USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 627 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 Set 1.1: A 157 MET CE :methyl 172:sc= -4.47 (180deg=-4.93!) USER MOD Set 1.2: A 226 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 177 GLN :FLIP amide:sc= -1.88! F(o=-2.1,f=-1.1!) USER MOD Set 2.2: A 212 HIS :FLIP no HD1:sc= 0.742 F(o=-4.9,f=-1.1) USER MOD Set 3.1: A 155 CYS SG : rot -140:sc= 1.02 USER MOD Set 3.2: A 191 SER OG : rot -117:sc= -1.03! USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 LYS NZ :NH3+ -175:sc= -0.528 (180deg=-0.575) USER MOD Single : A 162 SER OG : rot 24:sc= 1.21 USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD Single : A 167 ASN : amide:sc= -0.92 K(o=-0.92,f=-1.7!) USER MOD Single : A 169 HIS : no HE2:sc= -3.18! C(o=-3.2!,f=-6.7!) USER MOD Single : A 170 SER OG : rot 111:sc= 0.689 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 SER OG : rot 180:sc= 0 USER MOD Single : A 186 SER OG : rot 39:sc= -3.17 USER MOD Single : A 196 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 203 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.54) USER MOD Single : A 206 CYS SG : rot 180:sc= -0.679 USER MOD Single : A 207 MET CE :methyl -148:sc= -0.17 (180deg=-1.19) USER MOD Single : A 210 LYS NZ :NH3+ -173:sc= 0.219 (180deg=0.182) USER MOD Single : A 211 GLN :FLIP amide:sc= -0.0129 F(o=-2,f=-0.013) USER MOD Single : A 217 SER OG : rot 78:sc= 0.622 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 125 N ARG A 151 12.533 -0.976 4.175 1.00 0.00 N ATOM 126 CA ARG A 151 11.507 -1.694 4.924 1.00 0.00 C ATOM 127 C ARG A 151 10.132 -1.055 4.741 1.00 0.00 C ATOM 128 O ARG A 151 10.022 0.107 4.351 1.00 0.00 O ATOM 129 CB ARG A 151 11.868 -1.736 6.412 1.00 0.00 C ATOM 130 CG ARG A 151 12.459 -0.437 6.937 1.00 0.00 C ATOM 131 CD ARG A 151 12.604 -0.464 8.450 1.00 0.00 C ATOM 132 NE ARG A 151 11.315 -0.340 9.126 1.00 0.00 N ATOM 133 CZ ARG A 151 11.100 -0.709 10.387 1.00 0.00 C ATOM 134 NH1 ARG A 151 12.084 -1.224 11.113 1.00 0.00 N ATOM 135 NH2 ARG A 151 9.896 -0.561 10.924 1.00 0.00 N ATOM 0 HA ARG A 151 11.463 -2.711 4.534 1.00 0.00 H new ATOM 0 HB2 ARG A 151 10.973 -1.976 6.987 1.00 0.00 H new ATOM 0 HB3 ARG A 151 12.581 -2.543 6.581 1.00 0.00 H new ATOM 0 HG2 ARG A 151 13.434 -0.268 6.480 1.00 0.00 H new ATOM 0 HG3 ARG A 151 11.822 0.398 6.646 1.00 0.00 H new ATOM 0 HD2 ARG A 151 13.083 -1.395 8.752 1.00 0.00 H new ATOM 0 HD3 ARG A 151 13.259 0.348 8.766 1.00 0.00 H new ATOM 0 HE ARG A 151 10.534 0.052 8.601 1.00 0.00 H new ATOM 0 HH11 ARG A 151 13.012 -1.339 10.706 1.00 0.00 H new ATOM 0 HH12 ARG A 151 11.912 -1.505 12.079 1.00 0.00 H new ATOM 0 HH21 ARG A 151 9.136 -0.165 10.371 1.00 0.00 H new ATOM 0 HH22 ARG A 151 9.730 -0.843 11.890 1.00 0.00 H new ATOM 149 N PRO A 152 9.064 -1.818 5.016 1.00 0.00 N ATOM 150 CA PRO A 152 7.689 -1.334 4.876 1.00 0.00 C ATOM 151 C PRO A 152 7.399 -0.138 5.776 1.00 0.00 C ATOM 152 O PRO A 152 7.854 -0.082 6.919 1.00 0.00 O ATOM 153 CB PRO A 152 6.826 -2.535 5.282 1.00 0.00 C ATOM 154 CG PRO A 152 7.740 -3.450 6.026 1.00 0.00 C ATOM 155 CD PRO A 152 9.118 -3.212 5.477 1.00 0.00 C ATOM 0 HA PRO A 152 7.491 -0.983 3.863 1.00 0.00 H new ATOM 0 HB2 PRO A 152 5.989 -2.223 5.907 1.00 0.00 H new ATOM 0 HB3 PRO A 152 6.404 -3.029 4.407 1.00 0.00 H new ATOM 0 HG2 PRO A 152 7.708 -3.245 7.096 1.00 0.00 H new ATOM 0 HG3 PRO A 152 7.443 -4.490 5.891 1.00 0.00 H new ATOM 0 HD2 PRO A 152 9.884 -3.354 6.239 1.00 0.00 H new ATOM 0 HD3 PRO A 152 9.349 -3.897 4.661 1.00 0.00 H new ATOM 163 N ARG A 153 6.640 0.816 5.249 1.00 0.00 N ATOM 164 CA ARG A 153 6.286 2.015 5.997 1.00 0.00 C ATOM 165 C ARG A 153 4.813 1.996 6.395 1.00 0.00 C ATOM 166 O ARG A 153 3.958 1.553 5.629 1.00 0.00 O ATOM 167 CB ARG A 153 6.591 3.265 5.169 1.00 0.00 C ATOM 168 CG ARG A 153 8.056 3.668 5.195 1.00 0.00 C ATOM 169 CD ARG A 153 8.241 5.124 4.801 1.00 0.00 C ATOM 170 NE ARG A 153 7.895 5.363 3.402 1.00 0.00 N ATOM 171 CZ ARG A 153 8.118 6.512 2.769 1.00 0.00 C ATOM 172 NH1 ARG A 153 8.687 7.529 3.406 1.00 0.00 N ATOM 173 NH2 ARG A 153 7.773 6.646 1.496 1.00 0.00 N ATOM 0 H ARG A 153 6.257 0.781 4.304 1.00 0.00 H new ATOM 0 HA ARG A 153 6.886 2.036 6.907 1.00 0.00 H new ATOM 0 HB2 ARG A 153 6.289 3.089 4.136 1.00 0.00 H new ATOM 0 HB3 ARG A 153 5.988 4.093 5.541 1.00 0.00 H new ATOM 0 HG2 ARG A 153 8.461 3.506 6.194 1.00 0.00 H new ATOM 0 HG3 ARG A 153 8.622 3.031 4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 153 7.622 5.753 5.440 1.00 0.00 H new ATOM 0 HD3 ARG A 153 9.277 5.417 4.973 1.00 0.00 H new ATOM 0 HE ARG A 153 7.457 4.604 2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 153 8.955 7.432 4.385 1.00 0.00 H new ATOM 0 HH12 ARG A 153 8.856 8.408 2.916 1.00 0.00 H new ATOM 0 HH21 ARG A 153 7.336 5.868 1.001 1.00 0.00 H new ATOM 0 HH22 ARG A 153 7.944 7.527 1.011 1.00 0.00 H new ATOM 187 N LEU A 154 4.527 2.476 7.601 1.00 0.00 N ATOM 188 CA LEU A 154 3.160 2.511 8.110 1.00 0.00 C ATOM 189 C LEU A 154 2.363 3.645 7.474 1.00 0.00 C ATOM 190 O LEU A 154 2.827 4.782 7.402 1.00 0.00 O ATOM 191 CB LEU A 154 3.165 2.668 9.632 1.00 0.00 C ATOM 192 CG LEU A 154 1.796 2.538 10.302 1.00 0.00 C ATOM 193 CD1 LEU A 154 1.222 1.148 10.077 1.00 0.00 C ATOM 194 CD2 LEU A 154 1.902 2.840 11.789 1.00 0.00 C ATOM 0 H LEU A 154 5.225 2.847 8.245 1.00 0.00 H new ATOM 0 HA LEU A 154 2.681 1.568 7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 154 3.833 1.919 10.057 1.00 0.00 H new ATOM 0 HB3 LEU A 154 3.582 3.644 9.880 1.00 0.00 H new ATOM 0 HG LEU A 154 1.120 3.264 9.851 1.00 0.00 H new ATOM 0 HD11 LEU A 154 0.248 1.074 10.561 1.00 0.00 H new ATOM 0 HD12 LEU A 154 1.111 0.969 9.008 1.00 0.00 H new ATOM 0 HD13 LEU A 154 1.895 0.403 10.501 1.00 0.00 H new ATOM 0 HD21 LEU A 154 0.919 2.743 12.251 1.00 0.00 H new ATOM 0 HD22 LEU A 154 2.593 2.137 12.255 1.00 0.00 H new ATOM 0 HD23 LEU A 154 2.270 3.857 11.929 1.00 0.00 H new ATOM 206 N CYS A 155 1.156 3.323 7.020 1.00 0.00 N ATOM 207 CA CYS A 155 0.282 4.306 6.394 1.00 0.00 C ATOM 208 C CYS A 155 -1.084 4.306 7.072 1.00 0.00 C ATOM 209 O CYS A 155 -1.611 3.250 7.423 1.00 0.00 O ATOM 210 CB CYS A 155 0.133 4.004 4.901 1.00 0.00 C ATOM 211 SG CYS A 155 -0.418 5.411 3.908 1.00 0.00 S ATOM 0 H CYS A 155 0.761 2.384 7.075 1.00 0.00 H new ATOM 0 HA CYS A 155 0.727 5.294 6.509 1.00 0.00 H new ATOM 0 HB2 CYS A 155 1.091 3.655 4.516 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -0.577 3.186 4.777 1.00 0.00 H new ATOM 0 HG CYS A 155 -1.270 5.004 3.014 1.00 0.00 H new ATOM 217 N THR A 156 -1.653 5.492 7.258 1.00 0.00 N ATOM 218 CA THR A 156 -2.958 5.618 7.899 1.00 0.00 C ATOM 219 C THR A 156 -3.883 6.494 7.066 1.00 0.00 C ATOM 220 O THR A 156 -3.738 7.716 7.041 1.00 0.00 O ATOM 221 CB THR A 156 -2.807 6.204 9.304 1.00 0.00 C ATOM 222 OG1 THR A 156 -1.702 5.622 9.973 1.00 0.00 O ATOM 223 CG2 THR A 156 -4.029 6.000 10.173 1.00 0.00 C ATOM 0 H THR A 156 -1.233 6.378 6.975 1.00 0.00 H new ATOM 0 HA THR A 156 -3.397 4.623 7.977 1.00 0.00 H new ATOM 0 HB THR A 156 -2.661 7.274 9.156 1.00 0.00 H new ATOM 0 HG1 THR A 156 -1.620 6.010 10.869 1.00 0.00 H new ATOM 0 HG21 THR A 156 -3.854 6.439 11.155 1.00 0.00 H new ATOM 0 HG22 THR A 156 -4.890 6.480 9.708 1.00 0.00 H new ATOM 0 HG23 THR A 156 -4.224 4.933 10.282 1.00 0.00 H new ATOM 231 N MET A 157 -4.828 5.864 6.378 1.00 0.00 N ATOM 232 CA MET A 157 -5.765 6.592 5.532 1.00 0.00 C ATOM 233 C MET A 157 -7.169 6.579 6.120 1.00 0.00 C ATOM 234 O MET A 157 -7.619 5.571 6.665 1.00 0.00 O ATOM 235 CB MET A 157 -5.790 5.983 4.130 1.00 0.00 C ATOM 236 CG MET A 157 -6.101 4.496 4.124 1.00 0.00 C ATOM 237 SD MET A 157 -6.692 3.916 2.523 1.00 0.00 S ATOM 238 CE MET A 157 -8.063 2.879 3.022 1.00 0.00 C ATOM 0 H MET A 157 -4.965 4.853 6.389 1.00 0.00 H new ATOM 0 HA MET A 157 -5.427 7.627 5.475 1.00 0.00 H new ATOM 0 HB2 MET A 157 -6.534 6.505 3.528 1.00 0.00 H new ATOM 0 HB3 MET A 157 -4.823 6.146 3.654 1.00 0.00 H new ATOM 0 HG2 MET A 157 -5.205 3.940 4.399 1.00 0.00 H new ATOM 0 HG3 MET A 157 -6.853 4.283 4.883 1.00 0.00 H new ATOM 0 HE1 MET A 157 -8.619 2.561 2.140 1.00 0.00 H new ATOM 0 HE2 MET A 157 -7.684 2.002 3.547 1.00 0.00 H new ATOM 0 HE3 MET A 157 -8.723 3.441 3.683 1.00 0.00 H new ATOM 248 N LYS A 158 -7.861 7.705 5.992 1.00 0.00 N ATOM 249 CA LYS A 158 -9.221 7.829 6.497 1.00 0.00 C ATOM 250 C LYS A 158 -10.204 7.985 5.343 1.00 0.00 C ATOM 251 O LYS A 158 -10.159 8.967 4.602 1.00 0.00 O ATOM 252 CB LYS A 158 -9.337 9.022 7.444 1.00 0.00 C ATOM 253 CG LYS A 158 -8.617 8.821 8.768 1.00 0.00 C ATOM 254 CD LYS A 158 -8.955 9.922 9.762 1.00 0.00 C ATOM 255 CE LYS A 158 -7.744 10.788 10.072 1.00 0.00 C ATOM 256 NZ LYS A 158 -7.183 10.496 11.420 1.00 0.00 N ATOM 0 H LYS A 158 -7.501 8.546 5.542 1.00 0.00 H new ATOM 0 HA LYS A 158 -9.464 6.920 7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -8.934 9.907 6.951 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -10.391 9.219 7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -8.891 7.854 9.189 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -7.541 8.801 8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -9.754 10.544 9.359 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -9.331 9.478 10.684 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -6.977 10.623 9.316 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -8.026 11.839 10.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -6.359 11.107 11.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -7.907 10.678 12.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -6.890 9.499 11.466 1.00 0.00 H new ATOM 270 N LYS A 159 -11.087 7.008 5.196 1.00 0.00 N ATOM 271 CA LYS A 159 -12.080 7.027 4.132 1.00 0.00 C ATOM 272 C LYS A 159 -13.006 8.235 4.275 1.00 0.00 C ATOM 273 O LYS A 159 -12.740 9.297 3.713 1.00 0.00 O ATOM 274 CB LYS A 159 -12.878 5.718 4.140 1.00 0.00 C ATOM 275 CG LYS A 159 -14.071 5.707 3.195 1.00 0.00 C ATOM 276 CD LYS A 159 -13.642 5.428 1.763 1.00 0.00 C ATOM 277 CE LYS A 159 -14.832 5.092 0.877 1.00 0.00 C ATOM 278 NZ LYS A 159 -15.089 6.154 -0.135 1.00 0.00 N ATOM 0 H LYS A 159 -11.136 6.189 5.803 1.00 0.00 H new ATOM 0 HA LYS A 159 -11.567 7.116 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 159 -12.211 4.898 3.874 1.00 0.00 H new ATOM 0 HB3 LYS A 159 -13.230 5.527 5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 159 -14.785 4.949 3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 159 -14.583 6.668 3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 159 -13.123 6.299 1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 159 -12.933 4.600 1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 159 -14.651 4.144 0.370 1.00 0.00 H new ATOM 0 HE3 LYS A 159 -15.719 4.958 1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 159 -15.957 5.929 -0.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 159 -15.203 7.070 0.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 159 -14.287 6.206 -0.795 1.00 0.00 H new ATOM 292 N GLY A 160 -14.092 8.072 5.028 1.00 0.00 N ATOM 293 CA GLY A 160 -15.028 9.165 5.220 1.00 0.00 C ATOM 294 C GLY A 160 -15.528 9.734 3.905 1.00 0.00 C ATOM 295 O GLY A 160 -15.613 9.016 2.908 1.00 0.00 O ATOM 0 H GLY A 160 -14.339 7.206 5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -15.877 8.815 5.808 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -14.547 9.956 5.796 1.00 0.00 H new ATOM 299 N PRO A 161 -15.865 11.033 3.869 1.00 0.00 N ATOM 300 CA PRO A 161 -16.354 11.689 2.656 1.00 0.00 C ATOM 301 C PRO A 161 -15.226 12.068 1.697 1.00 0.00 C ATOM 302 O PRO A 161 -15.472 12.635 0.633 1.00 0.00 O ATOM 303 CB PRO A 161 -17.034 12.942 3.199 1.00 0.00 C ATOM 304 CG PRO A 161 -16.267 13.278 4.432 1.00 0.00 C ATOM 305 CD PRO A 161 -15.793 11.968 5.010 1.00 0.00 C ATOM 0 HA PRO A 161 -17.008 11.040 2.074 1.00 0.00 H new ATOM 0 HB2 PRO A 161 -17.000 13.757 2.476 1.00 0.00 H new ATOM 0 HB3 PRO A 161 -18.085 12.758 3.423 1.00 0.00 H new ATOM 0 HG2 PRO A 161 -15.423 13.928 4.199 1.00 0.00 H new ATOM 0 HG3 PRO A 161 -16.894 13.813 5.145 1.00 0.00 H new ATOM 0 HD2 PRO A 161 -14.778 12.047 5.399 1.00 0.00 H new ATOM 0 HD3 PRO A 161 -16.427 11.642 5.835 1.00 0.00 H new ATOM 313 N SER A 162 -13.988 11.759 2.081 1.00 0.00 N ATOM 314 CA SER A 162 -12.831 12.078 1.251 1.00 0.00 C ATOM 315 C SER A 162 -12.471 10.915 0.330 1.00 0.00 C ATOM 316 O SER A 162 -11.953 11.121 -0.767 1.00 0.00 O ATOM 317 CB SER A 162 -11.632 12.435 2.132 1.00 0.00 C ATOM 318 OG SER A 162 -11.494 11.517 3.202 1.00 0.00 O ATOM 0 H SER A 162 -13.763 11.290 2.958 1.00 0.00 H new ATOM 0 HA SER A 162 -13.091 12.935 0.630 1.00 0.00 H new ATOM 0 HB2 SER A 162 -10.723 12.437 1.531 1.00 0.00 H new ATOM 0 HB3 SER A 162 -11.755 13.443 2.527 1.00 0.00 H new ATOM 0 HG SER A 162 -11.915 10.666 2.959 1.00 0.00 H new ATOM 324 N GLY A 163 -12.746 9.694 0.780 1.00 0.00 N ATOM 325 CA GLY A 163 -12.439 8.527 -0.024 1.00 0.00 C ATOM 326 C GLY A 163 -11.107 7.904 0.344 1.00 0.00 C ATOM 327 O GLY A 163 -10.599 8.114 1.446 1.00 0.00 O ATOM 0 H GLY A 163 -13.174 9.494 1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 163 -13.229 7.787 0.099 1.00 0.00 H new ATOM 0 HA3 GLY A 163 -12.427 8.808 -1.077 1.00 0.00 H new ATOM 331 N TYR A 164 -10.539 7.137 -0.580 1.00 0.00 N ATOM 332 CA TYR A 164 -9.258 6.482 -0.350 1.00 0.00 C ATOM 333 C TYR A 164 -8.101 7.395 -0.745 1.00 0.00 C ATOM 334 O TYR A 164 -7.167 7.606 0.030 1.00 0.00 O ATOM 335 CB TYR A 164 -9.184 5.174 -1.140 1.00 0.00 C ATOM 336 CG TYR A 164 -10.416 4.308 -0.997 1.00 0.00 C ATOM 337 CD1 TYR A 164 -10.710 3.679 0.206 1.00 0.00 C ATOM 338 CD2 TYR A 164 -11.284 4.121 -2.065 1.00 0.00 C ATOM 339 CE1 TYR A 164 -11.835 2.887 0.341 1.00 0.00 C ATOM 340 CE2 TYR A 164 -12.411 3.330 -1.938 1.00 0.00 C ATOM 341 CZ TYR A 164 -12.681 2.716 -0.734 1.00 0.00 C ATOM 342 OH TYR A 164 -13.802 1.928 -0.604 1.00 0.00 O ATOM 0 H TYR A 164 -10.947 6.954 -1.497 1.00 0.00 H new ATOM 0 HA TYR A 164 -9.175 6.262 0.714 1.00 0.00 H new ATOM 0 HB2 TYR A 164 -9.033 5.405 -2.195 1.00 0.00 H new ATOM 0 HB3 TYR A 164 -8.313 4.609 -0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 164 -10.049 3.811 1.050 1.00 0.00 H new ATOM 0 HD2 TYR A 164 -11.075 4.601 -3.010 1.00 0.00 H new ATOM 0 HE1 TYR A 164 -12.050 2.405 1.283 1.00 0.00 H new ATOM 0 HE2 TYR A 164 -13.076 3.194 -2.778 1.00 0.00 H new ATOM 0 HH TYR A 164 -14.291 1.913 -1.453 1.00 0.00 H new ATOM 352 N GLY A 165 -8.173 7.937 -1.956 1.00 0.00 N ATOM 353 CA GLY A 165 -7.130 8.824 -2.437 1.00 0.00 C ATOM 354 C GLY A 165 -6.142 8.132 -3.356 1.00 0.00 C ATOM 355 O GLY A 165 -5.064 8.661 -3.621 1.00 0.00 O ATOM 0 H GLY A 165 -8.936 7.778 -2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 165 -7.587 9.660 -2.967 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -6.594 9.242 -1.585 1.00 0.00 H new ATOM 359 N PHE A 166 -6.501 6.948 -3.843 1.00 0.00 N ATOM 360 CA PHE A 166 -5.626 6.201 -4.735 1.00 0.00 C ATOM 361 C PHE A 166 -6.381 5.100 -5.468 1.00 0.00 C ATOM 362 O PHE A 166 -7.587 4.927 -5.290 1.00 0.00 O ATOM 363 CB PHE A 166 -4.460 5.603 -3.952 1.00 0.00 C ATOM 364 CG PHE A 166 -4.861 4.528 -2.983 1.00 0.00 C ATOM 365 CD1 PHE A 166 -5.620 4.833 -1.866 1.00 0.00 C ATOM 366 CD2 PHE A 166 -4.473 3.213 -3.187 1.00 0.00 C ATOM 367 CE1 PHE A 166 -5.986 3.847 -0.970 1.00 0.00 C ATOM 368 CE2 PHE A 166 -4.836 2.223 -2.294 1.00 0.00 C ATOM 369 CZ PHE A 166 -5.593 2.540 -1.184 1.00 0.00 C ATOM 0 H PHE A 166 -7.388 6.489 -3.635 1.00 0.00 H new ATOM 0 HA PHE A 166 -5.241 6.897 -5.480 1.00 0.00 H new ATOM 0 HB2 PHE A 166 -3.736 5.192 -4.656 1.00 0.00 H new ATOM 0 HB3 PHE A 166 -3.956 6.400 -3.406 1.00 0.00 H new ATOM 0 HD1 PHE A 166 -5.929 5.853 -1.693 1.00 0.00 H new ATOM 0 HD2 PHE A 166 -3.880 2.959 -4.054 1.00 0.00 H new ATOM 0 HE1 PHE A 166 -6.579 4.098 -0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 166 -4.528 1.202 -2.464 1.00 0.00 H new ATOM 0 HZ PHE A 166 -5.877 1.768 -0.484 1.00 0.00 H new ATOM 379 N ASN A 167 -5.653 4.362 -6.294 1.00 0.00 N ATOM 380 CA ASN A 167 -6.229 3.269 -7.072 1.00 0.00 C ATOM 381 C ASN A 167 -5.430 1.986 -6.866 1.00 0.00 C ATOM 382 O ASN A 167 -4.310 2.019 -6.357 1.00 0.00 O ATOM 383 CB ASN A 167 -6.255 3.630 -8.562 1.00 0.00 C ATOM 384 CG ASN A 167 -7.413 4.540 -8.964 1.00 0.00 C ATOM 385 OD1 ASN A 167 -7.544 4.893 -10.137 1.00 0.00 O ATOM 386 ND2 ASN A 167 -8.260 4.930 -8.012 1.00 0.00 N ATOM 0 H ASN A 167 -4.654 4.500 -6.445 1.00 0.00 H new ATOM 0 HA ASN A 167 -7.250 3.107 -6.728 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -5.316 4.118 -8.823 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -6.309 2.711 -9.146 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -9.045 5.539 -8.245 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -8.124 4.620 -7.050 1.00 0.00 H new ATOM 393 N LEU A 168 -6.009 0.857 -7.261 1.00 0.00 N ATOM 394 CA LEU A 168 -5.342 -0.432 -7.112 1.00 0.00 C ATOM 395 C LEU A 168 -5.458 -1.266 -8.385 1.00 0.00 C ATOM 396 O LEU A 168 -6.519 -1.325 -9.006 1.00 0.00 O ATOM 397 CB LEU A 168 -5.937 -1.204 -5.932 1.00 0.00 C ATOM 398 CG LEU A 168 -5.648 -0.610 -4.552 1.00 0.00 C ATOM 399 CD1 LEU A 168 -4.159 -0.343 -4.384 1.00 0.00 C ATOM 400 CD2 LEU A 168 -6.449 0.667 -4.342 1.00 0.00 C ATOM 0 H LEU A 168 -6.935 0.808 -7.685 1.00 0.00 H new ATOM 0 HA LEU A 168 -4.286 -0.240 -6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 168 -7.017 -1.263 -6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 168 -5.556 -2.225 -5.957 1.00 0.00 H new ATOM 0 HG LEU A 168 -5.952 -1.334 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 168 -3.974 0.079 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 168 -3.608 -1.278 -4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 168 -3.827 0.361 -5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 168 -6.231 1.075 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 168 -6.177 1.397 -5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 168 -7.514 0.445 -4.415 1.00 0.00 H new ATOM 412 N HIS A 169 -4.359 -1.912 -8.763 1.00 0.00 N ATOM 413 CA HIS A 169 -4.337 -2.748 -9.959 1.00 0.00 C ATOM 414 C HIS A 169 -3.642 -4.081 -9.684 1.00 0.00 C ATOM 415 O HIS A 169 -2.790 -4.179 -8.799 1.00 0.00 O ATOM 416 CB HIS A 169 -3.639 -2.017 -11.110 1.00 0.00 C ATOM 417 CG HIS A 169 -2.160 -1.852 -10.925 1.00 0.00 C ATOM 418 ND1 HIS A 169 -1.505 -2.143 -9.745 1.00 0.00 N ATOM 419 CD2 HIS A 169 -1.205 -1.419 -11.783 1.00 0.00 C ATOM 420 CE1 HIS A 169 -0.215 -1.895 -9.886 1.00 0.00 C ATOM 421 NE2 HIS A 169 -0.007 -1.456 -11.113 1.00 0.00 N ATOM 0 H HIS A 169 -3.473 -1.873 -8.259 1.00 0.00 H new ATOM 0 HA HIS A 169 -5.369 -2.953 -10.245 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -3.820 -2.564 -12.036 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -4.091 -1.032 -11.228 1.00 0.00 H new ATOM 0 HD1 HIS A 169 -1.948 -2.495 -8.896 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -1.358 -1.103 -12.804 1.00 0.00 H new ATOM 0 HE1 HIS A 169 0.541 -2.029 -9.126 1.00 0.00 H new ATOM 430 N SER A 170 -4.015 -5.102 -10.450 1.00 0.00 N ATOM 431 CA SER A 170 -3.432 -6.431 -10.297 1.00 0.00 C ATOM 432 C SER A 170 -3.539 -7.222 -11.598 1.00 0.00 C ATOM 433 O SER A 170 -4.380 -6.927 -12.447 1.00 0.00 O ATOM 434 CB SER A 170 -4.129 -7.190 -9.166 1.00 0.00 C ATOM 435 OG SER A 170 -3.506 -8.441 -8.931 1.00 0.00 O ATOM 0 H SER A 170 -4.720 -5.034 -11.184 1.00 0.00 H new ATOM 0 HA SER A 170 -2.377 -6.313 -10.048 1.00 0.00 H new ATOM 0 HB2 SER A 170 -4.106 -6.592 -8.255 1.00 0.00 H new ATOM 0 HB3 SER A 170 -5.178 -7.345 -9.420 1.00 0.00 H new ATOM 0 HG SER A 170 -3.056 -8.424 -8.061 1.00 0.00 H new ATOM 441 N ASP A 171 -2.684 -8.229 -11.749 1.00 0.00 N ATOM 442 CA ASP A 171 -2.687 -9.060 -12.948 1.00 0.00 C ATOM 443 C ASP A 171 -2.708 -10.543 -12.583 1.00 0.00 C ATOM 444 O ASP A 171 -3.748 -11.197 -12.666 1.00 0.00 O ATOM 445 CB ASP A 171 -1.464 -8.746 -13.816 1.00 0.00 C ATOM 446 CG ASP A 171 -1.405 -9.599 -15.069 1.00 0.00 C ATOM 447 OD1 ASP A 171 -2.400 -9.615 -15.824 1.00 0.00 O ATOM 448 OD2 ASP A 171 -0.364 -10.251 -15.294 1.00 0.00 O ATOM 0 H ASP A 171 -1.981 -8.489 -11.057 1.00 0.00 H new ATOM 0 HA ASP A 171 -3.590 -8.835 -13.516 1.00 0.00 H new ATOM 0 HB2 ASP A 171 -1.484 -7.693 -14.098 1.00 0.00 H new ATOM 0 HB3 ASP A 171 -0.558 -8.903 -13.231 1.00 0.00 H new ATOM 453 N LYS A 172 -1.555 -11.068 -12.179 1.00 0.00 N ATOM 454 CA LYS A 172 -1.445 -12.473 -11.801 1.00 0.00 C ATOM 455 C LYS A 172 -1.935 -12.686 -10.373 1.00 0.00 C ATOM 456 O LYS A 172 -2.264 -11.729 -9.671 1.00 0.00 O ATOM 457 CB LYS A 172 0.004 -12.945 -11.932 1.00 0.00 C ATOM 458 CG LYS A 172 0.568 -12.800 -13.335 1.00 0.00 C ATOM 459 CD LYS A 172 0.117 -13.937 -14.238 1.00 0.00 C ATOM 460 CE LYS A 172 -1.099 -13.547 -15.060 1.00 0.00 C ATOM 461 NZ LYS A 172 -2.041 -14.687 -15.233 1.00 0.00 N ATOM 0 H LYS A 172 -0.684 -10.542 -12.105 1.00 0.00 H new ATOM 0 HA LYS A 172 -2.071 -13.058 -12.474 1.00 0.00 H new ATOM 0 HB2 LYS A 172 0.626 -12.378 -11.239 1.00 0.00 H new ATOM 0 HB3 LYS A 172 0.065 -13.991 -11.632 1.00 0.00 H new ATOM 0 HG2 LYS A 172 0.249 -11.848 -13.760 1.00 0.00 H new ATOM 0 HG3 LYS A 172 1.657 -12.780 -13.290 1.00 0.00 H new ATOM 0 HD2 LYS A 172 0.932 -14.219 -14.904 1.00 0.00 H new ATOM 0 HD3 LYS A 172 -0.117 -14.813 -13.633 1.00 0.00 H new ATOM 0 HE2 LYS A 172 -1.616 -12.720 -14.574 1.00 0.00 H new ATOM 0 HE3 LYS A 172 -0.777 -13.191 -16.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 172 -2.857 -14.380 -15.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 172 -1.556 -15.467 -15.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 172 -2.369 -15.011 -14.301 1.00 0.00 H new ATOM 475 N SER A 173 -1.979 -13.944 -9.944 1.00 0.00 N ATOM 476 CA SER A 173 -2.427 -14.272 -8.595 1.00 0.00 C ATOM 477 C SER A 173 -1.260 -14.293 -7.611 1.00 0.00 C ATOM 478 O SER A 173 -1.395 -14.764 -6.482 1.00 0.00 O ATOM 479 CB SER A 173 -3.145 -15.623 -8.586 1.00 0.00 C ATOM 480 OG SER A 173 -3.969 -15.772 -9.729 1.00 0.00 O ATOM 0 H SER A 173 -1.711 -14.750 -10.509 1.00 0.00 H new ATOM 0 HA SER A 173 -3.123 -13.495 -8.278 1.00 0.00 H new ATOM 0 HB2 SER A 173 -2.411 -16.428 -8.556 1.00 0.00 H new ATOM 0 HB3 SER A 173 -3.750 -15.710 -7.684 1.00 0.00 H new ATOM 0 HG SER A 173 -4.415 -16.644 -9.699 1.00 0.00 H new ATOM 486 N LYS A 174 -0.118 -13.781 -8.049 1.00 0.00 N ATOM 487 CA LYS A 174 1.076 -13.739 -7.211 1.00 0.00 C ATOM 488 C LYS A 174 1.366 -12.323 -6.699 1.00 0.00 C ATOM 489 O LYS A 174 1.630 -12.136 -5.512 1.00 0.00 O ATOM 490 CB LYS A 174 2.288 -14.276 -7.976 1.00 0.00 C ATOM 491 CG LYS A 174 2.233 -15.773 -8.228 1.00 0.00 C ATOM 492 CD LYS A 174 3.612 -16.339 -8.528 1.00 0.00 C ATOM 493 CE LYS A 174 4.231 -15.689 -9.756 1.00 0.00 C ATOM 494 NZ LYS A 174 3.755 -16.319 -11.018 1.00 0.00 N ATOM 0 H LYS A 174 0.008 -13.388 -8.982 1.00 0.00 H new ATOM 0 HA LYS A 174 0.886 -14.374 -6.346 1.00 0.00 H new ATOM 0 HB2 LYS A 174 2.363 -13.758 -8.932 1.00 0.00 H new ATOM 0 HB3 LYS A 174 3.193 -14.043 -7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 174 1.815 -16.275 -7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 174 1.565 -15.978 -9.064 1.00 0.00 H new ATOM 0 HD2 LYS A 174 4.263 -16.186 -7.668 1.00 0.00 H new ATOM 0 HD3 LYS A 174 3.538 -17.415 -8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 174 3.987 -14.627 -9.766 1.00 0.00 H new ATOM 0 HE3 LYS A 174 5.317 -15.766 -9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 174 4.200 -15.847 -11.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 174 4.010 -17.327 -11.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 174 2.722 -16.223 -11.086 1.00 0.00 H new ATOM 508 N PRO A 175 1.326 -11.300 -7.579 1.00 0.00 N ATOM 509 CA PRO A 175 1.595 -9.914 -7.178 1.00 0.00 C ATOM 510 C PRO A 175 0.766 -9.485 -5.972 1.00 0.00 C ATOM 511 O PRO A 175 1.309 -9.183 -4.910 1.00 0.00 O ATOM 512 CB PRO A 175 1.205 -9.103 -8.416 1.00 0.00 C ATOM 513 CG PRO A 175 1.387 -10.045 -9.552 1.00 0.00 C ATOM 514 CD PRO A 175 1.023 -11.402 -9.020 1.00 0.00 C ATOM 0 HA PRO A 175 2.631 -9.773 -6.871 1.00 0.00 H new ATOM 0 HB2 PRO A 175 0.175 -8.753 -8.352 1.00 0.00 H new ATOM 0 HB3 PRO A 175 1.835 -8.221 -8.527 1.00 0.00 H new ATOM 0 HG2 PRO A 175 0.750 -9.771 -10.393 1.00 0.00 H new ATOM 0 HG3 PRO A 175 2.416 -10.029 -9.912 1.00 0.00 H new ATOM 0 HD2 PRO A 175 -0.028 -11.632 -9.194 1.00 0.00 H new ATOM 0 HD3 PRO A 175 1.605 -12.190 -9.498 1.00 0.00 H new ATOM 522 N GLY A 176 -0.552 -9.461 -6.142 1.00 0.00 N ATOM 523 CA GLY A 176 -1.430 -9.066 -5.056 1.00 0.00 C ATOM 524 C GLY A 176 -2.125 -7.747 -5.325 1.00 0.00 C ATOM 525 O GLY A 176 -2.537 -7.472 -6.452 1.00 0.00 O ATOM 0 H GLY A 176 -1.027 -9.707 -7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 176 -2.179 -9.842 -4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 176 -0.852 -8.988 -4.135 1.00 0.00 H new ATOM 529 N GLN A 177 -2.260 -6.932 -4.285 1.00 0.00 N ATOM 530 CA GLN A 177 -2.913 -5.636 -4.410 1.00 0.00 C ATOM 531 C GLN A 177 -1.890 -4.505 -4.389 1.00 0.00 C ATOM 532 O GLN A 177 -1.357 -4.160 -3.335 1.00 0.00 O ATOM 533 CB GLN A 177 -3.918 -5.443 -3.274 1.00 0.00 C ATOM 534 CG GLN A 177 -4.837 -4.247 -3.463 1.00 0.00 C ATOM 535 CD GLN A 177 -5.992 -4.539 -4.400 1.00 0.00 C ATOM 536 OE1 GLN A 177 -5.703 -4.611 -5.693 1.00 0.00 O flip ATOM 537 NE2 GLN A 177 -7.132 -4.697 -3.966 1.00 0.00 N flip ATOM 0 H GLN A 177 -1.925 -7.147 -3.346 1.00 0.00 H new ATOM 0 HA GLN A 177 -3.437 -5.611 -5.366 1.00 0.00 H new ATOM 0 HB2 GLN A 177 -4.524 -6.344 -3.181 1.00 0.00 H new ATOM 0 HB3 GLN A 177 -3.374 -5.327 -2.336 1.00 0.00 H new ATOM 0 HG2 GLN A 177 -5.230 -3.939 -2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 177 -4.260 -3.409 -3.854 1.00 0.00 H new ATOM 0 HE21 GLN A 177 -7.310 -4.633 -2.964 1.00 0.00 H new ATOM 0 HE22 GLN A 177 -7.900 -4.892 -4.609 1.00 0.00 H new ATOM 546 N PHE A 178 -1.624 -3.924 -5.556 1.00 0.00 N ATOM 547 CA PHE A 178 -0.667 -2.827 -5.660 1.00 0.00 C ATOM 548 C PHE A 178 -1.363 -1.544 -6.101 1.00 0.00 C ATOM 549 O PHE A 178 -2.345 -1.584 -6.843 1.00 0.00 O ATOM 550 CB PHE A 178 0.447 -3.176 -6.652 1.00 0.00 C ATOM 551 CG PHE A 178 1.147 -4.479 -6.369 1.00 0.00 C ATOM 552 CD1 PHE A 178 1.110 -5.053 -5.106 1.00 0.00 C ATOM 553 CD2 PHE A 178 1.844 -5.129 -7.374 1.00 0.00 C ATOM 554 CE1 PHE A 178 1.755 -6.248 -4.855 1.00 0.00 C ATOM 555 CE2 PHE A 178 2.492 -6.324 -7.127 1.00 0.00 C ATOM 556 CZ PHE A 178 2.447 -6.885 -5.866 1.00 0.00 C ATOM 0 H PHE A 178 -2.056 -4.194 -6.440 1.00 0.00 H new ATOM 0 HA PHE A 178 -0.229 -2.670 -4.674 1.00 0.00 H new ATOM 0 HB2 PHE A 178 0.024 -3.216 -7.656 1.00 0.00 H new ATOM 0 HB3 PHE A 178 1.184 -2.373 -6.649 1.00 0.00 H new ATOM 0 HD1 PHE A 178 0.571 -4.560 -4.311 1.00 0.00 H new ATOM 0 HD2 PHE A 178 1.881 -4.696 -8.363 1.00 0.00 H new ATOM 0 HE1 PHE A 178 1.718 -6.684 -3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 178 3.033 -6.819 -7.920 1.00 0.00 H new ATOM 0 HZ PHE A 178 2.952 -7.820 -5.671 1.00 0.00 H new ATOM 566 N ILE A 179 -0.846 -0.406 -5.648 1.00 0.00 N ATOM 567 CA ILE A 179 -1.423 0.884 -6.009 1.00 0.00 C ATOM 568 C ILE A 179 -1.042 1.261 -7.436 1.00 0.00 C ATOM 569 O ILE A 179 0.115 1.136 -7.833 1.00 0.00 O ATOM 570 CB ILE A 179 -0.971 1.998 -5.041 1.00 0.00 C ATOM 571 CG1 ILE A 179 -1.368 1.639 -3.609 1.00 0.00 C ATOM 572 CG2 ILE A 179 -1.575 3.337 -5.442 1.00 0.00 C ATOM 573 CD1 ILE A 179 -0.926 2.660 -2.585 1.00 0.00 C ATOM 0 H ILE A 179 -0.033 -0.351 -5.034 1.00 0.00 H new ATOM 0 HA ILE A 179 -2.506 0.786 -5.938 1.00 0.00 H new ATOM 0 HB ILE A 179 0.114 2.086 -5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 179 -2.451 1.530 -3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 179 -0.938 0.671 -3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 179 -1.244 4.108 -4.747 1.00 0.00 H new ATOM 0 HG22 ILE A 179 -1.252 3.594 -6.451 1.00 0.00 H new ATOM 0 HG23 ILE A 179 -2.663 3.268 -5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 179 -1.242 2.340 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 179 0.160 2.752 -2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 179 -1.377 3.625 -2.815 1.00 0.00 H new ATOM 585 N ARG A 180 -2.026 1.710 -8.206 1.00 0.00 N ATOM 586 CA ARG A 180 -1.792 2.090 -9.593 1.00 0.00 C ATOM 587 C ARG A 180 -1.783 3.608 -9.760 1.00 0.00 C ATOM 588 O ARG A 180 -1.087 4.140 -10.625 1.00 0.00 O ATOM 589 CB ARG A 180 -2.859 1.462 -10.493 1.00 0.00 C ATOM 590 CG ARG A 180 -4.240 2.074 -10.324 1.00 0.00 C ATOM 591 CD ARG A 180 -5.265 1.392 -11.215 1.00 0.00 C ATOM 592 NE ARG A 180 -6.244 2.338 -11.746 1.00 0.00 N ATOM 593 CZ ARG A 180 -7.013 2.094 -12.805 1.00 0.00 C ATOM 594 NH1 ARG A 180 -6.920 0.938 -13.450 1.00 0.00 N ATOM 595 NH2 ARG A 180 -7.878 3.009 -13.221 1.00 0.00 N ATOM 0 H ARG A 180 -2.991 1.820 -7.894 1.00 0.00 H new ATOM 0 HA ARG A 180 -0.810 1.718 -9.886 1.00 0.00 H new ATOM 0 HB2 ARG A 180 -2.551 1.565 -11.533 1.00 0.00 H new ATOM 0 HB3 ARG A 180 -2.917 0.394 -10.282 1.00 0.00 H new ATOM 0 HG2 ARG A 180 -4.550 1.992 -9.282 1.00 0.00 H new ATOM 0 HG3 ARG A 180 -4.200 3.137 -10.562 1.00 0.00 H new ATOM 0 HD2 ARG A 180 -4.755 0.896 -12.041 1.00 0.00 H new ATOM 0 HD3 ARG A 180 -5.780 0.617 -10.648 1.00 0.00 H new ATOM 0 HE ARG A 180 -6.344 3.239 -11.278 1.00 0.00 H new ATOM 0 HH11 ARG A 180 -6.256 0.230 -13.135 1.00 0.00 H new ATOM 0 HH12 ARG A 180 -7.512 0.757 -14.261 1.00 0.00 H new ATOM 0 HH21 ARG A 180 -7.954 3.900 -12.730 1.00 0.00 H new ATOM 0 HH22 ARG A 180 -8.467 2.822 -14.032 1.00 0.00 H new ATOM 609 N SER A 181 -2.558 4.301 -8.931 1.00 0.00 N ATOM 610 CA SER A 181 -2.631 5.758 -9.000 1.00 0.00 C ATOM 611 C SER A 181 -2.931 6.362 -7.631 1.00 0.00 C ATOM 612 O SER A 181 -3.504 5.705 -6.764 1.00 0.00 O ATOM 613 CB SER A 181 -3.702 6.187 -10.004 1.00 0.00 C ATOM 614 OG SER A 181 -3.721 7.596 -10.160 1.00 0.00 O ATOM 0 H SER A 181 -3.141 3.881 -8.207 1.00 0.00 H new ATOM 0 HA SER A 181 -1.660 6.127 -9.330 1.00 0.00 H new ATOM 0 HB2 SER A 181 -3.512 5.714 -10.967 1.00 0.00 H new ATOM 0 HB3 SER A 181 -4.680 5.842 -9.667 1.00 0.00 H new ATOM 0 HG SER A 181 -4.413 7.844 -10.808 1.00 0.00 H new ATOM 620 N VAL A 182 -2.539 7.620 -7.447 1.00 0.00 N ATOM 621 CA VAL A 182 -2.765 8.319 -6.187 1.00 0.00 C ATOM 622 C VAL A 182 -3.342 9.710 -6.430 1.00 0.00 C ATOM 623 O VAL A 182 -2.957 10.396 -7.377 1.00 0.00 O ATOM 624 CB VAL A 182 -1.462 8.452 -5.379 1.00 0.00 C ATOM 625 CG1 VAL A 182 -1.742 9.028 -3.999 1.00 0.00 C ATOM 626 CG2 VAL A 182 -0.763 7.105 -5.271 1.00 0.00 C ATOM 0 H VAL A 182 -2.062 8.176 -8.157 1.00 0.00 H new ATOM 0 HA VAL A 182 -3.479 7.725 -5.617 1.00 0.00 H new ATOM 0 HB VAL A 182 -0.800 9.140 -5.904 1.00 0.00 H new ATOM 0 HG11 VAL A 182 -0.808 9.114 -3.444 1.00 0.00 H new ATOM 0 HG12 VAL A 182 -2.195 10.014 -4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 182 -2.424 8.369 -3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 182 0.157 7.217 -4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 182 -1.419 6.394 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 182 -0.525 6.738 -6.269 1.00 0.00 H new ATOM 636 N ASP A 183 -4.269 10.122 -5.570 1.00 0.00 N ATOM 637 CA ASP A 183 -4.898 11.431 -5.695 1.00 0.00 C ATOM 638 C ASP A 183 -4.179 12.467 -4.830 1.00 0.00 C ATOM 639 O ASP A 183 -4.087 12.309 -3.613 1.00 0.00 O ATOM 640 CB ASP A 183 -6.371 11.350 -5.290 1.00 0.00 C ATOM 641 CG ASP A 183 -7.100 12.665 -5.488 1.00 0.00 C ATOM 642 OD1 ASP A 183 -6.529 13.571 -6.130 1.00 0.00 O ATOM 643 OD2 ASP A 183 -8.243 12.789 -5.000 1.00 0.00 O ATOM 0 H ASP A 183 -4.600 9.568 -4.780 1.00 0.00 H new ATOM 0 HA ASP A 183 -4.828 11.742 -6.737 1.00 0.00 H new ATOM 0 HB2 ASP A 183 -6.863 10.573 -5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 183 -6.441 11.053 -4.244 1.00 0.00 H new ATOM 648 N PRO A 184 -3.657 13.545 -5.443 1.00 0.00 N ATOM 649 CA PRO A 184 -2.947 14.599 -4.709 1.00 0.00 C ATOM 650 C PRO A 184 -3.838 15.293 -3.683 1.00 0.00 C ATOM 651 O PRO A 184 -4.975 15.659 -3.980 1.00 0.00 O ATOM 652 CB PRO A 184 -2.527 15.590 -5.802 1.00 0.00 C ATOM 653 CG PRO A 184 -2.607 14.824 -7.078 1.00 0.00 C ATOM 654 CD PRO A 184 -3.709 13.824 -6.888 1.00 0.00 C ATOM 0 HA PRO A 184 -2.110 14.196 -4.139 1.00 0.00 H new ATOM 0 HB2 PRO A 184 -3.187 16.457 -5.822 1.00 0.00 H new ATOM 0 HB3 PRO A 184 -1.517 15.962 -5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 184 -2.820 15.485 -7.918 1.00 0.00 H new ATOM 0 HG3 PRO A 184 -1.662 14.327 -7.295 1.00 0.00 H new ATOM 0 HD2 PRO A 184 -4.676 14.228 -7.187 1.00 0.00 H new ATOM 0 HD3 PRO A 184 -3.543 12.923 -7.479 1.00 0.00 H new ATOM 662 N ASP A 185 -3.308 15.478 -2.477 1.00 0.00 N ATOM 663 CA ASP A 185 -4.045 16.138 -1.401 1.00 0.00 C ATOM 664 C ASP A 185 -5.146 15.243 -0.834 1.00 0.00 C ATOM 665 O ASP A 185 -6.028 15.715 -0.117 1.00 0.00 O ATOM 666 CB ASP A 185 -4.651 17.455 -1.896 1.00 0.00 C ATOM 667 CG ASP A 185 -4.995 18.397 -0.760 1.00 0.00 C ATOM 668 OD1 ASP A 185 -6.056 18.205 -0.130 1.00 0.00 O ATOM 669 OD2 ASP A 185 -4.204 19.328 -0.500 1.00 0.00 O ATOM 0 H ASP A 185 -2.368 15.179 -2.219 1.00 0.00 H new ATOM 0 HA ASP A 185 -3.334 16.344 -0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -3.948 17.945 -2.570 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -5.551 17.243 -2.474 1.00 0.00 H new ATOM 674 N SER A 186 -5.091 13.950 -1.146 1.00 0.00 N ATOM 675 CA SER A 186 -6.088 13.009 -0.647 1.00 0.00 C ATOM 676 C SER A 186 -5.593 12.332 0.629 1.00 0.00 C ATOM 677 O SER A 186 -4.399 12.355 0.927 1.00 0.00 O ATOM 678 CB SER A 186 -6.410 11.957 -1.709 1.00 0.00 C ATOM 679 OG SER A 186 -7.178 12.515 -2.760 1.00 0.00 O ATOM 0 H SER A 186 -4.372 13.533 -1.738 1.00 0.00 H new ATOM 0 HA SER A 186 -6.998 13.564 -0.418 1.00 0.00 H new ATOM 0 HB2 SER A 186 -5.484 11.545 -2.110 1.00 0.00 H new ATOM 0 HB3 SER A 186 -6.956 11.131 -1.254 1.00 0.00 H new ATOM 0 HG SER A 186 -6.856 13.419 -2.956 1.00 0.00 H new ATOM 685 N PRO A 187 -6.505 11.722 1.406 1.00 0.00 N ATOM 686 CA PRO A 187 -6.145 11.046 2.655 1.00 0.00 C ATOM 687 C PRO A 187 -4.953 10.112 2.487 1.00 0.00 C ATOM 688 O PRO A 187 -4.078 10.048 3.351 1.00 0.00 O ATOM 689 CB PRO A 187 -7.406 10.256 3.003 1.00 0.00 C ATOM 690 CG PRO A 187 -8.517 11.035 2.389 1.00 0.00 C ATOM 691 CD PRO A 187 -7.954 11.647 1.134 1.00 0.00 C ATOM 0 HA PRO A 187 -5.841 11.750 3.429 1.00 0.00 H new ATOM 0 HB2 PRO A 187 -7.363 9.243 2.602 1.00 0.00 H new ATOM 0 HB3 PRO A 187 -7.533 10.167 4.082 1.00 0.00 H new ATOM 0 HG2 PRO A 187 -9.366 10.390 2.161 1.00 0.00 H new ATOM 0 HG3 PRO A 187 -8.876 11.806 3.071 1.00 0.00 H new ATOM 0 HD2 PRO A 187 -8.167 11.034 0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 187 -8.378 12.633 0.943 1.00 0.00 H new ATOM 699 N ALA A 188 -4.915 9.398 1.368 1.00 0.00 N ATOM 700 CA ALA A 188 -3.817 8.482 1.093 1.00 0.00 C ATOM 701 C ALA A 188 -2.498 9.240 1.010 1.00 0.00 C ATOM 702 O ALA A 188 -1.487 8.818 1.572 1.00 0.00 O ATOM 703 CB ALA A 188 -4.074 7.718 -0.197 1.00 0.00 C ATOM 0 H ALA A 188 -5.629 9.436 0.640 1.00 0.00 H new ATOM 0 HA ALA A 188 -3.751 7.766 1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 188 -3.244 7.038 -0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 188 -4.998 7.147 -0.104 1.00 0.00 H new ATOM 0 HB3 ALA A 188 -4.165 8.422 -1.025 1.00 0.00 H new ATOM 709 N GLU A 189 -2.520 10.369 0.308 1.00 0.00 N ATOM 710 CA GLU A 189 -1.331 11.197 0.149 1.00 0.00 C ATOM 711 C GLU A 189 -0.888 11.780 1.486 1.00 0.00 C ATOM 712 O GLU A 189 0.256 11.601 1.904 1.00 0.00 O ATOM 713 CB GLU A 189 -1.603 12.328 -0.844 1.00 0.00 C ATOM 714 CG GLU A 189 -0.341 12.934 -1.437 1.00 0.00 C ATOM 715 CD GLU A 189 0.563 11.895 -2.069 1.00 0.00 C ATOM 716 OE1 GLU A 189 0.090 11.163 -2.964 1.00 0.00 O ATOM 717 OE2 GLU A 189 1.743 11.812 -1.669 1.00 0.00 O ATOM 0 H GLU A 189 -3.351 10.731 -0.160 1.00 0.00 H new ATOM 0 HA GLU A 189 -0.530 10.566 -0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 189 -2.228 11.948 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 189 -2.171 13.111 -0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 189 -0.616 13.675 -2.187 1.00 0.00 H new ATOM 0 HG3 GLU A 189 0.207 13.460 -0.655 1.00 0.00 H new ATOM 724 N ALA A 190 -1.801 12.478 2.154 1.00 0.00 N ATOM 725 CA ALA A 190 -1.502 13.088 3.445 1.00 0.00 C ATOM 726 C ALA A 190 -1.051 12.038 4.458 1.00 0.00 C ATOM 727 O ALA A 190 -0.334 12.347 5.410 1.00 0.00 O ATOM 728 CB ALA A 190 -2.716 13.841 3.967 1.00 0.00 C ATOM 0 H ALA A 190 -2.753 12.635 1.823 1.00 0.00 H new ATOM 0 HA ALA A 190 -0.684 13.794 3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -2.478 14.291 4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -2.991 14.623 3.259 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -3.550 13.149 4.085 1.00 0.00 H new ATOM 734 N SER A 191 -1.479 10.798 4.246 1.00 0.00 N ATOM 735 CA SER A 191 -1.129 9.700 5.131 1.00 0.00 C ATOM 736 C SER A 191 0.287 9.198 4.854 1.00 0.00 C ATOM 737 O SER A 191 0.916 8.583 5.715 1.00 0.00 O ATOM 738 CB SER A 191 -2.130 8.562 4.949 1.00 0.00 C ATOM 739 OG SER A 191 -1.712 7.397 5.632 1.00 0.00 O ATOM 0 H SER A 191 -2.073 10.530 3.462 1.00 0.00 H new ATOM 0 HA SER A 191 -1.163 10.060 6.159 1.00 0.00 H new ATOM 0 HB2 SER A 191 -3.108 8.872 5.319 1.00 0.00 H new ATOM 0 HB3 SER A 191 -2.245 8.342 3.888 1.00 0.00 H new ATOM 0 HG SER A 191 -1.561 6.676 4.986 1.00 0.00 H new ATOM 745 N GLY A 192 0.778 9.459 3.646 1.00 0.00 N ATOM 746 CA GLY A 192 2.111 9.020 3.276 1.00 0.00 C ATOM 747 C GLY A 192 2.077 7.857 2.305 1.00 0.00 C ATOM 748 O GLY A 192 2.990 7.032 2.277 1.00 0.00 O ATOM 0 H GLY A 192 0.276 9.967 2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 192 2.655 9.851 2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 192 2.658 8.728 4.172 1.00 0.00 H new ATOM 752 N LEU A 193 1.015 7.793 1.509 1.00 0.00 N ATOM 753 CA LEU A 193 0.850 6.725 0.530 1.00 0.00 C ATOM 754 C LEU A 193 1.567 7.064 -0.772 1.00 0.00 C ATOM 755 O LEU A 193 1.622 8.224 -1.180 1.00 0.00 O ATOM 756 CB LEU A 193 -0.639 6.483 0.269 1.00 0.00 C ATOM 757 CG LEU A 193 -0.961 5.401 -0.764 1.00 0.00 C ATOM 758 CD1 LEU A 193 -2.389 4.903 -0.581 1.00 0.00 C ATOM 759 CD2 LEU A 193 -0.758 5.934 -2.177 1.00 0.00 C ATOM 0 H LEU A 193 0.253 8.471 1.523 1.00 0.00 H new ATOM 0 HA LEU A 193 1.294 5.815 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 193 -1.116 6.214 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 193 -1.089 7.420 -0.060 1.00 0.00 H new ATOM 0 HG LEU A 193 -0.280 4.564 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 193 -2.604 4.134 -1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 193 -2.503 4.485 0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 193 -3.083 5.734 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 193 -0.992 5.151 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 193 -1.416 6.787 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 193 0.279 6.246 -2.303 1.00 0.00 H new ATOM 771 N ARG A 194 2.112 6.041 -1.422 1.00 0.00 N ATOM 772 CA ARG A 194 2.825 6.226 -2.680 1.00 0.00 C ATOM 773 C ARG A 194 2.350 5.222 -3.726 1.00 0.00 C ATOM 774 O ARG A 194 2.255 4.026 -3.454 1.00 0.00 O ATOM 775 CB ARG A 194 4.332 6.084 -2.464 1.00 0.00 C ATOM 776 CG ARG A 194 4.983 7.333 -1.893 1.00 0.00 C ATOM 777 CD ARG A 194 6.482 7.347 -2.145 1.00 0.00 C ATOM 778 NE ARG A 194 6.973 8.688 -2.451 1.00 0.00 N ATOM 779 CZ ARG A 194 6.839 9.274 -3.639 1.00 0.00 C ATOM 780 NH1 ARG A 194 6.232 8.640 -4.634 1.00 0.00 N ATOM 781 NH2 ARG A 194 7.313 10.497 -3.832 1.00 0.00 N ATOM 0 H ARG A 194 2.073 5.075 -1.098 1.00 0.00 H new ATOM 0 HA ARG A 194 2.613 7.231 -3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 194 4.517 5.247 -1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 194 4.806 5.839 -3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 194 4.530 8.217 -2.341 1.00 0.00 H new ATOM 0 HG3 ARG A 194 4.793 7.386 -0.821 1.00 0.00 H new ATOM 0 HD2 ARG A 194 7.001 6.963 -1.267 1.00 0.00 H new ATOM 0 HD3 ARG A 194 6.717 6.677 -2.972 1.00 0.00 H new ATOM 0 HE ARG A 194 7.446 9.206 -1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 194 5.865 7.699 -4.491 1.00 0.00 H new ATOM 0 HH12 ARG A 194 6.132 9.094 -5.542 1.00 0.00 H new ATOM 0 HH21 ARG A 194 7.780 10.989 -3.070 1.00 0.00 H new ATOM 0 HH22 ARG A 194 7.210 10.946 -4.742 1.00 0.00 H new ATOM 795 N ALA A 195 2.052 5.719 -4.921 1.00 0.00 N ATOM 796 CA ALA A 195 1.583 4.871 -6.010 1.00 0.00 C ATOM 797 C ALA A 195 2.584 3.764 -6.321 1.00 0.00 C ATOM 798 O ALA A 195 3.794 3.961 -6.219 1.00 0.00 O ATOM 799 CB ALA A 195 1.320 5.708 -7.252 1.00 0.00 C ATOM 0 H ALA A 195 2.127 6.708 -5.160 1.00 0.00 H new ATOM 0 HA ALA A 195 0.652 4.401 -5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 195 0.970 5.063 -8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 195 0.560 6.458 -7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 195 2.241 6.204 -7.558 1.00 0.00 H new ATOM 805 N GLN A 196 2.064 2.601 -6.707 1.00 0.00 N ATOM 806 CA GLN A 196 2.897 1.448 -7.046 1.00 0.00 C ATOM 807 C GLN A 196 3.486 0.782 -5.802 1.00 0.00 C ATOM 808 O GLN A 196 4.205 -0.209 -5.911 1.00 0.00 O ATOM 809 CB GLN A 196 4.025 1.858 -7.998 1.00 0.00 C ATOM 810 CG GLN A 196 3.547 2.660 -9.198 1.00 0.00 C ATOM 811 CD GLN A 196 4.631 2.853 -10.240 1.00 0.00 C ATOM 812 OE1 GLN A 196 5.800 3.049 -9.908 1.00 0.00 O ATOM 813 NE2 GLN A 196 4.246 2.800 -11.510 1.00 0.00 N ATOM 0 H GLN A 196 1.062 2.431 -6.793 1.00 0.00 H new ATOM 0 HA GLN A 196 2.252 0.723 -7.542 1.00 0.00 H new ATOM 0 HB2 GLN A 196 4.758 2.447 -7.447 1.00 0.00 H new ATOM 0 HB3 GLN A 196 4.536 0.962 -8.350 1.00 0.00 H new ATOM 0 HG2 GLN A 196 2.696 2.153 -9.654 1.00 0.00 H new ATOM 0 HG3 GLN A 196 3.194 3.635 -8.861 1.00 0.00 H new ATOM 0 HE21 GLN A 196 3.266 2.635 -11.739 1.00 0.00 H new ATOM 0 HE22 GLN A 196 4.930 2.924 -12.256 1.00 0.00 H new ATOM 822 N ASP A 197 3.182 1.317 -4.620 1.00 0.00 N ATOM 823 CA ASP A 197 3.696 0.745 -3.381 1.00 0.00 C ATOM 824 C ASP A 197 3.161 -0.668 -3.178 1.00 0.00 C ATOM 825 O ASP A 197 2.136 -1.041 -3.748 1.00 0.00 O ATOM 826 CB ASP A 197 3.332 1.631 -2.186 1.00 0.00 C ATOM 827 CG ASP A 197 1.838 1.695 -1.931 1.00 0.00 C ATOM 828 OD1 ASP A 197 1.101 0.860 -2.495 1.00 0.00 O ATOM 829 OD2 ASP A 197 1.405 2.582 -1.166 1.00 0.00 O ATOM 0 H ASP A 197 2.588 2.137 -4.497 1.00 0.00 H new ATOM 0 HA ASP A 197 4.782 0.694 -3.455 1.00 0.00 H new ATOM 0 HB2 ASP A 197 3.832 1.253 -1.294 1.00 0.00 H new ATOM 0 HB3 ASP A 197 3.709 2.639 -2.359 1.00 0.00 H new ATOM 834 N ARG A 198 3.864 -1.454 -2.371 1.00 0.00 N ATOM 835 CA ARG A 198 3.458 -2.830 -2.106 1.00 0.00 C ATOM 836 C ARG A 198 2.628 -2.928 -0.830 1.00 0.00 C ATOM 837 O ARG A 198 3.138 -2.712 0.269 1.00 0.00 O ATOM 838 CB ARG A 198 4.691 -3.727 -1.989 1.00 0.00 C ATOM 839 CG ARG A 198 5.347 -4.038 -3.324 1.00 0.00 C ATOM 840 CD ARG A 198 4.558 -5.076 -4.104 1.00 0.00 C ATOM 841 NE ARG A 198 5.178 -6.398 -4.038 1.00 0.00 N ATOM 842 CZ ARG A 198 4.852 -7.333 -3.146 1.00 0.00 C ATOM 843 NH1 ARG A 198 3.912 -7.102 -2.236 1.00 0.00 N ATOM 844 NH2 ARG A 198 5.471 -8.506 -3.163 1.00 0.00 N ATOM 0 H ARG A 198 4.715 -1.164 -1.890 1.00 0.00 H new ATOM 0 HA ARG A 198 2.841 -3.164 -2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 198 5.421 -3.244 -1.339 1.00 0.00 H new ATOM 0 HB3 ARG A 198 4.405 -4.662 -1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 198 5.428 -3.124 -3.912 1.00 0.00 H new ATOM 0 HG3 ARG A 198 6.361 -4.401 -3.156 1.00 0.00 H new ATOM 0 HD2 ARG A 198 3.543 -5.131 -3.710 1.00 0.00 H new ATOM 0 HD3 ARG A 198 4.479 -4.764 -5.145 1.00 0.00 H new ATOM 0 HE ARG A 198 5.906 -6.619 -4.717 1.00 0.00 H new ATOM 0 HH11 ARG A 198 3.432 -6.202 -2.216 1.00 0.00 H new ATOM 0 HH12 ARG A 198 3.670 -7.825 -1.558 1.00 0.00 H new ATOM 0 HH21 ARG A 198 6.195 -8.691 -3.858 1.00 0.00 H new ATOM 0 HH22 ARG A 198 5.223 -9.223 -2.481 1.00 0.00 H new ATOM 858 N ILE A 199 1.349 -3.265 -0.979 1.00 0.00 N ATOM 859 CA ILE A 199 0.460 -3.402 0.170 1.00 0.00 C ATOM 860 C ILE A 199 0.905 -4.559 1.057 1.00 0.00 C ATOM 861 O ILE A 199 0.920 -5.713 0.629 1.00 0.00 O ATOM 862 CB ILE A 199 -1.002 -3.626 -0.267 1.00 0.00 C ATOM 863 CG1 ILE A 199 -1.462 -2.490 -1.185 1.00 0.00 C ATOM 864 CG2 ILE A 199 -1.913 -3.733 0.948 1.00 0.00 C ATOM 865 CD1 ILE A 199 -1.557 -1.150 -0.488 1.00 0.00 C ATOM 0 H ILE A 199 0.907 -3.447 -1.880 1.00 0.00 H new ATOM 0 HA ILE A 199 0.514 -2.470 0.732 1.00 0.00 H new ATOM 0 HB ILE A 199 -1.058 -4.564 -0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 199 -0.769 -2.407 -2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 199 -2.437 -2.743 -1.602 1.00 0.00 H new ATOM 0 HG21 ILE A 199 -2.940 -3.891 0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 199 -1.597 -4.573 1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 199 -1.855 -2.812 1.528 1.00 0.00 H new ATOM 0 HD11 ILE A 199 -1.888 -0.393 -1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 199 -2.272 -1.216 0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 199 -0.579 -0.874 -0.094 1.00 0.00 H new ATOM 877 N VAL A 200 1.276 -4.240 2.291 1.00 0.00 N ATOM 878 CA VAL A 200 1.734 -5.249 3.238 1.00 0.00 C ATOM 879 C VAL A 200 0.615 -5.687 4.177 1.00 0.00 C ATOM 880 O VAL A 200 0.416 -6.881 4.402 1.00 0.00 O ATOM 881 CB VAL A 200 2.920 -4.736 4.076 1.00 0.00 C ATOM 882 CG1 VAL A 200 3.497 -5.855 4.930 1.00 0.00 C ATOM 883 CG2 VAL A 200 3.992 -4.136 3.177 1.00 0.00 C ATOM 0 H VAL A 200 1.269 -3.289 2.660 1.00 0.00 H new ATOM 0 HA VAL A 200 2.056 -6.106 2.646 1.00 0.00 H new ATOM 0 HB VAL A 200 2.556 -3.953 4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 200 4.334 -5.472 5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 200 2.727 -6.233 5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 200 3.844 -6.663 4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 200 4.821 -3.779 3.788 1.00 0.00 H new ATOM 0 HG22 VAL A 200 4.353 -4.896 2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 200 3.571 -3.303 2.615 1.00 0.00 H new ATOM 893 N GLU A 201 -0.113 -4.720 4.729 1.00 0.00 N ATOM 894 CA GLU A 201 -1.204 -5.031 5.648 1.00 0.00 C ATOM 895 C GLU A 201 -2.410 -4.130 5.406 1.00 0.00 C ATOM 896 O GLU A 201 -2.366 -3.218 4.581 1.00 0.00 O ATOM 897 CB GLU A 201 -0.735 -4.900 7.101 1.00 0.00 C ATOM 898 CG GLU A 201 -0.709 -3.470 7.619 1.00 0.00 C ATOM 899 CD GLU A 201 0.189 -3.303 8.830 1.00 0.00 C ATOM 900 OE1 GLU A 201 1.366 -3.715 8.757 1.00 0.00 O ATOM 901 OE2 GLU A 201 -0.286 -2.763 9.850 1.00 0.00 O ATOM 0 H GLU A 201 0.030 -3.725 4.559 1.00 0.00 H new ATOM 0 HA GLU A 201 -1.508 -6.061 5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -1.391 -5.494 7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 201 0.265 -5.325 7.188 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -0.368 -2.806 6.825 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -1.722 -3.163 7.878 1.00 0.00 H new ATOM 908 N VAL A 202 -3.483 -4.396 6.143 1.00 0.00 N ATOM 909 CA VAL A 202 -4.710 -3.620 6.028 1.00 0.00 C ATOM 910 C VAL A 202 -5.496 -3.653 7.336 1.00 0.00 C ATOM 911 O VAL A 202 -6.111 -4.663 7.675 1.00 0.00 O ATOM 912 CB VAL A 202 -5.607 -4.148 4.891 1.00 0.00 C ATOM 913 CG1 VAL A 202 -6.813 -3.240 4.691 1.00 0.00 C ATOM 914 CG2 VAL A 202 -4.810 -4.284 3.602 1.00 0.00 C ATOM 0 H VAL A 202 -3.526 -5.148 6.830 1.00 0.00 H new ATOM 0 HA VAL A 202 -4.419 -2.594 5.801 1.00 0.00 H new ATOM 0 HB VAL A 202 -5.972 -5.136 5.171 1.00 0.00 H new ATOM 0 HG11 VAL A 202 -7.433 -3.631 3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 202 -7.396 -3.202 5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 202 -6.474 -2.236 4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 202 -5.459 -4.658 2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 202 -4.412 -3.310 3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 202 -3.986 -4.981 3.755 1.00 0.00 H new ATOM 924 N ASN A 203 -5.474 -2.543 8.066 1.00 0.00 N ATOM 925 CA ASN A 203 -6.185 -2.445 9.337 1.00 0.00 C ATOM 926 C ASN A 203 -5.522 -3.302 10.414 1.00 0.00 C ATOM 927 O ASN A 203 -6.171 -3.711 11.377 1.00 0.00 O ATOM 928 CB ASN A 203 -7.648 -2.863 9.167 1.00 0.00 C ATOM 929 CG ASN A 203 -8.511 -2.443 10.340 1.00 0.00 C ATOM 930 OD1 ASN A 203 -8.466 -1.293 10.778 1.00 0.00 O ATOM 931 ND2 ASN A 203 -9.302 -3.376 10.856 1.00 0.00 N ATOM 0 H ASN A 203 -4.971 -1.697 7.799 1.00 0.00 H new ATOM 0 HA ASN A 203 -6.145 -1.404 9.657 1.00 0.00 H new ATOM 0 HB2 ASN A 203 -8.044 -2.423 8.252 1.00 0.00 H new ATOM 0 HB3 ASN A 203 -7.702 -3.945 9.049 1.00 0.00 H new ATOM 0 HD21 ASN A 203 -9.905 -3.153 11.648 1.00 0.00 H new ATOM 0 HD22 ASN A 203 -9.307 -4.316 10.461 1.00 0.00 H new ATOM 938 N GLY A 204 -4.227 -3.559 10.255 1.00 0.00 N ATOM 939 CA GLY A 204 -3.506 -4.352 11.235 1.00 0.00 C ATOM 940 C GLY A 204 -3.200 -5.762 10.764 1.00 0.00 C ATOM 941 O GLY A 204 -2.311 -6.419 11.306 1.00 0.00 O ATOM 0 H GLY A 204 -3.666 -3.234 9.468 1.00 0.00 H new ATOM 0 HA2 GLY A 204 -2.571 -3.849 11.482 1.00 0.00 H new ATOM 0 HA3 GLY A 204 -4.092 -4.403 12.152 1.00 0.00 H new ATOM 945 N VAL A 205 -3.933 -6.236 9.761 1.00 0.00 N ATOM 946 CA VAL A 205 -3.719 -7.583 9.242 1.00 0.00 C ATOM 947 C VAL A 205 -2.569 -7.615 8.239 1.00 0.00 C ATOM 948 O VAL A 205 -2.742 -7.286 7.066 1.00 0.00 O ATOM 949 CB VAL A 205 -4.991 -8.149 8.579 1.00 0.00 C ATOM 950 CG1 VAL A 205 -6.110 -8.282 9.600 1.00 0.00 C ATOM 951 CG2 VAL A 205 -5.426 -7.277 7.409 1.00 0.00 C ATOM 0 H VAL A 205 -4.674 -5.713 9.295 1.00 0.00 H new ATOM 0 HA VAL A 205 -3.464 -8.209 10.097 1.00 0.00 H new ATOM 0 HB VAL A 205 -4.762 -9.142 8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -7.000 -8.683 9.114 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -5.797 -8.956 10.397 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -6.337 -7.303 10.021 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -6.325 -7.696 6.957 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -5.635 -6.268 7.765 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -4.629 -7.241 6.666 1.00 0.00 H new ATOM 961 N CYS A 206 -1.391 -8.012 8.714 1.00 0.00 N ATOM 962 CA CYS A 206 -0.208 -8.088 7.863 1.00 0.00 C ATOM 963 C CYS A 206 -0.153 -9.418 7.120 1.00 0.00 C ATOM 964 O CYS A 206 0.211 -10.446 7.692 1.00 0.00 O ATOM 965 CB CYS A 206 1.059 -7.906 8.700 1.00 0.00 C ATOM 966 SG CYS A 206 2.587 -7.899 7.733 1.00 0.00 S ATOM 0 H CYS A 206 -1.231 -8.286 9.683 1.00 0.00 H new ATOM 0 HA CYS A 206 -0.270 -7.286 7.128 1.00 0.00 H new ATOM 0 HB2 CYS A 206 0.986 -6.968 9.251 1.00 0.00 H new ATOM 0 HB3 CYS A 206 1.112 -8.706 9.438 1.00 0.00 H new ATOM 0 HG CYS A 206 3.603 -7.738 8.528 1.00 0.00 H new ATOM 972 N MET A 207 -0.515 -9.389 5.842 1.00 0.00 N ATOM 973 CA MET A 207 -0.505 -10.592 5.018 1.00 0.00 C ATOM 974 C MET A 207 0.232 -10.347 3.704 1.00 0.00 C ATOM 975 O MET A 207 -0.324 -9.780 2.762 1.00 0.00 O ATOM 976 CB MET A 207 -1.936 -11.053 4.737 1.00 0.00 C ATOM 977 CG MET A 207 -2.628 -11.665 5.944 1.00 0.00 C ATOM 978 SD MET A 207 -1.725 -13.067 6.629 1.00 0.00 S ATOM 979 CE MET A 207 -1.815 -12.704 8.381 1.00 0.00 C ATOM 0 H MET A 207 -0.819 -8.546 5.355 1.00 0.00 H new ATOM 0 HA MET A 207 0.020 -11.374 5.566 1.00 0.00 H new ATOM 0 HB2 MET A 207 -2.520 -10.202 4.387 1.00 0.00 H new ATOM 0 HB3 MET A 207 -1.921 -11.784 3.928 1.00 0.00 H new ATOM 0 HG2 MET A 207 -2.746 -10.903 6.715 1.00 0.00 H new ATOM 0 HG3 MET A 207 -3.629 -11.988 5.658 1.00 0.00 H new ATOM 0 HE1 MET A 207 -0.916 -13.072 8.875 1.00 0.00 H new ATOM 0 HE2 MET A 207 -1.894 -11.627 8.526 1.00 0.00 H new ATOM 0 HE3 MET A 207 -2.690 -13.192 8.809 1.00 0.00 H new ATOM 989 N GLU A 208 1.486 -10.782 3.647 1.00 0.00 N ATOM 990 CA GLU A 208 2.299 -10.612 2.449 1.00 0.00 C ATOM 991 C GLU A 208 1.792 -11.499 1.318 1.00 0.00 C ATOM 992 O GLU A 208 2.038 -12.705 1.302 1.00 0.00 O ATOM 993 CB GLU A 208 3.764 -10.936 2.750 1.00 0.00 C ATOM 994 CG GLU A 208 4.700 -10.649 1.587 1.00 0.00 C ATOM 995 CD GLU A 208 6.145 -10.505 2.023 1.00 0.00 C ATOM 996 OE1 GLU A 208 6.384 -9.938 3.111 1.00 0.00 O ATOM 997 OE2 GLU A 208 7.039 -10.959 1.278 1.00 0.00 O ATOM 0 H GLU A 208 1.961 -11.255 4.416 1.00 0.00 H new ATOM 0 HA GLU A 208 2.222 -9.572 2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 208 4.085 -10.357 3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 208 3.847 -11.988 3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 208 4.623 -11.454 0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 208 4.382 -9.734 1.087 1.00 0.00 H new ATOM 1004 N GLY A 209 1.082 -10.893 0.372 1.00 0.00 N ATOM 1005 CA GLY A 209 0.551 -11.642 -0.751 1.00 0.00 C ATOM 1006 C GLY A 209 -0.965 -11.665 -0.775 1.00 0.00 C ATOM 1007 O GLY A 209 -1.568 -12.553 -1.377 1.00 0.00 O ATOM 0 H GLY A 209 0.865 -9.896 0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 209 0.918 -11.206 -1.680 1.00 0.00 H new ATOM 0 HA3 GLY A 209 0.925 -12.665 -0.710 1.00 0.00 H new ATOM 1011 N LYS A 210 -1.586 -10.686 -0.119 1.00 0.00 N ATOM 1012 CA LYS A 210 -3.043 -10.604 -0.072 1.00 0.00 C ATOM 1013 C LYS A 210 -3.638 -10.599 -1.478 1.00 0.00 C ATOM 1014 O LYS A 210 -2.961 -10.260 -2.448 1.00 0.00 O ATOM 1015 CB LYS A 210 -3.478 -9.347 0.683 1.00 0.00 C ATOM 1016 CG LYS A 210 -3.422 -9.499 2.194 1.00 0.00 C ATOM 1017 CD LYS A 210 -4.605 -10.297 2.718 1.00 0.00 C ATOM 1018 CE LYS A 210 -4.288 -11.783 2.792 1.00 0.00 C ATOM 1019 NZ LYS A 210 -5.202 -12.589 1.936 1.00 0.00 N ATOM 0 H LYS A 210 -1.104 -9.942 0.385 1.00 0.00 H new ATOM 0 HA LYS A 210 -3.414 -11.484 0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 210 -2.840 -8.515 0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 210 -4.496 -9.090 0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 210 -2.493 -9.995 2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 210 -3.412 -8.514 2.660 1.00 0.00 H new ATOM 0 HD2 LYS A 210 -4.880 -9.933 3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 210 -5.467 -10.140 2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 210 -3.257 -11.950 2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 210 -4.367 -12.120 3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 -5.032 -13.601 2.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 -6.189 -12.360 2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 -5.024 -12.370 0.935 1.00 0.00 H new ATOM 1033 N GLN A 211 -4.906 -10.982 -1.578 1.00 0.00 N ATOM 1034 CA GLN A 211 -5.594 -11.028 -2.864 1.00 0.00 C ATOM 1035 C GLN A 211 -6.373 -9.741 -3.117 1.00 0.00 C ATOM 1036 O GLN A 211 -6.679 -8.995 -2.187 1.00 0.00 O ATOM 1037 CB GLN A 211 -6.541 -12.231 -2.915 1.00 0.00 C ATOM 1038 CG GLN A 211 -5.842 -13.571 -2.721 1.00 0.00 C ATOM 1039 CD GLN A 211 -5.168 -14.107 -3.972 1.00 0.00 C ATOM 1040 OE1 GLN A 211 -5.014 -13.270 -4.989 1.00 0.00 O flip ATOM 1041 NE2 GLN A 211 -4.787 -15.276 -4.021 1.00 0.00 N flip ATOM 0 H GLN A 211 -5.479 -11.265 -0.783 1.00 0.00 H new ATOM 0 HA GLN A 211 -4.841 -11.131 -3.645 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -7.304 -12.114 -2.145 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -7.056 -12.236 -3.876 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -5.094 -13.468 -1.935 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -6.572 -14.302 -2.373 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -4.923 -15.891 -3.218 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -4.335 -15.630 -4.864 1.00 0.00 H new ATOM 1050 N HIS A 212 -6.693 -9.488 -4.385 1.00 0.00 N ATOM 1051 CA HIS A 212 -7.439 -8.293 -4.770 1.00 0.00 C ATOM 1052 C HIS A 212 -8.690 -8.130 -3.909 1.00 0.00 C ATOM 1053 O HIS A 212 -8.842 -7.136 -3.200 1.00 0.00 O ATOM 1054 CB HIS A 212 -7.830 -8.367 -6.248 1.00 0.00 C ATOM 1055 CG HIS A 212 -8.273 -7.055 -6.819 1.00 0.00 C ATOM 1056 ND1 HIS A 212 -8.656 -5.908 -6.210 1.00 0.00 N flip ATOM 1057 CD2 HIS A 212 -8.362 -6.814 -8.174 1.00 0.00 C flip ATOM 1058 CE1 HIS A 212 -8.966 -5.006 -7.197 1.00 0.00 C flip ATOM 1059 NE2 HIS A 212 -8.779 -5.577 -8.373 1.00 0.00 N flip ATOM 0 H HIS A 212 -6.446 -10.097 -5.165 1.00 0.00 H new ATOM 0 HA HIS A 212 -6.796 -7.427 -4.612 1.00 0.00 H new ATOM 0 HB2 HIS A 212 -6.979 -8.735 -6.822 1.00 0.00 H new ATOM 0 HB3 HIS A 212 -8.633 -9.095 -6.367 1.00 0.00 H new ATOM 0 HD2 HIS A 212 -8.127 -7.526 -8.951 1.00 0.00 H new ATOM 0 HE1 HIS A 212 -9.307 -3.994 -7.038 1.00 0.00 H new ATOM 0 HE2 HIS A 212 -8.931 -5.137 -9.281 1.00 0.00 H new ATOM 1068 N GLY A 213 -9.579 -9.116 -3.974 1.00 0.00 N ATOM 1069 CA GLY A 213 -10.801 -9.066 -3.194 1.00 0.00 C ATOM 1070 C GLY A 213 -10.529 -9.015 -1.706 1.00 0.00 C ATOM 1071 O GLY A 213 -11.269 -8.381 -0.953 1.00 0.00 O ATOM 0 H GLY A 213 -9.474 -9.949 -4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 213 -11.380 -8.190 -3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 213 -11.410 -9.941 -3.420 1.00 0.00 H new ATOM 1075 N ASP A 214 -9.458 -9.677 -1.281 1.00 0.00 N ATOM 1076 CA ASP A 214 -9.084 -9.697 0.127 1.00 0.00 C ATOM 1077 C ASP A 214 -8.804 -8.284 0.618 1.00 0.00 C ATOM 1078 O ASP A 214 -9.317 -7.861 1.653 1.00 0.00 O ATOM 1079 CB ASP A 214 -7.855 -10.581 0.342 1.00 0.00 C ATOM 1080 CG ASP A 214 -8.204 -12.055 0.386 1.00 0.00 C ATOM 1081 OD1 ASP A 214 -8.858 -12.538 -0.562 1.00 0.00 O ATOM 1082 OD2 ASP A 214 -7.822 -12.727 1.367 1.00 0.00 O ATOM 0 H ASP A 214 -8.835 -10.206 -1.891 1.00 0.00 H new ATOM 0 HA ASP A 214 -9.915 -10.111 0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 214 -7.139 -10.404 -0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 214 -7.366 -10.298 1.274 1.00 0.00 H new ATOM 1087 N VAL A 215 -7.998 -7.553 -0.144 1.00 0.00 N ATOM 1088 CA VAL A 215 -7.666 -6.181 0.204 1.00 0.00 C ATOM 1089 C VAL A 215 -8.897 -5.296 0.073 1.00 0.00 C ATOM 1090 O VAL A 215 -9.145 -4.429 0.909 1.00 0.00 O ATOM 1091 CB VAL A 215 -6.540 -5.624 -0.687 1.00 0.00 C ATOM 1092 CG1 VAL A 215 -6.091 -4.259 -0.188 1.00 0.00 C ATOM 1093 CG2 VAL A 215 -5.370 -6.595 -0.736 1.00 0.00 C ATOM 0 H VAL A 215 -7.565 -7.889 -1.004 1.00 0.00 H new ATOM 0 HA VAL A 215 -7.316 -6.180 1.236 1.00 0.00 H new ATOM 0 HB VAL A 215 -6.926 -5.505 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 215 -5.295 -3.881 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 215 -6.934 -3.568 -0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 215 -5.722 -4.348 0.834 1.00 0.00 H new ATOM 0 HG21 VAL A 215 -4.584 -6.185 -1.370 1.00 0.00 H new ATOM 0 HG22 VAL A 215 -4.982 -6.748 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 215 -5.705 -7.548 -1.144 1.00 0.00 H new ATOM 1103 N VAL A 216 -9.677 -5.535 -0.978 1.00 0.00 N ATOM 1104 CA VAL A 216 -10.894 -4.772 -1.212 1.00 0.00 C ATOM 1105 C VAL A 216 -11.878 -4.984 -0.069 1.00 0.00 C ATOM 1106 O VAL A 216 -12.475 -4.033 0.436 1.00 0.00 O ATOM 1107 CB VAL A 216 -11.566 -5.172 -2.541 1.00 0.00 C ATOM 1108 CG1 VAL A 216 -12.792 -4.310 -2.806 1.00 0.00 C ATOM 1109 CG2 VAL A 216 -10.575 -5.068 -3.691 1.00 0.00 C ATOM 0 H VAL A 216 -9.486 -6.251 -1.679 1.00 0.00 H new ATOM 0 HA VAL A 216 -10.614 -3.720 -1.268 1.00 0.00 H new ATOM 0 HB VAL A 216 -11.892 -6.209 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 216 -13.250 -4.609 -3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 216 -13.510 -4.440 -1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 216 -12.495 -3.263 -2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 216 -11.066 -5.354 -4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 216 -10.216 -4.042 -3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 216 -9.732 -5.734 -3.506 1.00 0.00 H new ATOM 1119 N SER A 217 -12.035 -6.240 0.341 1.00 0.00 N ATOM 1120 CA SER A 217 -12.939 -6.573 1.435 1.00 0.00 C ATOM 1121 C SER A 217 -12.422 -5.994 2.747 1.00 0.00 C ATOM 1122 O SER A 217 -13.195 -5.506 3.571 1.00 0.00 O ATOM 1123 CB SER A 217 -13.097 -8.089 1.560 1.00 0.00 C ATOM 1124 OG SER A 217 -13.744 -8.632 0.422 1.00 0.00 O ATOM 0 H SER A 217 -11.550 -7.039 -0.066 1.00 0.00 H new ATOM 0 HA SER A 217 -13.914 -6.137 1.216 1.00 0.00 H new ATOM 0 HB2 SER A 217 -12.117 -8.551 1.679 1.00 0.00 H new ATOM 0 HB3 SER A 217 -13.672 -8.325 2.456 1.00 0.00 H new ATOM 0 HG SER A 217 -13.107 -8.689 -0.320 1.00 0.00 H new ATOM 1130 N ALA A 218 -11.105 -6.049 2.929 1.00 0.00 N ATOM 1131 CA ALA A 218 -10.477 -5.526 4.136 1.00 0.00 C ATOM 1132 C ALA A 218 -10.804 -4.049 4.322 1.00 0.00 C ATOM 1133 O ALA A 218 -11.203 -3.622 5.405 1.00 0.00 O ATOM 1134 CB ALA A 218 -8.971 -5.734 4.080 1.00 0.00 C ATOM 0 H ALA A 218 -10.453 -6.451 2.255 1.00 0.00 H new ATOM 0 HA ALA A 218 -10.874 -6.072 4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 218 -8.515 -5.339 4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 218 -8.754 -6.799 3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 218 -8.564 -5.214 3.213 1.00 0.00 H new ATOM 1140 N ILE A 219 -10.637 -3.273 3.254 1.00 0.00 N ATOM 1141 CA ILE A 219 -10.922 -1.844 3.299 1.00 0.00 C ATOM 1142 C ILE A 219 -12.398 -1.599 3.592 1.00 0.00 C ATOM 1143 O ILE A 219 -12.755 -0.657 4.300 1.00 0.00 O ATOM 1144 CB ILE A 219 -10.545 -1.150 1.972 1.00 0.00 C ATOM 1145 CG1 ILE A 219 -9.062 -1.368 1.661 1.00 0.00 C ATOM 1146 CG2 ILE A 219 -10.864 0.337 2.034 1.00 0.00 C ATOM 1147 CD1 ILE A 219 -8.129 -0.691 2.641 1.00 0.00 C ATOM 0 H ILE A 219 -10.307 -3.610 2.350 1.00 0.00 H new ATOM 0 HA ILE A 219 -10.316 -1.420 4.099 1.00 0.00 H new ATOM 0 HB ILE A 219 -11.137 -1.593 1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -8.855 -2.438 1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -8.852 -0.997 0.658 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -10.591 0.807 1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 219 -11.931 0.473 2.212 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -10.299 0.797 2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -7.096 -0.890 2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -8.308 0.384 2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 219 -8.310 -1.079 3.643 1.00 0.00 H new ATOM 1159 N ARG A 220 -13.252 -2.459 3.047 1.00 0.00 N ATOM 1160 CA ARG A 220 -14.690 -2.342 3.253 1.00 0.00 C ATOM 1161 C ARG A 220 -15.035 -2.518 4.727 1.00 0.00 C ATOM 1162 O ARG A 220 -15.797 -1.736 5.295 1.00 0.00 O ATOM 1163 CB ARG A 220 -15.436 -3.380 2.414 1.00 0.00 C ATOM 1164 CG ARG A 220 -16.928 -3.108 2.297 1.00 0.00 C ATOM 1165 CD ARG A 220 -17.546 -3.864 1.131 1.00 0.00 C ATOM 1166 NE ARG A 220 -18.635 -4.738 1.560 1.00 0.00 N ATOM 1167 CZ ARG A 220 -18.452 -5.930 2.123 1.00 0.00 C ATOM 1168 NH1 ARG A 220 -17.225 -6.392 2.330 1.00 0.00 N ATOM 1169 NH2 ARG A 220 -19.498 -6.662 2.481 1.00 0.00 N ATOM 0 H ARG A 220 -12.973 -3.245 2.459 1.00 0.00 H new ATOM 0 HA ARG A 220 -15.000 -1.346 2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 220 -15.001 -3.409 1.415 1.00 0.00 H new ATOM 0 HB3 ARG A 220 -15.288 -4.366 2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 220 -17.425 -3.397 3.223 1.00 0.00 H new ATOM 0 HG3 ARG A 220 -17.094 -2.039 2.167 1.00 0.00 H new ATOM 0 HD2 ARG A 220 -17.921 -3.152 0.396 1.00 0.00 H new ATOM 0 HD3 ARG A 220 -16.778 -4.458 0.636 1.00 0.00 H new ATOM 0 HE ARG A 220 -19.592 -4.416 1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 220 -16.417 -5.833 2.057 1.00 0.00 H new ATOM 0 HH12 ARG A 220 -17.090 -7.306 2.762 1.00 0.00 H new ATOM 0 HH21 ARG A 220 -20.443 -6.312 2.325 1.00 0.00 H new ATOM 0 HH22 ARG A 220 -19.358 -7.576 2.912 1.00 0.00 H new ATOM 1183 N ALA A 221 -14.465 -3.550 5.343 1.00 0.00 N ATOM 1184 CA ALA A 221 -14.708 -3.827 6.754 1.00 0.00 C ATOM 1185 C ALA A 221 -13.774 -3.017 7.654 1.00 0.00 C ATOM 1186 O ALA A 221 -13.771 -3.192 8.873 1.00 0.00 O ATOM 1187 CB ALA A 221 -14.550 -5.314 7.033 1.00 0.00 C ATOM 0 H ALA A 221 -13.832 -4.207 4.887 1.00 0.00 H new ATOM 0 HA ALA A 221 -15.731 -3.528 6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -14.734 -5.507 8.090 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -15.265 -5.875 6.431 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -13.537 -5.626 6.778 1.00 0.00 H new ATOM 1193 N GLY A 222 -12.981 -2.132 7.051 1.00 0.00 N ATOM 1194 CA GLY A 222 -12.058 -1.317 7.821 1.00 0.00 C ATOM 1195 C GLY A 222 -12.651 0.020 8.228 1.00 0.00 C ATOM 1196 O GLY A 222 -11.920 0.957 8.547 1.00 0.00 O ATOM 0 H GLY A 222 -12.962 -1.966 6.045 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -11.758 -1.863 8.715 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -11.156 -1.145 7.234 1.00 0.00 H new ATOM 1200 N GLY A 223 -13.979 0.110 8.218 1.00 0.00 N ATOM 1201 CA GLY A 223 -14.646 1.346 8.592 1.00 0.00 C ATOM 1202 C GLY A 223 -14.093 2.559 7.865 1.00 0.00 C ATOM 1203 O GLY A 223 -13.735 2.477 6.690 1.00 0.00 O ATOM 0 H GLY A 223 -14.605 -0.652 7.957 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -15.712 1.256 8.380 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -14.546 1.496 9.667 1.00 0.00 H new ATOM 1207 N ASP A 224 -14.028 3.687 8.565 1.00 0.00 N ATOM 1208 CA ASP A 224 -13.522 4.924 7.980 1.00 0.00 C ATOM 1209 C ASP A 224 -12.009 5.042 8.152 1.00 0.00 C ATOM 1210 O ASP A 224 -11.346 5.757 7.402 1.00 0.00 O ATOM 1211 CB ASP A 224 -14.213 6.132 8.615 1.00 0.00 C ATOM 1212 CG ASP A 224 -15.652 6.279 8.160 1.00 0.00 C ATOM 1213 OD1 ASP A 224 -16.521 5.560 8.698 1.00 0.00 O ATOM 1214 OD2 ASP A 224 -15.911 7.113 7.267 1.00 0.00 O ATOM 0 H ASP A 224 -14.320 3.770 9.539 1.00 0.00 H new ATOM 0 HA ASP A 224 -13.743 4.902 6.913 1.00 0.00 H new ATOM 0 HB2 ASP A 224 -14.186 6.034 9.700 1.00 0.00 H new ATOM 0 HB3 ASP A 224 -13.661 7.037 8.363 1.00 0.00 H new ATOM 1219 N GLU A 225 -11.468 4.341 9.142 1.00 0.00 N ATOM 1220 CA GLU A 225 -10.032 4.375 9.405 1.00 0.00 C ATOM 1221 C GLU A 225 -9.376 3.057 9.009 1.00 0.00 C ATOM 1222 O GLU A 225 -9.669 2.010 9.587 1.00 0.00 O ATOM 1223 CB GLU A 225 -9.770 4.665 10.884 1.00 0.00 C ATOM 1224 CG GLU A 225 -8.345 5.108 11.172 1.00 0.00 C ATOM 1225 CD GLU A 225 -8.062 5.234 12.656 1.00 0.00 C ATOM 1226 OE1 GLU A 225 -8.027 4.193 13.345 1.00 0.00 O ATOM 1227 OE2 GLU A 225 -7.876 6.375 13.130 1.00 0.00 O ATOM 0 H GLU A 225 -12.000 3.743 9.775 1.00 0.00 H new ATOM 0 HA GLU A 225 -9.596 5.172 8.803 1.00 0.00 H new ATOM 0 HB2 GLU A 225 -10.458 5.440 11.222 1.00 0.00 H new ATOM 0 HB3 GLU A 225 -9.988 3.769 11.466 1.00 0.00 H new ATOM 0 HG2 GLU A 225 -7.650 4.392 10.733 1.00 0.00 H new ATOM 0 HG3 GLU A 225 -8.162 6.067 10.688 1.00 0.00 H new ATOM 1234 N THR A 226 -8.491 3.113 8.019 1.00 0.00 N ATOM 1235 CA THR A 226 -7.800 1.918 7.548 1.00 0.00 C ATOM 1236 C THR A 226 -6.287 2.052 7.699 1.00 0.00 C ATOM 1237 O THR A 226 -5.656 2.876 7.038 1.00 0.00 O ATOM 1238 CB THR A 226 -8.152 1.645 6.085 1.00 0.00 C ATOM 1239 OG1 THR A 226 -9.557 1.622 5.903 1.00 0.00 O ATOM 1240 CG2 THR A 226 -7.601 0.332 5.574 1.00 0.00 C ATOM 0 H THR A 226 -8.236 3.970 7.529 1.00 0.00 H new ATOM 0 HA THR A 226 -8.130 1.081 8.163 1.00 0.00 H new ATOM 0 HB THR A 226 -7.695 2.457 5.520 1.00 0.00 H new ATOM 0 HG1 THR A 226 -9.762 1.448 4.961 1.00 0.00 H new ATOM 0 HG21 THR A 226 -7.886 0.199 4.530 1.00 0.00 H new ATOM 0 HG22 THR A 226 -6.514 0.337 5.655 1.00 0.00 H new ATOM 0 HG23 THR A 226 -8.005 -0.488 6.168 1.00 0.00 H new ATOM 1248 N LYS A 227 -5.712 1.225 8.568 1.00 0.00 N ATOM 1249 CA LYS A 227 -4.271 1.236 8.803 1.00 0.00 C ATOM 1250 C LYS A 227 -3.566 0.347 7.786 1.00 0.00 C ATOM 1251 O LYS A 227 -3.533 -0.874 7.934 1.00 0.00 O ATOM 1252 CB LYS A 227 -3.957 0.755 10.221 1.00 0.00 C ATOM 1253 CG LYS A 227 -4.930 1.270 11.268 1.00 0.00 C ATOM 1254 CD LYS A 227 -4.337 1.196 12.667 1.00 0.00 C ATOM 1255 CE LYS A 227 -3.893 2.565 13.157 1.00 0.00 C ATOM 1256 NZ LYS A 227 -3.004 2.467 14.349 1.00 0.00 N ATOM 0 H LYS A 227 -6.223 0.538 9.122 1.00 0.00 H new ATOM 0 HA LYS A 227 -3.911 2.259 8.692 1.00 0.00 H new ATOM 0 HB2 LYS A 227 -3.964 -0.335 10.236 1.00 0.00 H new ATOM 0 HB3 LYS A 227 -2.949 1.071 10.488 1.00 0.00 H new ATOM 0 HG2 LYS A 227 -5.199 2.301 11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 227 -5.849 0.685 11.230 1.00 0.00 H new ATOM 0 HD2 LYS A 227 -5.075 0.784 13.355 1.00 0.00 H new ATOM 0 HD3 LYS A 227 -3.486 0.515 12.667 1.00 0.00 H new ATOM 0 HE2 LYS A 227 -3.369 3.085 12.355 1.00 0.00 H new ATOM 0 HE3 LYS A 227 -4.769 3.163 13.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 -2.723 3.421 14.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 -3.512 1.993 15.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 -2.155 1.918 14.105 1.00 0.00 H new ATOM 1270 N LEU A 228 -3.017 0.961 6.745 1.00 0.00 N ATOM 1271 CA LEU A 228 -2.333 0.216 5.696 1.00 0.00 C ATOM 1272 C LEU A 228 -0.818 0.358 5.791 1.00 0.00 C ATOM 1273 O LEU A 228 -0.298 1.439 6.063 1.00 0.00 O ATOM 1274 CB LEU A 228 -2.804 0.695 4.323 1.00 0.00 C ATOM 1275 CG LEU A 228 -4.298 0.521 4.050 1.00 0.00 C ATOM 1276 CD1 LEU A 228 -4.745 1.440 2.924 1.00 0.00 C ATOM 1277 CD2 LEU A 228 -4.611 -0.928 3.712 1.00 0.00 C ATOM 0 H LEU A 228 -3.032 1.971 6.605 1.00 0.00 H new ATOM 0 HA LEU A 228 -2.581 -0.837 5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -2.552 1.750 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -2.246 0.157 3.557 1.00 0.00 H new ATOM 0 HG LEU A 228 -4.847 0.791 4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -5.811 1.302 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -4.555 2.476 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -4.190 1.201 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -5.679 -1.034 3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -4.052 -1.223 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -4.327 -1.566 4.549 1.00 0.00 H new ATOM 1289 N LEU A 229 -0.118 -0.741 5.535 1.00 0.00 N ATOM 1290 CA LEU A 229 1.341 -0.750 5.556 1.00 0.00 C ATOM 1291 C LEU A 229 1.867 -1.049 4.158 1.00 0.00 C ATOM 1292 O LEU A 229 1.730 -2.166 3.666 1.00 0.00 O ATOM 1293 CB LEU A 229 1.861 -1.800 6.543 1.00 0.00 C ATOM 1294 CG LEU A 229 3.379 -2.002 6.545 1.00 0.00 C ATOM 1295 CD1 LEU A 229 4.062 -0.913 7.355 1.00 0.00 C ATOM 1296 CD2 LEU A 229 3.731 -3.376 7.092 1.00 0.00 C ATOM 0 H LEU A 229 -0.539 -1.642 5.309 1.00 0.00 H new ATOM 0 HA LEU A 229 1.694 0.230 5.878 1.00 0.00 H new ATOM 0 HB2 LEU A 229 1.548 -1.517 7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 229 1.384 -2.754 6.317 1.00 0.00 H new ATOM 0 HG LEU A 229 3.737 -1.938 5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 229 5.140 -1.074 7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 229 3.836 0.060 6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 229 3.701 -0.943 8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 229 4.814 -3.503 7.087 1.00 0.00 H new ATOM 0 HD22 LEU A 229 3.360 -3.467 8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 229 3.272 -4.144 6.469 1.00 0.00 H new ATOM 1308 N VAL A 230 2.454 -0.048 3.514 1.00 0.00 N ATOM 1309 CA VAL A 230 2.976 -0.226 2.164 1.00 0.00 C ATOM 1310 C VAL A 230 4.488 -0.038 2.114 1.00 0.00 C ATOM 1311 O VAL A 230 5.102 0.422 3.077 1.00 0.00 O ATOM 1312 CB VAL A 230 2.313 0.751 1.173 1.00 0.00 C ATOM 1313 CG1 VAL A 230 0.810 0.524 1.124 1.00 0.00 C ATOM 1314 CG2 VAL A 230 2.629 2.193 1.544 1.00 0.00 C ATOM 0 H VAL A 230 2.580 0.888 3.900 1.00 0.00 H new ATOM 0 HA VAL A 230 2.739 -1.249 1.873 1.00 0.00 H new ATOM 0 HB VAL A 230 2.720 0.560 0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 230 0.359 1.223 0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 230 0.607 -0.497 0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 230 0.385 0.684 2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 230 2.151 2.865 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 230 2.255 2.401 2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 230 3.708 2.347 1.520 1.00 0.00 H new ATOM 1324 N VAL A 231 5.079 -0.397 0.979 1.00 0.00 N ATOM 1325 CA VAL A 231 6.519 -0.271 0.789 1.00 0.00 C ATOM 1326 C VAL A 231 6.837 0.319 -0.581 1.00 0.00 C ATOM 1327 O VAL A 231 6.063 0.169 -1.526 1.00 0.00 O ATOM 1328 CB VAL A 231 7.234 -1.632 0.919 1.00 0.00 C ATOM 1329 CG1 VAL A 231 8.713 -1.431 1.208 1.00 0.00 C ATOM 1330 CG2 VAL A 231 6.585 -2.485 2.000 1.00 0.00 C ATOM 0 H VAL A 231 4.581 -0.779 0.175 1.00 0.00 H new ATOM 0 HA VAL A 231 6.881 0.395 1.572 1.00 0.00 H new ATOM 0 HB VAL A 231 7.137 -2.160 -0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 231 9.202 -2.401 1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 231 9.170 -0.868 0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 231 8.830 -0.880 2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 231 7.107 -3.439 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 231 6.643 -1.966 2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 231 5.540 -2.661 1.746 1.00 0.00 H new ATOM 1340 N ASP A 232 7.981 0.987 -0.683 1.00 0.00 N ATOM 1341 CA ASP A 232 8.399 1.595 -1.941 1.00 0.00 C ATOM 1342 C ASP A 232 8.775 0.525 -2.960 1.00 0.00 C ATOM 1343 O ASP A 232 9.793 -0.151 -2.821 1.00 0.00 O ATOM 1344 CB ASP A 232 9.584 2.531 -1.707 1.00 0.00 C ATOM 1345 CG ASP A 232 10.017 3.246 -2.972 1.00 0.00 C ATOM 1346 OD1 ASP A 232 9.207 3.318 -3.920 1.00 0.00 O ATOM 1347 OD2 ASP A 232 11.166 3.732 -3.016 1.00 0.00 O ATOM 0 H ASP A 232 8.634 1.121 0.089 1.00 0.00 H new ATOM 0 HA ASP A 232 7.562 2.171 -2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 232 9.317 3.268 -0.950 1.00 0.00 H new ATOM 0 HB3 ASP A 232 10.423 1.958 -1.312 1.00 0.00 H new ATOM 1352 N ARG A 233 7.940 0.378 -3.983 1.00 0.00 N ATOM 1353 CA ARG A 233 8.171 -0.609 -5.032 1.00 0.00 C ATOM 1354 C ARG A 233 8.772 0.039 -6.280 1.00 0.00 C ATOM 1355 O ARG A 233 9.330 -0.645 -7.138 1.00 0.00 O ATOM 1356 CB ARG A 233 6.858 -1.301 -5.392 1.00 0.00 C ATOM 1357 CG ARG A 233 7.040 -2.637 -6.091 1.00 0.00 C ATOM 1358 CD ARG A 233 5.756 -3.086 -6.769 1.00 0.00 C ATOM 1359 NE ARG A 233 5.610 -2.503 -8.101 1.00 0.00 N ATOM 1360 CZ ARG A 233 4.444 -2.367 -8.728 1.00 0.00 C ATOM 1361 NH1 ARG A 233 3.319 -2.766 -8.148 1.00 0.00 N ATOM 1362 NH2 ARG A 233 4.402 -1.828 -9.939 1.00 0.00 N ATOM 0 H ARG A 233 7.093 0.933 -4.108 1.00 0.00 H new ATOM 0 HA ARG A 233 8.881 -1.344 -4.654 1.00 0.00 H new ATOM 0 HB2 ARG A 233 6.277 -1.454 -4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 233 6.275 -0.642 -6.035 1.00 0.00 H new ATOM 0 HG2 ARG A 233 7.836 -2.557 -6.832 1.00 0.00 H new ATOM 0 HG3 ARG A 233 7.353 -3.389 -5.367 1.00 0.00 H new ATOM 0 HD2 ARG A 233 5.747 -4.173 -6.846 1.00 0.00 H new ATOM 0 HD3 ARG A 233 4.902 -2.803 -6.153 1.00 0.00 H new ATOM 0 HE ARG A 233 6.452 -2.181 -8.579 1.00 0.00 H new ATOM 0 HH11 ARG A 233 3.345 -3.180 -7.216 1.00 0.00 H new ATOM 0 HH12 ARG A 233 2.429 -2.659 -8.634 1.00 0.00 H new ATOM 0 HH21 ARG A 233 5.263 -1.518 -10.389 1.00 0.00 H new ATOM 0 HH22 ARG A 233 3.509 -1.724 -10.420 1.00 0.00 H new