USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 278 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.493 (180deg=-0.59) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -48:sc= 0.0507 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.115 18.771 -0.184 1.00 0.00 N ATOM 2 CA MET A 1 -14.861 19.326 -0.756 1.00 0.00 C ATOM 3 C MET A 1 -13.846 18.222 -1.036 1.00 0.00 C ATOM 4 O MET A 1 -12.638 18.440 -0.950 1.00 0.00 O ATOM 5 CB MET A 1 -14.279 20.338 0.233 1.00 0.00 C ATOM 6 CG MET A 1 -14.219 19.826 1.663 1.00 0.00 C ATOM 7 SD MET A 1 -15.667 20.293 2.630 1.00 0.00 S ATOM 8 CE MET A 1 -15.440 19.281 4.090 1.00 0.00 C ATOM 0 H1 MET A 1 -16.408 19.345 0.632 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.863 18.788 -0.906 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.952 17.791 0.123 1.00 0.00 H new ATOM 0 HA MET A 1 -15.087 19.813 -1.704 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.274 20.611 -0.089 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.880 21.247 0.206 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.129 18.740 1.652 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.323 20.215 2.147 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.259 19.458 4.787 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.427 18.229 3.805 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.495 19.539 4.568 1.00 0.00 H new ATOM 20 N LYS A 2 -14.346 17.038 -1.374 1.00 0.00 N ATOM 21 CA LYS A 2 -13.481 15.899 -1.669 1.00 0.00 C ATOM 22 C LYS A 2 -13.544 15.514 -3.133 1.00 0.00 C ATOM 23 O LYS A 2 -13.102 14.426 -3.500 1.00 0.00 O ATOM 24 CB LYS A 2 -13.861 14.687 -0.827 1.00 0.00 C ATOM 25 CG LYS A 2 -15.364 14.494 -0.677 1.00 0.00 C ATOM 26 CD LYS A 2 -16.024 14.138 -2.001 1.00 0.00 C ATOM 27 CE LYS A 2 -15.410 12.892 -2.614 1.00 0.00 C ATOM 28 NZ LYS A 2 -15.923 12.637 -3.988 1.00 0.00 N ATOM 0 H LYS A 2 -15.344 16.841 -1.451 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.465 16.209 -1.425 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.432 13.793 -1.279 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.416 14.789 0.163 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.558 13.705 0.049 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.810 15.407 -0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -17.091 13.980 -1.845 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.923 14.973 -2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.326 13.000 -2.646 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.626 12.032 -1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.479 11.778 -4.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.954 12.508 -3.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.694 13.446 -4.600 1.00 0.00 H new ATOM 42 N ASP A 3 -14.098 16.395 -3.966 1.00 0.00 N ATOM 43 CA ASP A 3 -14.220 16.127 -5.397 1.00 0.00 C ATOM 44 C ASP A 3 -13.172 15.114 -5.841 1.00 0.00 C ATOM 45 O ASP A 3 -13.491 14.100 -6.462 1.00 0.00 O ATOM 46 CB ASP A 3 -14.071 17.422 -6.197 1.00 0.00 C ATOM 47 CG ASP A 3 -14.276 17.210 -7.684 1.00 0.00 C ATOM 48 OD1 ASP A 3 -13.586 16.343 -8.261 1.00 0.00 O ATOM 49 OD2 ASP A 3 -15.126 17.911 -8.272 1.00 0.00 O ATOM 0 H ASP A 3 -14.469 17.299 -3.674 1.00 0.00 H new ATOM 0 HA ASP A 3 -15.210 15.711 -5.585 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -14.792 18.155 -5.835 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.079 17.839 -6.026 1.00 0.00 H new ATOM 54 N LEU A 4 -11.922 15.389 -5.486 1.00 0.00 N ATOM 55 CA LEU A 4 -10.823 14.493 -5.813 1.00 0.00 C ATOM 56 C LEU A 4 -10.150 13.945 -4.555 1.00 0.00 C ATOM 57 O LEU A 4 -9.445 12.938 -4.612 1.00 0.00 O ATOM 58 CB LEU A 4 -9.795 15.201 -6.697 1.00 0.00 C ATOM 59 CG LEU A 4 -10.346 15.762 -8.009 1.00 0.00 C ATOM 60 CD1 LEU A 4 -10.861 17.179 -7.810 1.00 0.00 C ATOM 61 CD2 LEU A 4 -9.278 15.727 -9.092 1.00 0.00 C ATOM 0 H LEU A 4 -11.646 16.226 -4.972 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.241 13.650 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.351 16.018 -6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.993 14.500 -6.928 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.180 15.137 -8.328 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.249 17.561 -8.754 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.657 17.176 -7.065 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.047 17.817 -7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.686 16.130 -10.019 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.424 16.328 -8.780 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.957 14.698 -9.254 1.00 0.00 H new ATOM 73 N MET A 5 -10.364 14.609 -3.422 1.00 0.00 N ATOM 74 CA MET A 5 -9.766 14.177 -2.163 1.00 0.00 C ATOM 75 C MET A 5 -10.121 12.726 -1.856 1.00 0.00 C ATOM 76 O MET A 5 -9.285 11.963 -1.369 1.00 0.00 O ATOM 77 CB MET A 5 -10.223 15.082 -1.018 1.00 0.00 C ATOM 78 CG MET A 5 -9.156 15.306 0.041 1.00 0.00 C ATOM 79 SD MET A 5 -9.850 15.510 1.693 1.00 0.00 S ATOM 80 CE MET A 5 -8.477 16.286 2.543 1.00 0.00 C ATOM 0 H MET A 5 -10.945 15.445 -3.350 1.00 0.00 H new ATOM 0 HA MET A 5 -8.683 14.250 -2.263 1.00 0.00 H new ATOM 0 HB2 MET A 5 -10.526 16.046 -1.426 1.00 0.00 H new ATOM 0 HB3 MET A 5 -11.103 14.644 -0.548 1.00 0.00 H new ATOM 0 HG2 MET A 5 -8.467 14.461 0.042 1.00 0.00 H new ATOM 0 HG3 MET A 5 -8.574 16.191 -0.216 1.00 0.00 H new ATOM 0 HE1 MET A 5 -8.752 16.476 3.580 1.00 0.00 H new ATOM 0 HE2 MET A 5 -7.610 15.626 2.513 1.00 0.00 H new ATOM 0 HE3 MET A 5 -8.232 17.229 2.054 1.00 0.00 H new ATOM 90 N SER A 6 -11.358 12.346 -2.152 1.00 0.00 N ATOM 91 CA SER A 6 -11.812 10.981 -1.915 1.00 0.00 C ATOM 92 C SER A 6 -11.438 10.069 -3.084 1.00 0.00 C ATOM 93 O SER A 6 -11.813 8.897 -3.111 1.00 0.00 O ATOM 94 CB SER A 6 -13.326 10.953 -1.696 1.00 0.00 C ATOM 95 OG SER A 6 -13.718 9.792 -0.985 1.00 0.00 O ATOM 0 H SER A 6 -12.063 12.962 -2.556 1.00 0.00 H new ATOM 0 HA SER A 6 -11.315 10.613 -1.017 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.633 11.842 -1.145 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.836 10.983 -2.659 1.00 0.00 H new ATOM 0 HG SER A 6 -13.297 9.004 -1.388 1.00 0.00 H new ATOM 101 N LEU A 7 -10.698 10.614 -4.048 1.00 0.00 N ATOM 102 CA LEU A 7 -10.276 9.850 -5.214 1.00 0.00 C ATOM 103 C LEU A 7 -8.766 9.631 -5.216 1.00 0.00 C ATOM 104 O LEU A 7 -8.263 8.767 -5.931 1.00 0.00 O ATOM 105 CB LEU A 7 -10.700 10.566 -6.498 1.00 0.00 C ATOM 106 CG LEU A 7 -10.958 9.650 -7.696 1.00 0.00 C ATOM 107 CD1 LEU A 7 -12.081 10.203 -8.559 1.00 0.00 C ATOM 108 CD2 LEU A 7 -9.689 9.476 -8.516 1.00 0.00 C ATOM 0 H LEU A 7 -10.379 11.583 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.761 8.875 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -11.606 11.137 -6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.925 11.283 -6.769 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.263 8.672 -7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.250 9.538 -9.406 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -12.993 10.275 -7.967 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.806 11.193 -8.924 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.891 8.822 -9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.354 10.448 -8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.911 9.034 -7.893 1.00 0.00 H new ATOM 120 N VAL A 8 -8.041 10.413 -4.418 1.00 0.00 N ATOM 121 CA VAL A 8 -6.590 10.277 -4.351 1.00 0.00 C ATOM 122 C VAL A 8 -6.173 9.331 -3.225 1.00 0.00 C ATOM 123 O VAL A 8 -5.325 8.462 -3.417 1.00 0.00 O ATOM 124 CB VAL A 8 -5.897 11.646 -4.164 1.00 0.00 C ATOM 125 CG1 VAL A 8 -6.018 12.138 -2.728 1.00 0.00 C ATOM 126 CG2 VAL A 8 -4.437 11.563 -4.582 1.00 0.00 C ATOM 0 H VAL A 8 -8.430 11.139 -3.816 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.269 9.855 -5.303 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.403 12.368 -4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.520 13.103 -2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.071 12.245 -2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.549 11.419 -2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.963 12.535 -4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.925 10.820 -3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.375 11.274 -5.631 1.00 0.00 H new ATOM 136 N ILE A 9 -6.774 9.513 -2.053 1.00 0.00 N ATOM 137 CA ILE A 9 -6.469 8.691 -0.889 1.00 0.00 C ATOM 138 C ILE A 9 -7.146 7.322 -0.970 1.00 0.00 C ATOM 139 O ILE A 9 -6.659 6.347 -0.398 1.00 0.00 O ATOM 140 CB ILE A 9 -6.897 9.406 0.415 1.00 0.00 C ATOM 141 CG1 ILE A 9 -6.032 8.937 1.583 1.00 0.00 C ATOM 142 CG2 ILE A 9 -8.374 9.178 0.712 1.00 0.00 C ATOM 143 CD1 ILE A 9 -4.585 9.356 1.457 1.00 0.00 C ATOM 0 H ILE A 9 -7.481 10.229 -1.885 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.390 8.539 -0.878 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.750 10.477 0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.440 9.336 2.512 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.084 7.850 1.652 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.643 9.693 1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.975 9.567 -0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.562 8.110 0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.024 8.992 2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.162 8.935 0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.523 10.444 1.417 1.00 0.00 H new ATOM 155 N ALA A 10 -8.270 7.254 -1.676 1.00 0.00 N ATOM 156 CA ALA A 10 -9.001 6.000 -1.815 1.00 0.00 C ATOM 157 C ALA A 10 -8.164 4.947 -2.542 1.00 0.00 C ATOM 158 O ALA A 10 -7.842 3.905 -1.972 1.00 0.00 O ATOM 159 CB ALA A 10 -10.325 6.230 -2.531 1.00 0.00 C ATOM 0 H ALA A 10 -8.692 8.047 -2.158 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.212 5.621 -0.815 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -10.857 5.283 -2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.932 6.931 -1.958 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.136 6.641 -3.523 1.00 0.00 H new ATOM 165 N PRO A 11 -7.793 5.199 -3.813 1.00 0.00 N ATOM 166 CA PRO A 11 -6.988 4.255 -4.595 1.00 0.00 C ATOM 167 C PRO A 11 -5.671 3.912 -3.908 1.00 0.00 C ATOM 168 O PRO A 11 -5.339 2.741 -3.726 1.00 0.00 O ATOM 169 CB PRO A 11 -6.723 5.000 -5.906 1.00 0.00 C ATOM 170 CG PRO A 11 -7.809 6.011 -5.999 1.00 0.00 C ATOM 171 CD PRO A 11 -8.122 6.410 -4.585 1.00 0.00 C ATOM 0 HA PRO A 11 -7.501 3.303 -4.729 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.742 5.474 -5.899 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.743 4.320 -6.758 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.492 6.872 -6.587 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.688 5.596 -6.491 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.526 7.265 -4.266 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.169 6.690 -4.468 1.00 0.00 H new ATOM 179 N ILE A 12 -4.922 4.945 -3.530 1.00 0.00 N ATOM 180 CA ILE A 12 -3.637 4.760 -2.863 1.00 0.00 C ATOM 181 C ILE A 12 -3.770 3.877 -1.629 1.00 0.00 C ATOM 182 O ILE A 12 -2.804 3.249 -1.195 1.00 0.00 O ATOM 183 CB ILE A 12 -3.018 6.111 -2.452 1.00 0.00 C ATOM 184 CG1 ILE A 12 -4.013 6.922 -1.628 1.00 0.00 C ATOM 185 CG2 ILE A 12 -2.579 6.892 -3.682 1.00 0.00 C ATOM 186 CD1 ILE A 12 -3.881 6.711 -0.133 1.00 0.00 C ATOM 0 H ILE A 12 -5.184 5.920 -3.675 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.980 4.269 -3.582 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.139 5.917 -1.838 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.877 7.981 -1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.025 6.659 -1.935 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.144 7.843 -3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.836 6.315 -4.233 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.442 7.078 -4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.621 7.320 0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.046 5.660 0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.881 7.002 0.189 1.00 0.00 H new ATOM 198 N PHE A 13 -4.970 3.832 -1.069 1.00 0.00 N ATOM 199 CA PHE A 13 -5.231 3.024 0.116 1.00 0.00 C ATOM 200 C PHE A 13 -5.038 1.542 -0.187 1.00 0.00 C ATOM 201 O PHE A 13 -4.082 0.923 0.279 1.00 0.00 O ATOM 202 CB PHE A 13 -6.650 3.276 0.629 1.00 0.00 C ATOM 203 CG PHE A 13 -6.723 3.482 2.115 1.00 0.00 C ATOM 204 CD1 PHE A 13 -6.217 4.636 2.693 1.00 0.00 C ATOM 205 CD2 PHE A 13 -7.298 2.523 2.934 1.00 0.00 C ATOM 206 CE1 PHE A 13 -6.282 4.828 4.060 1.00 0.00 C ATOM 207 CE2 PHE A 13 -7.366 2.710 4.301 1.00 0.00 C ATOM 208 CZ PHE A 13 -6.858 3.865 4.865 1.00 0.00 C ATOM 0 H PHE A 13 -5.780 4.346 -1.416 1.00 0.00 H new ATOM 0 HA PHE A 13 -4.520 3.313 0.889 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -7.058 4.154 0.128 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.282 2.431 0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.767 5.393 2.068 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.697 1.619 2.498 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.883 5.731 4.498 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -7.816 1.955 4.928 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.911 4.014 5.933 1.00 0.00 H new ATOM 218 N VAL A 14 -5.952 0.980 -0.972 1.00 0.00 N ATOM 219 CA VAL A 14 -5.885 -0.430 -1.341 1.00 0.00 C ATOM 220 C VAL A 14 -4.510 -0.795 -1.896 1.00 0.00 C ATOM 221 O VAL A 14 -4.080 -1.945 -1.807 1.00 0.00 O ATOM 222 CB VAL A 14 -6.964 -0.789 -2.382 1.00 0.00 C ATOM 223 CG1 VAL A 14 -6.757 0.003 -3.665 1.00 0.00 C ATOM 224 CG2 VAL A 14 -6.962 -2.284 -2.664 1.00 0.00 C ATOM 0 H VAL A 14 -6.749 1.480 -1.365 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.064 -1.003 -0.431 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.938 -0.522 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.529 -0.265 -4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.818 1.069 -3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.776 -0.227 -4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.731 -2.516 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.987 -2.580 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.167 -2.828 -1.742 1.00 0.00 H new ATOM 234 N GLY A 15 -3.826 0.190 -2.469 1.00 0.00 N ATOM 235 CA GLY A 15 -2.509 -0.050 -3.029 1.00 0.00 C ATOM 236 C GLY A 15 -1.432 -0.130 -1.965 1.00 0.00 C ATOM 237 O GLY A 15 -0.452 -0.858 -2.119 1.00 0.00 O ATOM 0 H GLY A 15 -4.160 1.150 -2.555 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.523 -0.980 -3.598 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.265 0.748 -3.730 1.00 0.00 H new ATOM 241 N LEU A 16 -1.612 0.622 -0.883 1.00 0.00 N ATOM 242 CA LEU A 16 -0.646 0.632 0.209 1.00 0.00 C ATOM 243 C LEU A 16 -0.890 -0.532 1.164 1.00 0.00 C ATOM 244 O LEU A 16 0.043 -1.044 1.783 1.00 0.00 O ATOM 245 CB LEU A 16 -0.718 1.956 0.971 1.00 0.00 C ATOM 246 CG LEU A 16 0.247 3.038 0.483 1.00 0.00 C ATOM 247 CD1 LEU A 16 -0.078 3.438 -0.948 1.00 0.00 C ATOM 248 CD2 LEU A 16 0.197 4.250 1.402 1.00 0.00 C ATOM 0 H LEU A 16 -2.417 1.231 -0.740 1.00 0.00 H new ATOM 0 HA LEU A 16 0.350 0.522 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.735 2.341 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.519 1.762 2.025 1.00 0.00 H new ATOM 0 HG LEU A 16 1.258 2.632 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.619 4.209 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.010 2.567 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.096 3.825 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.890 5.010 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.814 4.657 1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.480 3.953 2.412 1.00 0.00 H new ATOM 260 N VAL A 17 -2.147 -0.951 1.274 1.00 0.00 N ATOM 261 CA VAL A 17 -2.504 -2.062 2.151 1.00 0.00 C ATOM 262 C VAL A 17 -2.096 -3.382 1.524 1.00 0.00 C ATOM 263 O VAL A 17 -1.341 -4.158 2.109 1.00 0.00 O ATOM 264 CB VAL A 17 -4.019 -2.124 2.439 1.00 0.00 C ATOM 265 CG1 VAL A 17 -4.274 -2.772 3.792 1.00 0.00 C ATOM 266 CG2 VAL A 17 -4.654 -0.740 2.377 1.00 0.00 C ATOM 0 H VAL A 17 -2.933 -0.540 0.769 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.974 -1.893 3.088 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.484 -2.735 1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.347 -2.809 3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.871 -3.785 3.792 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.788 -2.187 4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.721 -0.820 2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.187 -0.092 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.508 -0.317 1.383 1.00 0.00 H new ATOM 276 N LEU A 18 -2.613 -3.630 0.326 1.00 0.00 N ATOM 277 CA LEU A 18 -2.320 -4.857 -0.397 1.00 0.00 C ATOM 278 C LEU A 18 -0.821 -5.148 -0.388 1.00 0.00 C ATOM 279 O LEU A 18 -0.401 -6.305 -0.416 1.00 0.00 O ATOM 280 CB LEU A 18 -2.827 -4.756 -1.837 1.00 0.00 C ATOM 281 CG LEU A 18 -4.255 -5.258 -2.056 1.00 0.00 C ATOM 282 CD1 LEU A 18 -4.851 -4.638 -3.311 1.00 0.00 C ATOM 283 CD2 LEU A 18 -4.277 -6.776 -2.147 1.00 0.00 C ATOM 0 H LEU A 18 -3.240 -2.993 -0.165 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.833 -5.679 0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.771 -3.714 -2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.156 -5.322 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.862 -4.956 -1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.867 -5.006 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.869 -3.553 -3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.244 -4.910 -4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.301 -7.116 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.656 -7.099 -2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.890 -7.202 -1.221 1.00 0.00 H new ATOM 295 N GLU A 19 -0.023 -4.086 -0.344 1.00 0.00 N ATOM 296 CA GLU A 19 1.428 -4.217 -0.325 1.00 0.00 C ATOM 297 C GLU A 19 1.910 -4.644 1.057 1.00 0.00 C ATOM 298 O GLU A 19 2.805 -5.481 1.184 1.00 0.00 O ATOM 299 CB GLU A 19 2.084 -2.892 -0.719 1.00 0.00 C ATOM 300 CG GLU A 19 2.308 -2.745 -2.215 1.00 0.00 C ATOM 301 CD GLU A 19 3.284 -1.635 -2.552 1.00 0.00 C ATOM 302 OE1 GLU A 19 2.894 -0.452 -2.458 1.00 0.00 O ATOM 303 OE2 GLU A 19 4.438 -1.948 -2.912 1.00 0.00 O ATOM 0 H GLU A 19 -0.359 -3.123 -0.321 1.00 0.00 H new ATOM 0 HA GLU A 19 1.713 -4.983 -1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.459 -2.069 -0.371 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.042 -2.804 -0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.682 -3.687 -2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.354 -2.546 -2.704 1.00 0.00 H new ATOM 310 N MET A 20 1.308 -4.062 2.090 1.00 0.00 N ATOM 311 CA MET A 20 1.664 -4.371 3.466 1.00 0.00 C ATOM 312 C MET A 20 1.650 -5.874 3.722 1.00 0.00 C ATOM 313 O MET A 20 2.532 -6.407 4.396 1.00 0.00 O ATOM 314 CB MET A 20 0.695 -3.678 4.419 1.00 0.00 C ATOM 315 CG MET A 20 1.277 -3.446 5.796 1.00 0.00 C ATOM 316 SD MET A 20 0.050 -2.869 6.985 1.00 0.00 S ATOM 317 CE MET A 20 0.862 -1.407 7.627 1.00 0.00 C ATOM 0 H MET A 20 0.566 -3.369 1.996 1.00 0.00 H new ATOM 0 HA MET A 20 2.677 -4.008 3.641 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.397 -2.721 3.991 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.208 -4.281 4.510 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.720 -4.373 6.159 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.082 -2.714 5.727 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.225 -0.937 8.376 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.811 -1.689 8.082 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.044 -0.705 6.813 1.00 0.00 H new ATOM 327 N ILE A 21 0.647 -6.552 3.179 1.00 0.00 N ATOM 328 CA ILE A 21 0.522 -7.989 3.348 1.00 0.00 C ATOM 329 C ILE A 21 1.300 -8.720 2.262 1.00 0.00 C ATOM 330 O ILE A 21 1.878 -9.779 2.505 1.00 0.00 O ATOM 331 CB ILE A 21 -0.965 -8.430 3.347 1.00 0.00 C ATOM 332 CG1 ILE A 21 -1.089 -9.948 3.177 1.00 0.00 C ATOM 333 CG2 ILE A 21 -1.749 -7.697 2.265 1.00 0.00 C ATOM 334 CD1 ILE A 21 -0.775 -10.425 1.775 1.00 0.00 C ATOM 0 H ILE A 21 -0.091 -6.127 2.618 1.00 0.00 H new ATOM 0 HA ILE A 21 0.945 -8.252 4.318 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.393 -8.165 4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.417 -10.441 3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.102 -10.254 3.438 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -2.789 -8.024 2.285 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.702 -6.623 2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.317 -7.919 1.289 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.883 -11.509 1.727 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.464 -9.960 1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.248 -10.150 1.518 1.00 0.00 H new ATOM 346 N SER A 22 1.313 -8.150 1.063 1.00 0.00 N ATOM 347 CA SER A 22 2.023 -8.753 -0.056 1.00 0.00 C ATOM 348 C SER A 22 3.491 -8.971 0.291 1.00 0.00 C ATOM 349 O SER A 22 4.128 -9.894 -0.216 1.00 0.00 O ATOM 350 CB SER A 22 1.899 -7.876 -1.302 1.00 0.00 C ATOM 351 OG SER A 22 2.642 -8.415 -2.382 1.00 0.00 O ATOM 0 H SER A 22 0.841 -7.273 0.842 1.00 0.00 H new ATOM 0 HA SER A 22 1.570 -9.723 -0.264 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.850 -7.789 -1.586 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.254 -6.870 -1.079 1.00 0.00 H new ATOM 0 HG SER A 22 2.545 -7.836 -3.167 1.00 0.00 H new ATOM 357 N ARG A 23 4.019 -8.124 1.169 1.00 0.00 N ATOM 358 CA ARG A 23 5.408 -8.237 1.590 1.00 0.00 C ATOM 359 C ARG A 23 5.570 -9.405 2.553 1.00 0.00 C ATOM 360 O ARG A 23 6.513 -10.188 2.441 1.00 0.00 O ATOM 361 CB ARG A 23 5.877 -6.936 2.248 1.00 0.00 C ATOM 362 CG ARG A 23 6.808 -6.113 1.372 1.00 0.00 C ATOM 363 CD ARG A 23 6.221 -5.893 -0.013 1.00 0.00 C ATOM 364 NE ARG A 23 6.967 -4.892 -0.772 1.00 0.00 N ATOM 365 CZ ARG A 23 6.891 -4.756 -2.094 1.00 0.00 C ATOM 366 NH1 ARG A 23 6.104 -5.553 -2.806 1.00 0.00 N ATOM 367 NH2 ARG A 23 7.604 -3.820 -2.706 1.00 0.00 N ATOM 0 H ARG A 23 3.507 -7.355 1.601 1.00 0.00 H new ATOM 0 HA ARG A 23 6.025 -8.419 0.710 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.006 -6.333 2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.386 -7.174 3.182 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.997 -5.150 1.845 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.769 -6.619 1.285 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.220 -6.836 -0.560 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.182 -5.577 0.080 1.00 0.00 H new ATOM 0 HE ARG A 23 7.582 -4.260 -0.259 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.553 -6.274 -2.340 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.050 -5.444 -3.819 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.210 -3.205 -2.164 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.546 -3.716 -3.719 1.00 0.00 H new ATOM 381 N VAL A 24 4.631 -9.529 3.486 1.00 0.00 N ATOM 382 CA VAL A 24 4.657 -10.618 4.455 1.00 0.00 C ATOM 383 C VAL A 24 4.693 -11.955 3.737 1.00 0.00 C ATOM 384 O VAL A 24 5.290 -12.920 4.214 1.00 0.00 O ATOM 385 CB VAL A 24 3.432 -10.582 5.388 1.00 0.00 C ATOM 386 CG1 VAL A 24 3.647 -11.491 6.588 1.00 0.00 C ATOM 387 CG2 VAL A 24 3.135 -9.159 5.835 1.00 0.00 C ATOM 0 H VAL A 24 3.844 -8.889 3.591 1.00 0.00 H new ATOM 0 HA VAL A 24 5.555 -10.492 5.060 1.00 0.00 H new ATOM 0 HB VAL A 24 2.569 -10.948 4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.771 -11.452 7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.801 -12.515 6.246 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.524 -11.159 7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.266 -9.158 6.493 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.996 -8.759 6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.930 -8.539 4.962 1.00 0.00 H new ATOM 397 N LEU A 25 4.055 -11.993 2.576 1.00 0.00 N ATOM 398 CA LEU A 25 4.012 -13.199 1.768 1.00 0.00 C ATOM 399 C LEU A 25 5.409 -13.641 1.361 1.00 0.00 C ATOM 400 O LEU A 25 5.615 -14.790 0.971 1.00 0.00 O ATOM 401 CB LEU A 25 3.156 -12.967 0.523 1.00 0.00 C ATOM 402 CG LEU A 25 1.651 -13.150 0.727 1.00 0.00 C ATOM 403 CD1 LEU A 25 0.875 -12.480 -0.396 1.00 0.00 C ATOM 404 CD2 LEU A 25 1.301 -14.628 0.812 1.00 0.00 C ATOM 0 H LEU A 25 3.559 -11.198 2.173 1.00 0.00 H new ATOM 0 HA LEU A 25 3.567 -13.991 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.337 -11.955 0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.487 -13.651 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 25 1.370 -12.676 1.668 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.194 -12.621 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.103 -11.414 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.159 -12.924 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.227 -14.740 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.596 -15.125 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.829 -15.079 1.652 1.00 0.00 H new ATOM 416 N ASP A 26 6.365 -12.726 1.439 1.00 0.00 N ATOM 417 CA ASP A 26 7.729 -13.039 1.060 1.00 0.00 C ATOM 418 C ASP A 26 8.731 -12.153 1.795 1.00 0.00 C ATOM 419 O ASP A 26 9.784 -11.812 1.256 1.00 0.00 O ATOM 420 CB ASP A 26 7.869 -12.879 -0.447 1.00 0.00 C ATOM 421 CG ASP A 26 9.068 -13.620 -1.005 1.00 0.00 C ATOM 422 OD1 ASP A 26 9.053 -14.869 -0.991 1.00 0.00 O ATOM 423 OD2 ASP A 26 10.022 -12.952 -1.456 1.00 0.00 O ATOM 0 H ASP A 26 6.220 -11.769 1.759 1.00 0.00 H new ATOM 0 HA ASP A 26 7.949 -14.069 1.342 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.964 -13.243 -0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.957 -11.820 -0.689 1.00 0.00 H new ATOM 428 N GLU A 27 8.396 -11.785 3.027 1.00 0.00 N ATOM 429 CA GLU A 27 9.268 -10.940 3.835 1.00 0.00 C ATOM 430 C GLU A 27 10.270 -11.785 4.618 1.00 0.00 C ATOM 431 O GLU A 27 10.363 -11.684 5.842 1.00 0.00 O ATOM 432 CB GLU A 27 8.437 -10.086 4.796 1.00 0.00 C ATOM 433 CG GLU A 27 8.028 -8.742 4.217 1.00 0.00 C ATOM 434 CD GLU A 27 8.885 -7.601 4.730 1.00 0.00 C ATOM 435 OE1 GLU A 27 9.292 -7.648 5.910 1.00 0.00 O ATOM 436 OE2 GLU A 27 9.149 -6.661 3.952 1.00 0.00 O ATOM 0 H GLU A 27 7.528 -12.058 3.488 1.00 0.00 H new ATOM 0 HA GLU A 27 9.822 -10.283 3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.541 -10.639 5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.009 -9.920 5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.097 -8.783 3.130 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.984 -8.547 4.463 1.00 0.00 H new ATOM 443 N GLU A 28 11.019 -12.618 3.903 1.00 0.00 N ATOM 444 CA GLU A 28 12.014 -13.481 4.529 1.00 0.00 C ATOM 445 C GLU A 28 13.424 -13.083 4.105 1.00 0.00 C ATOM 446 O GLU A 28 14.294 -13.935 3.929 1.00 0.00 O ATOM 447 CB GLU A 28 11.753 -14.944 4.163 1.00 0.00 C ATOM 448 CG GLU A 28 10.311 -15.376 4.372 1.00 0.00 C ATOM 449 CD GLU A 28 10.199 -16.765 4.968 1.00 0.00 C ATOM 450 OE1 GLU A 28 11.068 -17.611 4.668 1.00 0.00 O ATOM 451 OE2 GLU A 28 9.242 -17.008 5.733 1.00 0.00 O ATOM 0 H GLU A 28 10.956 -12.714 2.889 1.00 0.00 H new ATOM 0 HA GLU A 28 11.932 -13.363 5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.023 -15.102 3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.405 -15.581 4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.813 -14.662 5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.786 -15.351 3.417 1.00 0.00 H new ATOM 458 N ASP A 29 13.642 -11.782 3.943 1.00 0.00 N ATOM 459 CA ASP A 29 14.947 -11.270 3.541 1.00 0.00 C ATOM 460 C ASP A 29 15.930 -11.311 4.706 1.00 0.00 C ATOM 461 O ASP A 29 16.089 -10.330 5.433 1.00 0.00 O ATOM 462 CB ASP A 29 14.818 -9.839 3.018 1.00 0.00 C ATOM 463 CG ASP A 29 14.425 -9.791 1.554 1.00 0.00 C ATOM 464 OD1 ASP A 29 14.790 -10.727 0.811 1.00 0.00 O ATOM 465 OD2 ASP A 29 13.753 -8.819 1.151 1.00 0.00 O ATOM 0 H ASP A 29 12.932 -11.063 4.084 1.00 0.00 H new ATOM 0 HA ASP A 29 15.329 -11.908 2.744 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.074 -9.305 3.609 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.766 -9.319 3.154 1.00 0.00 H new ATOM 470 N ASP A 30 16.589 -12.453 4.878 1.00 0.00 N ATOM 471 CA ASP A 30 17.557 -12.622 5.955 1.00 0.00 C ATOM 472 C ASP A 30 18.980 -12.415 5.446 1.00 0.00 C ATOM 473 O ASP A 30 19.913 -13.082 5.892 1.00 0.00 O ATOM 474 CB ASP A 30 17.423 -14.014 6.576 1.00 0.00 C ATOM 475 CG ASP A 30 16.317 -14.081 7.610 1.00 0.00 C ATOM 476 OD1 ASP A 30 16.578 -13.736 8.782 1.00 0.00 O ATOM 477 OD2 ASP A 30 15.190 -14.479 7.249 1.00 0.00 O ATOM 0 H ASP A 30 16.470 -13.274 4.285 1.00 0.00 H new ATOM 0 HA ASP A 30 17.350 -11.870 6.717 1.00 0.00 H new ATOM 0 HB2 ASP A 30 17.226 -14.742 5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 30 18.368 -14.294 7.040 1.00 0.00 H new ATOM 482 N SER A 31 19.138 -11.485 4.509 1.00 0.00 N ATOM 483 CA SER A 31 20.447 -11.189 3.939 1.00 0.00 C ATOM 484 C SER A 31 21.201 -10.181 4.801 1.00 0.00 C ATOM 485 O SER A 31 21.008 -8.972 4.671 1.00 0.00 O ATOM 486 CB SER A 31 20.297 -10.649 2.516 1.00 0.00 C ATOM 487 OG SER A 31 21.558 -10.331 1.955 1.00 0.00 O ATOM 0 H SER A 31 18.376 -10.924 4.129 1.00 0.00 H new ATOM 0 HA SER A 31 21.020 -12.116 3.910 1.00 0.00 H new ATOM 0 HB2 SER A 31 19.795 -11.390 1.894 1.00 0.00 H new ATOM 0 HB3 SER A 31 19.665 -9.761 2.526 1.00 0.00 H new ATOM 0 HG SER A 31 21.434 -9.989 1.045 1.00 0.00 H new ATOM 493 N ARG A 32 22.059 -10.687 5.680 1.00 0.00 N ATOM 494 CA ARG A 32 22.842 -9.830 6.564 1.00 0.00 C ATOM 495 C ARG A 32 24.323 -10.187 6.495 1.00 0.00 C ATOM 496 O ARG A 32 25.049 -10.061 7.481 1.00 0.00 O ATOM 497 CB ARG A 32 22.342 -9.955 8.004 1.00 0.00 C ATOM 498 CG ARG A 32 21.226 -8.982 8.347 1.00 0.00 C ATOM 499 CD ARG A 32 21.101 -8.785 9.849 1.00 0.00 C ATOM 500 NE ARG A 32 19.805 -8.222 10.221 1.00 0.00 N ATOM 501 CZ ARG A 32 19.463 -7.911 11.470 1.00 0.00 C ATOM 502 NH1 ARG A 32 20.316 -8.108 12.468 1.00 0.00 N ATOM 503 NH2 ARG A 32 18.264 -7.403 11.721 1.00 0.00 N ATOM 0 H ARG A 32 22.230 -11.685 5.800 1.00 0.00 H new ATOM 0 HA ARG A 32 22.719 -8.799 6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 32 21.989 -10.973 8.170 1.00 0.00 H new ATOM 0 HB3 ARG A 32 23.177 -9.792 8.685 1.00 0.00 H new ATOM 0 HG2 ARG A 32 21.419 -8.022 7.868 1.00 0.00 H new ATOM 0 HG3 ARG A 32 20.282 -9.354 7.948 1.00 0.00 H new ATOM 0 HD2 ARG A 32 21.239 -9.742 10.353 1.00 0.00 H new ATOM 0 HD3 ARG A 32 21.896 -8.125 10.196 1.00 0.00 H new ATOM 0 HE ARG A 32 19.122 -8.058 9.481 1.00 0.00 H new ATOM 0 HH11 ARG A 32 21.239 -8.499 12.280 1.00 0.00 H new ATOM 0 HH12 ARG A 32 20.048 -7.868 13.423 1.00 0.00 H new ATOM 0 HH21 ARG A 32 17.605 -7.251 10.958 1.00 0.00 H new ATOM 0 HH22 ARG A 32 18.001 -7.165 12.677 1.00 0.00 H new ATOM 517 N LYS A 33 24.766 -10.632 5.323 1.00 0.00 N ATOM 518 CA LYS A 33 26.161 -11.006 5.125 1.00 0.00 C ATOM 519 C LYS A 33 26.557 -12.145 6.061 1.00 0.00 C ATOM 520 O LYS A 33 26.519 -13.312 5.619 1.00 0.00 O ATOM 521 CB LYS A 33 27.073 -9.800 5.358 1.00 0.00 C ATOM 522 CG LYS A 33 28.278 -9.762 4.433 1.00 0.00 C ATOM 523 CD LYS A 33 27.886 -9.346 3.024 1.00 0.00 C ATOM 524 CE LYS A 33 27.730 -10.551 2.111 1.00 0.00 C ATOM 525 NZ LYS A 33 27.996 -10.207 0.687 1.00 0.00 N ATOM 526 OXT LYS A 33 26.901 -11.859 7.227 1.00 0.00 O ATOM 0 H LYS A 33 24.179 -10.742 4.496 1.00 0.00 H new ATOM 0 HA LYS A 33 26.277 -11.347 4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 33 26.494 -8.886 5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 33 27.419 -9.811 6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 33 29.018 -9.065 4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 33 28.748 -10.745 4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.950 -8.788 3.055 1.00 0.00 H new ATOM 0 HD3 LYS A 33 28.643 -8.676 2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 33 28.414 -11.338 2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 33 26.720 -10.950 2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 27.879 -11.056 0.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 27.327 -9.474 0.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 28.968 -9.850 0.592 1.00 0.00 H new TER 540 LYS A 33