USER MOD reduce.3.24.130724 H: found=0, std=0, add=195, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 196 hydrogens (14 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 1 PSO H3 : B 1 PSO C3 : B 12 DT C6 :(H bumps) USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.55 (180deg=-1.55) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 PSO O14 : rot 180:sc= -0.393 USER MOD Single : B 9 DG O5' : rot 33:sc= 0.647 USER MOD Single : B 12 DT C7 :methyl 150:sc= -1.71 (180deg=-1.71) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -1.364 -10.874 8.889 1.00 0.00 O ATOM 2 C5' DG A 1 -0.303 -11.453 9.619 1.00 0.00 C ATOM 3 C4' DG A 1 1.059 -11.121 8.995 1.00 0.00 C ATOM 4 O4' DG A 1 1.122 -11.648 7.677 1.00 0.00 O ATOM 5 C3' DG A 1 1.321 -9.614 8.902 1.00 0.00 C ATOM 6 O3' DG A 1 2.701 -9.398 9.140 1.00 0.00 O ATOM 7 C2' DG A 1 0.904 -9.316 7.465 1.00 0.00 C ATOM 8 C1' DG A 1 1.315 -10.598 6.743 1.00 0.00 C ATOM 9 N9 DG A 1 0.509 -10.862 5.528 1.00 0.00 N ATOM 10 C8 DG A 1 -0.857 -10.924 5.412 1.00 0.00 C ATOM 11 N7 DG A 1 -1.282 -11.225 4.218 1.00 0.00 N ATOM 12 C5 DG A 1 -0.113 -11.402 3.485 1.00 0.00 C ATOM 13 C6 DG A 1 0.072 -11.740 2.110 1.00 0.00 C ATOM 14 O6 DG A 1 -0.787 -11.956 1.258 1.00 0.00 O ATOM 15 N1 DG A 1 1.407 -11.818 1.750 1.00 0.00 N ATOM 16 C2 DG A 1 2.452 -11.586 2.613 1.00 0.00 C ATOM 17 N2 DG A 1 3.691 -11.686 2.146 1.00 0.00 N ATOM 18 N3 DG A 1 2.294 -11.253 3.899 1.00 0.00 N ATOM 19 C4 DG A 1 0.989 -11.183 4.277 1.00 0.00 C ATOM 0 H5' DG A 1 -0.433 -12.535 9.655 1.00 0.00 H new ATOM 0 H5'' DG A 1 -0.330 -11.094 10.648 1.00 0.00 H new ATOM 0 H4' DG A 1 1.812 -11.565 9.646 1.00 0.00 H new ATOM 0 H3' DG A 1 0.793 -8.980 9.614 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.166 -9.126 7.382 1.00 0.00 H new ATOM 0 H2'' DG A 1 1.415 -8.440 7.065 1.00 0.00 H new ATOM 0 HO5' DG A 1 -2.217 -11.106 9.312 1.00 0.00 H new ATOM 0 H1' DG A 1 2.348 -10.512 6.405 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.524 -10.739 6.241 1.00 0.00 H new ATOM 0 H1 DG A 1 1.629 -12.063 0.785 1.00 0.00 H new ATOM 0 H21 DG A 1 4.484 -11.519 2.765 1.00 0.00 H new ATOM 0 H22 DG A 1 3.849 -11.930 1.168 1.00 0.00 H new ATOM 32 P DC A 2 3.378 -7.935 9.132 1.00 0.00 P ATOM 33 OP1 DC A 2 4.327 -7.863 10.263 1.00 0.00 O ATOM 34 OP2 DC A 2 2.310 -6.919 9.003 1.00 0.00 O ATOM 35 O5' DC A 2 4.215 -7.962 7.756 1.00 0.00 O ATOM 36 C5' DC A 2 5.297 -8.859 7.601 1.00 0.00 C ATOM 37 C4' DC A 2 5.968 -8.684 6.236 1.00 0.00 C ATOM 38 O4' DC A 2 5.074 -9.028 5.199 1.00 0.00 O ATOM 39 C3' DC A 2 6.440 -7.248 5.987 1.00 0.00 C ATOM 40 O3' DC A 2 7.792 -7.365 5.588 1.00 0.00 O ATOM 41 C2' DC A 2 5.470 -6.729 4.911 1.00 0.00 C ATOM 42 C1' DC A 2 5.065 -8.019 4.206 1.00 0.00 C ATOM 43 N1 DC A 2 3.686 -7.986 3.651 1.00 0.00 N ATOM 44 C2 DC A 2 3.475 -8.373 2.332 1.00 0.00 C ATOM 45 O2 DC A 2 4.418 -8.565 1.570 1.00 0.00 O ATOM 46 N3 DC A 2 2.202 -8.542 1.875 1.00 0.00 N ATOM 47 C4 DC A 2 1.165 -8.297 2.685 1.00 0.00 C ATOM 48 N4 DC A 2 -0.054 -8.581 2.248 1.00 0.00 N ATOM 49 C5 DC A 2 1.344 -7.908 4.048 1.00 0.00 C ATOM 50 C6 DC A 2 2.617 -7.777 4.482 1.00 0.00 C ATOM 0 H5' DC A 2 4.941 -9.884 7.706 1.00 0.00 H new ATOM 0 H5'' DC A 2 6.028 -8.692 8.393 1.00 0.00 H new ATOM 0 H4' DC A 2 6.836 -9.343 6.242 1.00 0.00 H new ATOM 0 H3' DC A 2 6.422 -6.550 6.824 1.00 0.00 H new ATOM 0 H2' DC A 2 4.613 -6.215 5.347 1.00 0.00 H new ATOM 0 H2'' DC A 2 5.952 -6.026 4.232 1.00 0.00 H new ATOM 0 H1' DC A 2 5.753 -8.182 3.376 1.00 0.00 H new ATOM 0 H41 DC A 2 -0.863 -8.405 2.844 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.183 -8.976 1.316 1.00 0.00 H new ATOM 0 H5 DC A 2 0.502 -7.727 4.700 1.00 0.00 H new ATOM 0 H6 DC A 2 2.796 -7.500 5.510 1.00 0.00 H new ATOM 62 P DG A 3 8.758 -6.098 5.426 1.00 0.00 P ATOM 63 OP1 DG A 3 10.150 -6.585 5.319 1.00 0.00 O ATOM 64 OP2 DG A 3 8.399 -5.097 6.454 1.00 0.00 O ATOM 65 O5' DG A 3 8.279 -5.562 4.000 1.00 0.00 O ATOM 66 C5' DG A 3 8.503 -6.310 2.823 1.00 0.00 C ATOM 67 C4' DG A 3 7.849 -5.594 1.642 1.00 0.00 C ATOM 68 O4' DG A 3 6.495 -5.901 1.438 1.00 0.00 O ATOM 69 C3' DG A 3 7.920 -4.074 1.763 1.00 0.00 C ATOM 70 O3' DG A 3 8.300 -3.577 0.516 1.00 0.00 O ATOM 71 C2' DG A 3 6.479 -3.746 2.087 1.00 0.00 C ATOM 72 C1' DG A 3 5.842 -4.697 1.086 1.00 0.00 C ATOM 73 N9 DG A 3 4.424 -4.966 1.196 1.00 0.00 N ATOM 74 C8 DG A 3 3.701 -4.840 2.312 1.00 0.00 C ATOM 75 N7 DG A 3 2.470 -5.251 2.225 1.00 0.00 N ATOM 76 C5 DG A 3 2.375 -5.636 0.883 1.00 0.00 C ATOM 77 C6 DG A 3 1.261 -6.073 0.112 1.00 0.00 C ATOM 78 O6 DG A 3 0.134 -6.366 0.498 1.00 0.00 O ATOM 79 N1 DG A 3 1.551 -6.157 -1.240 1.00 0.00 N ATOM 80 C2 DG A 3 2.803 -6.000 -1.778 1.00 0.00 C ATOM 81 N2 DG A 3 2.957 -6.176 -3.085 1.00 0.00 N ATOM 82 N3 DG A 3 3.880 -5.687 -1.056 1.00 0.00 N ATOM 83 C4 DG A 3 3.584 -5.480 0.251 1.00 0.00 C ATOM 0 H5' DG A 3 8.089 -7.313 2.930 1.00 0.00 H new ATOM 0 H5'' DG A 3 9.573 -6.424 2.648 1.00 0.00 H new ATOM 0 H4' DG A 3 8.434 -5.962 0.799 1.00 0.00 H new ATOM 0 H3' DG A 3 8.619 -3.667 2.493 1.00 0.00 H new ATOM 0 H2' DG A 3 6.210 -3.967 3.120 1.00 0.00 H new ATOM 0 H2'' DG A 3 6.226 -2.701 1.908 1.00 0.00 H new ATOM 0 H1' DG A 3 5.943 -4.278 0.085 1.00 0.00 H new ATOM 0 H8 DG A 3 4.110 -4.426 3.222 1.00 0.00 H new ATOM 0 H1 DG A 3 0.780 -6.349 -1.880 1.00 0.00 H new ATOM 0 H21 DG A 3 3.878 -6.065 -3.510 1.00 0.00 H new ATOM 0 H22 DG A 3 2.154 -6.422 -3.664 1.00 0.00 H new ATOM 95 P DT A 4 9.804 -3.626 -0.016 1.00 0.00 P ATOM 96 OP1 DT A 4 9.934 -4.769 -0.944 1.00 0.00 O ATOM 97 OP2 DT A 4 10.711 -3.490 1.143 1.00 0.00 O ATOM 98 O5' DT A 4 9.766 -2.252 -0.826 1.00 0.00 O ATOM 99 C5' DT A 4 8.628 -1.899 -1.587 1.00 0.00 C ATOM 100 C4' DT A 4 7.481 -1.245 -0.776 1.00 0.00 C ATOM 101 O4' DT A 4 6.340 -2.099 -0.640 1.00 0.00 O ATOM 102 C3' DT A 4 7.738 -0.776 0.685 1.00 0.00 C ATOM 103 O3' DT A 4 9.025 -0.163 0.884 1.00 0.00 O ATOM 104 C2' DT A 4 6.246 -0.397 0.758 1.00 0.00 C ATOM 105 C1' DT A 4 5.343 -1.277 -0.068 1.00 0.00 C ATOM 106 N1 DT A 4 4.154 -1.806 0.731 1.00 0.00 N ATOM 107 C2 DT A 4 3.100 -2.381 0.032 1.00 0.00 C ATOM 108 O2 DT A 4 3.188 -2.666 -1.157 1.00 0.00 O ATOM 109 N3 DT A 4 1.926 -2.635 0.712 1.00 0.00 N ATOM 110 C4 DT A 4 1.589 -2.311 2.005 1.00 0.00 C ATOM 111 O4 DT A 4 0.554 -2.745 2.504 1.00 0.00 O ATOM 112 C5 DT A 4 2.521 -1.405 2.799 1.00 0.00 C ATOM 113 C7 DT A 4 2.797 -1.898 4.222 1.00 0.00 C ATOM 114 C6 DT A 4 3.820 -1.119 2.045 1.00 0.00 C ATOM 0 H5' DT A 4 8.244 -2.794 -2.076 1.00 0.00 H new ATOM 0 H5'' DT A 4 8.934 -1.211 -2.375 1.00 0.00 H new ATOM 0 H4' DT A 4 7.348 -0.364 -1.404 1.00 0.00 H new ATOM 0 H3' DT A 4 8.037 -1.238 1.626 1.00 0.00 H new ATOM 0 H2' DT A 4 5.923 -0.439 1.798 1.00 0.00 H new ATOM 0 H2'' DT A 4 6.129 0.635 0.429 1.00 0.00 H new ATOM 0 H1' DT A 4 4.717 -0.867 -0.861 1.00 0.00 H new ATOM 0 H3 DT A 4 1.210 -3.132 0.182 1.00 0.00 H new ATOM 0 H71 DT A 4 3.792 -1.577 4.532 1.00 0.00 H new ATOM 0 H72 DT A 4 2.053 -1.482 4.902 1.00 0.00 H new ATOM 0 H73 DT A 4 2.743 -2.986 4.247 1.00 0.00 H new ATOM 0 H6 DT A 4 4.520 -0.408 2.458 1.00 0.00 H new ATOM 127 P DA A 5 9.832 0.931 -0.034 1.00 0.00 P ATOM 128 OP1 DA A 5 11.069 0.278 -0.510 1.00 0.00 O ATOM 129 OP2 DA A 5 9.929 2.174 0.759 1.00 0.00 O ATOM 130 O5' DA A 5 8.933 1.259 -1.322 1.00 0.00 O ATOM 131 C5' DA A 5 7.803 2.077 -1.176 1.00 0.00 C ATOM 132 C4' DA A 5 6.781 1.830 -2.299 1.00 0.00 C ATOM 133 O4' DA A 5 5.480 1.556 -1.794 1.00 0.00 O ATOM 134 C3' DA A 5 6.718 3.005 -3.242 1.00 0.00 C ATOM 135 O3' DA A 5 6.550 2.651 -4.605 1.00 0.00 O ATOM 136 C2' DA A 5 5.516 3.659 -2.664 1.00 0.00 C ATOM 137 C1' DA A 5 4.605 2.620 -2.100 1.00 0.00 C ATOM 138 N9 DA A 5 4.002 3.160 -0.857 1.00 0.00 N ATOM 139 C8 DA A 5 4.644 3.760 0.193 1.00 0.00 C ATOM 140 N7 DA A 5 3.880 4.181 1.154 1.00 0.00 N ATOM 141 C5 DA A 5 2.616 3.858 0.683 1.00 0.00 C ATOM 142 C6 DA A 5 1.326 4.058 1.195 1.00 0.00 C ATOM 143 N6 DA A 5 1.112 4.482 2.434 1.00 0.00 N ATOM 144 N1 DA A 5 0.284 3.870 0.380 1.00 0.00 N ATOM 145 C2 DA A 5 0.523 3.415 -0.839 1.00 0.00 C ATOM 146 N3 DA A 5 1.661 3.107 -1.425 1.00 0.00 N ATOM 147 C4 DA A 5 2.683 3.349 -0.588 1.00 0.00 C ATOM 0 H5' DA A 5 8.107 3.124 -1.182 1.00 0.00 H new ATOM 0 H5'' DA A 5 7.337 1.886 -0.209 1.00 0.00 H new ATOM 0 H4' DA A 5 7.125 0.949 -2.841 1.00 0.00 H new ATOM 0 H3' DA A 5 7.625 3.607 -3.297 1.00 0.00 H new ATOM 0 H2' DA A 5 5.811 4.361 -1.884 1.00 0.00 H new ATOM 0 H2'' DA A 5 4.998 4.234 -3.431 1.00 0.00 H new ATOM 0 H1' DA A 5 3.796 2.319 -2.765 1.00 0.00 H new ATOM 0 H8 DA A 5 5.717 3.876 0.220 1.00 0.00 H new ATOM 0 H61 DA A 5 0.158 4.615 2.770 1.00 0.00 H new ATOM 0 H62 DA A 5 1.901 4.675 3.051 1.00 0.00 H new ATOM 0 H2 DA A 5 -0.356 3.274 -1.451 1.00 0.00 H new ATOM 159 P DC A 6 6.570 3.761 -5.785 1.00 0.00 P ATOM 160 OP1 DC A 6 6.523 3.046 -7.078 1.00 0.00 O ATOM 161 OP2 DC A 6 7.689 4.685 -5.501 1.00 0.00 O ATOM 162 O5' DC A 6 5.187 4.585 -5.611 1.00 0.00 O ATOM 163 C5' DC A 6 3.943 4.020 -5.979 1.00 0.00 C ATOM 164 C4' DC A 6 2.753 4.862 -5.491 1.00 0.00 C ATOM 165 O4' DC A 6 2.592 4.812 -4.077 1.00 0.00 O ATOM 166 C3' DC A 6 2.807 6.360 -5.862 1.00 0.00 C ATOM 167 O3' DC A 6 1.742 6.635 -6.760 1.00 0.00 O ATOM 168 C2' DC A 6 2.626 7.016 -4.490 1.00 0.00 C ATOM 169 C1' DC A 6 1.830 5.960 -3.749 1.00 0.00 C ATOM 170 N1 DC A 6 1.764 6.292 -2.303 1.00 0.00 N ATOM 171 C2 DC A 6 0.531 6.630 -1.733 1.00 0.00 C ATOM 172 O2 DC A 6 -0.516 6.594 -2.376 1.00 0.00 O ATOM 173 N3 DC A 6 0.478 7.009 -0.427 1.00 0.00 N ATOM 174 C4 DC A 6 1.603 7.111 0.283 1.00 0.00 C ATOM 175 N4 DC A 6 1.524 7.411 1.570 1.00 0.00 N ATOM 176 C5 DC A 6 2.865 6.740 -0.263 1.00 0.00 C ATOM 177 C6 DC A 6 2.904 6.335 -1.545 1.00 0.00 C ATOM 0 H5' DC A 6 3.867 3.014 -5.566 1.00 0.00 H new ATOM 0 H5'' DC A 6 3.897 3.924 -7.064 1.00 0.00 H new ATOM 0 H4' DC A 6 1.917 4.397 -6.014 1.00 0.00 H new ATOM 0 H3' DC A 6 3.709 6.708 -6.365 1.00 0.00 H new ATOM 0 H2' DC A 6 3.580 7.224 -4.006 1.00 0.00 H new ATOM 0 H2'' DC A 6 2.089 7.962 -4.556 1.00 0.00 H new ATOM 0 H1' DC A 6 0.778 5.847 -4.011 1.00 0.00 H new ATOM 0 H41 DC A 6 2.374 7.493 2.128 1.00 0.00 H new ATOM 0 H42 DC A 6 0.613 7.560 2.004 1.00 0.00 H new ATOM 0 H5 DC A 6 3.764 6.783 0.334 1.00 0.00 H new ATOM 0 H6 DC A 6 3.846 6.040 -1.982 1.00 0.00 H new ATOM 189 P DG A 7 1.344 8.126 -7.250 1.00 0.00 P ATOM 190 OP1 DG A 7 1.011 8.053 -8.689 1.00 0.00 O ATOM 191 OP2 DG A 7 2.390 9.066 -6.791 1.00 0.00 O ATOM 192 O5' DG A 7 -0.015 8.429 -6.422 1.00 0.00 O ATOM 193 C5' DG A 7 -1.189 7.690 -6.704 1.00 0.00 C ATOM 194 C4' DG A 7 -2.438 8.149 -5.940 1.00 0.00 C ATOM 195 O4' DG A 7 -2.178 8.128 -4.547 1.00 0.00 O ATOM 196 C3' DG A 7 -2.900 9.569 -6.295 1.00 0.00 C ATOM 197 O3' DG A 7 -4.318 9.604 -6.238 1.00 0.00 O ATOM 198 C2' DG A 7 -2.223 10.364 -5.197 1.00 0.00 C ATOM 199 C1' DG A 7 -2.406 9.419 -4.012 1.00 0.00 C ATOM 200 N9 DG A 7 -1.447 9.676 -2.923 1.00 0.00 N ATOM 201 C8 DG A 7 -0.091 9.828 -3.019 1.00 0.00 C ATOM 202 N7 DG A 7 0.509 9.990 -1.873 1.00 0.00 N ATOM 203 C5 DG A 7 -0.527 9.902 -0.942 1.00 0.00 C ATOM 204 C6 DG A 7 -0.509 9.951 0.486 1.00 0.00 C ATOM 205 O6 DG A 7 0.439 10.189 1.228 1.00 0.00 O ATOM 206 N1 DG A 7 -1.748 9.689 1.052 1.00 0.00 N ATOM 207 C2 DG A 7 -2.900 9.517 0.332 1.00 0.00 C ATOM 208 N2 DG A 7 -4.034 9.318 0.994 1.00 0.00 N ATOM 209 N3 DG A 7 -2.946 9.534 -1.003 1.00 0.00 N ATOM 210 C4 DG A 7 -1.724 9.690 -1.578 1.00 0.00 C ATOM 0 H5' DG A 7 -1.005 6.641 -6.474 1.00 0.00 H new ATOM 0 H5'' DG A 7 -1.392 7.751 -7.773 1.00 0.00 H new ATOM 0 H4' DG A 7 -3.228 7.456 -6.228 1.00 0.00 H new ATOM 0 H3' DG A 7 -2.650 9.944 -7.288 1.00 0.00 H new ATOM 0 H2' DG A 7 -1.172 10.558 -5.414 1.00 0.00 H new ATOM 0 H2'' DG A 7 -2.698 11.331 -5.033 1.00 0.00 H new ATOM 0 H1' DG A 7 -3.395 9.545 -3.571 1.00 0.00 H new ATOM 0 H8 DG A 7 0.436 9.815 -3.961 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.805 9.620 2.068 1.00 0.00 H new ATOM 0 H21 DG A 7 -4.907 9.187 0.483 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.032 9.296 2.014 1.00 0.00 H new ATOM 222 P DC A 8 -5.178 10.914 -6.631 1.00 0.00 P ATOM 223 OP1 DC A 8 -6.317 10.478 -7.466 1.00 0.00 O ATOM 224 OP2 DC A 8 -4.246 11.943 -7.142 1.00 0.00 O ATOM 225 O5' DC A 8 -5.743 11.415 -5.207 1.00 0.00 O ATOM 226 C5' DC A 8 -6.880 10.809 -4.623 1.00 0.00 C ATOM 227 C4' DC A 8 -7.072 11.310 -3.190 1.00 0.00 C ATOM 228 O4' DC A 8 -5.937 11.003 -2.409 1.00 0.00 O ATOM 229 C3' DC A 8 -7.221 12.824 -3.068 1.00 0.00 C ATOM 230 O3' DC A 8 -8.532 13.255 -3.362 1.00 0.00 O ATOM 231 C2' DC A 8 -6.866 13.034 -1.601 1.00 0.00 C ATOM 232 C1' DC A 8 -5.923 11.865 -1.279 1.00 0.00 C ATOM 233 N1 DC A 8 -4.536 12.333 -1.014 1.00 0.00 N ATOM 234 C2 DC A 8 -4.140 12.529 0.305 1.00 0.00 C ATOM 235 O2 DC A 8 -4.945 12.445 1.229 1.00 0.00 O ATOM 236 N3 DC A 8 -2.836 12.818 0.577 1.00 0.00 N ATOM 237 C4 DC A 8 -1.960 12.965 -0.423 1.00 0.00 C ATOM 238 N4 DC A 8 -0.685 13.159 -0.116 1.00 0.00 N ATOM 239 C5 DC A 8 -2.349 12.832 -1.794 1.00 0.00 C ATOM 240 C6 DC A 8 -3.640 12.510 -2.037 1.00 0.00 C ATOM 0 H5' DC A 8 -6.764 9.725 -4.624 1.00 0.00 H new ATOM 0 H5'' DC A 8 -7.766 11.035 -5.216 1.00 0.00 H new ATOM 0 H4' DC A 8 -7.986 10.819 -2.857 1.00 0.00 H new ATOM 0 H3' DC A 8 -6.603 13.391 -3.764 1.00 0.00 H new ATOM 0 H2' DC A 8 -6.379 13.996 -1.441 1.00 0.00 H new ATOM 0 H2'' DC A 8 -7.754 13.017 -0.969 1.00 0.00 H new ATOM 0 HO3' DC A 8 -8.584 14.229 -3.270 1.00 0.00 H new ATOM 0 H1' DC A 8 -6.260 11.353 -0.377 1.00 0.00 H new ATOM 0 H41 DC A 8 0.006 13.274 -0.857 1.00 0.00 H new ATOM 0 H42 DC A 8 -0.395 13.193 0.861 1.00 0.00 H new ATOM 0 H5 DC A 8 -1.644 12.982 -2.598 1.00 0.00 H new ATOM 0 H6 DC A 8 -3.972 12.390 -3.058 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 9 0.993 12.301 9.486 1.00 0.00 O ATOM 255 C5' DG B 9 0.048 12.449 10.520 1.00 0.00 C ATOM 256 C4' DG B 9 -1.229 11.650 10.227 1.00 0.00 C ATOM 257 O4' DG B 9 -1.651 11.855 8.886 1.00 0.00 O ATOM 258 C3' DG B 9 -1.067 10.139 10.403 1.00 0.00 C ATOM 259 O3' DG B 9 -2.334 9.675 10.830 1.00 0.00 O ATOM 260 C2' DG B 9 -0.661 9.703 8.994 1.00 0.00 C ATOM 261 C1' DG B 9 -1.448 10.676 8.114 1.00 0.00 C ATOM 262 N9 DG B 9 -0.789 11.066 6.843 1.00 0.00 N ATOM 263 C8 DG B 9 0.547 11.224 6.558 1.00 0.00 C ATOM 264 N7 DG B 9 0.791 11.719 5.379 1.00 0.00 N ATOM 265 C5 DG B 9 -0.472 11.894 4.823 1.00 0.00 C ATOM 266 C6 DG B 9 -0.858 12.377 3.536 1.00 0.00 C ATOM 267 O6 DG B 9 -0.142 12.828 2.646 1.00 0.00 O ATOM 268 N1 DG B 9 -2.224 12.303 3.321 1.00 0.00 N ATOM 269 C2 DG B 9 -3.130 11.890 4.269 1.00 0.00 C ATOM 270 N2 DG B 9 -4.418 11.876 3.947 1.00 0.00 N ATOM 271 N3 DG B 9 -2.786 11.472 5.493 1.00 0.00 N ATOM 272 C4 DG B 9 -1.443 11.487 5.705 1.00 0.00 C ATOM 0 H5' DG B 9 -0.200 13.504 10.641 1.00 0.00 H new ATOM 0 H5'' DG B 9 0.481 12.114 11.462 1.00 0.00 H new ATOM 0 H4' DG B 9 -1.957 12.016 10.951 1.00 0.00 H new ATOM 0 H3' DG B 9 -0.341 9.769 11.127 1.00 0.00 H new ATOM 0 H2' DG B 9 0.414 9.789 8.835 1.00 0.00 H new ATOM 0 H2'' DG B 9 -0.930 8.666 8.796 1.00 0.00 H new ATOM 0 HO5' DG B 9 0.528 12.202 8.629 1.00 0.00 H new ATOM 0 H1' DG B 9 -2.365 10.165 7.821 1.00 0.00 H new ATOM 0 H8 DG B 9 1.329 10.959 7.254 1.00 0.00 H new ATOM 0 H1 DG B 9 -2.580 12.571 2.403 1.00 0.00 H new ATOM 0 H21 DG B 9 -5.112 11.574 4.631 1.00 0.00 H new ATOM 0 H22 DG B 9 -4.714 12.167 3.015 1.00 0.00 H new ATOM 285 P DC B 10 -2.667 8.130 11.110 1.00 0.00 P ATOM 286 OP1 DC B 10 -3.476 8.046 12.344 1.00 0.00 O ATOM 287 OP2 DC B 10 -1.419 7.345 10.987 1.00 0.00 O ATOM 288 O5' DC B 10 -3.602 7.804 9.847 1.00 0.00 O ATOM 289 C5' DC B 10 -4.891 8.374 9.729 1.00 0.00 C ATOM 290 C4' DC B 10 -5.516 8.006 8.378 1.00 0.00 C ATOM 291 O4' DC B 10 -4.799 8.649 7.327 1.00 0.00 O ATOM 292 C3' DC B 10 -5.471 6.490 8.125 1.00 0.00 C ATOM 293 O3' DC B 10 -6.682 6.125 7.514 1.00 0.00 O ATOM 294 C2' DC B 10 -4.250 6.425 7.213 1.00 0.00 C ATOM 295 C1' DC B 10 -4.413 7.682 6.368 1.00 0.00 C ATOM 296 N1 DC B 10 -3.159 8.052 5.660 1.00 0.00 N ATOM 297 C2 DC B 10 -3.185 8.585 4.372 1.00 0.00 C ATOM 298 O2 DC B 10 -4.245 8.774 3.779 1.00 0.00 O ATOM 299 N3 DC B 10 -2.002 8.905 3.756 1.00 0.00 N ATOM 300 C4 DC B 10 -0.837 8.638 4.368 1.00 0.00 C ATOM 301 N4 DC B 10 0.297 9.029 3.801 1.00 0.00 N ATOM 302 C5 DC B 10 -0.793 8.042 5.664 1.00 0.00 C ATOM 303 C6 DC B 10 -1.967 7.779 6.247 1.00 0.00 C ATOM 0 H5' DC B 10 -4.826 9.458 9.824 1.00 0.00 H new ATOM 0 H5'' DC B 10 -5.528 8.020 10.540 1.00 0.00 H new ATOM 0 H4' DC B 10 -6.556 8.332 8.401 1.00 0.00 H new ATOM 0 H3' DC B 10 -5.382 5.818 8.979 1.00 0.00 H new ATOM 0 H2' DC B 10 -3.318 6.433 7.779 1.00 0.00 H new ATOM 0 H2'' DC B 10 -4.245 5.522 6.603 1.00 0.00 H new ATOM 0 H1' DC B 10 -5.137 7.568 5.561 1.00 0.00 H new ATOM 0 H41 DC B 10 1.189 8.832 4.256 1.00 0.00 H new ATOM 0 H42 DC B 10 0.277 9.526 2.911 1.00 0.00 H new ATOM 0 H5 DC B 10 0.144 7.814 6.151 1.00 0.00 H new ATOM 0 H6 DC B 10 -1.966 7.329 7.229 1.00 0.00 H new ATOM 315 P DG B 11 -7.109 4.595 7.301 1.00 0.00 P ATOM 316 OP1 DG B 11 -8.342 4.345 8.077 1.00 0.00 O ATOM 317 OP2 DG B 11 -5.921 3.736 7.491 1.00 0.00 O ATOM 318 O5' DG B 11 -7.459 4.636 5.742 1.00 0.00 O ATOM 319 C5' DG B 11 -8.420 5.541 5.241 1.00 0.00 C ATOM 320 C4' DG B 11 -8.516 5.393 3.725 1.00 0.00 C ATOM 321 O4' DG B 11 -7.348 5.928 3.133 1.00 0.00 O ATOM 322 C3' DG B 11 -8.631 3.926 3.308 1.00 0.00 C ATOM 323 O3' DG B 11 -9.598 3.861 2.278 1.00 0.00 O ATOM 324 C2' DG B 11 -7.199 3.577 2.892 1.00 0.00 C ATOM 325 C1' DG B 11 -6.639 4.924 2.430 1.00 0.00 C ATOM 326 N9 DG B 11 -5.205 5.093 2.739 1.00 0.00 N ATOM 327 C8 DG B 11 -4.584 4.925 3.951 1.00 0.00 C ATOM 328 N7 DG B 11 -3.346 5.317 3.979 1.00 0.00 N ATOM 329 C5 DG B 11 -3.111 5.737 2.674 1.00 0.00 C ATOM 330 C6 DG B 11 -1.909 6.196 2.070 1.00 0.00 C ATOM 331 O6 DG B 11 -0.824 6.383 2.608 1.00 0.00 O ATOM 332 N1 DG B 11 -2.041 6.443 0.718 1.00 0.00 N ATOM 333 C2 DG B 11 -3.213 6.305 0.019 1.00 0.00 C ATOM 334 N2 DG B 11 -3.169 6.516 -1.292 1.00 0.00 N ATOM 335 N3 DG B 11 -4.356 5.872 0.572 1.00 0.00 N ATOM 336 C4 DG B 11 -4.236 5.598 1.901 1.00 0.00 C ATOM 0 H5' DG B 11 -8.143 6.563 5.501 1.00 0.00 H new ATOM 0 H5'' DG B 11 -9.390 5.348 5.698 1.00 0.00 H new ATOM 0 H4' DG B 11 -9.408 5.924 3.394 1.00 0.00 H new ATOM 0 H3' DG B 11 -8.970 3.215 4.062 1.00 0.00 H new ATOM 0 H2' DG B 11 -6.626 3.165 3.723 1.00 0.00 H new ATOM 0 H2'' DG B 11 -7.180 2.836 2.093 1.00 0.00 H new ATOM 0 H1' DG B 11 -6.751 4.985 1.348 1.00 0.00 H new ATOM 0 H8 DG B 11 -5.083 4.502 4.810 1.00 0.00 H new ATOM 0 H1 DG B 11 -1.213 6.748 0.206 1.00 0.00 H new ATOM 0 H21 DG B 11 -4.017 6.425 -1.852 1.00 0.00 H new ATOM 0 H22 DG B 11 -2.288 6.769 -1.738 1.00 0.00 H new ATOM 348 P DT B 12 -10.174 2.466 1.727 1.00 0.00 P ATOM 349 OP1 DT B 12 -11.477 2.729 1.079 1.00 0.00 O ATOM 350 OP2 DT B 12 -10.074 1.460 2.806 1.00 0.00 O ATOM 351 O5' DT B 12 -9.095 2.116 0.598 1.00 0.00 O ATOM 352 C5' DT B 12 -9.046 2.850 -0.607 1.00 0.00 C ATOM 353 C4' DT B 12 -7.812 2.436 -1.406 1.00 0.00 C ATOM 354 O4' DT B 12 -6.619 2.810 -0.758 1.00 0.00 O ATOM 355 C3' DT B 12 -7.706 0.921 -1.595 1.00 0.00 C ATOM 356 O3' DT B 12 -8.422 0.588 -2.769 1.00 0.00 O ATOM 357 C2' DT B 12 -6.189 0.699 -1.639 1.00 0.00 C ATOM 358 C1' DT B 12 -5.591 2.093 -1.411 1.00 0.00 C ATOM 359 N1 DT B 12 -4.361 2.155 -0.586 1.00 0.00 N ATOM 360 C2 DT B 12 -3.372 3.107 -0.795 1.00 0.00 C ATOM 361 O2 DT B 12 -3.302 3.766 -1.827 1.00 0.00 O ATOM 362 N3 DT B 12 -2.455 3.287 0.225 1.00 0.00 N ATOM 363 C4 DT B 12 -2.426 2.626 1.427 1.00 0.00 C ATOM 364 O4 DT B 12 -1.732 3.041 2.350 1.00 0.00 O ATOM 365 C5 DT B 12 -3.269 1.369 1.600 1.00 0.00 C ATOM 366 C7 DT B 12 -4.199 1.432 2.817 1.00 0.00 C ATOM 367 C6 DT B 12 -4.177 1.099 0.420 1.00 0.00 C ATOM 0 H5' DT B 12 -9.012 3.918 -0.393 1.00 0.00 H new ATOM 0 H5'' DT B 12 -9.948 2.670 -1.192 1.00 0.00 H new ATOM 0 H4' DT B 12 -7.933 2.941 -2.364 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.139 0.282 -0.825 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.868 -0.002 -0.868 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.876 0.285 -2.597 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.273 2.491 -2.374 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.726 3.982 0.067 1.00 0.00 H new ATOM 0 H71 DT B 12 -5.093 0.840 2.622 1.00 0.00 H new ATOM 0 H72 DT B 12 -3.683 1.033 3.690 1.00 0.00 H new ATOM 0 H73 DT B 12 -4.483 2.467 3.005 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.680 0.149 0.319 1.00 0.00 H new ATOM 380 P DA B 13 -8.831 -0.924 -3.136 1.00 0.00 P ATOM 381 OP1 DA B 13 -9.871 -0.871 -4.185 1.00 0.00 O ATOM 382 OP2 DA B 13 -9.094 -1.653 -1.876 1.00 0.00 O ATOM 383 O5' DA B 13 -7.486 -1.504 -3.783 1.00 0.00 O ATOM 384 C5' DA B 13 -6.944 -0.941 -4.960 1.00 0.00 C ATOM 385 C4' DA B 13 -5.631 -1.655 -5.266 1.00 0.00 C ATOM 386 O4' DA B 13 -4.767 -1.549 -4.152 1.00 0.00 O ATOM 387 C3' DA B 13 -5.858 -3.146 -5.547 1.00 0.00 C ATOM 388 O3' DA B 13 -5.067 -3.637 -6.604 1.00 0.00 O ATOM 389 C2' DA B 13 -5.323 -3.755 -4.271 1.00 0.00 C ATOM 390 C1' DA B 13 -4.171 -2.806 -3.938 1.00 0.00 C ATOM 391 N9 DA B 13 -3.767 -2.972 -2.535 1.00 0.00 N ATOM 392 C8 DA B 13 -4.604 -2.934 -1.460 1.00 0.00 C ATOM 393 N7 DA B 13 -4.070 -3.356 -0.348 1.00 0.00 N ATOM 394 C5 DA B 13 -2.732 -3.528 -0.697 1.00 0.00 C ATOM 395 C6 DA B 13 -1.584 -3.801 0.064 1.00 0.00 C ATOM 396 N6 DA B 13 -1.628 -4.105 1.357 1.00 0.00 N ATOM 397 N1 DA B 13 -0.384 -3.606 -0.494 1.00 0.00 N ATOM 398 C2 DA B 13 -0.308 -3.284 -1.775 1.00 0.00 C ATOM 399 N3 DA B 13 -1.307 -3.088 -2.634 1.00 0.00 N ATOM 400 C4 DA B 13 -2.514 -3.207 -2.014 1.00 0.00 C ATOM 0 H5' DA B 13 -6.774 0.128 -4.828 1.00 0.00 H new ATOM 0 H5'' DA B 13 -7.641 -1.053 -5.791 1.00 0.00 H new ATOM 0 H4' DA B 13 -5.196 -1.185 -6.148 1.00 0.00 H new ATOM 0 H3' DA B 13 -6.892 -3.360 -5.816 1.00 0.00 H new ATOM 0 H2' DA B 13 -6.075 -3.780 -3.482 1.00 0.00 H new ATOM 0 H2'' DA B 13 -4.981 -4.779 -4.418 1.00 0.00 H new ATOM 0 H1' DA B 13 -3.266 -2.966 -4.525 1.00 0.00 H new ATOM 0 H8 DA B 13 -5.624 -2.584 -1.524 1.00 0.00 H new ATOM 0 H61 DA B 13 -0.765 -4.295 1.866 1.00 0.00 H new ATOM 0 H62 DA B 13 -2.525 -4.148 1.840 1.00 0.00 H new ATOM 0 H2 DA B 13 0.689 -3.165 -2.174 1.00 0.00 H new ATOM 412 P DC B 14 -5.528 -3.508 -8.133 1.00 0.00 P ATOM 413 OP1 DC B 14 -5.667 -2.070 -8.449 1.00 0.00 O ATOM 414 OP2 DC B 14 -6.677 -4.416 -8.330 1.00 0.00 O ATOM 415 O5' DC B 14 -4.259 -4.107 -8.922 1.00 0.00 O ATOM 416 C5' DC B 14 -2.989 -3.490 -8.844 1.00 0.00 C ATOM 417 C4' DC B 14 -1.987 -4.316 -8.027 1.00 0.00 C ATOM 418 O4' DC B 14 -2.327 -4.469 -6.655 1.00 0.00 O ATOM 419 C3' DC B 14 -1.768 -5.742 -8.567 1.00 0.00 C ATOM 420 O3' DC B 14 -0.473 -5.779 -9.146 1.00 0.00 O ATOM 421 C2' DC B 14 -1.889 -6.588 -7.292 1.00 0.00 C ATOM 422 C1' DC B 14 -1.528 -5.557 -6.227 1.00 0.00 C ATOM 423 N1 DC B 14 -1.756 -6.012 -4.824 1.00 0.00 N ATOM 424 C2 DC B 14 -0.662 -6.095 -3.963 1.00 0.00 C ATOM 425 O2 DC B 14 0.486 -5.903 -4.358 1.00 0.00 O ATOM 426 N3 DC B 14 -0.860 -6.396 -2.652 1.00 0.00 N ATOM 427 C4 DC B 14 -2.076 -6.716 -2.210 1.00 0.00 C ATOM 428 N4 DC B 14 -2.229 -6.951 -0.914 1.00 0.00 N ATOM 429 C5 DC B 14 -3.211 -6.716 -3.079 1.00 0.00 C ATOM 430 C6 DC B 14 -2.997 -6.364 -4.368 1.00 0.00 C ATOM 0 H5' DC B 14 -3.095 -2.503 -8.394 1.00 0.00 H new ATOM 0 H5'' DC B 14 -2.598 -3.341 -9.850 1.00 0.00 H new ATOM 0 H4' DC B 14 -1.081 -3.718 -8.126 1.00 0.00 H new ATOM 0 H3' DC B 14 -2.457 -6.089 -9.337 1.00 0.00 H new ATOM 0 H2' DC B 14 -2.894 -6.988 -7.156 1.00 0.00 H new ATOM 0 H2'' DC B 14 -1.205 -7.437 -7.293 1.00 0.00 H new ATOM 0 H1' DC B 14 -0.466 -5.321 -6.160 1.00 0.00 H new ATOM 0 H41 DC B 14 -3.147 -7.198 -0.545 1.00 0.00 H new ATOM 0 H42 DC B 14 -1.428 -6.885 -0.286 1.00 0.00 H new ATOM 0 H5 DC B 14 -4.195 -6.985 -2.723 1.00 0.00 H new ATOM 0 H6 DC B 14 -3.829 -6.361 -5.056 1.00 0.00 H new ATOM 442 P DG B 15 0.019 -6.922 -10.180 1.00 0.00 P ATOM 443 OP1 DG B 15 1.008 -6.297 -11.082 1.00 0.00 O ATOM 444 OP2 DG B 15 -1.178 -7.577 -10.751 1.00 0.00 O ATOM 445 O5' DG B 15 0.797 -8.007 -9.273 1.00 0.00 O ATOM 446 C5' DG B 15 1.622 -7.612 -8.193 1.00 0.00 C ATOM 447 C4' DG B 15 2.750 -8.618 -7.900 1.00 0.00 C ATOM 448 O4' DG B 15 2.940 -8.608 -6.495 1.00 0.00 O ATOM 449 C3' DG B 15 2.485 -10.085 -8.284 1.00 0.00 C ATOM 450 O3' DG B 15 3.696 -10.819 -8.253 1.00 0.00 O ATOM 451 C2' DG B 15 1.539 -10.367 -7.140 1.00 0.00 C ATOM 452 C1' DG B 15 2.324 -9.765 -5.970 1.00 0.00 C ATOM 453 N9 DG B 15 1.460 -9.495 -4.807 1.00 0.00 N ATOM 454 C8 DG B 15 0.100 -9.456 -4.786 1.00 0.00 C ATOM 455 N7 DG B 15 -0.428 -9.334 -3.604 1.00 0.00 N ATOM 456 C5 DG B 15 0.682 -9.280 -2.763 1.00 0.00 C ATOM 457 C6 DG B 15 0.763 -9.196 -1.341 1.00 0.00 C ATOM 458 O6 DG B 15 -0.158 -9.126 -0.533 1.00 0.00 O ATOM 459 N1 DG B 15 2.071 -9.199 -0.879 1.00 0.00 N ATOM 460 C2 DG B 15 3.175 -9.325 -1.686 1.00 0.00 C ATOM 461 N2 DG B 15 4.376 -9.365 -1.124 1.00 0.00 N ATOM 462 N3 DG B 15 3.111 -9.457 -3.013 1.00 0.00 N ATOM 463 C4 DG B 15 1.841 -9.398 -3.491 1.00 0.00 C ATOM 0 H5' DG B 15 1.009 -7.491 -7.300 1.00 0.00 H new ATOM 0 H5'' DG B 15 2.059 -6.638 -8.414 1.00 0.00 H new ATOM 0 H4' DG B 15 3.597 -8.297 -8.506 1.00 0.00 H new ATOM 0 H3' DG B 15 2.099 -10.324 -9.275 1.00 0.00 H new ATOM 0 H2' DG B 15 0.569 -9.889 -7.277 1.00 0.00 H new ATOM 0 H2'' DG B 15 1.353 -11.433 -7.009 1.00 0.00 H new ATOM 0 H1' DG B 15 3.072 -10.454 -5.579 1.00 0.00 H new ATOM 0 H8 DG B 15 -0.496 -9.521 -5.684 1.00 0.00 H new ATOM 0 H1 DG B 15 2.223 -9.101 0.125 1.00 0.00 H new ATOM 0 H21 DG B 15 5.209 -9.458 -1.706 1.00 0.00 H new ATOM 0 H22 DG B 15 4.467 -9.303 -0.110 1.00 0.00 H new ATOM 475 P DC B 16 3.755 -12.416 -8.486 1.00 0.00 P ATOM 476 OP1 DC B 16 4.812 -12.695 -9.481 1.00 0.00 O ATOM 477 OP2 DC B 16 2.379 -12.905 -8.719 1.00 0.00 O ATOM 478 O5' DC B 16 4.246 -12.955 -7.049 1.00 0.00 O ATOM 479 C5' DC B 16 5.560 -12.688 -6.602 1.00 0.00 C ATOM 480 C4' DC B 16 5.736 -13.049 -5.128 1.00 0.00 C ATOM 481 O4' DC B 16 4.887 -12.229 -4.359 1.00 0.00 O ATOM 482 C3' DC B 16 5.357 -14.480 -4.754 1.00 0.00 C ATOM 483 O3' DC B 16 6.399 -15.400 -4.998 1.00 0.00 O ATOM 484 C2' DC B 16 5.090 -14.321 -3.262 1.00 0.00 C ATOM 485 C1' DC B 16 4.669 -12.852 -3.107 1.00 0.00 C ATOM 486 N1 DC B 16 3.235 -12.730 -2.735 1.00 0.00 N ATOM 487 C2 DC B 16 2.910 -12.607 -1.388 1.00 0.00 C ATOM 488 O2 DC B 16 3.777 -12.626 -0.518 1.00 0.00 O ATOM 489 N3 DC B 16 1.606 -12.462 -1.026 1.00 0.00 N ATOM 490 C4 DC B 16 0.646 -12.470 -1.955 1.00 0.00 C ATOM 491 N4 DC B 16 -0.601 -12.252 -1.562 1.00 0.00 N ATOM 492 C5 DC B 16 0.945 -12.605 -3.349 1.00 0.00 C ATOM 493 C6 DC B 16 2.250 -12.725 -3.690 1.00 0.00 C ATOM 0 H5' DC B 16 5.787 -11.632 -6.748 1.00 0.00 H new ATOM 0 H5'' DC B 16 6.272 -13.254 -7.203 1.00 0.00 H new ATOM 0 H4' DC B 16 6.801 -12.918 -4.936 1.00 0.00 H new ATOM 0 H3' DC B 16 4.523 -14.880 -5.331 1.00 0.00 H new ATOM 0 H2' DC B 16 4.305 -14.998 -2.924 1.00 0.00 H new ATOM 0 H2'' DC B 16 5.979 -14.544 -2.673 1.00 0.00 H new ATOM 0 HO3' DC B 16 6.108 -16.300 -4.741 1.00 0.00 H new ATOM 0 H1' DC B 16 5.249 -12.383 -2.312 1.00 0.00 H new ATOM 0 H41 DC B 16 -1.358 -12.251 -2.245 1.00 0.00 H new ATOM 0 H42 DC B 16 -0.803 -12.085 -0.576 1.00 0.00 H new ATOM 0 H5 DC B 16 0.164 -12.611 -4.095 1.00 0.00 H new ATOM 0 H6 DC B 16 2.520 -12.818 -4.732 1.00 0.00 H new TER 506 DC B 16 HETATM 507 O1 PSO B 1 -1.365 0.149 -1.396 1.00 0.00 O HETATM 508 C2 PSO B 1 -2.614 0.036 -1.328 1.00 0.00 C HETATM 509 C3 PSO B 1 -3.380 -0.107 -0.024 1.00 0.00 C HETATM 510 C4 PSO B 1 -2.570 0.040 1.228 1.00 0.00 C HETATM 511 C5 PSO B 1 -0.338 0.308 2.070 1.00 0.00 C HETATM 512 C6 PSO B 1 1.050 0.461 1.866 1.00 0.00 C HETATM 513 C7 PSO B 1 1.554 0.486 0.615 1.00 0.00 C HETATM 514 C8 PSO B 1 0.710 0.231 -0.470 1.00 0.00 C HETATM 515 C9 PSO B 1 -0.691 0.221 -0.317 1.00 0.00 C HETATM 516 C10 PSO B 1 -1.205 0.201 0.973 1.00 0.00 C HETATM 517 C4' PSO B 1 2.157 0.099 2.805 1.00 0.00 C HETATM 518 C5' PSO B 1 3.333 0.330 1.867 1.00 0.00 C HETATM 519 O6' PSO B 1 2.812 0.517 0.545 1.00 0.00 O HETATM 520 O11 PSO B 1 -3.246 0.042 -2.378 1.00 0.00 O HETATM 521 C12 PSO B 1 -2.885 -0.999 2.316 1.00 0.00 C HETATM 522 C13 PSO B 1 2.164 0.858 4.140 1.00 0.00 C HETATM 523 O14 PSO B 1 1.802 2.218 4.063 1.00 0.00 O HETATM 524 C15 PSO B 1 4.158 1.480 2.423 1.00 0.00 C HETATM 525 C16 PSO B 1 1.303 -0.049 -1.821 1.00 0.00 C HETATM 0 H163 PSO B 1 1.899 0.806 -2.141 1.00 0.00 H new HETATM 0 H162 PSO B 1 1.938 -0.933 -1.763 1.00 0.00 H new HETATM 0 H161 PSO B 1 0.503 -0.224 -2.540 1.00 0.00 H new HETATM 0 H153 PSO B 1 3.541 2.376 2.480 1.00 0.00 H new HETATM 0 H152 PSO B 1 4.516 1.222 3.420 1.00 0.00 H new HETATM 0 H151 PSO B 1 5.009 1.667 1.768 1.00 0.00 H new HETATM 0 H132 PSO B 1 1.483 0.356 4.827 1.00 0.00 H new HETATM 0 H131 PSO B 1 3.162 0.789 4.573 1.00 0.00 H new HETATM 0 H123 PSO B 1 -3.933 -0.917 2.605 1.00 0.00 H new HETATM 0 H122 PSO B 1 -2.693 -2.000 1.930 1.00 0.00 H new HETATM 0 H121 PSO B 1 -2.253 -0.818 3.186 1.00 0.00 H new HETATM 0 H5 PSO B 1 -0.737 0.273 3.084 1.00 0.00 H new HETATM 0 H14 PSO B 1 1.834 2.616 4.958 1.00 0.00 H new