USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 280 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 NoAdj-H: A 214 HIS HE2 : A 214 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 218 HIS HE2 : A 218 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD Single : A 186 SER OG : rot 180:sc= 0 USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 190 SER OG : rot 180:sc= 0 USER MOD Single : A 194 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00482) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 SER OG : rot 180:sc= 0 USER MOD Single : A 207 GLN : amide:sc= -0.0235 X(o=-0.024,f=0) USER MOD Single : A 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 SER OG : rot -170:sc= -0.752 USER MOD Single : A 219 THR OG1 : rot 180:sc= 0 USER MOD Single : A 221 SER OG : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 225 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 185 0.029 17.847 3.787 1.00 0.00 N ATOM 2 CA GLY A 185 0.316 19.173 3.273 1.00 0.00 C ATOM 3 C GLY A 185 1.135 19.136 1.998 1.00 0.00 C ATOM 4 O GLY A 185 1.986 19.997 1.773 1.00 0.00 O ATOM 0 HA2 GLY A 185 -0.621 19.697 3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 185 0.853 19.744 4.030 1.00 0.00 H new ATOM 8 N SER A 186 0.879 18.135 1.161 1.00 0.00 N ATOM 9 CA SER A 186 1.603 17.986 -0.096 1.00 0.00 C ATOM 10 C SER A 186 0.910 18.754 -1.217 1.00 0.00 C ATOM 11 O SER A 186 1.555 19.454 -1.997 1.00 0.00 O ATOM 12 CB SER A 186 1.718 16.507 -0.470 1.00 0.00 C ATOM 13 OG SER A 186 2.612 15.830 0.396 1.00 0.00 O ATOM 0 H SER A 186 0.176 17.416 1.331 1.00 0.00 H new ATOM 0 HA SER A 186 2.603 18.398 0.038 1.00 0.00 H new ATOM 0 HB2 SER A 186 0.735 16.039 -0.421 1.00 0.00 H new ATOM 0 HB3 SER A 186 2.064 16.415 -1.499 1.00 0.00 H new ATOM 0 HG SER A 186 2.667 14.886 0.137 1.00 0.00 H new ATOM 19 N SER A 187 -0.411 18.617 -1.290 1.00 0.00 N ATOM 20 CA SER A 187 -1.193 19.295 -2.318 1.00 0.00 C ATOM 21 C SER A 187 -2.324 20.106 -1.693 1.00 0.00 C ATOM 22 O SER A 187 -2.552 21.258 -2.059 1.00 0.00 O ATOM 23 CB SER A 187 -1.766 18.277 -3.306 1.00 0.00 C ATOM 24 OG SER A 187 -2.143 18.901 -4.521 1.00 0.00 O ATOM 0 H SER A 187 -0.961 18.044 -0.651 1.00 0.00 H new ATOM 0 HA SER A 187 -0.532 19.977 -2.852 1.00 0.00 H new ATOM 0 HB2 SER A 187 -1.025 17.503 -3.506 1.00 0.00 H new ATOM 0 HB3 SER A 187 -2.631 17.783 -2.863 1.00 0.00 H new ATOM 0 HG SER A 187 -2.504 18.229 -5.136 1.00 0.00 H new ATOM 30 N GLY A 188 -3.030 19.495 -0.746 1.00 0.00 N ATOM 31 CA GLY A 188 -4.128 20.174 -0.085 1.00 0.00 C ATOM 32 C GLY A 188 -5.287 19.245 0.217 1.00 0.00 C ATOM 33 O GLY A 188 -6.372 19.393 -0.345 1.00 0.00 O ATOM 0 H GLY A 188 -2.861 18.542 -0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 188 -3.770 20.617 0.844 1.00 0.00 H new ATOM 0 HA3 GLY A 188 -4.477 20.992 -0.715 1.00 0.00 H new ATOM 37 N SER A 189 -5.057 18.283 1.105 1.00 0.00 N ATOM 38 CA SER A 189 -6.089 17.322 1.476 1.00 0.00 C ATOM 39 C SER A 189 -5.959 16.925 2.943 1.00 0.00 C ATOM 40 O SER A 189 -5.033 17.351 3.634 1.00 0.00 O ATOM 41 CB SER A 189 -6.001 16.079 0.589 1.00 0.00 C ATOM 42 OG SER A 189 -4.712 15.494 0.658 1.00 0.00 O ATOM 0 H SER A 189 -4.165 18.148 1.581 1.00 0.00 H new ATOM 0 HA SER A 189 -7.060 17.795 1.330 1.00 0.00 H new ATOM 0 HB2 SER A 189 -6.751 15.352 0.901 1.00 0.00 H new ATOM 0 HB3 SER A 189 -6.227 16.348 -0.443 1.00 0.00 H new ATOM 0 HG SER A 189 -4.682 14.700 0.084 1.00 0.00 H new ATOM 48 N SER A 190 -6.894 16.105 3.413 1.00 0.00 N ATOM 49 CA SER A 190 -6.887 15.652 4.799 1.00 0.00 C ATOM 50 C SER A 190 -6.665 14.144 4.876 1.00 0.00 C ATOM 51 O SER A 190 -6.054 13.643 5.819 1.00 0.00 O ATOM 52 CB SER A 190 -8.204 16.021 5.485 1.00 0.00 C ATOM 53 OG SER A 190 -8.158 17.339 6.002 1.00 0.00 O ATOM 0 H SER A 190 -7.666 15.741 2.854 1.00 0.00 H new ATOM 0 HA SER A 190 -6.066 16.150 5.314 1.00 0.00 H new ATOM 0 HB2 SER A 190 -9.025 15.935 4.773 1.00 0.00 H new ATOM 0 HB3 SER A 190 -8.407 15.317 6.292 1.00 0.00 H new ATOM 0 HG SER A 190 -9.012 17.551 6.434 1.00 0.00 H new ATOM 59 N GLY A 191 -7.167 13.426 3.876 1.00 0.00 N ATOM 60 CA GLY A 191 -7.015 11.983 3.849 1.00 0.00 C ATOM 61 C GLY A 191 -5.710 11.550 3.211 1.00 0.00 C ATOM 62 O GLY A 191 -4.651 12.097 3.514 1.00 0.00 O ATOM 0 H GLY A 191 -7.676 13.818 3.084 1.00 0.00 H new ATOM 0 HA2 GLY A 191 -7.064 11.596 4.867 1.00 0.00 H new ATOM 0 HA3 GLY A 191 -7.848 11.543 3.300 1.00 0.00 H new ATOM 66 N GLY A 192 -5.786 10.562 2.324 1.00 0.00 N ATOM 67 CA GLY A 192 -4.594 10.071 1.657 1.00 0.00 C ATOM 68 C GLY A 192 -4.817 9.827 0.178 1.00 0.00 C ATOM 69 O GLY A 192 -5.957 9.737 -0.278 1.00 0.00 O ATOM 0 H GLY A 192 -6.651 10.093 2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -3.786 10.792 1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -4.272 9.144 2.131 1.00 0.00 H new ATOM 73 N GLU A 193 -3.726 9.720 -0.574 1.00 0.00 N ATOM 74 CA GLU A 193 -3.809 9.487 -2.011 1.00 0.00 C ATOM 75 C GLU A 193 -4.667 8.262 -2.315 1.00 0.00 C ATOM 76 O GLU A 193 -5.708 8.364 -2.964 1.00 0.00 O ATOM 77 CB GLU A 193 -2.410 9.302 -2.602 1.00 0.00 C ATOM 78 CG GLU A 193 -1.897 10.524 -3.346 1.00 0.00 C ATOM 79 CD GLU A 193 -0.999 10.163 -4.512 1.00 0.00 C ATOM 80 OE1 GLU A 193 -1.528 9.738 -5.560 1.00 0.00 O ATOM 81 OE2 GLU A 193 0.235 10.307 -4.377 1.00 0.00 O ATOM 0 H GLU A 193 -2.775 9.791 -0.212 1.00 0.00 H new ATOM 0 HA GLU A 193 -4.276 10.359 -2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -1.715 9.058 -1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -2.422 8.451 -3.283 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -2.744 11.104 -3.711 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -1.348 11.162 -2.654 1.00 0.00 H new ATOM 88 N LYS A 194 -4.222 7.103 -1.842 1.00 0.00 N ATOM 89 CA LYS A 194 -4.947 5.857 -2.061 1.00 0.00 C ATOM 90 C LYS A 194 -5.438 5.274 -0.740 1.00 0.00 C ATOM 91 O LYS A 194 -4.872 5.523 0.325 1.00 0.00 O ATOM 92 CB LYS A 194 -4.054 4.842 -2.778 1.00 0.00 C ATOM 93 CG LYS A 194 -4.086 4.967 -4.291 1.00 0.00 C ATOM 94 CD LYS A 194 -3.739 6.375 -4.743 1.00 0.00 C ATOM 95 CE LYS A 194 -3.443 6.426 -6.234 1.00 0.00 C ATOM 96 NZ LYS A 194 -4.645 6.097 -7.049 1.00 0.00 N ATOM 0 H LYS A 194 -3.362 7.001 -1.304 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.813 6.075 -2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -3.027 4.966 -2.433 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -4.365 3.835 -2.498 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -3.383 4.260 -4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -5.077 4.700 -4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -4.566 7.046 -4.512 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -2.873 6.734 -4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -3.085 7.421 -6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -2.642 5.726 -6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -4.416 6.192 -8.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -4.941 5.120 -6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -5.418 6.749 -6.806 1.00 0.00 H new ATOM 110 N PRO A 195 -6.515 4.477 -0.807 1.00 0.00 N ATOM 111 CA PRO A 195 -7.104 3.840 0.375 1.00 0.00 C ATOM 112 C PRO A 195 -6.210 2.747 0.950 1.00 0.00 C ATOM 113 O PRO A 195 -6.263 2.453 2.145 1.00 0.00 O ATOM 114 CB PRO A 195 -8.407 3.239 -0.158 1.00 0.00 C ATOM 115 CG PRO A 195 -8.159 3.026 -1.612 1.00 0.00 C ATOM 116 CD PRO A 195 -7.240 4.136 -2.042 1.00 0.00 C ATOM 0 HA PRO A 195 -7.248 4.549 1.191 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -8.645 2.302 0.344 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -9.249 3.911 0.006 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -7.705 2.052 -1.792 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -9.092 3.052 -2.175 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -6.560 3.812 -2.830 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -7.795 4.990 -2.431 1.00 0.00 H new ATOM 124 N TYR A 196 -5.389 2.149 0.094 1.00 0.00 N ATOM 125 CA TYR A 196 -4.484 1.087 0.518 1.00 0.00 C ATOM 126 C TYR A 196 -3.186 1.666 1.073 1.00 0.00 C ATOM 127 O TYR A 196 -2.376 2.225 0.333 1.00 0.00 O ATOM 128 CB TYR A 196 -4.179 0.151 -0.653 1.00 0.00 C ATOM 129 CG TYR A 196 -5.392 -0.189 -1.488 1.00 0.00 C ATOM 130 CD1 TYR A 196 -6.209 -1.262 -1.156 1.00 0.00 C ATOM 131 CD2 TYR A 196 -5.720 0.562 -2.610 1.00 0.00 C ATOM 132 CE1 TYR A 196 -7.319 -1.578 -1.917 1.00 0.00 C ATOM 133 CE2 TYR A 196 -6.828 0.255 -3.376 1.00 0.00 C ATOM 134 CZ TYR A 196 -7.624 -0.816 -3.025 1.00 0.00 C ATOM 135 OH TYR A 196 -8.728 -1.126 -3.786 1.00 0.00 O ATOM 0 H TYR A 196 -5.331 2.381 -0.897 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.975 0.520 1.309 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -3.427 0.615 -1.292 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -3.744 -0.771 -0.267 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -5.973 -1.860 -0.288 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -5.098 1.400 -2.888 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -7.943 -2.416 -1.645 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -7.070 0.850 -4.244 1.00 0.00 H new ATOM 0 HH TYR A 196 -8.802 -0.491 -4.529 1.00 0.00 H new ATOM 145 N ARG A 197 -2.995 1.527 2.381 1.00 0.00 N ATOM 146 CA ARG A 197 -1.797 2.036 3.037 1.00 0.00 C ATOM 147 C ARG A 197 -1.368 1.116 4.176 1.00 0.00 C ATOM 148 O ARG A 197 -1.977 1.111 5.246 1.00 0.00 O ATOM 149 CB ARG A 197 -2.043 3.448 3.571 1.00 0.00 C ATOM 150 CG ARG A 197 -0.907 3.980 4.430 1.00 0.00 C ATOM 151 CD ARG A 197 -0.377 5.301 3.896 1.00 0.00 C ATOM 152 NE ARG A 197 0.146 6.152 4.962 1.00 0.00 N ATOM 153 CZ ARG A 197 0.848 7.258 4.742 1.00 0.00 C ATOM 154 NH1 ARG A 197 1.109 7.646 3.501 1.00 0.00 N ATOM 155 NH2 ARG A 197 1.290 7.980 5.764 1.00 0.00 N ATOM 0 H ARG A 197 -3.655 1.066 3.007 1.00 0.00 H new ATOM 0 HA ARG A 197 -0.995 2.069 2.299 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -2.199 4.124 2.730 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -2.962 3.451 4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -1.256 4.114 5.454 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -0.099 3.249 4.461 1.00 0.00 H new ATOM 0 HD2 ARG A 197 0.410 5.108 3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -1.175 5.826 3.371 1.00 0.00 H new ATOM 0 HE ARG A 197 -0.038 5.882 5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 197 0.770 7.095 2.712 1.00 0.00 H new ATOM 0 HH12 ARG A 197 1.648 8.496 3.335 1.00 0.00 H new ATOM 0 HH21 ARG A 197 1.091 7.686 6.720 1.00 0.00 H new ATOM 0 HH22 ARG A 197 1.829 8.829 5.593 1.00 0.00 H new ATOM 169 N CYS A 198 -0.317 0.339 3.939 1.00 0.00 N ATOM 170 CA CYS A 198 0.194 -0.586 4.944 1.00 0.00 C ATOM 171 C CYS A 198 0.691 0.168 6.174 1.00 0.00 C ATOM 172 O CYS A 198 1.504 1.086 6.065 1.00 0.00 O ATOM 173 CB CYS A 198 1.325 -1.433 4.359 1.00 0.00 C ATOM 174 SG CYS A 198 1.721 -2.920 5.335 1.00 0.00 S ATOM 0 H CYS A 198 0.198 0.331 3.059 1.00 0.00 H new ATOM 0 HA CYS A 198 -0.622 -1.242 5.247 1.00 0.00 H new ATOM 0 HB2 CYS A 198 1.052 -1.737 3.348 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.220 -0.817 4.276 1.00 0.00 H new ATOM 179 N ASP A 199 0.198 -0.227 7.342 1.00 0.00 N ATOM 180 CA ASP A 199 0.593 0.410 8.594 1.00 0.00 C ATOM 181 C ASP A 199 1.816 -0.278 9.191 1.00 0.00 C ATOM 182 O ASP A 199 2.405 0.210 10.155 1.00 0.00 O ATOM 183 CB ASP A 199 -0.564 0.379 9.593 1.00 0.00 C ATOM 184 CG ASP A 199 -0.833 1.737 10.211 1.00 0.00 C ATOM 185 OD1 ASP A 199 -0.131 2.098 11.178 1.00 0.00 O ATOM 186 OD2 ASP A 199 -1.745 2.440 9.727 1.00 0.00 O ATOM 0 H ASP A 199 -0.476 -0.985 7.449 1.00 0.00 H new ATOM 0 HA ASP A 199 0.851 1.447 8.380 1.00 0.00 H new ATOM 0 HB2 ASP A 199 -1.465 0.027 9.090 1.00 0.00 H new ATOM 0 HB3 ASP A 199 -0.339 -0.338 10.383 1.00 0.00 H new ATOM 191 N GLN A 200 2.191 -1.415 8.612 1.00 0.00 N ATOM 192 CA GLN A 200 3.343 -2.170 9.090 1.00 0.00 C ATOM 193 C GLN A 200 4.646 -1.513 8.648 1.00 0.00 C ATOM 194 O GLN A 200 5.629 -1.497 9.390 1.00 0.00 O ATOM 195 CB GLN A 200 3.284 -3.610 8.575 1.00 0.00 C ATOM 196 CG GLN A 200 2.013 -4.344 8.968 1.00 0.00 C ATOM 197 CD GLN A 200 2.216 -5.273 10.149 1.00 0.00 C ATOM 198 OE1 GLN A 200 2.803 -4.890 11.161 1.00 0.00 O ATOM 199 NE2 GLN A 200 1.732 -6.503 10.025 1.00 0.00 N ATOM 0 H GLN A 200 1.714 -1.832 7.813 1.00 0.00 H new ATOM 0 HA GLN A 200 3.313 -2.179 10.180 1.00 0.00 H new ATOM 0 HB2 GLN A 200 3.368 -3.602 7.488 1.00 0.00 H new ATOM 0 HB3 GLN A 200 4.144 -4.160 8.957 1.00 0.00 H new ATOM 0 HG2 GLN A 200 1.239 -3.617 9.212 1.00 0.00 H new ATOM 0 HG3 GLN A 200 1.652 -4.920 8.116 1.00 0.00 H new ATOM 0 HE21 GLN A 200 1.252 -6.778 9.168 1.00 0.00 H new ATOM 0 HE22 GLN A 200 1.840 -7.173 10.787 1.00 0.00 H new ATOM 208 N CYS A 201 4.648 -0.971 7.434 1.00 0.00 N ATOM 209 CA CYS A 201 5.831 -0.313 6.892 1.00 0.00 C ATOM 210 C CYS A 201 5.536 1.147 6.559 1.00 0.00 C ATOM 211 O CYS A 201 6.406 2.008 6.673 1.00 0.00 O ATOM 212 CB CYS A 201 6.318 -1.045 5.640 1.00 0.00 C ATOM 213 SG CYS A 201 5.091 -1.118 4.296 1.00 0.00 S ATOM 0 H CYS A 201 3.843 -0.975 6.807 1.00 0.00 H new ATOM 0 HA CYS A 201 6.614 -0.344 7.650 1.00 0.00 H new ATOM 0 HB2 CYS A 201 7.217 -0.552 5.270 1.00 0.00 H new ATOM 0 HB3 CYS A 201 6.602 -2.061 5.914 1.00 0.00 H new ATOM 218 N GLY A 202 4.301 1.416 6.146 1.00 0.00 N ATOM 219 CA GLY A 202 3.912 2.772 5.803 1.00 0.00 C ATOM 220 C GLY A 202 3.983 3.035 4.312 1.00 0.00 C ATOM 221 O GLY A 202 4.435 4.096 3.881 1.00 0.00 O ATOM 0 H GLY A 202 3.563 0.719 6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 202 2.896 2.955 6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 202 4.561 3.476 6.324 1.00 0.00 H new ATOM 225 N LYS A 203 3.536 2.066 3.520 1.00 0.00 N ATOM 226 CA LYS A 203 3.550 2.197 2.068 1.00 0.00 C ATOM 227 C LYS A 203 2.159 2.529 1.538 1.00 0.00 C ATOM 228 O LYS A 203 1.208 2.665 2.306 1.00 0.00 O ATOM 229 CB LYS A 203 4.058 0.904 1.424 1.00 0.00 C ATOM 230 CG LYS A 203 5.542 0.925 1.104 1.00 0.00 C ATOM 231 CD LYS A 203 5.902 -0.114 0.056 1.00 0.00 C ATOM 232 CE LYS A 203 7.362 -0.528 0.160 1.00 0.00 C ATOM 233 NZ LYS A 203 8.236 0.300 -0.717 1.00 0.00 N ATOM 0 H LYS A 203 3.159 1.181 3.860 1.00 0.00 H new ATOM 0 HA LYS A 203 4.223 3.014 1.808 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.851 0.069 2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.500 0.722 0.506 1.00 0.00 H new ATOM 0 HG2 LYS A 203 5.824 1.916 0.747 1.00 0.00 H new ATOM 0 HG3 LYS A 203 6.114 0.739 2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 203 5.265 -0.990 0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 203 5.707 0.288 -0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 203 7.693 -0.436 1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 203 7.462 -1.578 -0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 9.223 -0.013 -0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 7.936 0.192 -1.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 8.160 1.299 -0.439 1.00 0.00 H new ATOM 247 N ALA A 204 2.049 2.659 0.220 1.00 0.00 N ATOM 248 CA ALA A 204 0.773 2.972 -0.413 1.00 0.00 C ATOM 249 C ALA A 204 0.623 2.237 -1.740 1.00 0.00 C ATOM 250 O ALA A 204 1.589 2.083 -2.488 1.00 0.00 O ATOM 251 CB ALA A 204 0.642 4.473 -0.621 1.00 0.00 C ATOM 0 H ALA A 204 2.828 2.553 -0.430 1.00 0.00 H new ATOM 0 HA ALA A 204 -0.025 2.637 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.315 4.693 -1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 204 0.695 4.980 0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 204 1.452 4.824 -1.261 1.00 0.00 H new ATOM 257 N PHE A 205 -0.593 1.784 -2.027 1.00 0.00 N ATOM 258 CA PHE A 205 -0.868 1.063 -3.264 1.00 0.00 C ATOM 259 C PHE A 205 -2.164 1.554 -3.903 1.00 0.00 C ATOM 260 O PHE A 205 -2.986 2.197 -3.250 1.00 0.00 O ATOM 261 CB PHE A 205 -0.958 -0.441 -2.994 1.00 0.00 C ATOM 262 CG PHE A 205 0.153 -0.961 -2.126 1.00 0.00 C ATOM 263 CD1 PHE A 205 0.056 -0.902 -0.745 1.00 0.00 C ATOM 264 CD2 PHE A 205 1.292 -1.510 -2.691 1.00 0.00 C ATOM 265 CE1 PHE A 205 1.076 -1.379 0.055 1.00 0.00 C ATOM 266 CE2 PHE A 205 2.316 -1.989 -1.896 1.00 0.00 C ATOM 267 CZ PHE A 205 2.207 -1.924 -0.520 1.00 0.00 C ATOM 0 H PHE A 205 -1.404 1.904 -1.420 1.00 0.00 H new ATOM 0 HA PHE A 205 -0.047 1.253 -3.956 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -1.914 -0.660 -2.518 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -0.946 -0.974 -3.945 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -0.827 -0.478 -0.289 1.00 0.00 H new ATOM 0 HD2 PHE A 205 1.381 -1.564 -3.766 1.00 0.00 H new ATOM 0 HE1 PHE A 205 0.989 -1.326 1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 205 3.200 -2.413 -2.349 1.00 0.00 H new ATOM 0 HZ PHE A 205 3.005 -2.299 0.104 1.00 0.00 H new ATOM 277 N SER A 206 -2.338 1.247 -5.184 1.00 0.00 N ATOM 278 CA SER A 206 -3.531 1.661 -5.914 1.00 0.00 C ATOM 279 C SER A 206 -4.561 0.536 -5.953 1.00 0.00 C ATOM 280 O SER A 206 -5.755 0.781 -6.125 1.00 0.00 O ATOM 281 CB SER A 206 -3.164 2.081 -7.338 1.00 0.00 C ATOM 282 OG SER A 206 -1.773 2.328 -7.455 1.00 0.00 O ATOM 0 H SER A 206 -1.668 0.713 -5.738 1.00 0.00 H new ATOM 0 HA SER A 206 -3.968 2.513 -5.393 1.00 0.00 H new ATOM 0 HB2 SER A 206 -3.458 1.299 -8.038 1.00 0.00 H new ATOM 0 HB3 SER A 206 -3.720 2.978 -7.611 1.00 0.00 H new ATOM 0 HG SER A 206 -1.564 2.593 -8.375 1.00 0.00 H new ATOM 288 N GLN A 207 -4.090 -0.696 -5.791 1.00 0.00 N ATOM 289 CA GLN A 207 -4.969 -1.858 -5.808 1.00 0.00 C ATOM 290 C GLN A 207 -4.788 -2.697 -4.547 1.00 0.00 C ATOM 291 O GLN A 207 -3.709 -2.722 -3.955 1.00 0.00 O ATOM 292 CB GLN A 207 -4.695 -2.713 -7.047 1.00 0.00 C ATOM 293 CG GLN A 207 -5.224 -2.104 -8.335 1.00 0.00 C ATOM 294 CD GLN A 207 -6.705 -2.360 -8.537 1.00 0.00 C ATOM 295 OE1 GLN A 207 -7.512 -1.430 -8.544 1.00 0.00 O ATOM 296 NE2 GLN A 207 -7.070 -3.626 -8.701 1.00 0.00 N ATOM 0 H GLN A 207 -3.104 -0.915 -5.646 1.00 0.00 H new ATOM 0 HA GLN A 207 -5.999 -1.502 -5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 207 -3.620 -2.866 -7.142 1.00 0.00 H new ATOM 0 HB3 GLN A 207 -5.146 -3.695 -6.907 1.00 0.00 H new ATOM 0 HG2 GLN A 207 -5.043 -1.029 -8.325 1.00 0.00 H new ATOM 0 HG3 GLN A 207 -4.670 -2.513 -9.180 1.00 0.00 H new ATOM 0 HE21 GLN A 207 -6.367 -4.365 -8.688 1.00 0.00 H new ATOM 0 HE22 GLN A 207 -8.053 -3.859 -8.840 1.00 0.00 H new ATOM 305 N LYS A 208 -5.852 -3.381 -4.140 1.00 0.00 N ATOM 306 CA LYS A 208 -5.811 -4.222 -2.950 1.00 0.00 C ATOM 307 C LYS A 208 -4.879 -5.412 -3.155 1.00 0.00 C ATOM 308 O LYS A 208 -3.961 -5.637 -2.367 1.00 0.00 O ATOM 309 CB LYS A 208 -7.217 -4.716 -2.601 1.00 0.00 C ATOM 310 CG LYS A 208 -7.434 -4.934 -1.114 1.00 0.00 C ATOM 311 CD LYS A 208 -7.082 -6.353 -0.700 1.00 0.00 C ATOM 312 CE LYS A 208 -6.587 -6.408 0.737 1.00 0.00 C ATOM 313 NZ LYS A 208 -7.709 -6.549 1.705 1.00 0.00 N ATOM 0 H LYS A 208 -6.753 -3.369 -4.617 1.00 0.00 H new ATOM 0 HA LYS A 208 -5.428 -3.622 -2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -7.947 -3.993 -2.964 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -7.405 -5.651 -3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -6.825 -4.228 -0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -8.475 -4.729 -0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -7.958 -6.993 -0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -6.314 -6.747 -1.366 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -5.900 -7.246 0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -6.025 -5.502 0.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -7.330 -6.583 2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -8.351 -5.736 1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -8.231 -7.427 1.507 1.00 0.00 H new ATOM 327 N GLY A 209 -5.120 -6.170 -4.221 1.00 0.00 N ATOM 328 CA GLY A 209 -4.293 -7.327 -4.511 1.00 0.00 C ATOM 329 C GLY A 209 -2.812 -7.016 -4.425 1.00 0.00 C ATOM 330 O GLY A 209 -2.046 -7.770 -3.825 1.00 0.00 O ATOM 0 H GLY A 209 -5.873 -6.003 -4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -4.534 -8.127 -3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -4.526 -7.696 -5.510 1.00 0.00 H new ATOM 334 N SER A 210 -2.406 -5.903 -5.028 1.00 0.00 N ATOM 335 CA SER A 210 -1.006 -5.497 -5.021 1.00 0.00 C ATOM 336 C SER A 210 -0.446 -5.498 -3.602 1.00 0.00 C ATOM 337 O SER A 210 0.697 -5.897 -3.373 1.00 0.00 O ATOM 338 CB SER A 210 -0.853 -4.106 -5.641 1.00 0.00 C ATOM 339 OG SER A 210 -1.663 -3.971 -6.796 1.00 0.00 O ATOM 0 H SER A 210 -3.027 -5.267 -5.528 1.00 0.00 H new ATOM 0 HA SER A 210 -0.442 -6.216 -5.615 1.00 0.00 H new ATOM 0 HB2 SER A 210 -1.128 -3.346 -4.909 1.00 0.00 H new ATOM 0 HB3 SER A 210 0.191 -3.934 -5.903 1.00 0.00 H new ATOM 0 HG SER A 210 -1.433 -3.140 -7.262 1.00 0.00 H new ATOM 345 N LEU A 211 -1.259 -5.048 -2.652 1.00 0.00 N ATOM 346 CA LEU A 211 -0.846 -4.997 -1.254 1.00 0.00 C ATOM 347 C LEU A 211 -0.748 -6.399 -0.663 1.00 0.00 C ATOM 348 O LEU A 211 0.080 -6.659 0.210 1.00 0.00 O ATOM 349 CB LEU A 211 -1.833 -4.156 -0.442 1.00 0.00 C ATOM 350 CG LEU A 211 -1.771 -4.330 1.076 1.00 0.00 C ATOM 351 CD1 LEU A 211 -0.348 -4.139 1.578 1.00 0.00 C ATOM 352 CD2 LEU A 211 -2.716 -3.354 1.763 1.00 0.00 C ATOM 0 H LEU A 211 -2.207 -4.714 -2.824 1.00 0.00 H new ATOM 0 HA LEU A 211 0.140 -4.535 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.662 -3.105 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -2.843 -4.395 -0.774 1.00 0.00 H new ATOM 0 HG LEU A 211 -2.087 -5.344 1.319 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -0.324 -4.267 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 211 0.305 -4.877 1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -0.004 -3.137 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -2.659 -3.492 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -2.430 -2.333 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -3.736 -3.538 1.427 1.00 0.00 H new ATOM 364 N ILE A 212 -1.598 -7.300 -1.145 1.00 0.00 N ATOM 365 CA ILE A 212 -1.605 -8.677 -0.667 1.00 0.00 C ATOM 366 C ILE A 212 -0.270 -9.360 -0.942 1.00 0.00 C ATOM 367 O ILE A 212 0.167 -10.223 -0.180 1.00 0.00 O ATOM 368 CB ILE A 212 -2.732 -9.495 -1.323 1.00 0.00 C ATOM 369 CG1 ILE A 212 -4.061 -8.742 -1.229 1.00 0.00 C ATOM 370 CG2 ILE A 212 -2.845 -10.863 -0.666 1.00 0.00 C ATOM 371 CD1 ILE A 212 -5.242 -9.532 -1.746 1.00 0.00 C ATOM 0 H ILE A 212 -2.291 -7.101 -1.867 1.00 0.00 H new ATOM 0 HA ILE A 212 -1.776 -8.637 0.409 1.00 0.00 H new ATOM 0 HB ILE A 212 -2.491 -9.638 -2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 212 -4.243 -8.471 -0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 212 -3.983 -7.812 -1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 212 -3.646 -11.430 -1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 212 -1.904 -11.400 -0.780 1.00 0.00 H new ATOM 0 HG23 ILE A 212 -3.066 -10.740 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 212 -6.149 -8.936 -1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 212 -5.082 -9.780 -2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 212 -5.347 -10.450 -1.168 1.00 0.00 H new ATOM 383 N VAL A 213 0.377 -8.967 -2.035 1.00 0.00 N ATOM 384 CA VAL A 213 1.664 -9.540 -2.409 1.00 0.00 C ATOM 385 C VAL A 213 2.796 -8.931 -1.588 1.00 0.00 C ATOM 386 O VAL A 213 3.926 -9.419 -1.613 1.00 0.00 O ATOM 387 CB VAL A 213 1.959 -9.328 -3.906 1.00 0.00 C ATOM 388 CG1 VAL A 213 3.192 -10.114 -4.324 1.00 0.00 C ATOM 389 CG2 VAL A 213 0.754 -9.723 -4.747 1.00 0.00 C ATOM 0 H VAL A 213 0.030 -8.254 -2.677 1.00 0.00 H new ATOM 0 HA VAL A 213 1.606 -10.609 -2.206 1.00 0.00 H new ATOM 0 HB VAL A 213 2.159 -8.270 -4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 213 3.385 -9.952 -5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 213 4.051 -9.778 -3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 213 3.025 -11.176 -4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 213 0.980 -9.567 -5.802 1.00 0.00 H new ATOM 0 HG22 VAL A 213 0.521 -10.774 -4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -0.103 -9.111 -4.465 1.00 0.00 H new ATOM 399 N HIS A 214 2.484 -7.863 -0.862 1.00 0.00 N ATOM 400 CA HIS A 214 3.475 -7.188 -0.031 1.00 0.00 C ATOM 401 C HIS A 214 3.438 -7.718 1.399 1.00 0.00 C ATOM 402 O HIS A 214 4.462 -7.762 2.081 1.00 0.00 O ATOM 403 CB HIS A 214 3.230 -5.678 -0.034 1.00 0.00 C ATOM 404 CG HIS A 214 3.714 -4.991 1.205 1.00 0.00 C ATOM 405 ND1 HIS A 214 5.026 -4.608 1.390 1.00 0.00 N ATOM 406 CD2 HIS A 214 3.053 -4.615 2.325 1.00 0.00 C ATOM 407 CE1 HIS A 214 5.151 -4.029 2.570 1.00 0.00 C ATOM 408 NE2 HIS A 214 3.968 -4.020 3.158 1.00 0.00 N ATOM 0 H HIS A 214 1.554 -7.446 -0.832 1.00 0.00 H new ATOM 0 HA HIS A 214 4.461 -7.390 -0.449 1.00 0.00 H new ATOM 0 HB2 HIS A 214 3.726 -5.239 -0.900 1.00 0.00 H new ATOM 0 HB3 HIS A 214 2.162 -5.492 -0.150 1.00 0.00 H new ATOM 0 HD1 HIS A 214 5.782 -4.750 0.720 1.00 0.00 H new ATOM 0 HD2 HIS A 214 2.001 -4.757 2.526 1.00 0.00 H new ATOM 0 HE1 HIS A 214 6.065 -3.630 2.984 1.00 0.00 H new ATOM 416 N ILE A 215 2.252 -8.119 1.846 1.00 0.00 N ATOM 417 CA ILE A 215 2.083 -8.646 3.194 1.00 0.00 C ATOM 418 C ILE A 215 3.001 -9.839 3.437 1.00 0.00 C ATOM 419 O ILE A 215 3.310 -10.176 4.580 1.00 0.00 O ATOM 420 CB ILE A 215 0.626 -9.072 3.453 1.00 0.00 C ATOM 421 CG1 ILE A 215 -0.317 -7.882 3.267 1.00 0.00 C ATOM 422 CG2 ILE A 215 0.485 -9.653 4.852 1.00 0.00 C ATOM 423 CD1 ILE A 215 -1.762 -8.282 3.068 1.00 0.00 C ATOM 0 H ILE A 215 1.395 -8.089 1.294 1.00 0.00 H new ATOM 0 HA ILE A 215 2.346 -7.843 3.882 1.00 0.00 H new ATOM 0 HB ILE A 215 0.354 -9.843 2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.245 -7.232 4.139 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.012 -7.299 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -0.550 -9.949 5.020 1.00 0.00 H new ATOM 0 HG22 ILE A 215 1.133 -10.524 4.951 1.00 0.00 H new ATOM 0 HG23 ILE A 215 0.772 -8.902 5.588 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -2.373 -7.388 2.943 1.00 0.00 H new ATOM 0 HD12 ILE A 215 -1.847 -8.907 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -2.108 -8.839 3.938 1.00 0.00 H new ATOM 435 N ARG A 216 3.436 -10.474 2.353 1.00 0.00 N ATOM 436 CA ARG A 216 4.320 -11.630 2.448 1.00 0.00 C ATOM 437 C ARG A 216 5.567 -11.295 3.260 1.00 0.00 C ATOM 438 O ARG A 216 6.185 -12.175 3.860 1.00 0.00 O ATOM 439 CB ARG A 216 4.721 -12.108 1.051 1.00 0.00 C ATOM 440 CG ARG A 216 3.537 -12.425 0.152 1.00 0.00 C ATOM 441 CD ARG A 216 3.950 -12.493 -1.309 1.00 0.00 C ATOM 442 NE ARG A 216 4.027 -13.869 -1.793 1.00 0.00 N ATOM 443 CZ ARG A 216 4.666 -14.223 -2.903 1.00 0.00 C ATOM 444 NH1 ARG A 216 5.278 -13.307 -3.640 1.00 0.00 N ATOM 445 NH2 ARG A 216 4.692 -15.496 -3.277 1.00 0.00 N ATOM 0 H ARG A 216 3.191 -10.208 1.399 1.00 0.00 H new ATOM 0 HA ARG A 216 3.780 -12.428 2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 216 5.332 -11.341 0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 216 5.343 -12.998 1.146 1.00 0.00 H new ATOM 0 HG2 ARG A 216 3.096 -13.376 0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 216 2.768 -11.663 0.279 1.00 0.00 H new ATOM 0 HD2 ARG A 216 3.235 -11.935 -1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 216 4.919 -12.010 -1.435 1.00 0.00 H new ATOM 0 HE ARG A 216 3.565 -14.598 -1.249 1.00 0.00 H new ATOM 0 HH11 ARG A 216 5.259 -12.328 -3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 216 5.768 -13.581 -4.492 1.00 0.00 H new ATOM 0 HH21 ARG A 216 4.221 -16.203 -2.712 1.00 0.00 H new ATOM 0 HH22 ARG A 216 5.183 -15.767 -4.129 1.00 0.00 H new ATOM 459 N VAL A 217 5.933 -10.017 3.275 1.00 0.00 N ATOM 460 CA VAL A 217 7.106 -9.566 4.014 1.00 0.00 C ATOM 461 C VAL A 217 6.785 -9.378 5.492 1.00 0.00 C ATOM 462 O VAL A 217 7.663 -9.491 6.348 1.00 0.00 O ATOM 463 CB VAL A 217 7.652 -8.242 3.446 1.00 0.00 C ATOM 464 CG1 VAL A 217 7.867 -8.354 1.944 1.00 0.00 C ATOM 465 CG2 VAL A 217 6.710 -7.094 3.774 1.00 0.00 C ATOM 0 H VAL A 217 5.434 -9.276 2.784 1.00 0.00 H new ATOM 0 HA VAL A 217 7.866 -10.340 3.906 1.00 0.00 H new ATOM 0 HB VAL A 217 8.615 -8.036 3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 217 8.253 -7.410 1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 217 8.583 -9.149 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 217 6.919 -8.583 1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 217 7.111 -6.166 3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 217 5.731 -7.290 3.336 1.00 0.00 H new ATOM 0 HG23 VAL A 217 6.612 -7.002 4.856 1.00 0.00 H new ATOM 475 N HIS A 218 5.521 -9.090 5.786 1.00 0.00 N ATOM 476 CA HIS A 218 5.083 -8.887 7.163 1.00 0.00 C ATOM 477 C HIS A 218 4.483 -10.168 7.736 1.00 0.00 C ATOM 478 O HIS A 218 5.108 -10.849 8.550 1.00 0.00 O ATOM 479 CB HIS A 218 4.059 -7.754 7.232 1.00 0.00 C ATOM 480 CG HIS A 218 4.609 -6.423 6.824 1.00 0.00 C ATOM 481 ND1 HIS A 218 5.719 -5.855 7.413 1.00 0.00 N ATOM 482 CD2 HIS A 218 4.198 -5.547 5.877 1.00 0.00 C ATOM 483 CE1 HIS A 218 5.965 -4.686 6.848 1.00 0.00 C ATOM 484 NE2 HIS A 218 5.057 -4.476 5.912 1.00 0.00 N ATOM 0 H HIS A 218 4.782 -8.992 5.090 1.00 0.00 H new ATOM 0 HA HIS A 218 5.954 -8.616 7.760 1.00 0.00 H new ATOM 0 HB2 HIS A 218 3.213 -8.000 6.590 1.00 0.00 H new ATOM 0 HB3 HIS A 218 3.676 -7.683 8.250 1.00 0.00 H new ATOM 0 HD1 HIS A 218 6.265 -6.272 8.167 1.00 0.00 H new ATOM 0 HD2 HIS A 218 3.352 -5.668 5.217 1.00 0.00 H new ATOM 0 HE1 HIS A 218 6.771 -4.016 7.107 1.00 0.00 H new ATOM 492 N THR A 219 3.266 -10.489 7.307 1.00 0.00 N ATOM 493 CA THR A 219 2.581 -11.686 7.779 1.00 0.00 C ATOM 494 C THR A 219 2.654 -12.804 6.745 1.00 0.00 C ATOM 495 O THR A 219 2.728 -12.549 5.544 1.00 0.00 O ATOM 496 CB THR A 219 1.103 -11.396 8.102 1.00 0.00 C ATOM 497 OG1 THR A 219 0.926 -10.003 8.379 1.00 0.00 O ATOM 498 CG2 THR A 219 0.640 -12.218 9.296 1.00 0.00 C ATOM 0 H THR A 219 2.735 -9.937 6.634 1.00 0.00 H new ATOM 0 HA THR A 219 3.089 -12.003 8.690 1.00 0.00 H new ATOM 0 HB THR A 219 0.503 -11.672 7.235 1.00 0.00 H new ATOM 0 HG1 THR A 219 -0.017 -9.827 8.582 1.00 0.00 H new ATOM 0 HG21 THR A 219 -0.406 -11.997 9.506 1.00 0.00 H new ATOM 0 HG22 THR A 219 0.749 -13.279 9.071 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.246 -11.968 10.167 1.00 0.00 H new ATOM 506 N GLY A 220 2.630 -14.046 7.221 1.00 0.00 N ATOM 507 CA GLY A 220 2.693 -15.185 6.324 1.00 0.00 C ATOM 508 C GLY A 220 1.661 -15.109 5.217 1.00 0.00 C ATOM 509 O GLY A 220 0.480 -15.370 5.441 1.00 0.00 O ATOM 0 H GLY A 220 2.568 -14.283 8.211 1.00 0.00 H new ATOM 0 HA2 GLY A 220 3.689 -15.243 5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 220 2.543 -16.102 6.894 1.00 0.00 H new ATOM 513 N SER A 221 2.108 -14.749 4.018 1.00 0.00 N ATOM 514 CA SER A 221 1.213 -14.634 2.872 1.00 0.00 C ATOM 515 C SER A 221 1.746 -15.430 1.684 1.00 0.00 C ATOM 516 O SER A 221 1.440 -15.128 0.532 1.00 0.00 O ATOM 517 CB SER A 221 1.040 -13.165 2.479 1.00 0.00 C ATOM 518 OG SER A 221 -0.317 -12.768 2.575 1.00 0.00 O ATOM 0 H SER A 221 3.084 -14.532 3.815 1.00 0.00 H new ATOM 0 HA SER A 221 0.244 -15.044 3.157 1.00 0.00 H new ATOM 0 HB2 SER A 221 1.652 -12.537 3.126 1.00 0.00 H new ATOM 0 HB3 SER A 221 1.395 -13.014 1.460 1.00 0.00 H new ATOM 0 HG SER A 221 -0.401 -11.825 2.320 1.00 0.00 H new ATOM 524 N GLY A 222 2.547 -16.451 1.976 1.00 0.00 N ATOM 525 CA GLY A 222 3.110 -17.276 0.923 1.00 0.00 C ATOM 526 C GLY A 222 3.880 -18.464 1.466 1.00 0.00 C ATOM 527 O GLY A 222 3.457 -19.613 1.343 1.00 0.00 O ATOM 0 H GLY A 222 2.816 -16.721 2.922 1.00 0.00 H new ATOM 0 HA2 GLY A 222 2.308 -17.632 0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 222 3.772 -16.669 0.305 1.00 0.00 H new ATOM 531 N PRO A 223 5.040 -18.190 2.082 1.00 0.00 N ATOM 532 CA PRO A 223 5.895 -19.232 2.657 1.00 0.00 C ATOM 533 C PRO A 223 5.277 -19.873 3.894 1.00 0.00 C ATOM 534 O PRO A 223 4.893 -19.181 4.838 1.00 0.00 O ATOM 535 CB PRO A 223 7.174 -18.477 3.028 1.00 0.00 C ATOM 536 CG PRO A 223 6.735 -17.067 3.230 1.00 0.00 C ATOM 537 CD PRO A 223 5.605 -16.843 2.265 1.00 0.00 C ATOM 0 HA PRO A 223 6.056 -20.056 1.962 1.00 0.00 H new ATOM 0 HB2 PRO A 223 7.626 -18.884 3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 223 7.921 -18.550 2.237 1.00 0.00 H new ATOM 0 HG2 PRO A 223 6.409 -16.903 4.257 1.00 0.00 H new ATOM 0 HG3 PRO A 223 7.553 -16.373 3.041 1.00 0.00 H new ATOM 0 HD2 PRO A 223 4.866 -16.149 2.665 1.00 0.00 H new ATOM 0 HD3 PRO A 223 5.958 -16.424 1.323 1.00 0.00 H new ATOM 545 N SER A 224 5.183 -21.199 3.885 1.00 0.00 N ATOM 546 CA SER A 224 4.607 -21.933 5.006 1.00 0.00 C ATOM 547 C SER A 224 5.476 -23.132 5.373 1.00 0.00 C ATOM 548 O SER A 224 5.827 -23.324 6.538 1.00 0.00 O ATOM 549 CB SER A 224 3.191 -22.400 4.663 1.00 0.00 C ATOM 550 OG SER A 224 2.541 -21.475 3.809 1.00 0.00 O ATOM 0 H SER A 224 5.498 -21.787 3.114 1.00 0.00 H new ATOM 0 HA SER A 224 4.562 -21.262 5.864 1.00 0.00 H new ATOM 0 HB2 SER A 224 3.234 -23.377 4.181 1.00 0.00 H new ATOM 0 HB3 SER A 224 2.613 -22.522 5.579 1.00 0.00 H new ATOM 0 HG SER A 224 1.639 -21.798 3.604 1.00 0.00 H new ATOM 556 N SER A 225 5.819 -23.936 4.372 1.00 0.00 N ATOM 557 CA SER A 225 6.643 -25.119 4.589 1.00 0.00 C ATOM 558 C SER A 225 7.836 -25.131 3.639 1.00 0.00 C ATOM 559 O SER A 225 7.878 -24.378 2.667 1.00 0.00 O ATOM 560 CB SER A 225 5.811 -26.388 4.399 1.00 0.00 C ATOM 561 OG SER A 225 5.257 -26.444 3.096 1.00 0.00 O ATOM 0 H SER A 225 5.539 -23.790 3.402 1.00 0.00 H new ATOM 0 HA SER A 225 7.017 -25.089 5.613 1.00 0.00 H new ATOM 0 HB2 SER A 225 6.435 -27.265 4.570 1.00 0.00 H new ATOM 0 HB3 SER A 225 5.011 -26.417 5.139 1.00 0.00 H new ATOM 0 HG SER A 225 4.731 -27.265 2.999 1.00 0.00 H new ATOM 567 N GLY A 226 8.806 -25.994 3.927 1.00 0.00 N ATOM 568 CA GLY A 226 9.987 -26.090 3.090 1.00 0.00 C ATOM 569 C GLY A 226 11.273 -26.005 3.889 1.00 0.00 C ATOM 570 O GLY A 226 11.243 -25.529 5.022 1.00 0.00 O ATOM 0 H GLY A 226 8.794 -26.628 4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 226 9.965 -27.032 2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 226 9.970 -25.290 2.349 1.00 0.00 H new TER 574 GLY A 226 HETATM 575 ZN ZN A 301 4.005 -3.185 4.856 1.00 0.00 ZN