USER MOD reduce.3.24.130724 H: found=0, std=0, add=293, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 288 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 SER N :NH3+ -128:sc= 0.00517 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0281 USER MOD Single : A 8 THR OG1 : rot 145:sc= 1.23 USER MOD Single : A 12 HIS : no HD1:sc= -0.29 X(o=-0.29,f=-0.64) USER MOD Single : A 14 HIS : no HE2:sc= -2.98! C(o=-3!,f=-4.2!) USER MOD Single : A 15 GLN : amide:sc= 0.435 X(o=0.44,f=-0.019) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.076 K(o=-0.076,f=-1.2) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -14.848 -16.028 0.228 1.00 0.00 N ATOM 2 CA SER A 1 -15.018 -14.958 -0.803 1.00 0.00 C ATOM 3 C SER A 1 -16.221 -14.073 -0.446 1.00 0.00 C ATOM 4 O SER A 1 -17.311 -14.254 -0.957 1.00 0.00 O ATOM 5 CB SER A 1 -15.260 -15.705 -2.119 1.00 0.00 C ATOM 6 OG SER A 1 -15.135 -14.796 -3.207 1.00 0.00 O ATOM 0 H1 SER A 1 -13.867 -16.024 0.574 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.496 -15.851 1.022 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.063 -16.954 -0.194 1.00 0.00 H new ATOM 0 HA SER A 1 -14.151 -14.301 -0.869 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.542 -16.518 -2.226 1.00 0.00 H new ATOM 0 HB3 SER A 1 -16.253 -16.154 -2.118 1.00 0.00 H new ATOM 0 HG SER A 1 -15.288 -15.272 -4.050 1.00 0.00 H new ATOM 11 N ASP A 2 -16.028 -13.121 0.435 1.00 0.00 N ATOM 12 CA ASP A 2 -17.156 -12.225 0.837 1.00 0.00 C ATOM 13 C ASP A 2 -16.688 -10.764 0.866 1.00 0.00 C ATOM 14 O ASP A 2 -16.433 -10.201 1.915 1.00 0.00 O ATOM 15 CB ASP A 2 -17.555 -12.697 2.242 1.00 0.00 C ATOM 16 CG ASP A 2 -17.977 -14.169 2.196 1.00 0.00 C ATOM 17 OD1 ASP A 2 -19.122 -14.427 1.864 1.00 0.00 O ATOM 18 OD2 ASP A 2 -17.145 -15.013 2.492 1.00 0.00 O ATOM 0 H ASP A 2 -15.138 -12.926 0.893 1.00 0.00 H new ATOM 0 HA ASP A 2 -17.993 -12.273 0.140 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.718 -12.571 2.929 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -18.374 -12.086 2.622 1.00 0.00 H new ATOM 23 N LEU A 3 -16.569 -10.151 -0.286 1.00 0.00 N ATOM 24 CA LEU A 3 -16.114 -8.724 -0.342 1.00 0.00 C ATOM 25 C LEU A 3 -17.256 -7.767 0.045 1.00 0.00 C ATOM 26 O LEU A 3 -17.085 -6.949 0.929 1.00 0.00 O ATOM 27 CB LEU A 3 -15.670 -8.489 -1.792 1.00 0.00 C ATOM 28 CG LEU A 3 -14.249 -7.922 -1.807 1.00 0.00 C ATOM 29 CD1 LEU A 3 -13.239 -9.059 -1.637 1.00 0.00 C ATOM 30 CD2 LEU A 3 -13.997 -7.213 -3.141 1.00 0.00 C ATOM 0 H LEU A 3 -16.767 -10.576 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 3 -15.303 -8.534 0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -15.705 -9.425 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -16.354 -7.798 -2.285 1.00 0.00 H new ATOM 0 HG LEU A 3 -14.135 -7.212 -0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -12.228 -8.652 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.416 -9.564 -0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -13.352 -9.772 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.985 -6.809 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -14.113 -7.924 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.714 -6.401 -3.262 1.00 0.00 H new ATOM 42 N PRO A 4 -18.386 -7.889 -0.625 1.00 0.00 N ATOM 43 CA PRO A 4 -19.546 -7.008 -0.324 1.00 0.00 C ATOM 44 C PRO A 4 -20.268 -7.485 0.949 1.00 0.00 C ATOM 45 O PRO A 4 -21.430 -7.849 0.920 1.00 0.00 O ATOM 46 CB PRO A 4 -20.441 -7.161 -1.552 1.00 0.00 C ATOM 47 CG PRO A 4 -20.098 -8.500 -2.129 1.00 0.00 C ATOM 48 CD PRO A 4 -18.688 -8.835 -1.710 1.00 0.00 C ATOM 0 HA PRO A 4 -19.262 -5.972 -0.139 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -21.495 -7.109 -1.279 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -20.259 -6.364 -2.273 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -20.793 -9.259 -1.772 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -20.179 -8.480 -3.216 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -18.611 -9.867 -1.368 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -17.991 -8.721 -2.540 1.00 0.00 H new ATOM 56 N ALA A 5 -19.581 -7.487 2.065 1.00 0.00 N ATOM 57 CA ALA A 5 -20.212 -7.941 3.342 1.00 0.00 C ATOM 58 C ALA A 5 -20.927 -6.773 4.036 1.00 0.00 C ATOM 59 O ALA A 5 -22.075 -6.886 4.424 1.00 0.00 O ATOM 60 CB ALA A 5 -19.052 -8.453 4.201 1.00 0.00 C ATOM 0 H ALA A 5 -18.608 -7.193 2.146 1.00 0.00 H new ATOM 0 HA ALA A 5 -20.965 -8.711 3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -19.436 -8.805 5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -18.553 -9.274 3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -18.340 -7.645 4.370 1.00 0.00 H new ATOM 66 N LEU A 6 -20.259 -5.656 4.197 1.00 0.00 N ATOM 67 CA LEU A 6 -20.905 -4.486 4.868 1.00 0.00 C ATOM 68 C LEU A 6 -20.453 -3.173 4.213 1.00 0.00 C ATOM 69 O LEU A 6 -21.235 -2.495 3.573 1.00 0.00 O ATOM 70 CB LEU A 6 -20.443 -4.557 6.331 1.00 0.00 C ATOM 71 CG LEU A 6 -21.573 -4.108 7.267 1.00 0.00 C ATOM 72 CD1 LEU A 6 -21.999 -2.677 6.926 1.00 0.00 C ATOM 73 CD2 LEU A 6 -22.775 -5.048 7.116 1.00 0.00 C ATOM 0 H LEU A 6 -19.297 -5.505 3.893 1.00 0.00 H new ATOM 0 HA LEU A 6 -21.992 -4.514 4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -20.142 -5.576 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -19.568 -3.923 6.475 1.00 0.00 H new ATOM 0 HG LEU A 6 -21.213 -4.140 8.295 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -22.801 -2.367 7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -21.148 -2.006 7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -22.351 -2.638 5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -23.575 -4.726 7.782 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -23.129 -5.023 6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -22.477 -6.064 7.373 1.00 0.00 H new ATOM 85 N SER A 7 -19.203 -2.807 4.367 1.00 0.00 N ATOM 86 CA SER A 7 -18.709 -1.534 3.756 1.00 0.00 C ATOM 87 C SER A 7 -17.254 -1.692 3.295 1.00 0.00 C ATOM 88 O SER A 7 -16.352 -1.071 3.828 1.00 0.00 O ATOM 89 CB SER A 7 -18.814 -0.490 4.873 1.00 0.00 C ATOM 90 OG SER A 7 -20.178 -0.329 5.249 1.00 0.00 O ATOM 0 H SER A 7 -18.504 -3.335 4.889 1.00 0.00 H new ATOM 0 HA SER A 7 -19.286 -1.248 2.877 1.00 0.00 H new ATOM 0 HB2 SER A 7 -18.223 -0.803 5.734 1.00 0.00 H new ATOM 0 HB3 SER A 7 -18.405 0.462 4.535 1.00 0.00 H new ATOM 0 HG SER A 7 -20.244 0.338 5.964 1.00 0.00 H new ATOM 96 N THR A 8 -17.019 -2.516 2.306 1.00 0.00 N ATOM 97 CA THR A 8 -15.623 -2.715 1.806 1.00 0.00 C ATOM 98 C THR A 8 -15.373 -1.848 0.559 1.00 0.00 C ATOM 99 O THR A 8 -14.760 -2.282 -0.398 1.00 0.00 O ATOM 100 CB THR A 8 -15.523 -4.211 1.464 1.00 0.00 C ATOM 101 OG1 THR A 8 -16.114 -4.980 2.504 1.00 0.00 O ATOM 102 CG2 THR A 8 -14.052 -4.609 1.312 1.00 0.00 C ATOM 0 H THR A 8 -17.733 -3.060 1.822 1.00 0.00 H new ATOM 0 HA THR A 8 -14.877 -2.423 2.545 1.00 0.00 H new ATOM 0 HB THR A 8 -16.049 -4.400 0.528 1.00 0.00 H new ATOM 0 HG1 THR A 8 -16.554 -5.767 2.119 1.00 0.00 H new ATOM 0 HG21 THR A 8 -13.985 -5.670 1.070 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.598 -4.025 0.512 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.525 -4.416 2.246 1.00 0.00 H new ATOM 110 N GLY A 9 -15.838 -0.622 0.571 1.00 0.00 N ATOM 111 CA GLY A 9 -15.624 0.279 -0.599 1.00 0.00 C ATOM 112 C GLY A 9 -14.505 1.263 -0.262 1.00 0.00 C ATOM 113 O GLY A 9 -13.344 1.001 -0.513 1.00 0.00 O ATOM 0 H GLY A 9 -16.358 -0.208 1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -15.361 -0.304 -1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -16.542 0.817 -0.834 1.00 0.00 H new ATOM 117 N LEU A 10 -14.846 2.386 0.323 1.00 0.00 N ATOM 118 CA LEU A 10 -13.801 3.389 0.700 1.00 0.00 C ATOM 119 C LEU A 10 -12.859 2.786 1.751 1.00 0.00 C ATOM 120 O LEU A 10 -11.662 2.992 1.708 1.00 0.00 O ATOM 121 CB LEU A 10 -14.571 4.583 1.282 1.00 0.00 C ATOM 122 CG LEU A 10 -14.100 5.887 0.623 1.00 0.00 C ATOM 123 CD1 LEU A 10 -12.592 6.060 0.827 1.00 0.00 C ATOM 124 CD2 LEU A 10 -14.410 5.847 -0.878 1.00 0.00 C ATOM 0 H LEU A 10 -15.803 2.651 0.556 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.188 3.688 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -15.641 4.450 1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.417 4.635 2.360 1.00 0.00 H new ATOM 0 HG LEU A 10 -14.623 6.726 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.265 6.987 0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.371 6.097 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.065 5.219 0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.075 6.774 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.892 5.004 -1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.484 5.735 -1.025 1.00 0.00 H new ATOM 136 N LEU A 11 -13.397 2.028 2.682 1.00 0.00 N ATOM 137 CA LEU A 11 -12.540 1.389 3.730 1.00 0.00 C ATOM 138 C LEU A 11 -11.484 0.499 3.059 1.00 0.00 C ATOM 139 O LEU A 11 -10.309 0.568 3.373 1.00 0.00 O ATOM 140 CB LEU A 11 -13.507 0.545 4.571 1.00 0.00 C ATOM 141 CG LEU A 11 -12.758 -0.092 5.748 1.00 0.00 C ATOM 142 CD1 LEU A 11 -13.440 0.298 7.061 1.00 0.00 C ATOM 143 CD2 LEU A 11 -12.777 -1.615 5.598 1.00 0.00 C ATOM 0 H LEU A 11 -14.394 1.826 2.759 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.006 2.117 4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.320 1.169 4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.958 -0.231 3.953 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.727 0.262 5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.907 -0.155 7.897 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.429 1.383 7.169 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.471 -0.055 7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.245 -2.070 6.434 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.809 -1.967 5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.291 -1.895 4.663 1.00 0.00 H new ATOM 155 N HIS A 12 -11.902 -0.325 2.129 1.00 0.00 N ATOM 156 CA HIS A 12 -10.937 -1.216 1.416 1.00 0.00 C ATOM 157 C HIS A 12 -10.002 -0.375 0.540 1.00 0.00 C ATOM 158 O HIS A 12 -8.802 -0.578 0.530 1.00 0.00 O ATOM 159 CB HIS A 12 -11.810 -2.134 0.552 1.00 0.00 C ATOM 160 CG HIS A 12 -10.986 -3.278 0.024 1.00 0.00 C ATOM 161 ND1 HIS A 12 -11.443 -4.106 -0.987 1.00 0.00 N ATOM 162 CD2 HIS A 12 -9.736 -3.744 0.355 1.00 0.00 C ATOM 163 CE1 HIS A 12 -10.486 -5.019 -1.228 1.00 0.00 C ATOM 164 NE2 HIS A 12 -9.423 -4.844 -0.438 1.00 0.00 N ATOM 0 H HIS A 12 -12.874 -0.418 1.833 1.00 0.00 H new ATOM 0 HA HIS A 12 -10.308 -1.784 2.101 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -12.644 -2.517 1.141 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -12.237 -1.569 -0.277 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.095 -3.321 1.114 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.567 -5.799 -1.970 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -8.566 -5.397 -0.420 1.00 0.00 H new ATOM 172 N LEU A 13 -10.545 0.575 -0.188 1.00 0.00 N ATOM 173 CA LEU A 13 -9.691 1.443 -1.060 1.00 0.00 C ATOM 174 C LEU A 13 -8.617 2.141 -0.216 1.00 0.00 C ATOM 175 O LEU A 13 -7.470 2.233 -0.614 1.00 0.00 O ATOM 176 CB LEU A 13 -10.652 2.470 -1.669 1.00 0.00 C ATOM 177 CG LEU A 13 -9.953 3.213 -2.813 1.00 0.00 C ATOM 178 CD1 LEU A 13 -9.998 2.359 -4.083 1.00 0.00 C ATOM 179 CD2 LEU A 13 -10.670 4.542 -3.067 1.00 0.00 C ATOM 0 H LEU A 13 -11.543 0.785 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.171 0.872 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.547 1.970 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.975 3.178 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.915 3.403 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.501 2.889 -4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.490 1.412 -3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.036 2.168 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.175 5.073 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.708 4.349 -3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.638 5.151 -2.164 1.00 0.00 H new ATOM 191 N HIS A 14 -8.982 2.622 0.951 1.00 0.00 N ATOM 192 CA HIS A 14 -7.989 3.306 1.839 1.00 0.00 C ATOM 193 C HIS A 14 -6.866 2.328 2.215 1.00 0.00 C ATOM 194 O HIS A 14 -5.698 2.657 2.133 1.00 0.00 O ATOM 195 CB HIS A 14 -8.789 3.728 3.083 1.00 0.00 C ATOM 196 CG HIS A 14 -7.851 4.068 4.213 1.00 0.00 C ATOM 197 ND1 HIS A 14 -7.989 3.517 5.480 1.00 0.00 N ATOM 198 CD2 HIS A 14 -6.753 4.891 4.282 1.00 0.00 C ATOM 199 CE1 HIS A 14 -6.998 4.011 6.246 1.00 0.00 C ATOM 200 NE2 HIS A 14 -6.219 4.854 5.565 1.00 0.00 N ATOM 0 H HIS A 14 -9.929 2.569 1.327 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.516 4.162 1.358 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.414 4.589 2.848 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.458 2.922 3.385 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -8.709 2.858 5.776 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.364 5.478 3.463 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.851 3.756 7.285 1.00 0.00 H new ATOM 208 N GLN A 15 -7.217 1.129 2.618 1.00 0.00 N ATOM 209 CA GLN A 15 -6.177 0.123 2.994 1.00 0.00 C ATOM 210 C GLN A 15 -5.196 -0.086 1.833 1.00 0.00 C ATOM 211 O GLN A 15 -4.000 -0.109 2.028 1.00 0.00 O ATOM 212 CB GLN A 15 -6.952 -1.168 3.290 1.00 0.00 C ATOM 213 CG GLN A 15 -5.995 -2.232 3.839 1.00 0.00 C ATOM 214 CD GLN A 15 -5.653 -1.916 5.299 1.00 0.00 C ATOM 215 OE1 GLN A 15 -6.414 -2.224 6.194 1.00 0.00 O ATOM 216 NE2 GLN A 15 -4.531 -1.311 5.579 1.00 0.00 N ATOM 0 H GLN A 15 -8.181 0.805 2.702 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.586 0.444 3.852 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.744 -0.970 4.012 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.432 -1.531 2.382 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.453 -3.218 3.768 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.085 -2.260 3.240 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.890 -1.051 4.829 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.295 -1.098 6.548 1.00 0.00 H new ATOM 225 N ASN A 16 -5.694 -0.229 0.626 1.00 0.00 N ATOM 226 CA ASN A 16 -4.781 -0.431 -0.546 1.00 0.00 C ATOM 227 C ASN A 16 -3.889 0.801 -0.759 1.00 0.00 C ATOM 228 O ASN A 16 -2.683 0.686 -0.850 1.00 0.00 O ATOM 229 CB ASN A 16 -5.708 -0.643 -1.749 1.00 0.00 C ATOM 230 CG ASN A 16 -4.892 -0.600 -3.048 1.00 0.00 C ATOM 231 OD1 ASN A 16 -5.147 0.217 -3.909 1.00 0.00 O ATOM 232 ND2 ASN A 16 -3.915 -1.449 -3.229 1.00 0.00 N ATOM 0 H ASN A 16 -6.689 -0.215 0.402 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.111 -1.277 -0.396 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.219 -1.602 -1.661 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.478 0.128 -1.767 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.370 -1.423 -4.091 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.697 -2.137 -2.508 1.00 0.00 H new ATOM 239 N ILE A 17 -4.472 1.975 -0.846 1.00 0.00 N ATOM 240 CA ILE A 17 -3.653 3.215 -1.060 1.00 0.00 C ATOM 241 C ILE A 17 -2.617 3.373 0.065 1.00 0.00 C ATOM 242 O ILE A 17 -1.468 3.689 -0.180 1.00 0.00 O ATOM 243 CB ILE A 17 -4.659 4.375 -1.048 1.00 0.00 C ATOM 244 CG1 ILE A 17 -5.526 4.313 -2.313 1.00 0.00 C ATOM 245 CG2 ILE A 17 -3.910 5.713 -1.017 1.00 0.00 C ATOM 246 CD1 ILE A 17 -6.712 5.271 -2.175 1.00 0.00 C ATOM 0 H ILE A 17 -5.478 2.129 -0.778 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.094 3.181 -1.995 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.290 4.292 -0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.931 4.580 -3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.885 3.296 -2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.629 6.532 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.292 5.763 -0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.276 5.796 -1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.325 5.224 -3.075 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.313 4.984 -1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.344 6.288 -2.039 1.00 0.00 H new ATOM 258 N VAL A 18 -3.016 3.147 1.293 1.00 0.00 N ATOM 259 CA VAL A 18 -2.055 3.274 2.434 1.00 0.00 C ATOM 260 C VAL A 18 -1.049 2.113 2.410 1.00 0.00 C ATOM 261 O VAL A 18 0.098 2.269 2.785 1.00 0.00 O ATOM 262 CB VAL A 18 -2.930 3.235 3.698 1.00 0.00 C ATOM 263 CG1 VAL A 18 -2.079 2.916 4.930 1.00 0.00 C ATOM 264 CG2 VAL A 18 -3.593 4.601 3.892 1.00 0.00 C ATOM 0 H VAL A 18 -3.965 2.880 1.555 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.467 4.190 2.387 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.686 2.459 3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.715 2.893 5.815 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.601 1.945 4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.314 3.683 5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.215 4.580 4.787 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.824 5.366 4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.212 4.831 3.025 1.00 0.00 H new ATOM 274 N ASP A 19 -1.469 0.957 1.960 1.00 0.00 N ATOM 275 CA ASP A 19 -0.544 -0.221 1.897 1.00 0.00 C ATOM 276 C ASP A 19 0.477 -0.059 0.760 1.00 0.00 C ATOM 277 O ASP A 19 1.433 -0.805 0.672 1.00 0.00 O ATOM 278 CB ASP A 19 -1.444 -1.435 1.633 1.00 0.00 C ATOM 279 CG ASP A 19 -1.942 -2.029 2.959 1.00 0.00 C ATOM 280 OD1 ASP A 19 -2.098 -1.281 3.913 1.00 0.00 O ATOM 281 OD2 ASP A 19 -2.166 -3.228 2.996 1.00 0.00 O ATOM 0 H ASP A 19 -2.417 0.776 1.631 1.00 0.00 H new ATOM 0 HA ASP A 19 0.028 -0.327 2.819 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.294 -1.139 1.018 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.892 -2.190 1.073 1.00 0.00 H new ATOM 286 N VAL A 20 0.295 0.905 -0.109 1.00 0.00 N ATOM 287 CA VAL A 20 1.272 1.101 -1.221 1.00 0.00 C ATOM 288 C VAL A 20 2.163 2.313 -0.926 1.00 0.00 C ATOM 289 O VAL A 20 3.337 2.317 -1.236 1.00 0.00 O ATOM 290 CB VAL A 20 0.424 1.336 -2.477 1.00 0.00 C ATOM 291 CG1 VAL A 20 1.344 1.515 -3.688 1.00 0.00 C ATOM 292 CG2 VAL A 20 -0.489 0.129 -2.718 1.00 0.00 C ATOM 0 H VAL A 20 -0.485 1.562 -0.095 1.00 0.00 H new ATOM 0 HA VAL A 20 1.933 0.243 -1.346 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.182 2.231 -2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.742 1.682 -4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.997 2.372 -3.525 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.949 0.618 -3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.090 0.300 -3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.119 -0.765 -2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.146 -0.007 -1.859 1.00 0.00 H new ATOM 302 N GLN A 21 1.611 3.335 -0.322 1.00 0.00 N ATOM 303 CA GLN A 21 2.420 4.553 0.000 1.00 0.00 C ATOM 304 C GLN A 21 3.402 4.270 1.146 1.00 0.00 C ATOM 305 O GLN A 21 4.516 4.759 1.144 1.00 0.00 O ATOM 306 CB GLN A 21 1.403 5.622 0.417 1.00 0.00 C ATOM 307 CG GLN A 21 1.464 6.797 -0.564 1.00 0.00 C ATOM 308 CD GLN A 21 2.746 7.600 -0.327 1.00 0.00 C ATOM 309 OE1 GLN A 21 3.802 7.238 -0.809 1.00 0.00 O ATOM 310 NE2 GLN A 21 2.701 8.683 0.399 1.00 0.00 N ATOM 0 H GLN A 21 0.633 3.380 -0.037 1.00 0.00 H new ATOM 0 HA GLN A 21 3.019 4.872 -0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.399 5.198 0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.617 5.968 1.428 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.438 6.429 -1.590 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.592 7.438 -0.433 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.816 8.989 0.804 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.550 9.224 0.561 1.00 0.00 H new ATOM 319 N TYR A 22 3.007 3.482 2.121 1.00 0.00 N ATOM 320 CA TYR A 22 3.936 3.176 3.258 1.00 0.00 C ATOM 321 C TYR A 22 5.189 2.446 2.738 1.00 0.00 C ATOM 322 O TYR A 22 6.273 2.607 3.268 1.00 0.00 O ATOM 323 CB TYR A 22 3.114 2.310 4.238 1.00 0.00 C ATOM 324 CG TYR A 22 3.416 0.836 4.064 1.00 0.00 C ATOM 325 CD1 TYR A 22 4.494 0.253 4.739 1.00 0.00 C ATOM 326 CD2 TYR A 22 2.606 0.054 3.235 1.00 0.00 C ATOM 327 CE1 TYR A 22 4.763 -1.112 4.581 1.00 0.00 C ATOM 328 CE2 TYR A 22 2.874 -1.310 3.079 1.00 0.00 C ATOM 329 CZ TYR A 22 3.952 -1.894 3.752 1.00 0.00 C ATOM 330 OH TYR A 22 4.214 -3.240 3.600 1.00 0.00 O ATOM 0 H TYR A 22 2.089 3.041 2.178 1.00 0.00 H new ATOM 0 HA TYR A 22 4.302 4.074 3.757 1.00 0.00 H new ATOM 0 HB2 TYR A 22 3.335 2.609 5.263 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.050 2.486 4.077 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.118 0.856 5.382 1.00 0.00 H new ATOM 0 HD2 TYR A 22 1.773 0.503 2.715 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.597 -1.561 5.099 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.248 -1.913 2.438 1.00 0.00 H new ATOM 0 HH TYR A 22 3.555 -3.635 2.991 1.00 0.00 H new ATOM 340 N MET A 23 5.047 1.664 1.692 1.00 0.00 N ATOM 341 CA MET A 23 6.226 0.940 1.123 1.00 0.00 C ATOM 342 C MET A 23 6.888 1.773 0.008 1.00 0.00 C ATOM 343 O MET A 23 7.746 1.290 -0.706 1.00 0.00 O ATOM 344 CB MET A 23 5.657 -0.365 0.555 1.00 0.00 C ATOM 345 CG MET A 23 6.158 -1.549 1.386 1.00 0.00 C ATOM 346 SD MET A 23 7.757 -2.106 0.744 1.00 0.00 S ATOM 347 CE MET A 23 8.609 -2.236 2.335 1.00 0.00 C ATOM 0 H MET A 23 4.164 1.497 1.209 1.00 0.00 H new ATOM 0 HA MET A 23 6.994 0.758 1.874 1.00 0.00 H new ATOM 0 HB2 MET A 23 4.568 -0.334 0.568 1.00 0.00 H new ATOM 0 HB3 MET A 23 5.961 -0.483 -0.485 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.256 -1.257 2.432 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.436 -2.364 1.349 1.00 0.00 H new ATOM 0 HE1 MET A 23 9.633 -2.571 2.173 1.00 0.00 H new ATOM 0 HE2 MET A 23 8.619 -1.261 2.823 1.00 0.00 H new ATOM 0 HE3 MET A 23 8.088 -2.954 2.969 1.00 0.00 H new ATOM 357 N TYR A 24 6.499 3.021 -0.144 1.00 0.00 N ATOM 358 CA TYR A 24 7.110 3.881 -1.205 1.00 0.00 C ATOM 359 C TYR A 24 8.081 4.896 -0.579 1.00 0.00 C ATOM 360 O TYR A 24 8.365 5.931 -1.154 1.00 0.00 O ATOM 361 CB TYR A 24 5.923 4.599 -1.861 1.00 0.00 C ATOM 362 CG TYR A 24 5.496 3.863 -3.113 1.00 0.00 C ATOM 363 CD1 TYR A 24 5.444 2.461 -3.130 1.00 0.00 C ATOM 364 CD2 TYR A 24 5.141 4.586 -4.258 1.00 0.00 C ATOM 365 CE1 TYR A 24 5.040 1.789 -4.287 1.00 0.00 C ATOM 366 CE2 TYR A 24 4.737 3.913 -5.415 1.00 0.00 C ATOM 367 CZ TYR A 24 4.686 2.514 -5.431 1.00 0.00 C ATOM 368 OH TYR A 24 4.288 1.851 -6.572 1.00 0.00 O ATOM 0 H TYR A 24 5.784 3.478 0.423 1.00 0.00 H new ATOM 0 HA TYR A 24 7.686 3.302 -1.926 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.090 4.655 -1.161 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.200 5.624 -2.109 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.716 1.900 -2.248 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.179 5.665 -4.248 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.001 0.710 -4.298 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.464 4.473 -6.297 1.00 0.00 H new ATOM 0 HH TYR A 24 4.077 2.503 -7.272 1.00 0.00 H new ATOM 378 N GLY A 25 8.593 4.607 0.596 1.00 0.00 N ATOM 379 CA GLY A 25 9.543 5.550 1.258 1.00 0.00 C ATOM 380 C GLY A 25 10.370 4.799 2.308 1.00 0.00 C ATOM 381 O GLY A 25 10.565 5.278 3.408 1.00 0.00 O ATOM 0 H GLY A 25 8.391 3.757 1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.202 5.999 0.515 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.993 6.365 1.729 1.00 0.00 H new ATOM 385 N LEU A 26 10.853 3.625 1.975 1.00 0.00 N ATOM 386 CA LEU A 26 11.670 2.833 2.952 1.00 0.00 C ATOM 387 C LEU A 26 12.655 1.901 2.221 1.00 0.00 C ATOM 388 O LEU A 26 13.109 0.916 2.773 1.00 0.00 O ATOM 389 CB LEU A 26 10.644 2.014 3.743 1.00 0.00 C ATOM 390 CG LEU A 26 10.483 2.604 5.146 1.00 0.00 C ATOM 391 CD1 LEU A 26 9.038 2.422 5.615 1.00 0.00 C ATOM 392 CD2 LEU A 26 11.426 1.883 6.115 1.00 0.00 C ATOM 0 H LEU A 26 10.717 3.180 1.067 1.00 0.00 H new ATOM 0 HA LEU A 26 12.274 3.475 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.685 2.017 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.967 0.975 3.810 1.00 0.00 H new ATOM 0 HG LEU A 26 10.727 3.666 5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.924 2.842 6.614 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.365 2.934 4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.794 1.360 5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.312 2.303 7.114 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.182 0.821 6.138 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.456 2.011 5.783 1.00 0.00 H new ATOM 404 N SER A 27 12.988 2.202 0.986 1.00 0.00 N ATOM 405 CA SER A 27 13.939 1.329 0.225 1.00 0.00 C ATOM 406 C SER A 27 15.387 1.522 0.714 1.00 0.00 C ATOM 407 O SER A 27 16.045 0.554 1.049 1.00 0.00 O ATOM 408 CB SER A 27 13.797 1.755 -1.237 1.00 0.00 C ATOM 409 OG SER A 27 12.652 1.126 -1.796 1.00 0.00 O ATOM 0 H SER A 27 12.642 3.013 0.474 1.00 0.00 H new ATOM 0 HA SER A 27 13.711 0.272 0.365 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.702 2.839 -1.305 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.690 1.478 -1.798 1.00 0.00 H new ATOM 0 HG SER A 27 12.555 1.397 -2.733 1.00 0.00 H new ATOM 415 N PRO A 28 15.845 2.761 0.749 1.00 0.00 N ATOM 416 CA PRO A 28 17.234 3.040 1.212 1.00 0.00 C ATOM 417 C PRO A 28 17.368 2.831 2.730 1.00 0.00 C ATOM 418 O PRO A 28 18.460 2.833 3.265 1.00 0.00 O ATOM 419 CB PRO A 28 17.453 4.503 0.837 1.00 0.00 C ATOM 420 CG PRO A 28 16.083 5.098 0.778 1.00 0.00 C ATOM 421 CD PRO A 28 15.139 3.995 0.372 1.00 0.00 C ATOM 0 HA PRO A 28 17.969 2.374 0.761 1.00 0.00 H new ATOM 0 HB2 PRO A 28 18.072 5.011 1.576 1.00 0.00 H new ATOM 0 HB3 PRO A 28 17.963 4.592 -0.122 1.00 0.00 H new ATOM 0 HG2 PRO A 28 15.800 5.510 1.746 1.00 0.00 H new ATOM 0 HG3 PRO A 28 16.049 5.918 0.060 1.00 0.00 H new ATOM 0 HD2 PRO A 28 14.182 4.080 0.887 1.00 0.00 H new ATOM 0 HD3 PRO A 28 14.929 4.023 -0.697 1.00 0.00 H new ATOM 429 N ALA A 29 16.270 2.644 3.422 1.00 0.00 N ATOM 430 CA ALA A 29 16.334 2.426 4.900 1.00 0.00 C ATOM 431 C ALA A 29 16.363 0.924 5.226 1.00 0.00 C ATOM 432 O ALA A 29 16.578 0.537 6.358 1.00 0.00 O ATOM 433 CB ALA A 29 15.060 3.072 5.452 1.00 0.00 C ATOM 0 H ALA A 29 15.330 2.633 3.025 1.00 0.00 H new ATOM 0 HA ALA A 29 17.235 2.857 5.338 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.032 2.954 6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 29 15.052 4.133 5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.187 2.589 5.012 1.00 0.00 H new ATOM 439 N ILE A 30 16.147 0.074 4.245 1.00 0.00 N ATOM 440 CA ILE A 30 16.165 -1.401 4.502 1.00 0.00 C ATOM 441 C ILE A 30 17.283 -2.074 3.692 1.00 0.00 C ATOM 442 O ILE A 30 17.922 -2.999 4.157 1.00 0.00 O ATOM 443 CB ILE A 30 14.785 -1.903 4.055 1.00 0.00 C ATOM 444 CG1 ILE A 30 13.697 -1.322 4.973 1.00 0.00 C ATOM 445 CG2 ILE A 30 14.741 -3.434 4.125 1.00 0.00 C ATOM 446 CD1 ILE A 30 13.962 -1.724 6.429 1.00 0.00 C ATOM 0 H ILE A 30 15.959 0.341 3.279 1.00 0.00 H new ATOM 0 HA ILE A 30 16.359 -1.634 5.549 1.00 0.00 H new ATOM 0 HB ILE A 30 14.606 -1.580 3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 30 13.679 -0.236 4.886 1.00 0.00 H new ATOM 0 HG13 ILE A 30 12.717 -1.683 4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 30 13.759 -3.785 3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.505 -3.850 3.469 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.927 -3.757 5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 30 13.185 -1.306 7.069 1.00 0.00 H new ATOM 0 HD12 ILE A 30 13.956 -2.811 6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 30 14.934 -1.341 6.741 1.00 0.00 H new ATOM 458 N THR A 31 17.522 -1.618 2.487 1.00 0.00 N ATOM 459 CA THR A 31 18.599 -2.231 1.640 1.00 0.00 C ATOM 460 C THR A 31 19.988 -2.041 2.279 1.00 0.00 C ATOM 461 O THR A 31 20.900 -2.802 2.018 1.00 0.00 O ATOM 462 CB THR A 31 18.519 -1.506 0.286 1.00 0.00 C ATOM 463 OG1 THR A 31 19.337 -2.184 -0.658 1.00 0.00 O ATOM 464 CG2 THR A 31 19.001 -0.057 0.430 1.00 0.00 C ATOM 0 H THR A 31 17.018 -0.846 2.050 1.00 0.00 H new ATOM 0 HA THR A 31 18.457 -3.307 1.534 1.00 0.00 H new ATOM 0 HB THR A 31 17.484 -1.502 -0.055 1.00 0.00 H new ATOM 0 HG1 THR A 31 19.287 -1.726 -1.523 1.00 0.00 H new ATOM 0 HG21 THR A 31 18.939 0.445 -0.536 1.00 0.00 H new ATOM 0 HG22 THR A 31 18.373 0.466 1.151 1.00 0.00 H new ATOM 0 HG23 THR A 31 20.034 -0.050 0.777 1.00 0.00 H new ATOM 472 N LYS A 32 20.155 -1.037 3.110 1.00 0.00 N ATOM 473 CA LYS A 32 21.486 -0.810 3.756 1.00 0.00 C ATOM 474 C LYS A 32 21.512 -1.376 5.185 1.00 0.00 C ATOM 475 O LYS A 32 22.528 -1.331 5.853 1.00 0.00 O ATOM 476 CB LYS A 32 21.661 0.711 3.784 1.00 0.00 C ATOM 477 CG LYS A 32 22.189 1.197 2.431 1.00 0.00 C ATOM 478 CD LYS A 32 23.720 1.225 2.459 1.00 0.00 C ATOM 479 CE LYS A 32 24.234 2.216 1.408 1.00 0.00 C ATOM 480 NZ LYS A 32 25.705 2.293 1.635 1.00 0.00 N ATOM 0 H LYS A 32 19.429 -0.368 3.367 1.00 0.00 H new ATOM 0 HA LYS A 32 22.287 -1.310 3.211 1.00 0.00 H new ATOM 0 HB2 LYS A 32 20.709 1.192 4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 32 22.354 0.992 4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.841 0.538 1.635 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.801 2.192 2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 32 24.071 1.515 3.449 1.00 0.00 H new ATOM 0 HD3 LYS A 32 24.116 0.229 2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 32 24.008 1.873 0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.765 3.193 1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 26.128 2.953 0.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 25.890 2.629 2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 26.125 1.350 1.510 1.00 0.00 H new ATOM 494 N TYR A 33 20.409 -1.905 5.657 1.00 0.00 N ATOM 495 CA TYR A 33 20.372 -2.468 7.044 1.00 0.00 C ATOM 496 C TYR A 33 20.311 -4.005 7.018 1.00 0.00 C ATOM 497 O TYR A 33 20.270 -4.639 8.054 1.00 0.00 O ATOM 498 CB TYR A 33 19.094 -1.896 7.665 1.00 0.00 C ATOM 499 CG TYR A 33 19.348 -0.482 8.137 1.00 0.00 C ATOM 500 CD1 TYR A 33 19.387 0.568 7.212 1.00 0.00 C ATOM 501 CD2 TYR A 33 19.540 -0.224 9.498 1.00 0.00 C ATOM 502 CE1 TYR A 33 19.619 1.877 7.649 1.00 0.00 C ATOM 503 CE2 TYR A 33 19.773 1.085 9.936 1.00 0.00 C ATOM 504 CZ TYR A 33 19.812 2.136 9.012 1.00 0.00 C ATOM 505 OH TYR A 33 20.039 3.426 9.444 1.00 0.00 O ATOM 0 H TYR A 33 19.532 -1.971 5.141 1.00 0.00 H new ATOM 0 HA TYR A 33 21.266 -2.205 7.610 1.00 0.00 H new ATOM 0 HB2 TYR A 33 18.286 -1.906 6.933 1.00 0.00 H new ATOM 0 HB3 TYR A 33 18.774 -2.517 8.502 1.00 0.00 H new ATOM 0 HD1 TYR A 33 19.238 0.368 6.161 1.00 0.00 H new ATOM 0 HD2 TYR A 33 19.509 -1.035 10.211 1.00 0.00 H new ATOM 0 HE1 TYR A 33 19.649 2.687 6.936 1.00 0.00 H new ATOM 0 HE2 TYR A 33 19.923 1.284 10.987 1.00 0.00 H new ATOM 0 HH TYR A 33 20.151 3.430 10.418 1.00 0.00 H new ATOM 515 N VAL A 34 20.305 -4.609 5.851 1.00 0.00 N ATOM 516 CA VAL A 34 20.246 -6.102 5.779 1.00 0.00 C ATOM 517 C VAL A 34 21.467 -6.638 5.019 1.00 0.00 C ATOM 518 O VAL A 34 22.235 -7.417 5.547 1.00 0.00 O ATOM 519 CB VAL A 34 18.949 -6.420 5.024 1.00 0.00 C ATOM 520 CG1 VAL A 34 18.747 -7.937 4.961 1.00 0.00 C ATOM 521 CG2 VAL A 34 17.758 -5.786 5.750 1.00 0.00 C ATOM 0 H VAL A 34 20.338 -4.133 4.950 1.00 0.00 H new ATOM 0 HA VAL A 34 20.257 -6.566 6.765 1.00 0.00 H new ATOM 0 HB VAL A 34 19.019 -6.017 4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.825 -8.159 4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 34 19.589 -8.395 4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 34 18.683 -8.338 5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 34 16.839 -6.015 5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 34 17.694 -6.186 6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 34 17.893 -4.705 5.795 1.00 0.00 H new ATOM 531 N VAL A 35 21.641 -6.219 3.782 1.00 0.00 N ATOM 532 CA VAL A 35 22.806 -6.682 2.951 1.00 0.00 C ATOM 533 C VAL A 35 22.858 -8.225 2.857 1.00 0.00 C ATOM 534 O VAL A 35 23.885 -8.798 2.541 1.00 0.00 O ATOM 535 CB VAL A 35 24.052 -6.081 3.644 1.00 0.00 C ATOM 536 CG1 VAL A 35 24.844 -7.149 4.413 1.00 0.00 C ATOM 537 CG2 VAL A 35 24.960 -5.454 2.583 1.00 0.00 C ATOM 0 H VAL A 35 21.016 -5.567 3.307 1.00 0.00 H new ATOM 0 HA VAL A 35 22.735 -6.350 1.915 1.00 0.00 H new ATOM 0 HB VAL A 35 23.714 -5.330 4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 35 25.711 -6.689 4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 35 24.207 -7.594 5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 35 25.176 -7.924 3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 35 25.841 -5.028 3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 35 25.269 -6.219 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 35 24.417 -4.668 2.058 1.00 0.00 H new ATOM 547 N ARG A 36 21.750 -8.896 3.109 1.00 0.00 N ATOM 548 CA ARG A 36 21.720 -10.394 3.029 1.00 0.00 C ATOM 549 C ARG A 36 22.781 -11.005 3.967 1.00 0.00 C ATOM 550 O ARG A 36 22.739 -10.697 5.148 1.00 0.00 O ATOM 551 CB ARG A 36 22.005 -10.725 1.555 1.00 0.00 C ATOM 552 CG ARG A 36 21.374 -12.076 1.200 1.00 0.00 C ATOM 553 CD ARG A 36 22.329 -12.867 0.300 1.00 0.00 C ATOM 554 NE ARG A 36 23.329 -13.471 1.228 1.00 0.00 N ATOM 555 CZ ARG A 36 23.842 -14.642 0.964 1.00 0.00 C ATOM 556 NH1 ARG A 36 23.191 -15.728 1.291 1.00 0.00 N ATOM 557 NH2 ARG A 36 25.005 -14.727 0.372 1.00 0.00 N ATOM 558 OXT ARG A 36 23.611 -11.771 3.497 1.00 0.00 O ATOM 0 H ARG A 36 20.863 -8.464 3.368 1.00 0.00 H new ATOM 0 HA ARG A 36 20.763 -10.808 3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 36 21.601 -9.943 0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 36 23.080 -10.757 1.380 1.00 0.00 H new ATOM 0 HG2 ARG A 36 21.163 -12.640 2.108 1.00 0.00 H new ATOM 0 HG3 ARG A 36 20.422 -11.922 0.692 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.797 -13.636 -0.260 1.00 0.00 H new ATOM 0 HD3 ARG A 36 22.811 -12.217 -0.430 1.00 0.00 H new ATOM 0 HE ARG A 36 23.612 -12.969 2.069 1.00 0.00 H new ATOM 0 HH11 ARG A 36 22.284 -15.659 1.752 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.591 -16.644 1.085 1.00 0.00 H new ATOM 0 HH21 ARG A 36 25.511 -13.879 0.117 1.00 0.00 H new ATOM 0 HH22 ARG A 36 25.406 -15.642 0.165 1.00 0.00 H new TER 572 ARG A 36