USER MOD reduce.3.24.130724 H: found=0, std=0, add=213, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 214 hydrogens (60 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 THR H1 : B 1 THR N : B 6 PXZ C :(NH2R) USER MOD NoAdj-H: B 1 THR H2 : B 1 THR N : B 6 PXZ C :(NH2R) USER MOD NoAdj-H: B 2 DVA H2 : B 2 DVA N : B 1 THR C :(H bumps) USER MOD NoAdj-H: B 4 SAR H : B 4 SAR N : B 3 PRO C :(H bumps) USER MOD NoAdj-H: B 5 MVA H : B 5 MVA N : B 4 SAR C :(H bumps) USER MOD NoAdj-H: B 6 PXZ H' : B 6 PXZ C' : B 7 THR N :(H bumps) USER MOD NoAdj-H: B 6 PXZ H : B 6 PXZ C : B 1 THR N :(H bumps) USER MOD NoAdj-H: B 8 DVA H2 : B 8 DVA N : B 7 THR C :(H bumps) USER MOD NoAdj-H: B 10 SAR H : B 10 SAR N : B 9 PRO C :(H bumps) USER MOD NoAdj-H: B 11 MVA H : B 11 MVA N : B 10 SAR C :(H bumps) USER MOD Single : A 1 DC O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 THR N :NH3+ -176:sc= -0.111 (180deg=-0.301) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 2.798 -14.261 -4.652 1.00 0.00 O ATOM 2 C5' DC A 1 2.805 -13.914 -3.284 1.00 0.00 C ATOM 3 C4' DC A 1 1.678 -12.918 -2.999 1.00 0.00 C ATOM 4 O4' DC A 1 1.620 -12.573 -1.627 1.00 0.00 O ATOM 5 C3' DC A 1 1.855 -11.596 -3.760 1.00 0.00 C ATOM 6 O3' DC A 1 1.081 -11.606 -4.949 1.00 0.00 O ATOM 7 C2' DC A 1 1.387 -10.547 -2.750 1.00 0.00 C ATOM 8 C1' DC A 1 0.870 -11.378 -1.586 1.00 0.00 C ATOM 9 N1 DC A 1 0.954 -10.643 -0.296 1.00 0.00 N ATOM 10 C2 DC A 1 -0.194 -10.011 0.186 1.00 0.00 C ATOM 11 O2 DC A 1 -1.211 -9.917 -0.498 1.00 0.00 O ATOM 12 N3 DC A 1 -0.164 -9.478 1.439 1.00 0.00 N ATOM 13 C4 DC A 1 0.941 -9.529 2.194 1.00 0.00 C ATOM 14 N4 DC A 1 0.884 -9.037 3.435 1.00 0.00 N ATOM 15 C5 DC A 1 2.155 -10.113 1.692 1.00 0.00 C ATOM 16 C6 DC A 1 2.107 -10.656 0.451 1.00 0.00 C ATOM 0 H5' DC A 1 3.767 -13.477 -3.015 1.00 0.00 H new ATOM 0 H5'' DC A 1 2.678 -14.807 -2.672 1.00 0.00 H new ATOM 0 H4' DC A 1 0.769 -13.427 -3.321 1.00 0.00 H new ATOM 0 H3' DC A 1 2.874 -11.404 -4.095 1.00 0.00 H new ATOM 0 H2' DC A 1 2.203 -9.893 -2.444 1.00 0.00 H new ATOM 0 H2'' DC A 1 0.606 -9.910 -3.166 1.00 0.00 H new ATOM 0 HO5' DC A 1 3.521 -14.897 -4.832 1.00 0.00 H new ATOM 0 H1' DC A 1 -0.194 -11.600 -1.670 1.00 0.00 H new ATOM 0 H41 DC A 1 1.710 -9.063 4.032 1.00 0.00 H new ATOM 0 H42 DC A 1 0.014 -8.636 3.785 1.00 0.00 H new ATOM 0 H5 DC A 1 3.063 -10.119 2.277 1.00 0.00 H new ATOM 0 H6 DC A 1 2.996 -11.110 0.040 1.00 0.00 H new ATOM 29 P DC A 2 1.176 -10.429 -6.059 1.00 0.00 P ATOM 30 OP1 DC A 2 0.526 -10.921 -7.293 1.00 0.00 O ATOM 31 OP2 DC A 2 2.579 -9.961 -6.111 1.00 0.00 O ATOM 32 O5' DC A 2 0.271 -9.232 -5.457 1.00 0.00 O ATOM 33 C5' DC A 2 -1.136 -9.354 -5.347 1.00 0.00 C ATOM 34 C4' DC A 2 -1.747 -8.120 -4.672 1.00 0.00 C ATOM 35 O4' DC A 2 -1.208 -7.899 -3.387 1.00 0.00 O ATOM 36 C3' DC A 2 -1.533 -6.812 -5.441 1.00 0.00 C ATOM 37 O3' DC A 2 -2.672 -6.566 -6.251 1.00 0.00 O ATOM 38 C2' DC A 2 -1.336 -5.768 -4.331 1.00 0.00 C ATOM 39 C1' DC A 2 -1.553 -6.573 -3.046 1.00 0.00 C ATOM 40 N1 DC A 2 -0.744 -6.151 -1.864 1.00 0.00 N ATOM 41 C2 DC A 2 -1.392 -6.042 -0.631 1.00 0.00 C ATOM 42 O2 DC A 2 -2.606 -5.872 -0.566 1.00 0.00 O ATOM 43 N3 DC A 2 -0.653 -6.126 0.512 1.00 0.00 N ATOM 44 C4 DC A 2 0.682 -6.247 0.461 1.00 0.00 C ATOM 45 N4 DC A 2 1.362 -6.387 1.603 1.00 0.00 N ATOM 46 C5 DC A 2 1.383 -6.203 -0.792 1.00 0.00 C ATOM 47 C6 DC A 2 0.630 -6.157 -1.917 1.00 0.00 C ATOM 0 H5' DC A 2 -1.383 -10.246 -4.772 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.571 -9.483 -6.338 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.810 -8.358 -4.636 1.00 0.00 H new ATOM 0 H3' DC A 2 -0.683 -6.811 -6.123 1.00 0.00 H new ATOM 0 H2' DC A 2 -0.340 -5.327 -4.366 1.00 0.00 H new ATOM 0 H2'' DC A 2 -2.050 -4.949 -4.418 1.00 0.00 H new ATOM 0 H1' DC A 2 -2.584 -6.427 -2.725 1.00 0.00 H new ATOM 0 H41 DC A 2 2.378 -6.480 1.584 1.00 0.00 H new ATOM 0 H42 DC A 2 0.865 -6.400 2.494 1.00 0.00 H new ATOM 0 H5 DC A 2 2.462 -6.206 -0.835 1.00 0.00 H new ATOM 0 H6 DC A 2 1.121 -6.124 -2.879 1.00 0.00 H new ATOM 59 P DG A 3 -2.646 -5.531 -7.492 1.00 0.00 P ATOM 60 OP1 DG A 3 -3.869 -5.755 -8.294 1.00 0.00 O ATOM 61 OP2 DG A 3 -1.320 -5.614 -8.143 1.00 0.00 O ATOM 62 O5' DG A 3 -2.764 -4.089 -6.787 1.00 0.00 O ATOM 63 C5' DG A 3 -4.013 -3.538 -6.416 1.00 0.00 C ATOM 64 C4' DG A 3 -3.816 -2.159 -5.770 1.00 0.00 C ATOM 65 O4' DG A 3 -3.197 -2.355 -4.507 1.00 0.00 O ATOM 66 C3' DG A 3 -2.883 -1.280 -6.630 1.00 0.00 C ATOM 67 O3' DG A 3 -3.316 0.071 -6.725 1.00 0.00 O ATOM 68 C2' DG A 3 -1.579 -1.387 -5.847 1.00 0.00 C ATOM 69 C1' DG A 3 -2.097 -1.479 -4.413 1.00 0.00 C ATOM 70 N9 DG A 3 -1.102 -1.974 -3.430 1.00 0.00 N ATOM 71 C8 DG A 3 0.155 -2.489 -3.646 1.00 0.00 C ATOM 72 N7 DG A 3 0.769 -2.879 -2.566 1.00 0.00 N ATOM 73 C5 DG A 3 -0.137 -2.605 -1.552 1.00 0.00 C ATOM 74 C6 DG A 3 -0.018 -2.821 -0.146 1.00 0.00 C ATOM 75 O6 DG A 3 0.935 -3.269 0.486 1.00 0.00 O ATOM 76 N1 DG A 3 -1.168 -2.459 0.536 1.00 0.00 N ATOM 77 C2 DG A 3 -2.279 -1.891 -0.046 1.00 0.00 C ATOM 78 N2 DG A 3 -3.289 -1.641 0.786 1.00 0.00 N ATOM 79 N3 DG A 3 -2.383 -1.628 -1.362 1.00 0.00 N ATOM 80 C4 DG A 3 -1.282 -2.032 -2.063 1.00 0.00 C ATOM 0 H5' DG A 3 -4.520 -4.205 -5.718 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.654 -3.448 -7.293 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.783 -1.664 -5.676 1.00 0.00 H new ATOM 0 H3' DG A 3 -2.827 -1.602 -7.670 1.00 0.00 H new ATOM 0 H2' DG A 3 -1.000 -2.265 -6.132 1.00 0.00 H new ATOM 0 H2'' DG A 3 -0.937 -0.519 -5.997 1.00 0.00 H new ATOM 0 H1' DG A 3 -2.351 -0.489 -4.034 1.00 0.00 H new ATOM 0 H8 DG A 3 0.596 -2.564 -4.629 1.00 0.00 H new ATOM 0 H1 DG A 3 -1.194 -2.625 1.542 1.00 0.00 H new ATOM 0 H21 DG A 3 -4.149 -1.221 0.433 1.00 0.00 H new ATOM 0 H22 DG A 3 -3.203 -1.870 1.776 1.00 0.00 H new ATOM 92 P DT A 4 -2.853 1.002 -7.976 1.00 0.00 P ATOM 93 OP1 DT A 4 -3.784 0.757 -9.099 1.00 0.00 O ATOM 94 OP2 DT A 4 -1.399 0.809 -8.174 1.00 0.00 O ATOM 95 O5' DT A 4 -3.049 2.524 -7.480 1.00 0.00 O ATOM 96 C5' DT A 4 -4.325 3.074 -7.218 1.00 0.00 C ATOM 97 C4' DT A 4 -4.187 4.443 -6.532 1.00 0.00 C ATOM 98 O4' DT A 4 -3.098 4.366 -5.621 1.00 0.00 O ATOM 99 C3' DT A 4 -3.916 5.619 -7.487 1.00 0.00 C ATOM 100 O3' DT A 4 -4.502 6.808 -6.979 1.00 0.00 O ATOM 101 C2' DT A 4 -2.395 5.670 -7.475 1.00 0.00 C ATOM 102 C1' DT A 4 -2.066 5.244 -6.040 1.00 0.00 C ATOM 103 N1 DT A 4 -0.701 4.657 -5.841 1.00 0.00 N ATOM 104 C2 DT A 4 -0.177 4.666 -4.545 1.00 0.00 C ATOM 105 O2 DT A 4 -0.786 5.101 -3.568 1.00 0.00 O ATOM 106 N3 DT A 4 1.097 4.136 -4.387 1.00 0.00 N ATOM 107 C4 DT A 4 1.889 3.590 -5.384 1.00 0.00 C ATOM 108 O4 DT A 4 3.021 3.191 -5.124 1.00 0.00 O ATOM 109 C5 DT A 4 1.247 3.531 -6.680 1.00 0.00 C ATOM 110 C7 DT A 4 1.955 2.875 -7.850 1.00 0.00 C ATOM 111 C6 DT A 4 0.008 4.051 -6.863 1.00 0.00 C ATOM 0 H5' DT A 4 -4.896 2.397 -6.582 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.880 3.181 -8.150 1.00 0.00 H new ATOM 0 H4' DT A 4 -5.145 4.646 -6.053 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.333 5.510 -8.488 1.00 0.00 H new ATOM 0 H2' DT A 4 -1.959 4.993 -8.210 1.00 0.00 H new ATOM 0 H2'' DT A 4 -2.020 6.668 -7.699 1.00 0.00 H new ATOM 0 H1' DT A 4 -2.027 6.139 -5.419 1.00 0.00 H new ATOM 0 H3 DT A 4 1.488 4.150 -3.445 1.00 0.00 H new ATOM 0 H71 DT A 4 1.217 2.447 -8.529 1.00 0.00 H new ATOM 0 H72 DT A 4 2.547 3.620 -8.381 1.00 0.00 H new ATOM 0 H73 DT A 4 2.610 2.085 -7.482 1.00 0.00 H new ATOM 0 H6 DT A 4 -0.442 3.990 -7.843 1.00 0.00 H new ATOM 124 P DT A 5 -4.354 8.245 -7.717 1.00 0.00 P ATOM 125 OP1 DT A 5 -5.661 8.936 -7.646 1.00 0.00 O ATOM 126 OP2 DT A 5 -3.698 8.048 -9.029 1.00 0.00 O ATOM 127 O5' DT A 5 -3.321 9.015 -6.740 1.00 0.00 O ATOM 128 C5' DT A 5 -3.773 9.545 -5.509 1.00 0.00 C ATOM 129 C4' DT A 5 -2.634 9.762 -4.510 1.00 0.00 C ATOM 130 O4' DT A 5 -1.775 8.632 -4.437 1.00 0.00 O ATOM 131 C3' DT A 5 -1.752 11.003 -4.751 1.00 0.00 C ATOM 132 O3' DT A 5 -1.974 11.893 -3.661 1.00 0.00 O ATOM 133 C2' DT A 5 -0.353 10.379 -4.793 1.00 0.00 C ATOM 134 C1' DT A 5 -0.556 9.130 -3.940 1.00 0.00 C ATOM 135 N1 DT A 5 0.557 8.136 -3.974 1.00 0.00 N ATOM 136 C2 DT A 5 0.859 7.465 -2.786 1.00 0.00 C ATOM 137 O2 DT A 5 0.162 7.530 -1.776 1.00 0.00 O ATOM 138 N3 DT A 5 2.007 6.685 -2.792 1.00 0.00 N ATOM 139 C4 DT A 5 2.851 6.485 -3.875 1.00 0.00 C ATOM 140 O4 DT A 5 3.876 5.822 -3.742 1.00 0.00 O ATOM 141 C5 DT A 5 2.397 7.109 -5.105 1.00 0.00 C ATOM 142 C7 DT A 5 3.165 6.890 -6.394 1.00 0.00 C ATOM 143 C6 DT A 5 1.293 7.899 -5.114 1.00 0.00 C ATOM 0 H5' DT A 5 -4.509 8.869 -5.074 1.00 0.00 H new ATOM 0 H5'' DT A 5 -4.279 10.493 -5.690 1.00 0.00 H new ATOM 0 H4' DT A 5 -3.168 9.925 -3.574 1.00 0.00 H new ATOM 0 H3' DT A 5 -1.938 11.593 -5.649 1.00 0.00 H new ATOM 0 H2' DT A 5 -0.042 10.137 -5.809 1.00 0.00 H new ATOM 0 H2'' DT A 5 0.405 11.042 -4.377 1.00 0.00 H new ATOM 0 H1' DT A 5 -0.570 9.359 -2.875 1.00 0.00 H new ATOM 0 H3 DT A 5 2.253 6.216 -1.920 1.00 0.00 H new ATOM 0 H71 DT A 5 2.479 6.941 -7.239 1.00 0.00 H new ATOM 0 H72 DT A 5 3.928 7.662 -6.499 1.00 0.00 H new ATOM 0 H73 DT A 5 3.641 5.910 -6.372 1.00 0.00 H new ATOM 0 H6 DT A 5 0.983 8.355 -6.042 1.00 0.00 H new ATOM 156 P DT A 6 -1.006 13.132 -3.267 1.00 0.00 P ATOM 157 OP1 DT A 6 -1.815 14.133 -2.538 1.00 0.00 O ATOM 158 OP2 DT A 6 -0.232 13.537 -4.462 1.00 0.00 O ATOM 159 O5' DT A 6 0.001 12.438 -2.209 1.00 0.00 O ATOM 160 C5' DT A 6 -0.491 11.861 -1.010 1.00 0.00 C ATOM 161 C4' DT A 6 0.515 10.874 -0.405 1.00 0.00 C ATOM 162 O4' DT A 6 1.254 10.237 -1.436 1.00 0.00 O ATOM 163 C3' DT A 6 1.529 11.461 0.592 1.00 0.00 C ATOM 164 O3' DT A 6 1.468 10.664 1.768 1.00 0.00 O ATOM 165 C2' DT A 6 2.846 11.303 -0.159 1.00 0.00 C ATOM 166 C1' DT A 6 2.574 10.044 -0.977 1.00 0.00 C ATOM 167 N1 DT A 6 3.514 9.890 -2.121 1.00 0.00 N ATOM 168 C2 DT A 6 4.320 8.752 -2.191 1.00 0.00 C ATOM 169 O2 DT A 6 4.304 7.859 -1.351 1.00 0.00 O ATOM 170 N3 DT A 6 5.149 8.646 -3.299 1.00 0.00 N ATOM 171 C4 DT A 6 5.225 9.550 -4.349 1.00 0.00 C ATOM 172 O4 DT A 6 5.990 9.340 -5.286 1.00 0.00 O ATOM 173 C5 DT A 6 4.344 10.696 -4.213 1.00 0.00 C ATOM 174 C7 DT A 6 4.319 11.757 -5.296 1.00 0.00 C ATOM 175 C6 DT A 6 3.542 10.828 -3.127 1.00 0.00 C ATOM 0 H5' DT A 6 -1.430 11.346 -1.212 1.00 0.00 H new ATOM 0 H5'' DT A 6 -0.708 12.649 -0.289 1.00 0.00 H new ATOM 0 H4' DT A 6 -0.112 10.184 0.161 1.00 0.00 H new ATOM 0 H3' DT A 6 1.369 12.494 0.902 1.00 0.00 H new ATOM 0 H2' DT A 6 3.065 12.164 -0.790 1.00 0.00 H new ATOM 0 H2'' DT A 6 3.692 11.179 0.517 1.00 0.00 H new ATOM 0 H1' DT A 6 2.707 9.137 -0.388 1.00 0.00 H new ATOM 0 H3 DT A 6 5.758 7.829 -3.346 1.00 0.00 H new ATOM 0 H71 DT A 6 3.328 12.208 -5.341 1.00 0.00 H new ATOM 0 H72 DT A 6 5.057 12.526 -5.069 1.00 0.00 H new ATOM 0 H73 DT A 6 4.554 11.301 -6.258 1.00 0.00 H new ATOM 0 H6 DT A 6 2.905 11.697 -3.050 1.00 0.00 H new ATOM 188 P DT A 7 2.437 10.881 3.048 1.00 0.00 P ATOM 189 OP1 DT A 7 1.671 10.538 4.267 1.00 0.00 O ATOM 190 OP2 DT A 7 3.081 12.209 2.935 1.00 0.00 O ATOM 191 O5' DT A 7 3.569 9.747 2.835 1.00 0.00 O ATOM 192 C5' DT A 7 3.238 8.371 2.887 1.00 0.00 C ATOM 193 C4' DT A 7 4.429 7.498 2.484 1.00 0.00 C ATOM 194 O4' DT A 7 4.998 7.977 1.284 1.00 0.00 O ATOM 195 C3' DT A 7 5.573 7.418 3.511 1.00 0.00 C ATOM 196 O3' DT A 7 5.736 6.055 3.856 1.00 0.00 O ATOM 197 C2' DT A 7 6.802 7.871 2.715 1.00 0.00 C ATOM 198 C1' DT A 7 6.344 7.562 1.287 1.00 0.00 C ATOM 199 N1 DT A 7 7.121 8.212 0.190 1.00 0.00 N ATOM 200 C2 DT A 7 7.912 7.398 -0.625 1.00 0.00 C ATOM 201 O2 DT A 7 8.163 6.223 -0.364 1.00 0.00 O ATOM 202 N3 DT A 7 8.421 7.980 -1.779 1.00 0.00 N ATOM 203 C4 DT A 7 8.220 9.290 -2.189 1.00 0.00 C ATOM 204 O4 DT A 7 8.706 9.687 -3.245 1.00 0.00 O ATOM 205 C5 DT A 7 7.416 10.083 -1.277 1.00 0.00 C ATOM 206 C7 DT A 7 7.110 11.532 -1.605 1.00 0.00 C ATOM 207 C6 DT A 7 6.912 9.533 -0.143 1.00 0.00 C ATOM 0 H5' DT A 7 2.397 8.172 2.223 1.00 0.00 H new ATOM 0 H5'' DT A 7 2.917 8.110 3.895 1.00 0.00 H new ATOM 0 H4' DT A 7 4.001 6.500 2.390 1.00 0.00 H new ATOM 0 H3' DT A 7 5.407 8.007 4.413 1.00 0.00 H new ATOM 0 H2' DT A 7 7.022 8.929 2.859 1.00 0.00 H new ATOM 0 H2'' DT A 7 7.700 7.318 2.990 1.00 0.00 H new ATOM 0 H1' DT A 7 6.498 6.506 1.065 1.00 0.00 H new ATOM 0 H3 DT A 7 8.996 7.390 -2.380 1.00 0.00 H new ATOM 0 H71 DT A 7 6.146 11.806 -1.177 1.00 0.00 H new ATOM 0 H72 DT A 7 7.888 12.172 -1.187 1.00 0.00 H new ATOM 0 H73 DT A 7 7.076 11.661 -2.687 1.00 0.00 H new ATOM 0 H6 DT A 7 6.327 10.152 0.521 1.00 0.00 H new ATOM 220 P DG A 8 6.244 5.542 5.300 1.00 0.00 P ATOM 221 OP1 DG A 8 6.355 6.684 6.236 1.00 0.00 O ATOM 222 OP2 DG A 8 7.396 4.637 5.089 1.00 0.00 O ATOM 223 O5' DG A 8 4.957 4.651 5.685 1.00 0.00 O ATOM 224 C5' DG A 8 3.858 5.152 6.428 1.00 0.00 C ATOM 225 C4' DG A 8 2.563 4.633 5.797 1.00 0.00 C ATOM 226 O4' DG A 8 2.618 4.635 4.388 1.00 0.00 O ATOM 227 C3' DG A 8 2.146 3.235 6.264 1.00 0.00 C ATOM 228 O3' DG A 8 1.210 3.361 7.326 1.00 0.00 O ATOM 229 C2' DG A 8 1.547 2.646 4.984 1.00 0.00 C ATOM 230 C1' DG A 8 1.620 3.753 3.931 1.00 0.00 C ATOM 231 N9 DG A 8 2.005 3.313 2.570 1.00 0.00 N ATOM 232 C8 DG A 8 3.214 2.792 2.187 1.00 0.00 C ATOM 233 N7 DG A 8 3.409 2.769 0.900 1.00 0.00 N ATOM 234 C5 DG A 8 2.249 3.327 0.378 1.00 0.00 C ATOM 235 C6 DG A 8 1.918 3.637 -0.976 1.00 0.00 C ATOM 236 O6 DG A 8 2.582 3.435 -1.988 1.00 0.00 O ATOM 237 N1 DG A 8 0.680 4.260 -1.091 1.00 0.00 N ATOM 238 C2 DG A 8 -0.153 4.535 -0.028 1.00 0.00 C ATOM 239 N2 DG A 8 -1.283 5.175 -0.331 1.00 0.00 N ATOM 240 N3 DG A 8 0.140 4.225 1.249 1.00 0.00 N ATOM 241 C4 DG A 8 1.366 3.642 1.389 1.00 0.00 C ATOM 0 H5' DG A 8 3.868 6.242 6.429 1.00 0.00 H new ATOM 0 H5'' DG A 8 3.927 4.832 7.468 1.00 0.00 H new ATOM 0 H4' DG A 8 1.808 5.338 6.145 1.00 0.00 H new ATOM 0 H3' DG A 8 2.940 2.605 6.666 1.00 0.00 H new ATOM 0 H2' DG A 8 2.104 1.766 4.663 1.00 0.00 H new ATOM 0 H2'' DG A 8 0.516 2.330 5.146 1.00 0.00 H new ATOM 0 H1' DG A 8 0.622 4.180 3.829 1.00 0.00 H new ATOM 0 H8 DG A 8 3.945 2.430 2.895 1.00 0.00 H new ATOM 0 H1 DG A 8 0.368 4.531 -2.023 1.00 0.00 H new ATOM 0 H21 DG A 8 -1.948 5.412 0.405 1.00 0.00 H new ATOM 0 H22 DG A 8 -1.482 5.428 -1.299 1.00 0.00 H new ATOM 253 P DT A 9 1.132 2.316 8.563 1.00 0.00 P ATOM 254 OP1 DT A 9 0.439 2.997 9.680 1.00 0.00 O ATOM 255 OP2 DT A 9 2.476 1.738 8.787 1.00 0.00 O ATOM 256 O5' DT A 9 0.169 1.142 8.024 1.00 0.00 O ATOM 257 C5' DT A 9 -1.228 1.337 7.913 1.00 0.00 C ATOM 258 C4' DT A 9 -1.901 0.068 7.388 1.00 0.00 C ATOM 259 O4' DT A 9 -1.302 -0.355 6.185 1.00 0.00 O ATOM 260 C3' DT A 9 -1.780 -1.135 8.322 1.00 0.00 C ATOM 261 O3' DT A 9 -2.732 -1.043 9.369 1.00 0.00 O ATOM 262 C2' DT A 9 -2.035 -2.283 7.344 1.00 0.00 C ATOM 263 C1' DT A 9 -1.673 -1.703 5.972 1.00 0.00 C ATOM 264 N1 DT A 9 -0.556 -2.427 5.307 1.00 0.00 N ATOM 265 C2 DT A 9 -0.718 -2.823 3.978 1.00 0.00 C ATOM 266 O2 DT A 9 -1.762 -2.667 3.347 1.00 0.00 O ATOM 267 N3 DT A 9 0.391 -3.393 3.364 1.00 0.00 N ATOM 268 C4 DT A 9 1.620 -3.626 3.963 1.00 0.00 C ATOM 269 O4 DT A 9 2.522 -4.167 3.327 1.00 0.00 O ATOM 270 C5 DT A 9 1.719 -3.154 5.333 1.00 0.00 C ATOM 271 C7 DT A 9 3.030 -3.299 6.082 1.00 0.00 C ATOM 272 C6 DT A 9 0.655 -2.576 5.946 1.00 0.00 C ATOM 0 H5' DT A 9 -1.433 2.170 7.241 1.00 0.00 H new ATOM 0 H5'' DT A 9 -1.644 1.602 8.885 1.00 0.00 H new ATOM 0 H4' DT A 9 -2.947 0.354 7.276 1.00 0.00 H new ATOM 0 H3' DT A 9 -0.833 -1.240 8.851 1.00 0.00 H new ATOM 0 H2' DT A 9 -1.421 -3.152 7.582 1.00 0.00 H new ATOM 0 H2'' DT A 9 -3.075 -2.609 7.376 1.00 0.00 H new ATOM 0 H1' DT A 9 -2.533 -1.801 5.309 1.00 0.00 H new ATOM 0 H3 DT A 9 0.292 -3.664 2.386 1.00 0.00 H new ATOM 0 H71 DT A 9 3.126 -2.491 6.808 1.00 0.00 H new ATOM 0 H72 DT A 9 3.048 -4.257 6.601 1.00 0.00 H new ATOM 0 H73 DT A 9 3.859 -3.253 5.376 1.00 0.00 H new ATOM 0 H6 DT A 9 0.761 -2.224 6.961 1.00 0.00 H new ATOM 285 P DG A 10 -3.077 -2.278 10.357 1.00 0.00 P ATOM 286 OP1 DG A 10 -3.674 -1.729 11.594 1.00 0.00 O ATOM 287 OP2 DG A 10 -1.894 -3.165 10.439 1.00 0.00 O ATOM 288 O5' DG A 10 -4.235 -3.052 9.543 1.00 0.00 O ATOM 289 C5' DG A 10 -5.463 -2.417 9.235 1.00 0.00 C ATOM 290 C4' DG A 10 -6.262 -3.218 8.200 1.00 0.00 C ATOM 291 O4' DG A 10 -5.412 -3.545 7.110 1.00 0.00 O ATOM 292 C3' DG A 10 -6.847 -4.528 8.738 1.00 0.00 C ATOM 293 O3' DG A 10 -8.066 -4.757 8.050 1.00 0.00 O ATOM 294 C2' DG A 10 -5.750 -5.517 8.356 1.00 0.00 C ATOM 295 C1' DG A 10 -5.297 -4.952 7.010 1.00 0.00 C ATOM 296 N9 DG A 10 -3.918 -5.347 6.624 1.00 0.00 N ATOM 297 C8 DG A 10 -2.841 -5.672 7.416 1.00 0.00 C ATOM 298 N7 DG A 10 -1.753 -5.955 6.756 1.00 0.00 N ATOM 299 C5 DG A 10 -2.123 -5.812 5.426 1.00 0.00 C ATOM 300 C6 DG A 10 -1.360 -6.007 4.235 1.00 0.00 C ATOM 301 O6 DG A 10 -0.188 -6.361 4.136 1.00 0.00 O ATOM 302 N1 DG A 10 -2.096 -5.746 3.083 1.00 0.00 N ATOM 303 C2 DG A 10 -3.424 -5.361 3.081 1.00 0.00 C ATOM 304 N2 DG A 10 -4.010 -5.198 1.894 1.00 0.00 N ATOM 305 N3 DG A 10 -4.149 -5.198 4.197 1.00 0.00 N ATOM 306 C4 DG A 10 -3.443 -5.432 5.335 1.00 0.00 C ATOM 0 H5' DG A 10 -5.270 -1.415 8.852 1.00 0.00 H new ATOM 0 H5'' DG A 10 -6.054 -2.303 10.144 1.00 0.00 H new ATOM 0 H4' DG A 10 -7.097 -2.581 7.907 1.00 0.00 H new ATOM 0 H3' DG A 10 -7.083 -4.572 9.801 1.00 0.00 H new ATOM 0 H2' DG A 10 -4.942 -5.537 9.087 1.00 0.00 H new ATOM 0 H2'' DG A 10 -6.127 -6.536 8.269 1.00 0.00 H new ATOM 0 H1' DG A 10 -5.926 -5.362 6.220 1.00 0.00 H new ATOM 0 H8 DG A 10 -2.893 -5.691 8.495 1.00 0.00 H new ATOM 0 H1 DG A 10 -1.626 -5.845 2.183 1.00 0.00 H new ATOM 0 H21 DG A 10 -4.989 -4.915 1.843 1.00 0.00 H new ATOM 0 H22 DG A 10 -3.480 -5.357 1.037 1.00 0.00 H new ATOM 318 P DG A 11 -9.028 -6.023 8.339 1.00 0.00 P ATOM 319 OP1 DG A 11 -10.385 -5.516 8.645 1.00 0.00 O ATOM 320 OP2 DG A 11 -8.356 -6.945 9.282 1.00 0.00 O ATOM 321 O5' DG A 11 -9.056 -6.715 6.884 1.00 0.00 O ATOM 322 C5' DG A 11 -9.874 -6.201 5.849 1.00 0.00 C ATOM 323 C4' DG A 11 -9.536 -6.859 4.509 1.00 0.00 C ATOM 324 O4' DG A 11 -8.224 -6.524 4.098 1.00 0.00 O ATOM 325 C3' DG A 11 -9.582 -8.386 4.535 1.00 0.00 C ATOM 326 O3' DG A 11 -10.900 -8.879 4.421 1.00 0.00 O ATOM 327 C2' DG A 11 -8.759 -8.704 3.296 1.00 0.00 C ATOM 328 C1' DG A 11 -7.733 -7.566 3.271 1.00 0.00 C ATOM 329 N9 DG A 11 -6.421 -8.011 3.792 1.00 0.00 N ATOM 330 C8 DG A 11 -6.043 -8.234 5.092 1.00 0.00 C ATOM 331 N7 DG A 11 -4.785 -8.543 5.238 1.00 0.00 N ATOM 332 C5 DG A 11 -4.290 -8.546 3.938 1.00 0.00 C ATOM 333 C6 DG A 11 -2.974 -8.818 3.454 1.00 0.00 C ATOM 334 O6 DG A 11 -1.960 -9.066 4.104 1.00 0.00 O ATOM 335 N1 DG A 11 -2.904 -8.768 2.064 1.00 0.00 N ATOM 336 C2 DG A 11 -3.968 -8.476 1.232 1.00 0.00 C ATOM 337 N2 DG A 11 -3.744 -8.523 -0.085 1.00 0.00 N ATOM 338 N3 DG A 11 -5.197 -8.185 1.688 1.00 0.00 N ATOM 339 C4 DG A 11 -5.291 -8.238 3.045 1.00 0.00 C ATOM 0 H5' DG A 11 -9.738 -5.122 5.774 1.00 0.00 H new ATOM 0 H5'' DG A 11 -10.923 -6.374 6.089 1.00 0.00 H new ATOM 0 H4' DG A 11 -10.300 -6.483 3.829 1.00 0.00 H new ATOM 0 H3' DG A 11 -9.215 -8.833 5.459 1.00 0.00 H new ATOM 0 H2' DG A 11 -8.279 -9.680 3.368 1.00 0.00 H new ATOM 0 H2'' DG A 11 -9.372 -8.716 2.395 1.00 0.00 H new ATOM 0 HO3' DG A 11 -10.886 -9.859 4.440 1.00 0.00 H new ATOM 0 H1' DG A 11 -7.593 -7.233 2.243 1.00 0.00 H new ATOM 0 H8 DG A 11 -6.729 -8.160 5.923 1.00 0.00 H new ATOM 0 H1 DG A 11 -2.002 -8.961 1.629 1.00 0.00 H new ATOM 0 H21 DG A 11 -4.499 -8.315 -0.738 1.00 0.00 H new ATOM 0 H22 DG A 11 -2.818 -8.767 -0.436 1.00 0.00 H new TER 352 DG A 11 ATOM 353 N THR B 1 -3.470 1.294 -1.625 1.00 0.00 N ATOM 354 CA THR B 1 -4.887 1.627 -1.472 1.00 0.00 C ATOM 355 C THR B 1 -5.411 1.264 -0.081 1.00 0.00 C ATOM 356 O THR B 1 -4.697 0.676 0.722 1.00 0.00 O ATOM 357 CB THR B 1 -5.717 0.904 -2.548 1.00 0.00 C ATOM 358 OG1 THR B 1 -5.573 -0.502 -2.360 1.00 0.00 O ATOM 359 CG2 THR B 1 -5.294 1.295 -3.970 1.00 0.00 C ATOM 0 H3 THR B 1 -3.136 1.617 -2.556 1.00 0.00 H new ATOM 0 HA THR B 1 -4.987 2.706 -1.594 1.00 0.00 H new ATOM 0 HB THR B 1 -6.760 1.202 -2.439 1.00 0.00 H new ATOM 0 HG21 THR B 1 -5.909 0.759 -4.693 1.00 0.00 H new ATOM 0 HG22 THR B 1 -5.426 2.368 -4.107 1.00 0.00 H new ATOM 0 HG23 THR B 1 -4.246 1.036 -4.122 1.00 0.00 H new HETATM 366 N DVA B 2 -6.681 1.598 0.180 1.00 0.00 N HETATM 367 CA DVA B 2 -7.523 1.016 1.217 1.00 0.00 C HETATM 368 CB DVA B 2 -8.954 1.579 1.089 1.00 0.00 C HETATM 369 CG1 DVA B 2 -9.900 0.946 2.118 1.00 0.00 C HETATM 370 CG2 DVA B 2 -9.542 1.322 -0.308 1.00 0.00 C HETATM 371 C DVA B 2 -6.943 1.246 2.622 1.00 0.00 C HETATM 372 O DVA B 2 -6.969 2.379 3.100 1.00 0.00 O HETATM 0 HG23 DVA B 2 -8.916 1.802 -1.060 1.00 0.00 H new HETATM 0 HG22 DVA B 2 -9.577 0.249 -0.496 1.00 0.00 H new HETATM 0 HG21 DVA B 2 -10.550 1.733 -0.360 1.00 0.00 H new HETATM 0 HG13 DVA B 2 -9.938 -0.132 1.962 1.00 0.00 H new HETATM 0 HG12 DVA B 2 -9.536 1.155 3.124 1.00 0.00 H new HETATM 0 HG11 DVA B 2 -10.899 1.365 2.000 1.00 0.00 H new HETATM 0 HB DVA B 2 -8.873 2.652 1.265 1.00 0.00 H new HETATM 0 HA DVA B 2 -7.556 -0.064 1.076 1.00 0.00 H new HETATM 0 H DVA B 2 -7.075 2.267 -0.481 1.00 0.00 H new ATOM 382 N PRO B 3 -6.436 0.206 3.310 1.00 0.00 N ATOM 383 CA PRO B 3 -6.281 -1.172 2.849 1.00 0.00 C ATOM 384 C PRO B 3 -7.621 -1.922 2.840 1.00 0.00 C ATOM 385 O PRO B 3 -8.499 -1.577 3.631 1.00 0.00 O ATOM 386 CB PRO B 3 -5.318 -1.811 3.852 1.00 0.00 C ATOM 387 CG PRO B 3 -5.637 -1.069 5.148 1.00 0.00 C ATOM 388 CD PRO B 3 -5.903 0.350 4.654 1.00 0.00 C ATOM 0 HA PRO B 3 -5.910 -1.211 1.825 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -5.487 -2.884 3.948 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -4.278 -1.678 3.555 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -6.504 -1.492 5.656 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -4.806 -1.105 5.852 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.612 0.864 5.303 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -4.987 0.941 4.651 1.00 0.00 H new HETATM 396 N SAR B 4 -7.812 -2.940 1.975 1.00 0.00 N HETATM 397 CA SAR B 4 -6.825 -3.423 1.002 1.00 0.00 C HETATM 398 C SAR B 4 -7.051 -2.819 -0.394 1.00 0.00 C HETATM 399 O SAR B 4 -7.948 -1.991 -0.544 1.00 0.00 O HETATM 400 CN SAR B 4 -9.100 -3.628 1.965 1.00 0.00 C HETATM 0 HN3 SAR B 4 -9.562 -3.522 0.983 1.00 0.00 H new HETATM 0 HN2 SAR B 4 -8.949 -4.685 2.182 1.00 0.00 H new HETATM 0 HN1 SAR B 4 -9.752 -3.191 2.722 1.00 0.00 H new HETATM 0 HA3 SAR B 4 -5.822 -3.172 1.348 1.00 0.00 H new HETATM 0 HA2 SAR B 4 -6.878 -4.510 0.940 1.00 0.00 H new HETATM 406 N MVA B 5 -6.268 -3.238 -1.415 1.00 0.00 N HETATM 407 CN MVA B 5 -5.218 -4.235 -1.204 1.00 0.00 C HETATM 408 CA MVA B 5 -6.425 -2.754 -2.800 1.00 0.00 C HETATM 409 CB MVA B 5 -7.453 -3.615 -3.575 1.00 0.00 C HETATM 410 CG1 MVA B 5 -8.865 -3.614 -2.985 1.00 0.00 C HETATM 411 CG2 MVA B 5 -7.549 -3.264 -5.066 1.00 0.00 C HETATM 412 C MVA B 5 -6.616 -1.231 -2.876 1.00 0.00 C HETATM 413 O MVA B 5 -7.647 -0.765 -3.360 1.00 0.00 O HETATM 0 HG23 MVA B 5 -7.849 -2.222 -5.176 1.00 0.00 H new HETATM 0 HG22 MVA B 5 -6.578 -3.414 -5.538 1.00 0.00 H new HETATM 0 HG21 MVA B 5 -8.288 -3.907 -5.544 1.00 0.00 H new HETATM 0 HG13 MVA B 5 -8.834 -4.002 -1.967 1.00 0.00 H new HETATM 0 HG12 MVA B 5 -9.254 -2.596 -2.973 1.00 0.00 H new HETATM 0 HG11 MVA B 5 -9.514 -4.243 -3.594 1.00 0.00 H new HETATM 0 HN3 MVA B 5 -5.425 -5.115 -1.812 1.00 0.00 H new HETATM 0 HN2 MVA B 5 -4.254 -3.814 -1.490 1.00 0.00 H new HETATM 0 HN1 MVA B 5 -5.192 -4.519 -0.152 1.00 0.00 H new HETATM 0 HB MVA B 5 -7.042 -4.619 -3.466 1.00 0.00 H new HETATM 0 HA MVA B 5 -5.487 -2.901 -3.335 1.00 0.00 H new HETATM 425 C1 PXZ B 6 -1.309 1.616 -2.573 1.00 0.00 C HETATM 426 C PXZ B 6 -2.612 2.077 -2.296 1.00 0.00 C HETATM 427 O PXZ B 6 -2.952 3.174 -2.741 1.00 0.00 O HETATM 428 C2 PXZ B 6 -0.846 1.563 -3.907 1.00 0.00 C HETATM 429 N2 PXZ B 6 -1.621 1.957 -4.927 1.00 0.00 N HETATM 430 C3 PXZ B 6 0.429 1.054 -4.198 1.00 0.00 C HETATM 431 O3 PXZ B 6 0.868 0.970 -5.556 1.00 0.00 O HETATM 432 C4 PXZ B 6 1.280 0.639 -3.166 1.00 0.00 C HETATM 433 O5 PXZ B 6 1.626 0.207 -0.859 1.00 0.00 O HETATM 434 C6 PXZ B 6 1.980 -0.376 1.410 1.00 0.00 C HETATM 435 C7 PXZ B 6 1.506 -0.433 2.727 1.00 0.00 C HETATM 436 C8 PXZ B 6 0.230 0.057 3.035 1.00 0.00 C HETATM 437 C9 PXZ B 6 -0.562 0.695 2.063 1.00 0.00 C HETATM 438 C' PXZ B 6 -1.816 1.220 2.449 1.00 0.00 C HETATM 439 O' PXZ B 6 -2.509 0.535 3.202 1.00 0.00 O HETATM 440 N10 PXZ B 6 -0.874 1.205 -0.256 1.00 0.00 N HETATM 441 C11 PXZ B 6 -0.465 1.166 -1.536 1.00 0.00 C HETATM 442 C12 PXZ B 6 0.823 0.668 -1.837 1.00 0.00 C HETATM 443 C13 PXZ B 6 1.176 0.199 0.410 1.00 0.00 C HETATM 444 C14 PXZ B 6 -0.097 0.732 0.731 1.00 0.00 C HETATM 445 C15 PXZ B 6 2.683 0.160 -3.492 1.00 0.00 C HETATM 446 C16 PXZ B 6 3.339 -0.962 1.071 1.00 0.00 C HETATM 0 HN22 PXZ B 6 -1.268 1.911 -5.883 1.00 0.00 H new HETATM 0 HN21 PXZ B 6 -2.564 2.303 -4.747 1.00 0.00 H new HETATM 0 H163 PXZ B 6 4.109 -0.455 1.652 1.00 0.00 H new HETATM 0 H162 PXZ B 6 3.346 -2.026 1.309 1.00 0.00 H new HETATM 0 H161 PXZ B 6 3.538 -0.827 0.008 1.00 0.00 H new HETATM 0 H153 PXZ B 6 2.628 -0.704 -4.154 1.00 0.00 H new HETATM 0 H152 PXZ B 6 3.235 0.960 -3.985 1.00 0.00 H new HETATM 0 H151 PXZ B 6 3.195 -0.120 -2.571 1.00 0.00 H new HETATM 0 H8 PXZ B 6 -0.157 -0.058 4.048 1.00 0.00 H new HETATM 0 H7 PXZ B 6 2.130 -0.859 3.513 1.00 0.00 H new ATOM 457 N THR B 7 -2.215 2.445 2.060 1.00 0.00 N ATOM 458 CA THR B 7 -3.476 3.050 2.511 1.00 0.00 C ATOM 459 C THR B 7 -4.193 3.826 1.405 1.00 0.00 C ATOM 460 O THR B 7 -3.647 4.029 0.326 1.00 0.00 O ATOM 461 CB THR B 7 -3.272 3.976 3.729 1.00 0.00 C ATOM 462 OG1 THR B 7 -2.597 5.181 3.349 1.00 0.00 O ATOM 463 CG2 THR B 7 -2.512 3.293 4.869 1.00 0.00 C ATOM 0 HA THR B 7 -4.106 2.210 2.802 1.00 0.00 H new ATOM 0 HB THR B 7 -4.268 4.220 4.098 1.00 0.00 H new ATOM 0 HG21 THR B 7 -2.397 3.990 5.699 1.00 0.00 H new ATOM 0 HG22 THR B 7 -3.069 2.418 5.204 1.00 0.00 H new ATOM 0 HG23 THR B 7 -1.528 2.984 4.516 1.00 0.00 H new HETATM 470 N DVA B 8 -5.414 4.283 1.712 1.00 0.00 N HETATM 471 CA DVA B 8 -6.126 5.366 1.044 1.00 0.00 C HETATM 472 CB DVA B 8 -7.443 5.659 1.792 1.00 0.00 C HETATM 473 CG1 DVA B 8 -8.189 6.839 1.152 1.00 0.00 C HETATM 474 CG2 DVA B 8 -7.188 6.008 3.267 1.00 0.00 C HETATM 475 C DVA B 8 -6.369 5.055 -0.441 1.00 0.00 C HETATM 476 O DVA B 8 -7.208 4.211 -0.750 1.00 0.00 O HETATM 0 HG23 DVA B 8 -6.692 5.171 3.758 1.00 0.00 H new HETATM 0 HG22 DVA B 8 -6.554 6.892 3.327 1.00 0.00 H new HETATM 0 HG21 DVA B 8 -8.138 6.208 3.763 1.00 0.00 H new HETATM 0 HG13 DVA B 8 -7.561 7.729 1.189 1.00 0.00 H new HETATM 0 HG12 DVA B 8 -8.422 6.602 0.114 1.00 0.00 H new HETATM 0 HG11 DVA B 8 -9.114 7.024 1.699 1.00 0.00 H new HETATM 0 HB DVA B 8 -8.044 4.752 1.727 1.00 0.00 H new HETATM 0 HA DVA B 8 -5.505 6.262 1.072 1.00 0.00 H new HETATM 0 H DVA B 8 -5.812 3.848 2.545 1.00 0.00 H new ATOM 486 N PRO B 9 -5.668 5.725 -1.372 1.00 0.00 N ATOM 487 CA PRO B 9 -4.613 6.706 -1.142 1.00 0.00 C ATOM 488 C PRO B 9 -5.192 8.099 -0.840 1.00 0.00 C ATOM 489 O PRO B 9 -6.345 8.357 -1.183 1.00 0.00 O ATOM 490 CB PRO B 9 -3.839 6.741 -2.457 1.00 0.00 C ATOM 491 CG PRO B 9 -4.953 6.543 -3.478 1.00 0.00 C ATOM 492 CD PRO B 9 -5.833 5.499 -2.798 1.00 0.00 C ATOM 0 HA PRO B 9 -3.996 6.439 -0.284 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -3.317 7.687 -2.599 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -3.089 5.952 -2.511 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -5.496 7.468 -3.673 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -4.570 6.191 -4.436 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -6.876 5.610 -3.095 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -5.529 4.489 -3.074 1.00 0.00 H new HETATM 500 N SAR B 10 -4.415 9.013 -0.226 1.00 0.00 N HETATM 501 CA SAR B 10 -3.086 8.723 0.320 1.00 0.00 C HETATM 502 C SAR B 10 -3.203 8.219 1.765 1.00 0.00 C HETATM 503 O SAR B 10 -4.314 8.166 2.291 1.00 0.00 O HETATM 504 CN SAR B 10 -4.934 10.357 0.016 1.00 0.00 C HETATM 0 HN3 SAR B 10 -5.006 10.531 1.090 1.00 0.00 H new HETATM 0 HN2 SAR B 10 -4.261 11.092 -0.426 1.00 0.00 H new HETATM 0 HN1 SAR B 10 -5.922 10.452 -0.434 1.00 0.00 H new HETATM 0 HA3 SAR B 10 -2.588 7.973 -0.295 1.00 0.00 H new HETATM 0 HA2 SAR B 10 -2.469 9.621 0.290 1.00 0.00 H new HETATM 510 N MVA B 11 -2.087 7.880 2.441 1.00 0.00 N HETATM 511 CN MVA B 11 -0.742 7.854 1.865 1.00 0.00 C HETATM 512 CA MVA B 11 -2.140 7.559 3.872 1.00 0.00 C HETATM 513 CB MVA B 11 -2.605 8.764 4.727 1.00 0.00 C HETATM 514 CG1 MVA B 11 -2.170 8.564 6.189 1.00 0.00 C HETATM 515 CG2 MVA B 11 -1.996 10.092 4.252 1.00 0.00 C HETATM 516 C MVA B 11 -2.955 6.274 4.111 1.00 0.00 C HETATM 517 O MVA B 11 -3.872 6.302 4.932 1.00 0.00 O HETATM 0 HG23 MVA B 11 -0.909 10.037 4.314 1.00 0.00 H new HETATM 0 HG22 MVA B 11 -2.292 10.279 3.220 1.00 0.00 H new HETATM 0 HG21 MVA B 11 -2.354 10.904 4.885 1.00 0.00 H new HETATM 0 HG13 MVA B 11 -2.618 7.651 6.580 1.00 0.00 H new HETATM 0 HG12 MVA B 11 -1.084 8.485 6.238 1.00 0.00 H new HETATM 0 HG11 MVA B 11 -2.499 9.414 6.786 1.00 0.00 H new HETATM 0 HN3 MVA B 11 -0.113 8.582 2.377 1.00 0.00 H new HETATM 0 HN2 MVA B 11 -0.315 6.858 1.983 1.00 0.00 H new HETATM 0 HN1 MVA B 11 -0.795 8.103 0.805 1.00 0.00 H new HETATM 0 HB MVA B 11 -3.689 8.812 4.628 1.00 0.00 H new HETATM 0 HA MVA B 11 -1.126 7.351 4.214 1.00 0.00 H new TER 529 MVA B 11