C HETATM 21 O3' XTY A 1 -13.071 -4.239 -5.977 1.00 0.00 O HETATM 0 H7A3 XTY A 1 -8.604 -3.314 -12.654 1.00 0.00 H new HETATM 0 H7A2 XTY A 1 -9.974 -3.937 -13.604 1.00 0.00 H new HETATM 0 H7A1 XTY A 1 -10.248 -2.701 -12.353 1.00 0.00 H new HETATM 0 H5'2 XTY A 1 -13.083 -2.604 -10.067 1.00 0.00 H new HETATM 0 H5'1 XTY A 1 -14.680 -2.234 -9.447 1.00 0.00 H new HETATM 0 H2'2 XTY A 1 -10.691 -3.388 -8.127 1.00 0.00 H new HETATM 0 H2'1 XTY A 1 -10.689 -4.450 -6.733 1.00 0.00 H new HETATM 0 HP XTY A 1 -8.562 -6.081 -12.567 1.00 0.00 H new HETATM 0 HN3 XTY A 1 -8.563 -9.998 -9.997 1.00 0.00 H new HETATM 0 HN XTY A 1 -11.136 -7.512 -7.900 1.00 0.00 H new HETATM 0 HD XTY A 1 -11.238 -3.484 -10.408 1.00 0.00 H new HETATM 0 H4' XTY A 1 -14.563 -3.712 -7.814 1.00 0.00 H new HETATM 0 H3' XTY A 1 -12.453 -2.398 -6.739 1.00 0.00 H new HETATM 0 H1' XTY A 1 -11.940 -6.145 -7.851 1.00 0.00 H new ATOM 37 P DG A 2 -12.786 -3.817 -4.446 1.00 0.00 P ATOM 38 OP1 DG A 2 -11.610 -2.919 -4.423 1.00 0.00 O ATOM 39 OP2 DG A 2 -14.062 -3.375 -3.844 1.00 0.00 O ATOM 40 O5' DG A 2 -12.361 -5.212 -3.758 1.00 0.00 O ATOM 41 C5' DG A 2 -12.615 -6.467 -4.400 1.00 0.00 C ATOM 42 C4' DG A 2 -11.756 -7.584 -3.809 1.00 0.00 C ATOM 43 O4' DG A 2 -10.884 -8.095 -4.832 1.00 0.00 O ATOM 44 C3' DG A 2 -10.826 -7.143 -2.680 1.00 0.00 C ATOM 45 O3' DG A 2 -10.593 -8.288 -1.852 1.00 0.00 O ATOM 46 C2' DG A 2 -9.523 -6.836 -3.397 1.00 0.00 C ATOM 47 C1' DG A 2 -9.509 -7.919 -4.464 1.00 0.00 C ATOM 48 N9 DG A 2 -8.737 -7.521 -5.657 1.00 0.00 N ATOM 49 C8 DG A 2 -8.733 -6.315 -6.307 1.00 0.00 C ATOM 50 N7 DG A 2 -7.933 -6.273 -7.333 1.00 0.00 N ATOM 51 C5 DG A 2 -7.366 -7.541 -7.367 1.00 0.00 C ATOM 52 C6 DG A 2 -6.415 -8.086 -8.269 1.00 0.00 C ATOM 53 O6 DG A 2 -5.871 -7.538 -9.224 1.00 0.00 O ATOM 54 N1 DG A 2 -6.108 -9.399 -7.953 1.00 0.00 N ATOM 55 C2 DG A 2 -6.644 -10.106 -6.901 1.00 0.00 C ATOM 56 N2 DG A 2 -6.224 -11.361 -6.740 1.00 0.00 N ATOM 57 N3 DG A 2 -7.540 -9.604 -6.048 1.00 0.00 N ATOM 58 C4 DG A 2 -7.852 -8.317 -6.343 1.00 0.00 C ATOM 0 H5' DG A 2 -12.413 -6.378 -5.467 1.00 0.00 H new ATOM 0 H5'' DG A 2 -13.669 -6.723 -4.295 1.00 0.00 H new ATOM 0 H4' DG A 2 -12.469 -8.309 -3.417 1.00 0.00 H new ATOM 0 H3' DG A 2 -11.212 -6.313 -2.087 1.00 0.00 H new ATOM 0 H2' DG A 2 -9.516 -5.835 -3.827 1.00 0.00 H new ATOM 0 H2'' DG A 2 -8.662 -6.903 -2.732 1.00 0.00 H new ATOM 0 H1' DG A 2 -9.040 -8.825 -4.081 1.00 0.00 H new ATOM 0 H8 DG A 2 -9.338 -5.476 -5.997 1.00 0.00 H new ATOM 0 H1 DG A 2 -5.432 -9.880 -8.546 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.591 -11.927 -5.975 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.536 -11.755 -7.382 1.00 0.00 H new HETATM 70 P XTY A 3 -10.640 -8.166 -0.245 1.00 0.00 P HETATM 71 OP1 XTY A 3 -10.674 -9.533 0.322 1.00 0.00 O HETATM 72 OP2 XTY A 3 -11.695 -7.191 0.116 1.00 0.00 O HETATM 73 C5' XTY A 3 -7.996 -8.141 -0.318 1.00 0.00 C HETATM 74 C4' XTY A 3 -6.767 -7.478 0.298 1.00 0.00 C HETATM 75 O4' XTY A 3 -5.835 -7.170 -0.744 1.00 0.00 O HETATM 76 C3' XTY A 3 -7.036 -6.155 0.997 1.00 0.00 C HETATM 77 C2' XTY A 3 -6.765 -5.113 -0.076 1.00 0.00 C HETATM 78 C1' XTY A 3 -5.633 -5.752 -0.886 1.00 0.00 C HETATM 79 O5' XTY A 3 -9.210 -7.511 0.103 1.00 0.00 O HETATM 80 C2 XTY A 3 -3.527 -8.054 -3.588 1.00 0.00 C HETATM 81 O2 XTY A 3 -2.809 -8.963 -3.183 1.00 0.00 O HETATM 82 N3 XTY A 3 -3.641 -7.777 -4.939 1.00 0.00 N HETATM 83 C4 XTY A 3 -4.415 -6.764 -5.468 1.00 0.00 C HETATM 84 O4 XTY A 3 -4.450 -6.569 -6.678 1.00 0.00 O HETATM 85 C5 XTY A 3 -5.138 -5.966 -4.578 1.00 0.00 C HETATM 86 C6 XTY A 3 -5.042 -6.227 -3.191 1.00 0.00 C HETATM 87 N XTY A 3 -4.245 -7.259 -2.699 1.00 0.00 N HETATM 88 CP XTY A 3 -5.951 -4.917 -5.060 1.00 0.00 C HETATM 89 CD XTY A 3 -6.571 -4.389 -2.767 1.00 0.00 C HETATM 90 C8 XTY A 3 -5.758 -5.443 -2.262 1.00 0.00 C HETATM 91 C7 XTY A 3 -6.663 -4.135 -4.149 1.00 0.00 C HETATM 92 C7A XTY A 3 -7.545 -2.996 -4.655 1.00 0.00 C HETATM 93 O3' XTY A 3 -6.036 -6.007 2.010 1.00 0.00 O HETATM 0 H7A3 XTY A 3 -6.934 -2.277 -5.201 1.00 0.00 H new HETATM 0 H7A2 XTY A 3 -8.312 -3.397 -5.317 1.00 0.00 H new HETATM 0 H7A1 XTY A 3 -8.020 -2.500 -3.809 1.00 0.00 H new HETATM 0 H5'2 XTY A 3 -7.924 -8.100 -1.405 1.00 0.00 H new HETATM 0 H5'1 XTY A 3 -8.018 -9.195 -0.039 1.00 0.00 H new HETATM 0 H2'2 XTY A 3 -7.646 -4.925 -0.690 1.00 0.00 H new HETATM 0 H2'1 XTY A 3 -6.466 -4.157 0.354 1.00 0.00 H new HETATM 0 HP XTY A 3 -6.022 -4.720 -6.130 1.00 0.00 H new HETATM 0 HN3 XTY A 3 -3.116 -8.362 -5.589 1.00 0.00 H new HETATM 0 HN XTY A 3 -4.188 -7.430 -1.695 1.00 0.00 H new HETATM 0 HD XTY A 3 -7.133 -3.767 -2.071 1.00 0.00 H new HETATM 0 H4' XTY A 3 -6.403 -8.193 1.036 1.00 0.00 H new HETATM 0 H3' XTY A 3 -8.033 -6.078 1.430 1.00 0.00 H new HETATM 0 H1' XTY A 3 -4.661 -5.401 -0.540 1.00 0.00 H new ATOM 108 P DA A 4 -6.345 -6.457 3.527 1.00 0.00 P ATOM 109 OP1 DA A 4 -6.714 -5.250 4.299 1.00 0.00 O ATOM 110 OP2 DA A 4 -7.264 -7.617 3.491 1.00 0.00 O ATOM 111 O5' DA A 4 -4.909 -6.966 4.047 1.00 0.00 O ATOM 112 C5' DA A 4 -4.493 -8.323 3.852 1.00 0.00 C ATOM 113 C4' DA A 4 -2.986 -8.474 4.032 1.00 0.00 C ATOM 114 O4' DA A 4 -2.345 -8.176 2.780 1.00 0.00 O ATOM 115 C3' DA A 4 -2.365 -7.505 5.035 1.00 0.00 C ATOM 116 O3' DA A 4 -1.158 -8.099 5.527 1.00 0.00 O ATOM 117 C2' DA A 4 -1.958 -6.319 4.184 1.00 0.00 C ATOM 118 C1' DA A 4 -1.541 -6.992 2.880 1.00 0.00 C ATOM 119 N9 DA A 4 -1.795 -6.129 1.710 1.00 0.00 N ATOM 120 C8 DA A 4 -2.775 -5.182 1.548 1.00 0.00 C ATOM 121 N7 DA A 4 -2.683 -4.520 0.432 1.00 0.00 N ATOM 122 C5 DA A 4 -1.568 -5.066 -0.188 1.00 0.00 C ATOM 123 C6 DA A 4 -0.939 -4.794 -1.407 1.00 0.00 C ATOM 124 N6 DA A 4 -1.333 -3.829 -2.233 1.00 0.00 N ATOM 125 N1 DA A 4 0.142 -5.518 -1.733 1.00 0.00 N ATOM 126 C2 DA A 4 0.568 -6.449 -0.892 1.00 0.00 C ATOM 127 N3 DA A 4 0.071 -6.801 0.287 1.00 0.00 N ATOM 128 C4 DA A 4 -1.018 -6.053 0.578 1.00 0.00 C ATOM 0 H5' DA A 4 -4.776 -8.652 2.852 1.00 0.00 H new ATOM 0 H5'' DA A 4 -5.012 -8.970 4.559 1.00 0.00 H new ATOM 0 H4' DA A 4 -2.839 -9.493 4.391 1.00 0.00 H new ATOM 0 H3' DA A 4 -3.030 -7.253 5.861 1.00 0.00 H new ATOM 0 H2' DA A 4 -2.782 -5.620 4.037 1.00 0.00 H new ATOM 0 H2'' DA A 4 -1.139 -5.757 4.633 1.00 0.00 H new ATOM 0 H1' DA A 4 -0.472 -7.205 2.888 1.00 0.00 H new ATOM 0 H8 DA A 4 -3.550 -5.003 2.279 1.00 0.00 H new ATOM 0 H61 DA A 4 -0.837 -3.675 -3.111 1.00 0.00 H new ATOM 0 H62 DA A 4 -2.132 -3.243 -1.989 1.00 0.00 H new ATOM 0 H2 DA A 4 1.442 -6.998 -1.211 1.00 0.00 H new HETATM 140 P XCS A 5 -0.542 -7.649 6.949 1.00 0.00 P HETATM 141 OP2 XCS A 5 -1.507 -6.742 7.611 1.00 0.00 O HETATM 142 C6 XCS A 5 0.539 -2.746 2.119 1.00 0.00 C HETATM 143 C2 XCS A 5 1.789 -2.279 0.118 1.00 0.00 C HETATM 144 O2 XCS A 5 2.864 -2.275 -0.478 1.00 0.00 O HETATM 145 N3 XCS A 5 0.640 -1.844 -0.494 1.00 0.00 N HETATM 146 C4 XCS A 5 -0.538 -1.845 0.146 1.00 0.00 C HETATM 147 N4 XCS A 5 -1.610 -1.415 -0.520 1.00 0.00 N HETATM 148 C5 XCS A 5 -0.633 -2.301 1.495 1.00 0.00 C HETATM 149 OP1 XCS A 5 -0.068 -8.861 7.654 1.00 0.00 O HETATM 150 O5' XCS A 5 0.748 -6.780 6.520 1.00 0.00 O HETATM 151 C5' XCS A 5 1.319 -6.919 5.214 1.00 0.00 C HETATM 152 C4' XCS A 5 2.311 -5.804 4.895 1.00 0.00 C HETATM 153 O4' XCS A 5 1.831 -5.066 3.763 1.00 0.00 O HETATM 154 C1' XCS A 5 1.727 -3.664 4.044 1.00 0.00 C HETATM 155 ND XCS A 5 1.743 -2.737 1.437 1.00 0.00 N HETATM 156 CP XCS A 5 -1.869 -2.304 2.172 1.00 0.00 C HETATM 157 CD XCS A 5 -0.751 -3.209 4.126 1.00 0.00 C HETATM 158 C8 XCS A 5 0.510 -3.213 3.456 1.00 0.00 C HETATM 159 C7 XCS A 5 -1.919 -2.759 3.486 1.00 0.00 C HETATM 160 C7A XCS A 5 -3.250 -2.773 4.232 1.00 0.00 C HETATM 161 C2' XCS A 5 1.695 -3.569 5.575 1.00 0.00 C HETATM 162 C3' XCS A 5 2.516 -4.778 6.004 1.00 0.00 C HETATM 163 O3' XCS A 5 3.892 -4.398 5.975 1.00 0.00 O HETATM 0 HN42 XCS A 5 -2.522 -1.402 -0.064 1.00 0.00 H new HETATM 0 HN41 XCS A 5 -1.518 -1.099 -1.485 1.00 0.00 H new HETATM 0 H7A3 XCS A 5 -3.647 -1.759 4.287 1.00 0.00 H new HETATM 0 H7A2 XCS A 5 -3.957 -3.412 3.703 1.00 0.00 H new HETATM 0 H7A1 XCS A 5 -3.098 -3.158 5.240 1.00 0.00 H new HETATM 0 H5'2 XCS A 5 1.823 -7.883 5.141 1.00 0.00 H new HETATM 0 H5'1 XCS A 5 0.523 -6.918 4.470 1.00 0.00 H new HETATM 0 H2'2 XCS A 5 2.132 -2.636 5.932 1.00 0.00 H new HETATM 0 H2'1 XCS A 5 0.677 -3.613 5.962 1.00 0.00 H new HETATM 0 HP XCS A 5 -2.773 -1.955 1.673 1.00 0.00 H new HETATM 0 HND XCS A 5 2.594 -3.063 1.896 1.00 0.00 H new HETATM 0 HD XCS A 5 -0.809 -3.562 5.155 1.00 0.00 H new HETATM 0 H4' XCS A 5 3.260 -6.314 4.731 1.00 0.00 H new HETATM 0 H3' XCS A 5 2.238 -5.149 6.991 1.00 0.00 H new HETATM 0 H1' XCS A 5 2.541 -3.056 3.649 1.00 0.00 H new HETATM 179 P XGA A 6 4.919 -5.000 7.061 1.00 0.00 P HETATM 180 OP1 XGA A 6 5.506 -6.240 6.509 1.00 0.00 O HETATM 181 OP2 XGA A 6 4.241 -5.025 8.378 1.00 0.00 O HETATM 182 C5' XGA A 6 6.743 -3.478 5.915 1.00 0.00 C HETATM 183 O5' XGA A 6 6.064 -3.874 7.109 1.00 0.00 O HETATM 184 C4' XGA A 6 7.141 -2.009 5.969 1.00 0.00 C HETATM 185 O4' XGA A 6 6.071 -1.222 5.428 1.00 0.00 O HETATM 186 C3' XGA A 6 7.379 -1.467 7.378 1.00 0.00 C HETATM 187 C2' XGA A 6 6.081 -0.754 7.729 1.00 0.00 C HETATM 188 C1' XGA A 6 5.623 -0.241 6.369 1.00 0.00 C HETATM 189 N9 XGA A 6 4.182 -0.070 6.255 1.00 0.00 N HETATM 190 C8 XGA A 6 3.235 -0.396 7.198 1.00 0.00 C HETATM 191 N7 XGA A 6 2.020 -0.102 6.797 1.00 0.00 N HETATM 192 C4 XGA A 6 2.986 1.468 3.043 1.00 0.00 C HETATM 193 C5 XGA A 6 1.621 1.450 3.398 1.00 0.00 C HETATM 194 N3 XGA A 6 3.416 1.947 1.870 1.00 0.00 N HETATM 195 C2 XGA A 6 2.480 2.422 1.019 1.00 0.00 C HETATM 196 N2 XGA A 6 2.898 2.909 -0.173 1.00 0.00 N HETATM 197 N1 XGA A 6 1.158 2.441 1.278 1.00 0.00 N HETATM 198 C6 XGA A 6 0.690 1.951 2.483 1.00 0.00 C HETATM 199 O6 XGA A 6 -0.517 1.964 2.728 1.00 0.00 O HETATM 200 C10 XGA A 6 3.517 0.472 5.175 1.00 0.00 C HETATM 201 C11 XGA A 6 2.174 0.437 5.548 1.00 0.00 C HETATM 202 CP XGA A 6 1.208 0.929 4.655 1.00 0.00 C HETATM 203 CD XGA A 6 3.939 0.982 3.935 1.00 0.00 C HETATM 204 O3' XGA A 6 8.398 -0.470 7.276 1.00 0.00 O HETATM 0 HN22 XGA A 6 2.219 3.276 -0.840 1.00 0.00 H new HETATM 0 HN21 XGA A 6 3.892 2.909 -0.404 1.00 0.00 H new HETATM 0 H5'2 XGA A 6 7.632 -4.094 5.778 1.00 0.00 H new HETATM 0 H5'1 XGA A 6 6.099 -3.652 5.053 1.00 0.00 H new HETATM 0 H2'2 XGA A 6 5.352 -1.430 8.176 1.00 0.00 H new HETATM 0 H2'1 XGA A 6 6.241 0.058 8.439 1.00 0.00 H new HETATM 0 HP XGA A 6 0.152 0.912 4.923 1.00 0.00 H new HETATM 0 HN1 XGA A 6 0.506 2.815 0.589 1.00 0.00 H new HETATM 0 HD XGA A 6 4.997 0.997 3.675 1.00 0.00 H new HETATM 0 H8 XGA A 6 3.466 -0.845 8.164 1.00 0.00 H new HETATM 0 H4' XGA A 6 8.075 -1.942 5.411 1.00 0.00 H new HETATM 0 H3' XGA A 6 7.659 -2.235 8.100 1.00 0.00 H new HETATM 0 H1' XGA A 6 6.037 0.753 6.197 1.00 0.00 H new ATOM 218 P DC A 7 9.937 -0.845 7.563 1.00 0.00 P ATOM 219 OP1 DC A 7 10.226 -2.150 6.922 1.00 0.00 O ATOM 220 OP2 DC A 7 10.198 -0.660 9.008 1.00 0.00 O ATOM 221 O5' DC A 7 10.731 0.300 6.759 1.00 0.00 O ATOM 222 C5' DC A 7 10.869 0.238 5.334 1.00 0.00 C ATOM 223 C4' DC A 7 10.932 1.634 4.722 1.00 0.00 C ATOM 224 O4' DC A 7 9.596 2.064 4.411 1.00 0.00 O ATOM 225 C3' DC A 7 11.500 2.705 5.652 1.00 0.00 C ATOM 226 O3' DC A 7 12.172 3.668 4.837 1.00 0.00 O ATOM 227 C2' DC A 7 10.265 3.382 6.226 1.00 0.00 C ATOM 228 C1' DC A 7 9.300 3.312 5.046 1.00 0.00 C ATOM 229 N1 DC A 7 7.859 3.323 5.434 1.00 0.00 N ATOM 230 C2 DC A 7 6.927 3.499 4.414 1.00 0.00 C ATOM 231 O2 DC A 7 7.296 3.658 3.248 1.00 0.00 O ATOM 232 N3 DC A 7 5.603 3.502 4.730 1.00 0.00 N ATOM 233 C4 DC A 7 5.199 3.340 5.995 1.00 0.00 C ATOM 234 N4 DC A 7 3.889 3.347 6.235 1.00 0.00 N ATOM 235 C5 DC A 7 6.143 3.161 7.051 1.00 0.00 C ATOM 236 C6 DC A 7 7.451 3.158 6.734 1.00 0.00 C ATOM 0 H5' DC A 7 10.028 -0.310 4.909 1.00 0.00 H new ATOM 0 H5'' DC A 7 11.773 -0.315 5.078 1.00 0.00 H new ATOM 0 H4' DC A 7 11.586 1.541 3.855 1.00 0.00 H new ATOM 0 H3' DC A 7 12.175 2.309 6.411 1.00 0.00 H new ATOM 0 H2' DC A 7 9.880 2.859 7.101 1.00 0.00 H new ATOM 0 H2'' DC A 7 10.465 4.409 6.531 1.00 0.00 H new ATOM 0 H1' DC A 7 9.435 4.190 4.414 1.00 0.00 H new ATOM 0 H41 DC A 7 3.544 3.226 7.187 1.00 0.00 H new ATOM 0 H42 DC A 7 3.230 3.473 5.466 1.00 0.00 H new ATOM 0 H5 DC A 7 5.818 3.032 8.073 1.00 0.00 H new ATOM 0 H6 DC A 7 8.188 3.024 7.512 1.00 0.00 H new HETATM 248 P XAE A 8 13.416 4.509 5.422 1.00 0.00 P HETATM 249 OP1 XAE A 8 14.650 4.033 4.759 1.00 0.00 O HETATM 250 OP2 XAE A 8 13.326 4.506 6.901 1.00 0.00 O HETATM 251 C5' XAE A 8 12.376 6.225 3.698 1.00 0.00 C HETATM 252 C4' XAE A 8 11.744 7.614 3.669 1.00 0.00 C HETATM 253 O4' XAE A 8 10.370 7.515 4.088 1.00 0.00 O HETATM 254 C3' XAE A 8 12.372 8.626 4.628 1.00 0.00 C HETATM 255 C2' XAE A 8 11.494 8.530 5.863 1.00 0.00 C HETATM 256 C1' XAE A 8 10.127 8.360 5.220 1.00 0.00 C HETATM 257 O5' XAE A 8 13.112 6.003 4.906 1.00 0.00 O HETATM 258 N9 XAE A 8 9.125 7.765 6.089 1.00 0.00 N HETATM 259 C8 XAE A 8 9.355 6.942 7.164 1.00 0.00 C HETATM 260 N7 XAE A 8 8.239 6.561 7.741 1.00 0.00 N HETATM 261 C5 XAE A 8 5.006 7.814 6.293 1.00 0.00 C HETATM 262 C4 XAE A 8 5.551 8.582 5.242 1.00 0.00 C HETATM 263 C6 XAE A 8 3.587 7.788 6.419 1.00 0.00 C HETATM 264 N6 XAE A 8 2.973 7.089 7.375 1.00 0.00 N HETATM 265 N1 XAE A 8 2.840 8.481 5.554 1.00 0.00 N HETATM 266 C2 XAE A 8 3.467 9.171 4.601 1.00 0.00 C HETATM 267 N3 XAE A 8 4.780 9.289 4.359 1.00 0.00 N HETATM 268 C10 XAE A 8 7.759 7.921 5.971 1.00 0.00 C HETATM 269 C11 XAE A 8 7.241 7.156 7.016 1.00 0.00 C HETATM 270 CP XAE A 8 5.848 7.096 7.186 1.00 0.00 C HETATM 271 CD XAE A 8 6.935 8.636 5.080 1.00 0.00 C HETATM 272 O3' XAE A 8 12.155 9.921 4.060 1.00 0.00 O HETATM 0 HN62 XAE A 8 1.955 7.093 7.436 1.00 0.00 H new HETATM 0 HN61 XAE A 8 3.522 6.551 8.045 1.00 0.00 H new HETATM 0 H5'2 XAE A 8 11.597 5.469 3.602 1.00 0.00 H new HETATM 0 H5'1 XAE A 8 13.040 6.109 2.841 1.00 0.00 H new HETATM 0 H2'2 XAE A 8 11.762 7.685 6.497 1.00 0.00 H new HETATM 0 H2'1 XAE A 8 11.552 9.425 6.483 1.00 0.00 H new HETATM 0 HP XAE A 8 5.417 6.505 7.994 1.00 0.00 H new HETATM 0 HD XAE A 8 7.374 9.224 4.274 1.00 0.00 H new HETATM 0 H8 XAE A 8 10.348 6.641 7.499 1.00 0.00 H new HETATM 0 H4' XAE A 8 11.885 7.960 2.645 1.00 0.00 H new HETATM 0 H3' XAE A 8 13.431 8.459 4.824 1.00 0.00 H new HETATM 0 H2 XAE A 8 2.817 9.719 3.919 1.00 0.00 H new HETATM 0 H1' XAE A 8 9.710 9.335 4.966 1.00 0.00 H new HETATM 286 P XGA A 9 13.099 11.168 4.443 1.00 0.00 P HETATM 287 OP1 XGA A 9 14.020 11.417 3.312 1.00 0.00 O HETATM 288 OP2 XGA A 9 13.641 10.945 5.802 1.00 0.00 O HETATM 289 C5' XGA A 9 10.932 12.437 3.614 1.00 0.00 C HETATM 290 O5' XGA A 9 12.046 12.385 4.514 1.00 0.00 O HETATM 291 C4' XGA A 9 9.809 13.325 4.145 1.00 0.00 C HETATM 292 O4' XGA A 9 8.861 12.511 4.851 1.00 0.00 O HETATM 293 C3' XGA A 9 10.252 14.394 5.143 1.00 0.00 C HETATM 294 C2' XGA A 9 9.896 13.810 6.502 1.00 0.00 C HETATM 295 C1' XGA A 9 8.643 13.009 6.176 1.00 0.00 C HETATM 296 N9 XGA A 9 8.403 11.904 7.086 1.00 0.00 N HETATM 297 C8 XGA A 9 9.335 11.002 7.534 1.00 0.00 C HETATM 298 N7 XGA A 9 8.811 10.106 8.335 1.00 0.00 N HETATM 299 C4 XGA A 9 4.862 11.486 8.277 1.00 0.00 C HETATM 300 C5 XGA A 9 5.131 10.345 9.060 1.00 0.00 C HETATM 301 N3 XGA A 9 3.637 12.016 8.184 1.00 0.00 N HETATM 302 C2 XGA A 9 2.648 11.410 8.879 1.00 0.00 C HETATM 303 N2 XGA A 9 1.405 11.936 8.793 1.00 0.00 N HETATM 304 N1 XGA A 9 2.820 10.318 9.651 1.00 0.00 N HETATM 305 C6 XGA A 9 4.078 9.753 9.761 1.00 0.00 C HETATM 306 O6 XGA A 9 4.248 8.749 10.450 1.00 0.00 O HETATM 307 C10 XGA A 9 7.191 11.557 7.646 1.00 0.00 C HETATM 308 C11 XGA A 9 7.483 10.433 8.417 1.00 0.00 C HETATM 309 CP XGA A 9 6.448 9.814 9.134 1.00 0.00 C HETATM 310 CD XGA A 9 5.893 12.094 7.564 1.00 0.00 C HETATM 311 O3' XGA A 9 9.405 15.530 4.941 1.00 0.00 O HETATM 0 HN22 XGA A 9 0.633 11.507 9.303 1.00 0.00 H new HETATM 0 HN21 XGA A 9 1.239 12.762 8.218 1.00 0.00 H new HETATM 0 H5'2 XGA A 9 11.265 12.813 2.646 1.00 0.00 H new HETATM 0 H5'1 XGA A 9 10.551 11.429 3.450 1.00 0.00 H new HETATM 0 H2'2 XGA A 9 10.693 13.180 6.898 1.00 0.00 H new HETATM 0 H2'1 XGA A 9 9.704 14.586 7.243 1.00 0.00 H new HETATM 0 HP XGA A 9 6.652 8.933 9.743 1.00 0.00 H new HETATM 0 HN1 XGA A 9 2.029 9.912 10.150 1.00 0.00 H new HETATM 0 HD XGA A 9 5.697 12.974 6.951 1.00 0.00 H new HETATM 0 H8 XGA A 9 10.389 11.027 7.256 1.00 0.00 H new HETATM 0 H4' XGA A 9 9.405 13.822 3.263 1.00 0.00 H new HETATM 0 H3' XGA A 9 11.303 14.667 5.050 1.00 0.00 H new HETATM 0 H1' XGA A 9 7.761 13.643 6.268 1.00 0.00 H new ATOM 325 P DT A 10 9.941 17.022 5.229 1.00 0.00 P ATOM 326 OP1 DT A 10 9.967 17.759 3.945 1.00 0.00 O ATOM 327 OP2 DT A 10 11.169 16.927 6.049 1.00 0.00 O ATOM 328 O5' DT A 10 8.771 17.644 6.144 1.00 0.00 O ATOM 329 C5' DT A 10 7.395 17.422 5.819 1.00 0.00 C ATOM 330 C4' DT A 10 6.460 17.982 6.888 1.00 0.00 C ATOM 331 O4' DT A 10 5.928 16.890 7.651 1.00 0.00 O ATOM 332 C3' DT A 10 7.126 18.916 7.907 1.00 0.00 C ATOM 333 O3' DT A 10 6.219 19.948 8.306 1.00 0.00 O ATOM 334 C2' DT A 10 7.419 17.983 9.075 1.00 0.00 C ATOM 335 C1' DT A 10 6.207 17.062 9.040 1.00 0.00 C ATOM 336 N1 DT A 10 6.452 15.731 9.648 1.00 0.00 N ATOM 337 C2 DT A 10 5.403 15.147 10.342 1.00 0.00 C ATOM 338 O2 DT A 10 4.304 15.687 10.460 1.00 0.00 O ATOM 339 N3 DT A 10 5.656 13.910 10.898 1.00 0.00 N ATOM 340 C4 DT A 10 6.845 13.210 10.828 1.00 0.00 C ATOM 341 O4 DT A 10 6.948 12.109 11.363 1.00 0.00 O ATOM 342 C5 DT A 10 7.884 13.886 10.091 1.00 0.00 C ATOM 343 C7 DT A 10 9.254 13.228 9.954 1.00 0.00 C ATOM 344 C6 DT A 10 7.667 15.096 9.533 1.00 0.00 C ATOM 0 H5' DT A 10 7.217 16.353 5.705 1.00 0.00 H new ATOM 0 H5'' DT A 10 7.169 17.887 4.859 1.00 0.00 H new ATOM 0 H4' DT A 10 5.713 18.556 6.340 1.00 0.00 H new ATOM 0 H3' DT A 10 8.011 19.421 7.521 1.00 0.00 H new ATOM 0 H2' DT A 10 8.353 17.437 8.940 1.00 0.00 H new ATOM 0 H2'' DT A 10 7.498 18.521 10.020 1.00 0.00 H new ATOM 0 HO3' DT A 10 6.657 20.535 8.957 1.00 0.00 H new ATOM 0 H1' DT A 10 5.392 17.501 9.615 1.00 0.00 H new ATOM 0 H3 DT A 10 4.892 13.470 11.410 1.00 0.00 H new ATOM 0 H71 DT A 10 9.712 13.533 9.013 1.00 0.00 H new ATOM 0 H72 DT A 10 9.890 13.536 10.784 1.00 0.00 H new ATOM 0 H73 DT A 10 9.140 12.144 9.967 1.00 0.00 H new ATOM 0 H6 DT A 10 8.464 15.576 8.985 1.00 0.00 H new TER 358 DT A 10 HETATM 359 C5' XAE B 11 -2.773 5.388 16.807 1.00 0.00 C HETATM 360 C4' XAE B 11 -3.122 6.650 16.022 1.00 0.00 C HETATM 361 O4' XAE B 11 -2.056 7.600 16.170 1.00 0.00 O HETATM 362 C3' XAE B 11 -3.282 6.444 14.517 1.00 0.00 C HETATM 363 C2' XAE B 11 -1.963 6.917 13.922 1.00 0.00 C HETATM 364 C1' XAE B 11 -1.530 7.999 14.899 1.00 0.00 C HETATM 365 O5' XAE B 11 -2.364 4.321 15.944 1.00 0.00 O HETATM 366 N9 XAE B 11 -0.088 8.140 14.988 1.00 0.00 N HETATM 367 C8 XAE B 11 0.758 7.343 15.718 1.00 0.00 C HETATM 368 N7 XAE B 11 2.011 7.711 15.594 1.00 0.00 N HETATM 369 C5 XAE B 11 2.762 10.656 13.394 1.00 0.00 C HETATM 370 C4 XAE B 11 1.439 10.949 12.999 1.00 0.00 C HETATM 371 C6 XAE B 11 3.798 11.487 12.881 1.00 0.00 C HETATM 372 N6 XAE B 11 5.081 11.297 13.193 1.00 0.00 N HETATM 373 N1 XAE B 11 3.484 12.492 12.060 1.00 0.00 N HETATM 374 C2 XAE B 11 2.201 12.674 11.755 1.00 0.00 C HETATM 375 N3 XAE B 11 1.123 11.982 12.155 1.00 0.00 N HETATM 376 C10 XAE B 11 0.683 9.089 14.349 1.00 0.00 C HETATM 377 C11 XAE B 11 1.986 8.789 14.750 1.00 0.00 C HETATM 378 CP XAE B 11 3.042 9.577 14.272 1.00 0.00 C HETATM 379 CD XAE B 11 0.393 10.159 13.478 1.00 0.00 C HETATM 380 O3' XAE B 11 -4.294 7.354 14.074 1.00 0.00 O HETATM 0 HN62 XAE B 11 5.796 11.913 12.806 1.00 0.00 H new HETATM 0 HN61 XAE B 11 5.347 10.536 13.818 1.00 0.00 H new HETATM 0 H5'2 XAE B 11 -1.974 5.609 17.515 1.00 0.00 H new HETATM 0 H5'1 XAE B 11 -3.638 5.072 17.391 1.00 0.00 H new HETATM 0 H2'2 XAE B 11 -1.233 6.110 13.861 1.00 0.00 H new HETATM 0 H2'1 XAE B 11 -2.090 7.309 12.913 1.00 0.00 H new HETATM 0 HP XAE B 11 4.068 9.363 14.572 1.00 0.00 H new HETATM 0 HD XAE B 11 -0.635 10.367 13.182 1.00 0.00 H new HETATM 0 H8 XAE B 11 0.428 6.503 16.329 1.00 0.00 H new HETATM 0 H4' XAE B 11 -4.078 6.981 16.428 1.00 0.00 H new HETATM 0 H3' XAE B 11 -3.533 5.418 14.247 1.00 0.00 H new HETATM 0 H2 XAE B 11 1.996 13.507 11.082 1.00 0.00 H new HETATM 0 H1' XAE B 11 -1.901 8.969 14.566 1.00 0.00 H new ATOM 395 P DC B 12 -5.415 6.883 13.016 1.00 0.00 P ATOM 396 OP1 DC B 12 -5.221 5.442 12.738 1.00 0.00 O ATOM 397 OP2 DC B 12 -6.730 7.372 13.488 1.00 0.00 O ATOM 398 O5' DC B 12 -5.016 7.707 11.692 1.00 0.00 O ATOM 399 C5' DC B 12 -4.958 9.136 11.714 1.00 0.00 C ATOM 400 C4' DC B 12 -4.544 9.707 10.361 1.00 0.00 C ATOM 401 O4' DC B 12 -3.111 9.779 10.304 1.00 0.00 O ATOM 402 C3' DC B 12 -4.956 8.863 9.153 1.00 0.00 C ATOM 403 O3' DC B 12 -5.218 9.772 8.078 1.00 0.00 O ATOM 404 C2' DC B 12 -3.695 8.096 8.786 1.00 0.00 C ATOM 405 C1' DC B 12 -2.611 9.098 9.152 1.00 0.00 C ATOM 406 N1 DC B 12 -1.317 8.462 9.495 1.00 0.00 N ATOM 407 C2 DC B 12 -0.168 9.018 8.950 1.00 0.00 C ATOM 408 O2 DC B 12 -0.246 9.977 8.186 1.00 0.00 O ATOM 409 N3 DC B 12 1.036 8.473 9.271 1.00 0.00 N ATOM 410 C4 DC B 12 1.115 7.420 10.093 1.00 0.00 C ATOM 411 N4 DC B 12 2.327 6.941 10.377 1.00 0.00 N ATOM 412 C5 DC B 12 -0.062 6.837 10.656 1.00 0.00 C ATOM 413 C6 DC B 12 -1.250 7.384 10.335 1.00 0.00 C ATOM 0 H5' DC B 12 -4.250 9.459 12.477 1.00 0.00 H new ATOM 0 H5'' DC B 12 -5.933 9.535 11.994 1.00 0.00 H new ATOM 0 H4' DC B 12 -5.048 10.672 10.298 1.00 0.00 H new ATOM 0 H3' DC B 12 -5.817 8.222 9.343 1.00 0.00 H new ATOM 0 H2' DC B 12 -3.602 7.167 9.349 1.00 0.00 H new ATOM 0 H2'' DC B 12 -3.669 7.832 7.729 1.00 0.00 H new ATOM 0 H1' DC B 12 -2.409 9.750 8.302 1.00 0.00 H new ATOM 0 H41 DC B 12 2.425 6.139 11.000 1.00 0.00 H new ATOM 0 H42 DC B 12 3.155 7.376 9.971 1.00 0.00 H new ATOM 0 H5 DC B 12 -0.001 5.985 11.317 1.00 0.00 H new ATOM 0 H6 DC B 12 -2.159 6.968 10.745 1.00 0.00 H new ATOM 425 P DT B 13 -6.626 9.737 7.297 1.00 0.00 P ATOM 426 OP1 DT B 13 -7.538 10.707 7.941 1.00 0.00 O ATOM 427 OP2 DT B 13 -7.039 8.323 7.148 1.00 0.00 O ATOM 428 O5' DT B 13 -6.238 10.301 5.839 1.00 0.00 O ATOM 429 C5' DT B 13 -5.480 11.509 5.694 1.00 0.00 C ATOM 430 C4' DT B 13 -4.623 11.485 4.432 1.00 0.00 C ATOM 431 O4' DT B 13 -3.317 10.985 4.768 1.00 0.00 O ATOM 432 C3' DT B 13 -5.139 10.561 3.328 1.00 0.00 C ATOM 433 O3' DT B 13 -4.763 11.145 2.076 1.00 0.00 O ATOM 434 C2' DT B 13 -4.314 9.297 3.498 1.00 0.00 C ATOM 435 C1' DT B 13 -2.972 9.871 3.941 1.00 0.00 C ATOM 436 N1 DT B 13 -2.131 8.929 4.732 1.00 0.00 N ATOM 437 C2 DT B 13 -0.798 9.276 4.910 1.00 0.00 C ATOM 438 O2 DT B 13 -0.311 10.300 4.435 1.00 0.00 O ATOM 439 N3 DT B 13 -0.034 8.398 5.657 1.00 0.00 N ATOM 440 C4 DT B 13 -0.472 7.222 6.233 1.00 0.00 C ATOM 441 O4 DT B 13 0.306 6.522 6.879 1.00 0.00 O ATOM 442 C5 DT B 13 -1.866 6.935 6.000 1.00 0.00 C ATOM 443 C7 DT B 13 -2.479 5.662 6.580 1.00 0.00 C ATOM 444 C6 DT B 13 -2.639 7.771 5.277 1.00 0.00 C ATOM 0 H5' DT B 13 -4.841 11.645 6.566 1.00 0.00 H new ATOM 0 H5'' DT B 13 -6.157 12.362 5.659 1.00 0.00 H new ATOM 0 H4' DT B 13 -4.633 12.510 4.061 1.00 0.00 H new ATOM 0 H3' DT B 13 -6.215 10.392 3.366 1.00 0.00 H new ATOM 0 H2' DT B 13 -4.740 8.626 4.244 1.00 0.00 H new ATOM 0 H2'' DT B 13 -4.233 8.732 2.570 1.00 0.00 H new ATOM 0 H1' DT B 13 -2.375 10.117 3.063 1.00 0.00 H new ATOM 0 H3 DT B 13 0.947 8.642 5.796 1.00 0.00 H new ATOM 0 H71 DT B 13 -3.535 5.830 6.790 1.00 0.00 H new ATOM 0 H72 DT B 13 -2.377 4.849 5.861 1.00 0.00 H new ATOM 0 H73 DT B 13 -1.963 5.398 7.503 1.00 0.00 H new ATOM 0 H6 DT B 13 -3.680 7.527 5.122 1.00 0.00 H new HETATM 457 P XGA B 14 -5.592 10.818 0.733 1.00 0.00 P HETATM 458 OP1 XGA B 14 -6.022 12.099 0.130 1.00 0.00 O HETATM 459 OP2 XGA B 14 -6.597 9.776 1.045 1.00 0.00 O HETATM 460 C5' XGA B 14 -3.273 10.881 -0.535 1.00 0.00 C HETATM 461 O5' XGA B 14 -4.470 10.164 -0.220 1.00 0.00 O HETATM 462 C4' XGA B 14 -2.361 10.085 -1.466 1.00 0.00 C HETATM 463 O4' XGA B 14 -1.450 9.309 -0.676 1.00 0.00 O HETATM 464 C3' XGA B 14 -3.078 9.078 -2.361 1.00 0.00 C HETATM 465 C2' XGA B 14 -2.975 7.765 -1.599 1.00 0.00 C HETATM 466 C1' XGA B 14 -1.628 7.904 -0.896 1.00 0.00 C HETATM 467 N9 XGA B 14 -1.559 7.201 0.376 1.00 0.00 N HETATM 468 C8 XGA B 14 -2.598 6.993 1.248 1.00 0.00 C HETATM 469 N7 XGA B 14 -2.216 6.355 2.327 1.00 0.00 N HETATM 470 C4 XGA B 14 1.836 5.911 1.377 1.00 0.00 C HETATM 471 C5 XGA B 14 1.402 5.387 2.612 1.00 0.00 C HETATM 472 N3 XGA B 14 3.111 5.825 0.972 1.00 0.00 N HETATM 473 C2 XGA B 14 3.983 5.205 1.805 1.00 0.00 C HETATM 474 N2 XGA B 14 5.275 5.101 1.410 1.00 0.00 N HETATM 475 N1 XGA B 14 3.646 4.678 2.999 1.00 0.00 N HETATM 476 C6 XGA B 14 2.336 4.757 3.435 1.00 0.00 C HETATM 477 O6 XGA B 14 2.015 4.284 4.522 1.00 0.00 O HETATM 478 C10 XGA B 14 -0.425 6.651 0.944 1.00 0.00 C HETATM 479 C11 XGA B 14 -0.875 6.134 2.159 1.00 0.00 C HETATM 480 CP XGA B 14 0.041 5.495 3.005 1.00 0.00 C HETATM 481 CD XGA B 14 0.921 6.550 0.537 1.00 0.00 C HETATM 482 O3' XGA B 14 -2.290 8.941 -3.547 1.00 0.00 O HETATM 0 HN22 XGA B 14 5.957 4.641 2.013 1.00 0.00 H new HETATM 0 HN21 XGA B 14 5.565 5.483 0.510 1.00 0.00 H new HETATM 0 H5'2 XGA B 14 -3.531 11.830 -1.004 1.00 0.00 H new HETATM 0 H5'1 XGA B 14 -2.737 11.115 0.385 1.00 0.00 H new HETATM 0 H2'2 XGA B 14 -3.793 7.641 -0.890 1.00 0.00 H new HETATM 0 H2'1 XGA B 14 -2.999 6.904 -2.267 1.00 0.00 H new HETATM 0 HP XGA B 14 -0.289 5.083 3.959 1.00 0.00 H new HETATM 0 HN1 XGA B 14 4.353 4.224 3.577 1.00 0.00 H new HETATM 0 HD XGA B 14 1.243 6.964 -0.419 1.00 0.00 H new HETATM 0 H8 XGA B 14 -3.621 7.320 1.065 1.00 0.00 H new HETATM 0 H4' XGA B 14 -1.885 10.834 -2.099 1.00 0.00 H new HETATM 0 H3' XGA B 14 -4.103 9.359 -2.604 1.00 0.00 H new HETATM 0 H1' XGA B 14 -0.850 7.460 -1.516 1.00 0.00 H new ATOM 496 P DC B 15 -2.961 8.463 -4.934 1.00 0.00 P ATOM 497 OP1 DC B 15 -3.115 9.649 -5.804 1.00 0.00 O ATOM 498 OP2 DC B 15 -4.137 7.621 -4.618 1.00 0.00 O ATOM 499 O5' DC B 15 -1.822 7.517 -5.570 1.00 0.00 O ATOM 500 C5' DC B 15 -0.523 7.433 -4.972 1.00 0.00 C ATOM 501 C4' DC B 15 0.164 6.106 -5.283 1.00 0.00 C ATOM 502 O4' DC B 15 0.346 5.383 -4.059 1.00 0.00 O ATOM 503 C3' DC B 15 -0.619 5.169 -6.204 1.00 0.00 C ATOM 504 O3' DC B 15 0.337 4.467 -7.003 1.00 0.00 O ATOM 505 C2' DC B 15 -1.258 4.151 -5.269 1.00 0.00 C ATOM 506 C1' DC B 15 -0.251 4.085 -4.125 1.00 0.00 C ATOM 507 N1 DC B 15 -0.872 3.790 -2.809 1.00 0.00 N ATOM 508 C2 DC B 15 -0.152 2.993 -1.931 1.00 0.00 C ATOM 509 O2 DC B 15 0.962 2.577 -2.242 1.00 0.00 O ATOM 510 N3 DC B 15 -0.692 2.704 -0.717 1.00 0.00 N ATOM 511 C4 DC B 15 -1.893 3.179 -0.367 1.00 0.00 C ATOM 512 N4 DC B 15 -2.353 2.866 0.846 1.00 0.00 N ATOM 513 C5 DC B 15 -2.644 4.002 -1.262 1.00 0.00 C ATOM 514 C6 DC B 15 -2.103 4.282 -2.464 1.00 0.00 C ATOM 0 H5' DC B 15 -0.613 7.551 -3.892 1.00 0.00 H new ATOM 0 H5'' DC B 15 0.096 8.255 -5.332 1.00 0.00 H new ATOM 0 H4' DC B 15 1.090 6.381 -5.788 1.00 0.00 H new ATOM 0 H3' DC B 15 -1.344 5.690 -6.830 1.00 0.00 H new ATOM 0 H2' DC B 15 -2.241 4.474 -4.927 1.00 0.00 H new ATOM 0 H2'' DC B 15 -1.390 3.182 -5.751 1.00 0.00 H new ATOM 0 H1' DC B 15 0.457 3.280 -4.321 1.00 0.00 H new ATOM 0 H41 DC B 15 -3.264 3.209 1.150 1.00 0.00 H new ATOM 0 H42 DC B 15 -1.793 2.284 1.469 1.00 0.00 H new ATOM 0 H5 DC B 15 -3.614 4.387 -0.984 1.00 0.00 H new ATOM 0 H6 DC B 15 -2.646 4.901 -3.163 1.00 0.00 H new ATOM 526 P DG B 16 0.304 4.598 -8.608 1.00 0.00 P ATOM 527 OP1 DG B 16 0.809 5.940 -8.975 1.00 0.00 O ATOM 528 OP2 DG B 16 -1.028 4.156 -9.079 1.00 0.00 O ATOM 529 O5' DG B 16 1.388 3.506 -9.078 1.00 0.00 O ATOM 530 C5' DG B 16 2.701 3.479 -8.505 1.00 0.00 C ATOM 531 C4' DG B 16 3.274 2.066 -8.493 1.00 0.00 C ATOM 532 O4' DG B 16 2.911 1.430 -7.263 1.00 0.00 O ATOM 533 C3' DG B 16 2.739 1.150 -9.588 1.00 0.00 C ATOM 534 O3' DG B 16 3.737 0.154 -9.832 1.00 0.00 O ATOM 535 C2' DG B 16 1.560 0.449 -8.932 1.00 0.00 C ATOM 536 C1' DG B 16 2.031 0.321 -7.486 1.00 0.00 C ATOM 537 N9 DG B 16 0.928 0.395 -6.502 1.00 0.00 N ATOM 538 C8 DG B 16 -0.411 0.635 -6.704 1.00 0.00 C ATOM 539 N7 DG B 16 -1.118 0.605 -5.609 1.00 0.00 N ATOM 540 C5 DG B 16 -0.188 0.331 -4.615 1.00 0.00 C ATOM 541 C6 DG B 16 -0.369 0.180 -3.213 1.00 0.00 C ATOM 542 O6 DG B 16 -1.411 0.266 -2.568 1.00 0.00 O ATOM 543 N1 DG B 16 0.830 -0.089 -2.569 1.00 0.00 N ATOM 544 C2 DG B 16 2.054 -0.198 -3.193 1.00 0.00 C ATOM 545 N2 DG B 16 3.118 -0.434 -2.423 1.00 0.00 N ATOM 546 N3 DG B 16 2.231 -0.061 -4.507 1.00 0.00 N ATOM 547 C4 DG B 16 1.069 0.202 -5.151 1.00 0.00 C ATOM 0 H5' DG B 16 2.663 3.867 -7.487 1.00 0.00 H new ATOM 0 H5'' DG B 16 3.361 4.136 -9.072 1.00 0.00 H new ATOM 0 H4' DG B 16 4.346 2.196 -8.639 1.00 0.00 H new ATOM 0 H3' DG B 16 2.482 1.673 -10.509 1.00 0.00 H new ATOM 0 H2' DG B 16 0.643 1.032 -9.012 1.00 0.00 H new ATOM 0 H2'' DG B 16 1.360 -0.523 -9.384 1.00 0.00 H new ATOM 0 H1' DG B 16 2.503 -0.652 -7.350 1.00 0.00 H new ATOM 0 H8 DG B 16 -0.836 0.830 -7.677 1.00 0.00 H new ATOM 0 H1 DG B 16 0.804 -0.216 -1.557 1.00 0.00 H new ATOM 0 H21 DG B 16 4.043 -0.522 -2.844 1.00 0.00 H new ATOM 0 H22 DG B 16 3.006 -0.527 -1.413 1.00 0.00 H new HETATM 559 P XTY B 17 3.917 -0.481 -11.302 1.00 0.00 P HETATM 560 OP1 XTY B 17 2.575 -0.653 -11.900 1.00 0.00 O HETATM 561 OP2 XTY B 17 4.948 0.303 -12.021 1.00 0.00 O HETATM 562 C5' XTY B 17 5.076 -2.259 -9.714 1.00 0.00 C HETATM 563 C4' XTY B 17 4.898 -3.736 -9.371 1.00 0.00 C HETATM 564 O4' XTY B 17 3.926 -3.853 -8.323 1.00 0.00 O HETATM 565 C3' XTY B 17 4.373 -4.602 -10.518 1.00 0.00 C HETATM 566 C2' XTY B 17 2.891 -4.764 -10.217 1.00 0.00 C HETATM 567 C1' XTY B 17 2.874 -4.755 -8.687 1.00 0.00 C HETATM 568 O5' XTY B 17 4.520 -1.942 -10.995 1.00 0.00 O HETATM 569 C2 XTY B 17 1.499 -6.115 -4.998 1.00 0.00 C HETATM 570 O2 XTY B 17 2.146 -6.946 -4.363 1.00 0.00 O HETATM 571 N3 XTY B 17 0.305 -5.618 -4.510 1.00 0.00 N HETATM 572 C4 XTY B 17 -0.477 -4.682 -5.158 1.00 0.00 C HETATM 573 O4 XTY B 17 -1.536 -4.300 -4.667 1.00 0.00 O HETATM 574 C5 XTY B 17 -0.032 -4.203 -6.394 1.00 0.00 C HETATM 575 C6 XTY B 17 1.187 -4.693 -6.925 1.00 0.00 C HETATM 576 N XTY B 17 1.947 -5.644 -6.233 1.00 0.00 N HETATM 577 CP XTY B 17 -0.792 -3.241 -7.092 1.00 0.00 C HETATM 578 CD XTY B 17 0.869 -3.253 -8.863 1.00 0.00 C HETATM 579 C8 XTY B 17 1.658 -4.226 -8.178 1.00 0.00 C HETATM 580 C7 XTY B 17 -0.337 -2.773 -8.322 1.00 0.00 C HETATM 581 C7A XTY B 17 -1.154 -1.736 -9.088 1.00 0.00 C HETATM 582 O3' XTY B 17 4.973 -5.895 -10.390 1.00 0.00 O HETATM 0 H7A3 XTY B 17 -2.142 -2.141 -9.307 1.00 0.00 H new HETATM 0 H7A2 XTY B 17 -1.257 -0.835 -8.483 1.00 0.00 H new HETATM 0 H7A1 XTY B 17 -0.647 -1.490 -10.021 1.00 0.00 H new HETATM 0 H5'2 XTY B 17 4.598 -1.648 -8.949 1.00 0.00 H new HETATM 0 H5'1 XTY B 17 6.137 -2.009 -9.706 1.00 0.00 H new HETATM 0 H2'2 XTY B 17 2.298 -3.951 -10.636 1.00 0.00 H new HETATM 0 H2'1 XTY B 17 2.491 -5.693 -10.624 1.00 0.00 H new HETATM 0 HP XTY B 17 -1.726 -2.868 -6.673 1.00 0.00 H new HETATM 0 HN3 XTY B 17 -0.021 -5.967 -3.609 1.00 0.00 H new HETATM 0 HN XTY B 17 2.821 -5.990 -6.629 1.00 0.00 H new HETATM 0 HD XTY B 17 1.209 -2.874 -9.827 1.00 0.00 H new HETATM 0 H4' XTY B 17 5.894 -4.088 -9.103 1.00 0.00 H new HETATM 0 H3' XTY B 17 4.574 -4.180 -11.503 1.00 0.00 H new HETATM 0 H1' XTY B 17 2.986 -5.765 -8.294 1.00 0.00 H new ATOM 597 P DA B 18 5.179 -6.833 -11.686 1.00 0.00 P ATOM 598 OP1 DA B 18 6.619 -7.147 -11.807 1.00 0.00 O ATOM 599 OP2 DA B 18 4.460 -6.219 -12.826 1.00 0.00 O ATOM 600 O5' DA B 18 4.401 -8.180 -11.273 1.00 0.00 O ATOM 601 C5' DA B 18 4.728 -8.864 -10.060 1.00 0.00 C ATOM 602 C4' DA B 18 3.889 -10.127 -9.874 1.00 0.00 C ATOM 603 O4' DA B 18 2.753 -9.811 -9.056 1.00 0.00 O ATOM 604 C3' DA B 18 3.303 -10.711 -11.157 1.00 0.00 C ATOM 605 O3' DA B 18 3.121 -12.109 -10.927 1.00 0.00 O ATOM 606 C2' DA B 18 1.918 -10.094 -11.240 1.00 0.00 C ATOM 607 C1' DA B 18 1.527 -10.015 -9.770 1.00 0.00 C ATOM 608 N9 DA B 18 0.618 -8.888 -9.478 1.00 0.00 N ATOM 609 C8 DA B 18 0.165 -7.901 -10.319 1.00 0.00 C ATOM 610 N7 DA B 18 -0.642 -7.056 -9.743 1.00 0.00 N ATOM 611 C5 DA B 18 -0.726 -7.517 -8.435 1.00 0.00 C ATOM 612 C6 DA B 18 -1.428 -7.058 -7.314 1.00 0.00 C ATOM 613 N6 DA B 18 -2.205 -5.979 -7.329 1.00 0.00 N ATOM 614 N1 DA B 18 -1.293 -7.746 -6.166 1.00 0.00 N ATOM 615 C2 DA B 18 -0.509 -8.818 -6.147 1.00 0.00 C ATOM 616 N3 DA B 18 0.199 -9.348 -7.130 1.00 0.00 N ATOM 617 C4 DA B 18 0.037 -8.632 -8.262 1.00 0.00 C ATOM 0 H5' DA B 18 4.571 -8.196 -9.213 1.00 0.00 H new ATOM 0 H5'' DA B 18 5.785 -9.128 -10.066 1.00 0.00 H new ATOM 0 H4' DA B 18 4.576 -10.856 -9.444 1.00 0.00 H new ATOM 0 H3' DA B 18 3.915 -10.534 -12.041 1.00 0.00 H new ATOM 0 H2' DA B 18 1.935 -9.112 -11.712 1.00 0.00 H new ATOM 0 H2'' DA B 18 1.228 -10.712 -11.814 1.00 0.00 H new ATOM 0 H1' DA B 18 0.998 -10.924 -9.483 1.00 0.00 H new ATOM 0 H8 DA B 18 0.451 -7.832 -11.358 1.00 0.00 H new ATOM 0 H61 DA B 18 -2.693 -5.690 -6.481 1.00 0.00 H new ATOM 0 H62 DA B 18 -2.313 -5.440 -8.188 1.00 0.00 H new ATOM 0 H2 DA B 18 -0.440 -9.327 -5.197 1.00 0.00 H new HETATM 629 P XCS B 19 3.046 -13.154 -12.151 1.00 0.00 P HETATM 630 OP2 XCS B 19 4.372 -13.797 -12.296 1.00 0.00 O HETATM 631 C6 XCS B 19 -2.366 -11.504 -10.146 1.00 0.00 C HETATM 632 C2 XCS B 19 -3.245 -11.018 -7.962 1.00 0.00 C HETATM 633 O2 XCS B 19 -3.510 -11.396 -6.823 1.00 0.00 O HETATM 634 N3 XCS B 19 -3.519 -9.735 -8.364 1.00 0.00 N HETATM 635 C4 XCS B 19 -3.238 -9.314 -9.609 1.00 0.00 C HETATM 636 N4 XCS B 19 -3.544 -8.056 -9.927 1.00 0.00 N HETATM 637 C5 XCS B 19 -2.643 -10.198 -10.560 1.00 0.00 C HETATM 638 OP1 XCS B 19 2.424 -12.472 -13.309 1.00 0.00 O HETATM 639 O5' XCS B 19 2.008 -14.250 -11.593 1.00 0.00 O HETATM 640 C5' XCS B 19 1.840 -14.434 -10.182 1.00 0.00 C HETATM 641 C4' XCS B 19 0.421 -14.862 -9.829 1.00 0.00 C HETATM 642 O4' XCS B 19 -0.395 -13.686 -9.688 1.00 0.00 O HETATM 643 C1' XCS B 19 -1.536 -13.743 -10.557 1.00 0.00 C HETATM 644 ND XCS B 19 -2.660 -11.915 -8.859 1.00 0.00 N HETATM 645 CP XCS B 19 -2.349 -9.770 -11.871 1.00 0.00 C HETATM 646 CD XCS B 19 -1.493 -11.991 -12.358 1.00 0.00 C HETATM 647 C8 XCS B 19 -1.785 -12.433 -11.036 1.00 0.00 C HETATM 648 C7 XCS B 19 -1.772 -10.672 -12.765 1.00 0.00 C HETATM 649 C7A XCS B 19 -1.449 -10.230 -14.188 1.00 0.00 C HETATM 650 C2' XCS B 19 -1.094 -14.689 -11.672 1.00 0.00 C HETATM 651 C3' XCS B 19 -0.280 -15.706 -10.891 1.00 0.00 C HETATM 652 O3' XCS B 19 -1.207 -16.555 -10.210 1.00 0.00 O HETATM 0 HN42 XCS B 19 -3.344 -7.704 -10.863 1.00 0.00 H new HETATM 0 HN41 XCS B 19 -3.978 -7.446 -9.234 1.00 0.00 H new HETATM 0 H7A3 XCS B 19 -2.365 -9.913 -14.687 1.00 0.00 H new HETATM 0 H7A2 XCS B 19 -0.744 -9.399 -14.160 1.00 0.00 H new HETATM 0 H7A1 XCS B 19 -1.007 -11.062 -14.736 1.00 0.00 H new HETATM 0 H5'2 XCS B 19 2.545 -15.186 -9.828 1.00 0.00 H new HETATM 0 H5'1 XCS B 19 2.078 -13.505 -9.664 1.00 0.00 H new HETATM 0 H2'2 XCS B 19 -1.941 -15.146 -12.184 1.00 0.00 H new HETATM 0 H2'1 XCS B 19 -0.499 -14.181 -12.431 1.00 0.00 H new HETATM 0 HP XCS B 19 -2.570 -8.749 -12.181 1.00 0.00 H new HETATM 0 HND XCS B 19 -2.451 -12.869 -8.566 1.00 0.00 H new HETATM 0 HD XCS B 19 -1.045 -12.686 -13.068 1.00 0.00 H new HETATM 0 H4' XCS B 19 0.525 -15.459 -8.923 1.00 0.00 H new HETATM 0 H3' XCS B 19 0.400 -16.295 -11.507 1.00 0.00 H new HETATM 0 H1' XCS B 19 -2.456 -14.092 -10.089 1.00 0.00 H new ATOM 668 P DA B 20 -1.691 -17.946 -10.865 1.00 0.00 P ATOM 669 OP1 DA B 20 -1.521 -17.856 -12.332 1.00 0.00 O ATOM 670 OP2 DA B 20 -1.060 -19.055 -10.116 1.00 0.00 O ATOM 671 O5' DA B 20 -3.269 -17.952 -10.540 1.00 0.00 O ATOM 672 C5' DA B 20 -3.752 -17.496 -9.272 1.00 0.00 C ATOM 673 C4' DA B 20 -5.275 -17.572 -9.180 1.00 0.00 C ATOM 674 O4' DA B 20 -5.823 -16.266 -9.418 1.00 0.00 O ATOM 675 C3' DA B 20 -5.940 -18.497 -10.208 1.00 0.00 C ATOM 676 O3' DA B 20 -7.064 -19.162 -9.624 1.00 0.00 O ATOM 677 C2' DA B 20 -6.399 -17.527 -11.290 1.00 0.00 C ATOM 678 C1' DA B 20 -6.789 -16.311 -10.467 1.00 0.00 C ATOM 679 N9 DA B 20 -6.732 -15.048 -11.232 1.00 0.00 N ATOM 680 C8 DA B 20 -5.891 -14.694 -12.259 1.00 0.00 C ATOM 681 N7 DA B 20 -6.113 -13.496 -12.727 1.00 0.00 N ATOM 682 C5 DA B 20 -7.171 -13.028 -11.956 1.00 0.00 C ATOM 683 C6 DA B 20 -7.882 -11.817 -11.950 1.00 0.00 C ATOM 684 N6 DA B 20 -7.636 -10.816 -12.794 1.00 0.00 N ATOM 685 N1 DA B 20 -8.874 -11.677 -11.054 1.00 0.00 N ATOM 686 C2 DA B 20 -9.136 -12.680 -10.224 1.00 0.00 C ATOM 687 N3 DA B 20 -8.545 -13.861 -10.130 1.00 0.00 N ATOM 688 C4 DA B 20 -7.556 -13.965 -11.041 1.00 0.00 C ATOM 0 H5' DA B 20 -3.430 -16.467 -9.110 1.00 0.00 H new ATOM 0 H5'' DA B 20 -3.310 -18.098 -8.478 1.00 0.00 H new ATOM 0 H4' DA B 20 -5.477 -17.968 -8.185 1.00 0.00 H new ATOM 0 H3' DA B 20 -5.279 -19.280 -10.580 1.00 0.00 H new ATOM 0 H2' DA B 20 -5.605 -17.302 -12.002 1.00 0.00 H new ATOM 0 H2'' DA B 20 -7.239 -17.920 -11.863 1.00 0.00 H new ATOM 0 HO3' DA B 20 -7.480 -19.748 -10.291 1.00 0.00 H new ATOM 0 H1' DA B 20 -7.819 -16.402 -10.123 1.00 0.00 H new ATOM 0 H8 DA B 20 -5.119 -15.345 -12.643 1.00 0.00 H new ATOM 0 H61 DA B 20 -8.186 -9.959 -12.742 1.00 0.00 H new ATOM 0 H62 DA B 20 -6.898 -10.907 -13.492 1.00 0.00 H new ATOM 0 H2 DA B 20 -9.944 -12.508 -9.528 1.00 0.00 H new TER 701 DA B 20