USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 364 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 212 CYS SG : rot 140:sc= -1.16 USER MOD Set 1.2: A 214 ASN : amide:sc= -0.211 K(o=0.52,f=-0.72) USER MOD Set 1.3: A 239 CYS SG : rot -63:sc= 0.363 USER MOD Set 1.4: A 242 CYS SG : rot 90:sc= 1.53 USER MOD Set 2.1: A 206 TYR OH : rot 179:sc= 0.0937 USER MOD Set 2.2: A 209 MET CE :methyl -166:sc= -0.0383 (180deg=-0.629) USER MOD Set 3.1: A 203 GLN : amide:sc= -2.73 K(o=-4.9,f=-5.4!) USER MOD Set 3.2: A 223 HIS : no HD1:sc= -2.14 X(o=-4.9,f=-4.4) USER MOD Set 4.1: A 199 CYS SG : rot -161:sc= 0.377 USER MOD Set 4.2: A 201 CYS SG : rot 116:sc= 0.0649 USER MOD Set 4.3: A 226 CYS SG : rot 135:sc= 0.673 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.0449 X(o=-0.045,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 217 CYS SG : rot 120:sc= 0.169 USER MOD Single : A 218 SER OG : rot -44:sc= 0.152 USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 THR OG1 : rot 180:sc= 0 USER MOD Single : A 232 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 LYS NZ :NH3+ 157:sc= 0.975 (180deg=0.479) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= -0.0227 X(o=-0.023,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 196 9.815 17.275 6.703 1.00 0.00 N ATOM 135 CA PRO A 196 9.129 18.079 7.711 1.00 0.00 C ATOM 136 C PRO A 196 8.095 19.019 7.076 1.00 0.00 C ATOM 137 O PRO A 196 8.284 19.513 5.963 1.00 0.00 O ATOM 138 CB PRO A 196 10.237 18.866 8.416 1.00 0.00 C ATOM 139 CG PRO A 196 11.279 19.064 7.318 1.00 0.00 C ATOM 140 CD PRO A 196 11.167 17.779 6.497 1.00 0.00 C ATOM 0 HA PRO A 196 8.567 17.456 8.407 1.00 0.00 H new ATOM 0 HB2 PRO A 196 9.872 19.818 8.801 1.00 0.00 H new ATOM 0 HB3 PRO A 196 10.645 18.315 9.263 1.00 0.00 H new ATOM 0 HG2 PRO A 196 11.067 19.947 6.715 1.00 0.00 H new ATOM 0 HG3 PRO A 196 12.280 19.193 7.731 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.351 17.976 5.441 1.00 0.00 H new ATOM 0 HD3 PRO A 196 11.908 17.047 6.819 1.00 0.00 H new ATOM 148 N THR A 197 7.023 19.303 7.828 1.00 0.00 N ATOM 149 CA THR A 197 5.841 20.015 7.365 1.00 0.00 C ATOM 150 C THR A 197 5.497 21.165 8.319 1.00 0.00 C ATOM 151 O THR A 197 6.102 21.320 9.381 1.00 0.00 O ATOM 152 CB THR A 197 4.650 19.041 7.228 1.00 0.00 C ATOM 153 OG1 THR A 197 4.329 18.449 8.472 1.00 0.00 O ATOM 154 CG2 THR A 197 4.889 17.931 6.199 1.00 0.00 C ATOM 0 H THR A 197 6.960 19.030 8.809 1.00 0.00 H new ATOM 0 HA THR A 197 6.052 20.441 6.384 1.00 0.00 H new ATOM 0 HB THR A 197 3.818 19.650 6.875 1.00 0.00 H new ATOM 0 HG1 THR A 197 3.571 17.838 8.358 1.00 0.00 H new ATOM 0 HG21 THR A 197 4.014 17.283 6.153 1.00 0.00 H new ATOM 0 HG22 THR A 197 5.064 18.375 5.219 1.00 0.00 H new ATOM 0 HG23 THR A 197 5.760 17.345 6.492 1.00 0.00 H new ATOM 162 N TYR A 198 4.502 21.963 7.916 1.00 0.00 N ATOM 163 CA TYR A 198 4.171 23.240 8.550 1.00 0.00 C ATOM 164 C TYR A 198 2.668 23.417 8.810 1.00 0.00 C ATOM 165 O TYR A 198 2.258 23.180 9.941 1.00 0.00 O ATOM 166 CB TYR A 198 4.748 24.364 7.690 1.00 0.00 C ATOM 167 CG TYR A 198 6.264 24.357 7.593 1.00 0.00 C ATOM 168 CD1 TYR A 198 7.033 25.019 8.568 1.00 0.00 C ATOM 169 CD2 TYR A 198 6.904 23.670 6.542 1.00 0.00 C ATOM 170 CE1 TYR A 198 8.437 24.994 8.499 1.00 0.00 C ATOM 171 CE2 TYR A 198 8.307 23.628 6.474 1.00 0.00 C ATOM 172 CZ TYR A 198 9.080 24.295 7.452 1.00 0.00 C ATOM 173 OH TYR A 198 10.442 24.261 7.389 1.00 0.00 O ATOM 0 H TYR A 198 3.896 21.735 7.128 1.00 0.00 H new ATOM 0 HA TYR A 198 4.621 23.266 9.542 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.330 24.289 6.686 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.426 25.322 8.099 1.00 0.00 H new ATOM 0 HD1 TYR A 198 6.543 25.548 9.372 1.00 0.00 H new ATOM 0 HD2 TYR A 198 6.314 23.174 5.786 1.00 0.00 H new ATOM 0 HE1 TYR A 198 9.024 25.509 9.245 1.00 0.00 H new ATOM 0 HE2 TYR A 198 8.794 23.087 5.676 1.00 0.00 H new ATOM 0 HH TYR A 198 10.720 23.737 6.609 1.00 0.00 H new ATOM 183 N CYS A 199 1.859 23.834 7.813 1.00 0.00 N ATOM 184 CA CYS A 199 0.417 24.064 7.941 1.00 0.00 C ATOM 185 C CYS A 199 -0.336 22.837 8.464 1.00 0.00 C ATOM 186 O CYS A 199 0.180 21.721 8.448 1.00 0.00 O ATOM 187 CB CYS A 199 -0.229 24.655 6.661 1.00 0.00 C ATOM 188 SG CYS A 199 -1.690 25.637 7.132 1.00 0.00 S ATOM 0 H CYS A 199 2.208 24.023 6.873 1.00 0.00 H new ATOM 0 HA CYS A 199 0.316 24.835 8.705 1.00 0.00 H new ATOM 0 HB2 CYS A 199 0.490 25.280 6.131 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -0.517 23.854 5.981 1.00 0.00 H new ATOM 0 HG CYS A 199 -2.458 25.796 6.095 1.00 0.00 H new ATOM 193 N LEU A 200 -1.595 23.059 8.866 1.00 0.00 N ATOM 194 CA LEU A 200 -2.558 22.009 9.212 1.00 0.00 C ATOM 195 C LEU A 200 -2.820 21.034 8.051 1.00 0.00 C ATOM 196 O LEU A 200 -3.423 19.981 8.246 1.00 0.00 O ATOM 197 CB LEU A 200 -3.849 22.640 9.771 1.00 0.00 C ATOM 198 CG LEU A 200 -4.636 23.492 8.752 1.00 0.00 C ATOM 199 CD1 LEU A 200 -5.667 22.684 7.947 1.00 0.00 C ATOM 200 CD2 LEU A 200 -5.375 24.640 9.457 1.00 0.00 C ATOM 0 H LEU A 200 -1.980 23.999 8.961 1.00 0.00 H new ATOM 0 HA LEU A 200 -2.119 21.394 9.998 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -4.498 21.845 10.139 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.593 23.264 10.627 1.00 0.00 H new ATOM 0 HG LEU A 200 -3.888 23.877 8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -6.183 23.345 7.250 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -5.158 21.897 7.391 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -6.391 22.237 8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -5.923 25.227 8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -6.074 24.230 10.186 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -4.653 25.279 9.966 1.00 0.00 H new ATOM 212 N CYS A 201 -2.345 21.398 6.853 1.00 0.00 N ATOM 213 CA CYS A 201 -2.386 20.612 5.632 1.00 0.00 C ATOM 214 C CYS A 201 -1.340 19.489 5.605 1.00 0.00 C ATOM 215 O CYS A 201 -1.471 18.558 4.813 1.00 0.00 O ATOM 216 CB CYS A 201 -2.042 21.568 4.497 1.00 0.00 C ATOM 217 SG CYS A 201 -3.233 22.925 4.334 1.00 0.00 S ATOM 0 H CYS A 201 -1.897 22.303 6.711 1.00 0.00 H new ATOM 0 HA CYS A 201 -3.371 20.152 5.550 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -1.048 21.982 4.666 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -2.001 21.012 3.560 1.00 0.00 H new ATOM 0 HG CYS A 201 -2.639 24.055 4.579 1.00 0.00 H new ATOM 223 N HIS A 202 -0.304 19.607 6.447 1.00 0.00 N ATOM 224 CA HIS A 202 0.868 18.745 6.516 1.00 0.00 C ATOM 225 C HIS A 202 1.613 18.697 5.174 1.00 0.00 C ATOM 226 O HIS A 202 1.728 17.641 4.552 1.00 0.00 O ATOM 227 CB HIS A 202 0.521 17.371 7.120 1.00 0.00 C ATOM 228 CG HIS A 202 -0.213 17.418 8.444 1.00 0.00 C ATOM 229 ND1 HIS A 202 -1.042 16.438 8.939 1.00 0.00 N ATOM 230 CD2 HIS A 202 -0.194 18.425 9.374 1.00 0.00 C ATOM 231 CE1 HIS A 202 -1.508 16.854 10.129 1.00 0.00 C ATOM 232 NE2 HIS A 202 -1.020 18.065 10.441 1.00 0.00 N ATOM 0 H HIS A 202 -0.267 20.356 7.138 1.00 0.00 H new ATOM 0 HA HIS A 202 1.585 19.181 7.212 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -0.089 16.820 6.404 1.00 0.00 H new ATOM 0 HB3 HIS A 202 1.444 16.807 7.254 1.00 0.00 H new ATOM 0 HD2 HIS A 202 0.367 19.345 9.295 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -2.185 16.289 10.752 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -1.212 18.609 11.282 1.00 0.00 H new ATOM 240 N GLN A 203 2.111 19.867 4.740 1.00 0.00 N ATOM 241 CA GLN A 203 2.915 20.047 3.537 1.00 0.00 C ATOM 242 C GLN A 203 4.241 20.769 3.825 1.00 0.00 C ATOM 243 O GLN A 203 4.394 21.419 4.860 1.00 0.00 O ATOM 244 CB GLN A 203 2.082 20.720 2.424 1.00 0.00 C ATOM 245 CG GLN A 203 2.043 22.261 2.402 1.00 0.00 C ATOM 246 CD GLN A 203 1.328 22.918 3.581 1.00 0.00 C ATOM 247 OE1 GLN A 203 0.225 23.440 3.434 1.00 0.00 O ATOM 248 NE2 GLN A 203 1.957 22.970 4.751 1.00 0.00 N ATOM 0 H GLN A 203 1.954 20.741 5.242 1.00 0.00 H new ATOM 0 HA GLN A 203 3.202 19.062 3.169 1.00 0.00 H new ATOM 0 HB2 GLN A 203 2.466 20.379 1.463 1.00 0.00 H new ATOM 0 HB3 GLN A 203 1.057 20.358 2.504 1.00 0.00 H new ATOM 0 HG2 GLN A 203 3.067 22.632 2.368 1.00 0.00 H new ATOM 0 HG3 GLN A 203 1.557 22.582 1.481 1.00 0.00 H new ATOM 0 HE21 GLN A 203 2.872 22.532 4.858 1.00 0.00 H new ATOM 0 HE22 GLN A 203 1.525 23.448 5.542 1.00 0.00 H new ATOM 257 N VAL A 204 5.184 20.654 2.881 1.00 0.00 N ATOM 258 CA VAL A 204 6.545 21.196 2.954 1.00 0.00 C ATOM 259 C VAL A 204 6.564 22.740 2.943 1.00 0.00 C ATOM 260 O VAL A 204 5.520 23.389 2.864 1.00 0.00 O ATOM 261 CB VAL A 204 7.438 20.629 1.806 1.00 0.00 C ATOM 262 CG1 VAL A 204 8.831 20.256 2.344 1.00 0.00 C ATOM 263 CG2 VAL A 204 6.875 19.413 1.044 1.00 0.00 C ATOM 0 H VAL A 204 5.010 20.158 2.007 1.00 0.00 H new ATOM 0 HA VAL A 204 6.959 20.874 3.909 1.00 0.00 H new ATOM 0 HB VAL A 204 7.477 21.445 1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 204 9.441 19.862 1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 204 9.309 21.142 2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 204 8.730 19.499 3.122 1.00 0.00 H new ATOM 0 HG21 VAL A 204 7.581 19.109 0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 204 6.720 18.588 1.739 1.00 0.00 H new ATOM 0 HG23 VAL A 204 5.925 19.681 0.581 1.00 0.00 H new ATOM 273 N SER A 205 7.775 23.314 3.009 1.00 0.00 N ATOM 274 CA SER A 205 8.083 24.743 2.925 1.00 0.00 C ATOM 275 C SER A 205 7.413 25.457 1.737 1.00 0.00 C ATOM 276 O SER A 205 7.095 24.854 0.712 1.00 0.00 O ATOM 277 CB SER A 205 9.605 24.939 2.909 1.00 0.00 C ATOM 278 OG SER A 205 10.193 24.315 1.785 1.00 0.00 O ATOM 0 H SER A 205 8.618 22.752 3.130 1.00 0.00 H new ATOM 0 HA SER A 205 7.659 25.214 3.812 1.00 0.00 H new ATOM 0 HB2 SER A 205 9.836 26.004 2.898 1.00 0.00 H new ATOM 0 HB3 SER A 205 10.036 24.528 3.822 1.00 0.00 H new ATOM 0 HG SER A 205 11.162 24.458 1.801 1.00 0.00 H new ATOM 284 N TYR A 206 7.197 26.767 1.917 1.00 0.00 N ATOM 285 CA TYR A 206 6.366 27.620 1.067 1.00 0.00 C ATOM 286 C TYR A 206 6.761 29.099 1.226 1.00 0.00 C ATOM 287 O TYR A 206 7.557 29.449 2.098 1.00 0.00 O ATOM 288 CB TYR A 206 4.880 27.397 1.426 1.00 0.00 C ATOM 289 CG TYR A 206 4.518 27.604 2.891 1.00 0.00 C ATOM 290 CD1 TYR A 206 4.919 26.655 3.851 1.00 0.00 C ATOM 291 CD2 TYR A 206 3.779 28.730 3.304 1.00 0.00 C ATOM 292 CE1 TYR A 206 4.652 26.851 5.209 1.00 0.00 C ATOM 293 CE2 TYR A 206 3.438 28.884 4.661 1.00 0.00 C ATOM 294 CZ TYR A 206 3.879 27.949 5.622 1.00 0.00 C ATOM 295 OH TYR A 206 3.552 28.092 6.935 1.00 0.00 O ATOM 0 H TYR A 206 7.616 27.280 2.693 1.00 0.00 H new ATOM 0 HA TYR A 206 6.522 27.354 0.022 1.00 0.00 H new ATOM 0 HB2 TYR A 206 4.274 28.072 0.822 1.00 0.00 H new ATOM 0 HB3 TYR A 206 4.605 26.381 1.142 1.00 0.00 H new ATOM 0 HD1 TYR A 206 5.440 25.764 3.534 1.00 0.00 H new ATOM 0 HD2 TYR A 206 3.475 29.473 2.582 1.00 0.00 H new ATOM 0 HE1 TYR A 206 5.040 26.158 5.941 1.00 0.00 H new ATOM 0 HE2 TYR A 206 2.834 29.725 4.969 1.00 0.00 H new ATOM 0 HH TYR A 206 3.029 28.912 7.054 1.00 0.00 H new ATOM 305 N GLY A 207 6.205 29.962 0.362 1.00 0.00 N ATOM 306 CA GLY A 207 6.619 31.355 0.228 1.00 0.00 C ATOM 307 C GLY A 207 6.093 32.259 1.343 1.00 0.00 C ATOM 308 O GLY A 207 6.894 32.810 2.097 1.00 0.00 O ATOM 0 H GLY A 207 5.446 29.702 -0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 207 7.708 31.402 0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 207 6.273 31.738 -0.732 1.00 0.00 H new ATOM 312 N GLU A 208 4.763 32.399 1.461 1.00 0.00 N ATOM 313 CA GLU A 208 4.129 33.351 2.365 1.00 0.00 C ATOM 314 C GLU A 208 3.530 32.630 3.573 1.00 0.00 C ATOM 315 O GLU A 208 2.697 31.736 3.427 1.00 0.00 O ATOM 316 CB GLU A 208 3.123 34.200 1.583 1.00 0.00 C ATOM 317 CG GLU A 208 1.907 33.464 0.985 1.00 0.00 C ATOM 318 CD GLU A 208 0.951 34.380 0.212 1.00 0.00 C ATOM 319 OE1 GLU A 208 1.398 35.450 -0.260 1.00 0.00 O ATOM 320 OE2 GLU A 208 -0.231 33.987 0.100 1.00 0.00 O ATOM 0 H GLU A 208 4.097 31.845 0.922 1.00 0.00 H new ATOM 0 HA GLU A 208 4.869 34.038 2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 208 2.754 34.984 2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 208 3.655 34.693 0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 208 2.261 32.678 0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 208 1.357 32.976 1.790 1.00 0.00 H new ATOM 327 N MET A 209 3.983 33.021 4.773 1.00 0.00 N ATOM 328 CA MET A 209 3.725 32.270 5.999 1.00 0.00 C ATOM 329 C MET A 209 3.511 33.173 7.213 1.00 0.00 C ATOM 330 O MET A 209 4.187 34.191 7.377 1.00 0.00 O ATOM 331 CB MET A 209 4.928 31.350 6.338 1.00 0.00 C ATOM 332 CG MET A 209 5.874 30.916 5.201 1.00 0.00 C ATOM 333 SD MET A 209 6.928 29.452 5.481 1.00 0.00 S ATOM 334 CE MET A 209 7.058 29.319 7.287 1.00 0.00 C ATOM 0 H MET A 209 4.537 33.866 4.915 1.00 0.00 H new ATOM 0 HA MET A 209 2.818 31.698 5.805 1.00 0.00 H new ATOM 0 HB2 MET A 209 5.529 31.858 7.092 1.00 0.00 H new ATOM 0 HB3 MET A 209 4.532 30.446 6.801 1.00 0.00 H new ATOM 0 HG2 MET A 209 5.268 30.727 4.315 1.00 0.00 H new ATOM 0 HG3 MET A 209 6.526 31.758 4.968 1.00 0.00 H new ATOM 0 HE1 MET A 209 7.862 28.630 7.544 1.00 0.00 H new ATOM 0 HE2 MET A 209 7.272 30.301 7.710 1.00 0.00 H new ATOM 0 HE3 MET A 209 6.118 28.946 7.693 1.00 0.00 H new ATOM 344 N ILE A 210 2.631 32.712 8.109 1.00 0.00 N ATOM 345 CA ILE A 210 2.416 33.263 9.447 1.00 0.00 C ATOM 346 C ILE A 210 2.145 32.118 10.428 1.00 0.00 C ATOM 347 O ILE A 210 1.673 31.058 10.031 1.00 0.00 O ATOM 348 CB ILE A 210 1.287 34.311 9.414 1.00 0.00 C ATOM 349 CG1 ILE A 210 1.213 35.100 10.738 1.00 0.00 C ATOM 350 CG2 ILE A 210 -0.074 33.694 9.035 1.00 0.00 C ATOM 351 CD1 ILE A 210 0.476 36.436 10.603 1.00 0.00 C ATOM 0 H ILE A 210 2.027 31.914 7.912 1.00 0.00 H new ATOM 0 HA ILE A 210 3.309 33.783 9.793 1.00 0.00 H new ATOM 0 HB ILE A 210 1.534 35.020 8.624 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.712 34.490 11.490 1.00 0.00 H new ATOM 0 HG13 ILE A 210 2.224 35.285 11.100 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -0.837 34.473 9.026 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -0.005 33.241 8.046 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.344 32.931 9.765 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.459 36.941 11.569 1.00 0.00 H new ATOM 0 HD12 ILE A 210 0.990 37.063 9.874 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.546 36.256 10.270 1.00 0.00 H new ATOM 363 N GLY A 211 2.441 32.330 11.712 1.00 0.00 N ATOM 364 CA GLY A 211 2.449 31.282 12.724 1.00 0.00 C ATOM 365 C GLY A 211 1.716 31.699 13.991 1.00 0.00 C ATOM 366 O GLY A 211 1.741 32.872 14.366 1.00 0.00 O ATOM 0 H GLY A 211 2.685 33.250 12.079 1.00 0.00 H new ATOM 0 HA2 GLY A 211 1.985 30.383 12.317 1.00 0.00 H new ATOM 0 HA3 GLY A 211 3.479 31.025 12.970 1.00 0.00 H new ATOM 370 N CYS A 212 1.043 30.725 14.627 1.00 0.00 N ATOM 371 CA CYS A 212 0.191 31.006 15.784 1.00 0.00 C ATOM 372 C CYS A 212 1.039 31.442 16.979 1.00 0.00 C ATOM 373 O CYS A 212 2.154 30.968 17.196 1.00 0.00 O ATOM 374 CB CYS A 212 -0.755 29.858 16.181 1.00 0.00 C ATOM 375 SG CYS A 212 -2.044 30.464 17.322 1.00 0.00 S ATOM 0 H CYS A 212 1.075 29.742 14.357 1.00 0.00 H new ATOM 0 HA CYS A 212 -0.462 31.821 15.472 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -1.219 29.435 15.290 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -0.187 29.058 16.655 1.00 0.00 H new ATOM 0 HG CYS A 212 -3.184 29.917 17.019 1.00 0.00 H new ATOM 380 N ASP A 213 0.442 32.344 17.752 1.00 0.00 N ATOM 381 CA ASP A 213 1.064 33.069 18.853 1.00 0.00 C ATOM 382 C ASP A 213 0.833 32.389 20.220 1.00 0.00 C ATOM 383 O ASP A 213 1.274 32.920 21.239 1.00 0.00 O ATOM 384 CB ASP A 213 0.563 34.522 18.820 1.00 0.00 C ATOM 385 CG ASP A 213 1.419 35.461 19.672 1.00 0.00 C ATOM 386 OD1 ASP A 213 2.588 35.677 19.287 1.00 0.00 O ATOM 387 OD2 ASP A 213 0.881 35.980 20.675 1.00 0.00 O ATOM 0 H ASP A 213 -0.536 32.601 17.621 1.00 0.00 H new ATOM 0 HA ASP A 213 2.146 33.060 18.723 1.00 0.00 H new ATOM 0 HB2 ASP A 213 0.558 34.877 17.789 1.00 0.00 H new ATOM 0 HB3 ASP A 213 -0.467 34.555 19.174 1.00 0.00 H new ATOM 392 N ASN A 214 0.160 31.223 20.268 1.00 0.00 N ATOM 393 CA ASN A 214 -0.053 30.496 21.518 1.00 0.00 C ATOM 394 C ASN A 214 1.225 29.745 21.928 1.00 0.00 C ATOM 395 O ASN A 214 1.912 29.210 21.054 1.00 0.00 O ATOM 396 CB ASN A 214 -1.163 29.442 21.366 1.00 0.00 C ATOM 397 CG ASN A 214 -2.550 29.991 21.061 1.00 0.00 C ATOM 398 OD1 ASN A 214 -2.966 31.009 21.601 1.00 0.00 O ATOM 399 ND2 ASN A 214 -3.290 29.283 20.211 1.00 0.00 N ATOM 0 H ASN A 214 -0.244 30.770 19.448 1.00 0.00 H new ATOM 0 HA ASN A 214 -0.332 31.235 22.269 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -0.880 28.754 20.569 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -1.216 28.860 22.286 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -4.239 29.583 19.989 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -2.908 28.440 19.782 1.00 0.00 H new ATOM 406 N PRO A 215 1.497 29.597 23.241 1.00 0.00 N ATOM 407 CA PRO A 215 2.525 28.695 23.756 1.00 0.00 C ATOM 408 C PRO A 215 2.060 27.220 23.729 1.00 0.00 C ATOM 409 O PRO A 215 2.749 26.354 24.266 1.00 0.00 O ATOM 410 CB PRO A 215 2.792 29.190 25.181 1.00 0.00 C ATOM 411 CG PRO A 215 1.427 29.704 25.631 1.00 0.00 C ATOM 412 CD PRO A 215 0.815 30.263 24.345 1.00 0.00 C ATOM 0 HA PRO A 215 3.428 28.709 23.146 1.00 0.00 H new ATOM 0 HB2 PRO A 215 3.153 28.388 25.825 1.00 0.00 H new ATOM 0 HB3 PRO A 215 3.545 29.978 25.200 1.00 0.00 H new ATOM 0 HG2 PRO A 215 0.816 28.905 26.052 1.00 0.00 H new ATOM 0 HG3 PRO A 215 1.520 30.473 26.398 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -0.258 30.072 24.311 1.00 0.00 H new ATOM 0 HD3 PRO A 215 0.949 31.343 24.289 1.00 0.00 H new ATOM 420 N ASP A 216 0.899 26.940 23.108 1.00 0.00 N ATOM 421 CA ASP A 216 0.199 25.656 23.117 1.00 0.00 C ATOM 422 C ASP A 216 -0.134 25.159 21.700 1.00 0.00 C ATOM 423 O ASP A 216 -0.616 24.035 21.556 1.00 0.00 O ATOM 424 CB ASP A 216 -1.105 25.791 23.922 1.00 0.00 C ATOM 425 CG ASP A 216 -0.913 26.429 25.299 1.00 0.00 C ATOM 426 OD1 ASP A 216 -0.287 25.770 26.157 1.00 0.00 O ATOM 427 OD2 ASP A 216 -1.401 27.569 25.466 1.00 0.00 O ATOM 0 H ASP A 216 0.404 27.644 22.560 1.00 0.00 H new ATOM 0 HA ASP A 216 0.865 24.925 23.576 1.00 0.00 H new ATOM 0 HB2 ASP A 216 -1.815 26.389 23.350 1.00 0.00 H new ATOM 0 HB3 ASP A 216 -1.548 24.803 24.047 1.00 0.00 H new ATOM 432 N CYS A 217 0.106 25.973 20.658 1.00 0.00 N ATOM 433 CA CYS A 217 -0.082 25.583 19.273 1.00 0.00 C ATOM 434 C CYS A 217 0.892 24.458 18.916 1.00 0.00 C ATOM 435 O CYS A 217 2.092 24.547 19.170 1.00 0.00 O ATOM 436 CB CYS A 217 0.074 26.794 18.348 1.00 0.00 C ATOM 437 SG CYS A 217 -0.389 26.347 16.653 1.00 0.00 S ATOM 0 H CYS A 217 0.440 26.930 20.768 1.00 0.00 H new ATOM 0 HA CYS A 217 -1.095 25.205 19.136 1.00 0.00 H new ATOM 0 HB2 CYS A 217 -0.552 27.614 18.700 1.00 0.00 H new ATOM 0 HB3 CYS A 217 1.105 27.148 18.370 1.00 0.00 H new ATOM 0 HG CYS A 217 -1.381 27.091 16.264 1.00 0.00 H new ATOM 443 N SER A 218 0.331 23.415 18.301 1.00 0.00 N ATOM 444 CA SER A 218 1.008 22.158 17.973 1.00 0.00 C ATOM 445 C SER A 218 1.241 22.014 16.457 1.00 0.00 C ATOM 446 O SER A 218 1.657 20.956 15.987 1.00 0.00 O ATOM 447 CB SER A 218 0.188 21.003 18.565 1.00 0.00 C ATOM 448 OG SER A 218 0.944 19.812 18.608 1.00 0.00 O ATOM 0 H SER A 218 -0.645 23.423 18.006 1.00 0.00 H new ATOM 0 HA SER A 218 2.004 22.144 18.415 1.00 0.00 H new ATOM 0 HB2 SER A 218 -0.141 21.265 19.571 1.00 0.00 H new ATOM 0 HB3 SER A 218 -0.709 20.846 17.967 1.00 0.00 H new ATOM 0 HG SER A 218 1.425 19.699 17.761 1.00 0.00 H new ATOM 454 N ILE A 219 0.995 23.097 15.703 1.00 0.00 N ATOM 455 CA ILE A 219 1.208 23.208 14.260 1.00 0.00 C ATOM 456 C ILE A 219 2.176 24.372 13.966 1.00 0.00 C ATOM 457 O ILE A 219 2.968 24.261 13.033 1.00 0.00 O ATOM 458 CB ILE A 219 -0.154 23.380 13.537 1.00 0.00 C ATOM 459 CG1 ILE A 219 -1.209 22.298 13.879 1.00 0.00 C ATOM 460 CG2 ILE A 219 -0.004 23.478 12.008 1.00 0.00 C ATOM 461 CD1 ILE A 219 -0.867 20.870 13.430 1.00 0.00 C ATOM 0 H ILE A 219 0.625 23.957 16.107 1.00 0.00 H new ATOM 0 HA ILE A 219 1.665 22.295 13.879 1.00 0.00 H new ATOM 0 HB ILE A 219 -0.528 24.327 13.926 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -1.361 22.293 14.958 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -2.157 22.585 13.425 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -0.987 23.597 11.553 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.618 24.337 11.758 1.00 0.00 H new ATOM 0 HG23 ILE A 219 0.463 22.569 11.629 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -1.672 20.195 13.720 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -0.747 20.848 12.347 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.061 20.552 13.904 1.00 0.00 H new ATOM 473 N GLU A 220 2.141 25.428 14.805 1.00 0.00 N ATOM 474 CA GLU A 220 2.969 26.643 14.873 1.00 0.00 C ATOM 475 C GLU A 220 3.166 27.493 13.605 1.00 0.00 C ATOM 476 O GLU A 220 3.548 28.652 13.745 1.00 0.00 O ATOM 477 CB GLU A 220 4.305 26.368 15.590 1.00 0.00 C ATOM 478 CG GLU A 220 5.281 25.483 14.799 1.00 0.00 C ATOM 479 CD GLU A 220 6.707 25.601 15.337 1.00 0.00 C ATOM 480 OE1 GLU A 220 6.966 25.008 16.407 1.00 0.00 O ATOM 481 OE2 GLU A 220 7.514 26.286 14.670 1.00 0.00 O ATOM 0 H GLU A 220 1.439 25.447 15.545 1.00 0.00 H new ATOM 0 HA GLU A 220 2.336 27.304 15.465 1.00 0.00 H new ATOM 0 HB2 GLU A 220 4.790 27.320 15.805 1.00 0.00 H new ATOM 0 HB3 GLU A 220 4.098 25.892 16.548 1.00 0.00 H new ATOM 0 HG2 GLU A 220 4.956 24.444 14.852 1.00 0.00 H new ATOM 0 HG3 GLU A 220 5.263 25.770 13.747 1.00 0.00 H new ATOM 488 N TRP A 221 2.867 26.987 12.404 1.00 0.00 N ATOM 489 CA TRP A 221 2.968 27.690 11.141 1.00 0.00 C ATOM 490 C TRP A 221 1.774 27.369 10.253 1.00 0.00 C ATOM 491 O TRP A 221 1.191 26.291 10.336 1.00 0.00 O ATOM 492 CB TRP A 221 4.242 27.249 10.429 1.00 0.00 C ATOM 493 CG TRP A 221 5.485 27.943 10.856 1.00 0.00 C ATOM 494 CD1 TRP A 221 6.509 27.386 11.536 1.00 0.00 C ATOM 495 CD2 TRP A 221 5.867 29.328 10.612 1.00 0.00 C ATOM 496 NE1 TRP A 221 7.511 28.313 11.700 1.00 0.00 N ATOM 497 CE2 TRP A 221 7.187 29.519 11.110 1.00 0.00 C ATOM 498 CE3 TRP A 221 5.241 30.433 9.993 1.00 0.00 C ATOM 499 CZ2 TRP A 221 7.872 30.730 10.948 1.00 0.00 C ATOM 500 CZ3 TRP A 221 5.905 31.668 9.872 1.00 0.00 C ATOM 501 CH2 TRP A 221 7.224 31.813 10.333 1.00 0.00 C ATOM 0 H TRP A 221 2.533 26.030 12.292 1.00 0.00 H new ATOM 0 HA TRP A 221 2.988 28.762 11.335 1.00 0.00 H new ATOM 0 HB2 TRP A 221 4.373 26.178 10.585 1.00 0.00 H new ATOM 0 HB3 TRP A 221 4.111 27.402 9.358 1.00 0.00 H new ATOM 0 HD1 TRP A 221 6.537 26.368 11.896 1.00 0.00 H new ATOM 0 HE1 TRP A 221 8.384 28.133 12.195 1.00 0.00 H new ATOM 0 HE3 TRP A 221 4.238 30.328 9.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 8.890 30.830 11.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 5.398 32.509 9.422 1.00 0.00 H new ATOM 0 HH2 TRP A 221 7.738 32.755 10.215 1.00 0.00 H new ATOM 512 N PHE A 222 1.427 28.333 9.398 1.00 0.00 N ATOM 513 CA PHE A 222 0.229 28.330 8.573 1.00 0.00 C ATOM 514 C PHE A 222 0.456 29.154 7.311 1.00 0.00 C ATOM 515 O PHE A 222 1.228 30.113 7.298 1.00 0.00 O ATOM 516 CB PHE A 222 -0.966 28.916 9.349 1.00 0.00 C ATOM 517 CG PHE A 222 -1.300 28.159 10.619 1.00 0.00 C ATOM 518 CD1 PHE A 222 -2.202 27.081 10.581 1.00 0.00 C ATOM 519 CD2 PHE A 222 -0.634 28.477 11.819 1.00 0.00 C ATOM 520 CE1 PHE A 222 -2.435 26.323 11.739 1.00 0.00 C ATOM 521 CE2 PHE A 222 -0.835 27.695 12.965 1.00 0.00 C ATOM 522 CZ PHE A 222 -1.753 26.633 12.926 1.00 0.00 C ATOM 0 H PHE A 222 1.998 29.167 9.260 1.00 0.00 H new ATOM 0 HA PHE A 222 0.009 27.298 8.301 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -0.749 29.954 9.602 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -1.841 28.922 8.700 1.00 0.00 H new ATOM 0 HD1 PHE A 222 -2.715 26.837 9.662 1.00 0.00 H new ATOM 0 HD2 PHE A 222 0.033 29.325 11.856 1.00 0.00 H new ATOM 0 HE1 PHE A 222 -3.137 25.503 11.717 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -0.288 27.908 13.871 1.00 0.00 H new ATOM 0 HZ PHE A 222 -1.936 26.050 13.817 1.00 0.00 H new ATOM 532 N HIS A 223 -0.276 28.796 6.254 1.00 0.00 N ATOM 533 CA HIS A 223 -0.342 29.606 5.048 1.00 0.00 C ATOM 534 C HIS A 223 -1.249 30.801 5.304 1.00 0.00 C ATOM 535 O HIS A 223 -2.219 30.714 6.060 1.00 0.00 O ATOM 536 CB HIS A 223 -0.859 28.791 3.846 1.00 0.00 C ATOM 537 CG HIS A 223 -0.034 27.597 3.412 1.00 0.00 C ATOM 538 ND1 HIS A 223 -0.172 26.938 2.188 1.00 0.00 N ATOM 539 CD2 HIS A 223 1.017 27.040 4.079 1.00 0.00 C ATOM 540 CE1 HIS A 223 0.867 26.094 2.101 1.00 0.00 C ATOM 541 NE2 HIS A 223 1.583 26.115 3.236 1.00 0.00 N ATOM 0 H HIS A 223 -0.833 27.943 6.215 1.00 0.00 H new ATOM 0 HA HIS A 223 0.663 29.947 4.801 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -1.863 28.439 4.083 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -0.950 29.466 2.995 1.00 0.00 H new ATOM 0 HD2 HIS A 223 1.343 27.281 5.080 1.00 0.00 H new ATOM 0 HE1 HIS A 223 1.095 25.484 1.240 1.00 0.00 H new ATOM 0 HE2 HIS A 223 2.404 25.544 3.437 1.00 0.00 H new ATOM 549 N PHE A 224 -0.938 31.904 4.619 1.00 0.00 N ATOM 550 CA PHE A 224 -1.840 33.052 4.537 1.00 0.00 C ATOM 551 C PHE A 224 -3.219 32.594 4.080 1.00 0.00 C ATOM 552 O PHE A 224 -4.207 32.861 4.752 1.00 0.00 O ATOM 553 CB PHE A 224 -1.314 34.102 3.546 1.00 0.00 C ATOM 554 CG PHE A 224 -0.155 34.986 3.958 1.00 0.00 C ATOM 555 CD1 PHE A 224 0.582 34.767 5.139 1.00 0.00 C ATOM 556 CD2 PHE A 224 0.208 36.038 3.094 1.00 0.00 C ATOM 557 CE1 PHE A 224 1.716 35.549 5.405 1.00 0.00 C ATOM 558 CE2 PHE A 224 1.350 36.810 3.358 1.00 0.00 C ATOM 559 CZ PHE A 224 2.131 36.524 4.488 1.00 0.00 C ATOM 0 H PHE A 224 -0.062 32.025 4.111 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.900 33.501 5.528 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -1.021 33.578 2.636 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -2.148 34.754 3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 224 0.275 34.001 5.836 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -0.396 36.251 2.224 1.00 0.00 H new ATOM 0 HE1 PHE A 224 2.271 35.399 6.319 1.00 0.00 H new ATOM 0 HE2 PHE A 224 1.625 37.618 2.696 1.00 0.00 H new ATOM 0 HZ PHE A 224 3.056 37.057 4.652 1.00 0.00 H new ATOM 569 N ALA A 225 -3.271 31.843 2.981 1.00 0.00 N ATOM 570 CA ALA A 225 -4.509 31.376 2.390 1.00 0.00 C ATOM 571 C ALA A 225 -5.209 30.294 3.227 1.00 0.00 C ATOM 572 O ALA A 225 -6.391 30.047 2.992 1.00 0.00 O ATOM 573 CB ALA A 225 -4.224 30.874 0.971 1.00 0.00 C ATOM 0 H ALA A 225 -2.439 31.541 2.474 1.00 0.00 H new ATOM 0 HA ALA A 225 -5.202 32.217 2.359 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -5.150 30.520 0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -3.815 31.688 0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -3.504 30.056 1.012 1.00 0.00 H new ATOM 579 N CYS A 226 -4.534 29.679 4.218 1.00 0.00 N ATOM 580 CA CYS A 226 -5.152 28.770 5.157 1.00 0.00 C ATOM 581 C CYS A 226 -5.921 29.506 6.272 1.00 0.00 C ATOM 582 O CYS A 226 -6.566 28.844 7.082 1.00 0.00 O ATOM 583 CB CYS A 226 -4.041 27.881 5.704 1.00 0.00 C ATOM 584 SG CYS A 226 -3.735 26.492 4.569 1.00 0.00 S ATOM 0 H CYS A 226 -3.535 29.812 4.376 1.00 0.00 H new ATOM 0 HA CYS A 226 -5.910 28.167 4.658 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -3.129 28.463 5.832 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -4.319 27.502 6.688 1.00 0.00 H new ATOM 0 HG CYS A 226 -2.454 26.341 4.403 1.00 0.00 H new ATOM 590 N VAL A 227 -5.899 30.851 6.290 1.00 0.00 N ATOM 591 CA VAL A 227 -6.747 31.701 7.130 1.00 0.00 C ATOM 592 C VAL A 227 -7.513 32.756 6.314 1.00 0.00 C ATOM 593 O VAL A 227 -8.456 33.360 6.825 1.00 0.00 O ATOM 594 CB VAL A 227 -5.919 32.312 8.286 1.00 0.00 C ATOM 595 CG1 VAL A 227 -5.194 33.619 7.914 1.00 0.00 C ATOM 596 CG2 VAL A 227 -6.789 32.539 9.533 1.00 0.00 C ATOM 0 H VAL A 227 -5.267 31.390 5.698 1.00 0.00 H new ATOM 0 HA VAL A 227 -7.518 31.074 7.577 1.00 0.00 H new ATOM 0 HB VAL A 227 -5.146 31.575 8.503 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -4.636 33.984 8.776 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -4.506 33.431 7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -5.926 34.368 7.612 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -6.180 32.969 10.328 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -7.603 33.222 9.289 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -7.202 31.587 9.867 1.00 0.00 H new ATOM 606 N GLY A 228 -7.109 32.960 5.055 1.00 0.00 N ATOM 607 CA GLY A 228 -7.697 33.914 4.121 1.00 0.00 C ATOM 608 C GLY A 228 -6.943 35.248 4.048 1.00 0.00 C ATOM 609 O GLY A 228 -7.540 36.242 3.636 1.00 0.00 O ATOM 0 H GLY A 228 -6.331 32.441 4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -7.724 33.467 3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -8.730 34.106 4.413 1.00 0.00 H new ATOM 613 N LEU A 229 -5.666 35.294 4.466 1.00 0.00 N ATOM 614 CA LEU A 229 -4.836 36.492 4.416 1.00 0.00 C ATOM 615 C LEU A 229 -4.362 36.790 2.987 1.00 0.00 C ATOM 616 O LEU A 229 -4.312 35.909 2.127 1.00 0.00 O ATOM 617 CB LEU A 229 -3.629 36.354 5.370 1.00 0.00 C ATOM 618 CG LEU A 229 -3.869 36.894 6.793 1.00 0.00 C ATOM 619 CD1 LEU A 229 -2.699 36.474 7.695 1.00 0.00 C ATOM 620 CD2 LEU A 229 -3.996 38.427 6.827 1.00 0.00 C ATOM 0 H LEU A 229 -5.182 34.483 4.852 1.00 0.00 H new ATOM 0 HA LEU A 229 -5.447 37.333 4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -3.354 35.301 5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -2.778 36.878 4.936 1.00 0.00 H new ATOM 0 HG LEU A 229 -4.810 36.474 7.147 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -2.863 36.853 8.704 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -2.633 35.386 7.722 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -1.770 36.884 7.300 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -4.164 38.756 7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -3.078 38.877 6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -4.836 38.736 6.205 1.00 0.00 H new ATOM 632 N THR A 230 -3.963 38.052 2.786 1.00 0.00 N ATOM 633 CA THR A 230 -3.433 38.606 1.536 1.00 0.00 C ATOM 634 C THR A 230 -2.144 39.415 1.802 1.00 0.00 C ATOM 635 O THR A 230 -1.427 39.759 0.864 1.00 0.00 O ATOM 636 CB THR A 230 -4.532 39.466 0.869 1.00 0.00 C ATOM 637 OG1 THR A 230 -5.718 38.711 0.712 1.00 0.00 O ATOM 638 CG2 THR A 230 -4.159 40.006 -0.517 1.00 0.00 C ATOM 0 H THR A 230 -4.004 38.749 3.529 1.00 0.00 H new ATOM 0 HA THR A 230 -3.160 37.800 0.855 1.00 0.00 H new ATOM 0 HB THR A 230 -4.665 40.314 1.540 1.00 0.00 H new ATOM 0 HG1 THR A 230 -6.406 39.267 0.290 1.00 0.00 H new ATOM 0 HG21 THR A 230 -4.985 40.597 -0.912 1.00 0.00 H new ATOM 0 HG22 THR A 230 -3.271 40.632 -0.436 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.956 39.173 -1.190 1.00 0.00 H new ATOM 646 N THR A 231 -1.828 39.684 3.080 1.00 0.00 N ATOM 647 CA THR A 231 -0.661 40.430 3.557 1.00 0.00 C ATOM 648 C THR A 231 -0.140 39.779 4.853 1.00 0.00 C ATOM 649 O THR A 231 -0.649 38.737 5.274 1.00 0.00 O ATOM 650 CB THR A 231 -1.018 41.918 3.780 1.00 0.00 C ATOM 651 OG1 THR A 231 -2.045 42.050 4.743 1.00 0.00 O ATOM 652 CG2 THR A 231 -1.441 42.645 2.497 1.00 0.00 C ATOM 0 H THR A 231 -2.418 39.366 3.849 1.00 0.00 H new ATOM 0 HA THR A 231 0.126 40.395 2.804 1.00 0.00 H new ATOM 0 HB THR A 231 -0.101 42.388 4.136 1.00 0.00 H new ATOM 0 HG1 THR A 231 -2.254 42.999 4.870 1.00 0.00 H new ATOM 0 HG21 THR A 231 -1.677 43.684 2.728 1.00 0.00 H new ATOM 0 HG22 THR A 231 -0.626 42.610 1.774 1.00 0.00 H new ATOM 0 HG23 THR A 231 -2.321 42.158 2.076 1.00 0.00 H new ATOM 660 N LYS A 232 0.868 40.399 5.490 1.00 0.00 N ATOM 661 CA LYS A 232 1.526 39.869 6.681 1.00 0.00 C ATOM 662 C LYS A 232 1.397 40.858 7.851 1.00 0.00 C ATOM 663 O LYS A 232 2.180 41.806 7.925 1.00 0.00 O ATOM 664 CB LYS A 232 2.992 39.523 6.368 1.00 0.00 C ATOM 665 CG LYS A 232 3.555 38.591 7.454 1.00 0.00 C ATOM 666 CD LYS A 232 4.935 38.041 7.084 1.00 0.00 C ATOM 667 CE LYS A 232 5.416 37.101 8.192 1.00 0.00 C ATOM 668 NZ LYS A 232 6.652 36.396 7.807 1.00 0.00 N ATOM 0 H LYS A 232 1.249 41.294 5.182 1.00 0.00 H new ATOM 0 HA LYS A 232 1.032 38.946 6.986 1.00 0.00 H new ATOM 0 HB2 LYS A 232 3.060 39.042 5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 232 3.587 40.435 6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 232 3.623 39.134 8.397 1.00 0.00 H new ATOM 0 HG3 LYS A 232 2.865 37.762 7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 232 4.885 37.508 6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 232 5.643 38.860 6.953 1.00 0.00 H new ATOM 0 HE2 LYS A 232 5.591 37.672 9.104 1.00 0.00 H new ATOM 0 HE3 LYS A 232 4.636 36.373 8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 6.949 35.768 8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 6.478 35.832 6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 7.403 37.090 7.617 1.00 0.00 H new ATOM 682 N PRO A 233 0.436 40.656 8.777 1.00 0.00 N ATOM 683 CA PRO A 233 0.375 41.408 10.027 1.00 0.00 C ATOM 684 C PRO A 233 1.514 40.993 10.977 1.00 0.00 C ATOM 685 O PRO A 233 2.213 40.005 10.739 1.00 0.00 O ATOM 686 CB PRO A 233 -1.013 41.108 10.606 1.00 0.00 C ATOM 687 CG PRO A 233 -1.312 39.699 10.100 1.00 0.00 C ATOM 688 CD PRO A 233 -0.635 39.666 8.730 1.00 0.00 C ATOM 0 HA PRO A 233 0.510 42.479 9.876 1.00 0.00 H new ATOM 0 HB2 PRO A 233 -1.012 41.152 11.695 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -1.757 41.826 10.259 1.00 0.00 H new ATOM 0 HG2 PRO A 233 -0.907 38.938 10.767 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -2.384 39.518 10.023 1.00 0.00 H new ATOM 0 HD2 PRO A 233 -0.238 38.674 8.517 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -1.347 39.901 7.939 1.00 0.00 H new ATOM 696 N ARG A 234 1.678 41.747 12.073 1.00 0.00 N ATOM 697 CA ARG A 234 2.683 41.510 13.100 1.00 0.00 C ATOM 698 C ARG A 234 2.065 41.816 14.462 1.00 0.00 C ATOM 699 O ARG A 234 1.408 42.838 14.657 1.00 0.00 O ATOM 700 CB ARG A 234 3.915 42.390 12.852 1.00 0.00 C ATOM 701 CG ARG A 234 5.119 41.975 13.716 1.00 0.00 C ATOM 702 CD ARG A 234 6.272 42.981 13.624 1.00 0.00 C ATOM 703 NE ARG A 234 5.947 44.240 14.314 1.00 0.00 N ATOM 704 CZ ARG A 234 6.799 45.247 14.553 1.00 0.00 C ATOM 705 NH1 ARG A 234 8.069 45.206 14.145 1.00 0.00 N ATOM 706 NH2 ARG A 234 6.370 46.319 15.218 1.00 0.00 N ATOM 0 H ARG A 234 1.094 42.560 12.268 1.00 0.00 H new ATOM 0 HA ARG A 234 3.007 40.470 13.072 1.00 0.00 H new ATOM 0 HB2 ARG A 234 4.191 42.334 11.799 1.00 0.00 H new ATOM 0 HB3 ARG A 234 3.663 43.430 13.061 1.00 0.00 H new ATOM 0 HG2 ARG A 234 4.803 41.881 14.755 1.00 0.00 H new ATOM 0 HG3 ARG A 234 5.470 40.993 13.399 1.00 0.00 H new ATOM 0 HD2 ARG A 234 7.171 42.547 14.062 1.00 0.00 H new ATOM 0 HD3 ARG A 234 6.495 43.186 12.577 1.00 0.00 H new ATOM 0 HE ARG A 234 4.987 44.357 14.639 1.00 0.00 H new ATOM 0 HH11 ARG A 234 8.415 44.393 13.636 1.00 0.00 H new ATOM 0 HH12 ARG A 234 8.693 45.988 14.342 1.00 0.00 H new ATOM 0 HH21 ARG A 234 5.403 46.367 15.539 1.00 0.00 H new ATOM 0 HH22 ARG A 234 7.009 47.092 15.406 1.00 0.00 H new ATOM 720 N GLY A 235 2.304 40.886 15.382 1.00 0.00 N ATOM 721 CA GLY A 235 1.746 40.848 16.726 1.00 0.00 C ATOM 722 C GLY A 235 1.145 39.475 17.027 1.00 0.00 C ATOM 723 O GLY A 235 1.407 38.498 16.322 1.00 0.00 O ATOM 0 H GLY A 235 2.925 40.098 15.198 1.00 0.00 H new ATOM 0 HA2 GLY A 235 2.524 41.077 17.454 1.00 0.00 H new ATOM 0 HA3 GLY A 235 0.979 41.616 16.828 1.00 0.00 H new ATOM 727 N LYS A 236 0.314 39.421 18.076 1.00 0.00 N ATOM 728 CA LYS A 236 -0.520 38.273 18.398 1.00 0.00 C ATOM 729 C LYS A 236 -1.499 38.022 17.250 1.00 0.00 C ATOM 730 O LYS A 236 -2.380 38.836 16.972 1.00 0.00 O ATOM 731 CB LYS A 236 -1.230 38.508 19.742 1.00 0.00 C ATOM 732 CG LYS A 236 -2.196 37.365 20.112 1.00 0.00 C ATOM 733 CD LYS A 236 -2.756 37.481 21.541 1.00 0.00 C ATOM 734 CE LYS A 236 -1.959 36.695 22.593 1.00 0.00 C ATOM 735 NZ LYS A 236 -0.597 37.219 22.804 1.00 0.00 N ATOM 0 H LYS A 236 0.206 40.194 18.733 1.00 0.00 H new ATOM 0 HA LYS A 236 0.089 37.376 18.511 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -0.483 38.616 20.529 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -1.784 39.446 19.697 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -3.025 37.355 19.404 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -1.677 36.412 20.009 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -2.777 38.533 21.827 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -3.788 37.129 21.545 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -2.500 36.716 23.539 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -1.896 35.651 22.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -0.257 36.934 23.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 0.039 36.836 22.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -0.611 38.257 22.740 1.00 0.00 H new ATOM 749 N TRP A 237 -1.330 36.861 16.616 1.00 0.00 N ATOM 750 CA TRP A 237 -2.167 36.331 15.559 1.00 0.00 C ATOM 751 C TRP A 237 -2.470 34.873 15.890 1.00 0.00 C ATOM 752 O TRP A 237 -1.601 34.144 16.370 1.00 0.00 O ATOM 753 CB TRP A 237 -1.420 36.446 14.225 1.00 0.00 C ATOM 754 CG TRP A 237 -2.076 35.791 13.051 1.00 0.00 C ATOM 755 CD1 TRP A 237 -2.866 36.377 12.131 1.00 0.00 C ATOM 756 CD2 TRP A 237 -2.014 34.392 12.670 1.00 0.00 C ATOM 757 NE1 TRP A 237 -3.317 35.431 11.226 1.00 0.00 N ATOM 758 CE2 TRP A 237 -2.826 34.174 11.523 1.00 0.00 C ATOM 759 CE3 TRP A 237 -1.350 33.284 13.217 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -2.973 32.896 10.956 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -1.507 31.998 12.675 1.00 0.00 C ATOM 762 CH2 TRP A 237 -2.308 31.805 11.537 1.00 0.00 C ATOM 0 H TRP A 237 -0.558 36.235 16.846 1.00 0.00 H new ATOM 0 HA TRP A 237 -3.101 36.886 15.476 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -1.283 37.503 13.997 1.00 0.00 H new ATOM 0 HB3 TRP A 237 -0.426 36.015 14.349 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -3.111 37.428 12.103 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -3.934 35.636 10.440 1.00 0.00 H new ATOM 0 HE3 TRP A 237 -0.705 33.423 14.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -3.592 32.755 10.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 -1.011 31.156 13.134 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -2.412 30.819 11.110 1.00 0.00 H new ATOM 773 N PHE A 238 -3.699 34.452 15.583 1.00 0.00 N ATOM 774 CA PHE A 238 -4.194 33.110 15.852 1.00 0.00 C ATOM 775 C PHE A 238 -4.730 32.463 14.575 1.00 0.00 C ATOM 776 O PHE A 238 -5.395 33.099 13.757 1.00 0.00 O ATOM 777 CB PHE A 238 -5.261 33.158 16.960 1.00 0.00 C ATOM 778 CG PHE A 238 -4.826 33.553 18.371 1.00 0.00 C ATOM 779 CD1 PHE A 238 -3.509 33.349 18.836 1.00 0.00 C ATOM 780 CD2 PHE A 238 -5.784 34.072 19.266 1.00 0.00 C ATOM 781 CE1 PHE A 238 -3.158 33.650 20.161 1.00 0.00 C ATOM 782 CE2 PHE A 238 -5.439 34.356 20.600 1.00 0.00 C ATOM 783 CZ PHE A 238 -4.128 34.131 21.051 1.00 0.00 C ATOM 0 H PHE A 238 -4.389 35.052 15.131 1.00 0.00 H new ATOM 0 HA PHE A 238 -3.370 32.489 16.204 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -6.037 33.856 16.644 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -5.723 32.173 17.019 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -2.761 32.956 18.163 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -6.792 34.253 18.924 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -2.140 33.511 20.495 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -6.183 34.747 21.278 1.00 0.00 H new ATOM 0 HZ PHE A 238 -3.868 34.328 22.081 1.00 0.00 H new ATOM 793 N CYS A 239 -4.416 31.168 14.438 1.00 0.00 N ATOM 794 CA CYS A 239 -4.781 30.315 13.315 1.00 0.00 C ATOM 795 C CYS A 239 -6.291 29.982 13.311 1.00 0.00 C ATOM 796 O CYS A 239 -6.986 30.350 14.262 1.00 0.00 O ATOM 797 CB CYS A 239 -3.823 29.124 13.336 1.00 0.00 C ATOM 798 SG CYS A 239 -4.312 27.862 14.531 1.00 0.00 S ATOM 0 H CYS A 239 -3.875 30.669 15.144 1.00 0.00 H new ATOM 0 HA CYS A 239 -4.659 30.817 12.355 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -3.779 28.680 12.341 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -2.818 29.474 13.573 1.00 0.00 H new ATOM 0 HG CYS A 239 -4.265 28.359 15.731 1.00 0.00 H new ATOM 804 N PRO A 240 -6.843 29.314 12.275 1.00 0.00 N ATOM 805 CA PRO A 240 -8.291 29.200 12.134 1.00 0.00 C ATOM 806 C PRO A 240 -8.940 28.289 13.179 1.00 0.00 C ATOM 807 O PRO A 240 -10.045 28.591 13.624 1.00 0.00 O ATOM 808 CB PRO A 240 -8.539 28.702 10.708 1.00 0.00 C ATOM 809 CG PRO A 240 -7.270 27.915 10.400 1.00 0.00 C ATOM 810 CD PRO A 240 -6.185 28.710 11.124 1.00 0.00 C ATOM 0 HA PRO A 240 -8.758 30.169 12.309 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -9.429 28.075 10.647 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -8.683 29.527 10.011 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -7.332 26.891 10.767 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -7.081 27.859 9.328 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -5.367 28.061 11.436 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -5.757 29.472 10.473 1.00 0.00 H new ATOM 818 N ARG A 241 -8.250 27.228 13.624 1.00 0.00 N ATOM 819 CA ARG A 241 -8.719 26.376 14.716 1.00 0.00 C ATOM 820 C ARG A 241 -8.568 27.018 16.104 1.00 0.00 C ATOM 821 O ARG A 241 -8.993 26.419 17.090 1.00 0.00 O ATOM 822 CB ARG A 241 -8.042 24.997 14.677 1.00 0.00 C ATOM 823 CG ARG A 241 -6.524 25.028 14.927 1.00 0.00 C ATOM 824 CD ARG A 241 -5.921 23.624 15.095 1.00 0.00 C ATOM 825 NE ARG A 241 -6.534 22.859 16.198 1.00 0.00 N ATOM 826 CZ ARG A 241 -6.377 23.071 17.514 1.00 0.00 C ATOM 827 NH1 ARG A 241 -5.584 24.035 17.989 1.00 0.00 N ATOM 828 NH2 ARG A 241 -7.033 22.299 18.380 1.00 0.00 N ATOM 0 H ARG A 241 -7.352 26.941 13.234 1.00 0.00 H new ATOM 0 HA ARG A 241 -9.789 26.248 14.553 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -8.508 24.355 15.425 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -8.229 24.541 13.705 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -6.033 25.532 14.095 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -6.319 25.616 15.822 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -6.042 23.069 14.165 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -4.850 23.714 15.275 1.00 0.00 H new ATOM 0 HE ARG A 241 -7.143 22.085 15.931 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -5.074 24.639 17.345 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -5.489 24.167 18.996 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -7.645 21.558 18.040 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -6.923 22.450 19.383 1.00 0.00 H new ATOM 842 N CYS A 242 -7.954 28.207 16.186 1.00 0.00 N ATOM 843 CA CYS A 242 -7.578 28.859 17.425 1.00 0.00 C ATOM 844 C CYS A 242 -8.364 30.148 17.700 1.00 0.00 C ATOM 845 O CYS A 242 -8.378 30.588 18.849 1.00 0.00 O ATOM 846 CB CYS A 242 -6.080 29.179 17.366 1.00 0.00 C ATOM 847 SG CYS A 242 -5.044 27.731 17.744 1.00 0.00 S ATOM 0 H CYS A 242 -7.702 28.749 15.360 1.00 0.00 H new ATOM 0 HA CYS A 242 -7.813 28.175 18.240 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -5.830 29.552 16.373 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -5.854 29.978 18.072 1.00 0.00 H new ATOM 0 HG CYS A 242 -4.776 27.090 16.645 1.00 0.00 H new ATOM 853 N SER A 243 -9.011 30.747 16.687 1.00 0.00 N ATOM 854 CA SER A 243 -9.825 31.950 16.868 1.00 0.00 C ATOM 855 C SER A 243 -10.945 32.085 15.832 1.00 0.00 C ATOM 856 O SER A 243 -12.025 32.564 16.180 1.00 0.00 O ATOM 857 CB SER A 243 -8.912 33.182 16.813 1.00 0.00 C ATOM 858 OG SER A 243 -9.618 34.354 17.162 1.00 0.00 O ATOM 0 H SER A 243 -8.982 30.409 15.725 1.00 0.00 H new ATOM 0 HA SER A 243 -10.313 31.870 17.839 1.00 0.00 H new ATOM 0 HB2 SER A 243 -8.070 33.045 17.492 1.00 0.00 H new ATOM 0 HB3 SER A 243 -8.499 33.288 15.810 1.00 0.00 H new ATOM 0 HG SER A 243 -9.014 35.124 17.121 1.00 0.00 H new ATOM 864 N GLN A 244 -10.708 31.659 14.582 1.00 0.00 N ATOM 865 CA GLN A 244 -11.710 31.738 13.514 1.00 0.00 C ATOM 866 C GLN A 244 -12.843 30.709 13.702 1.00 0.00 C ATOM 867 O GLN A 244 -13.893 30.844 13.074 1.00 0.00 O ATOM 868 CB GLN A 244 -11.023 31.574 12.144 1.00 0.00 C ATOM 869 CG GLN A 244 -11.781 32.195 10.959 1.00 0.00 C ATOM 870 CD GLN A 244 -11.720 33.724 10.960 1.00 0.00 C ATOM 871 OE1 GLN A 244 -12.494 34.387 11.644 1.00 0.00 O ATOM 872 NE2 GLN A 244 -10.797 34.300 10.188 1.00 0.00 N ATOM 0 H GLN A 244 -9.820 31.252 14.286 1.00 0.00 H new ATOM 0 HA GLN A 244 -12.178 32.721 13.560 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -10.031 32.022 12.196 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -10.883 30.511 11.949 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -11.361 31.819 10.026 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -12.823 31.876 10.991 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -10.167 33.724 9.630 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -10.721 35.317 10.156 1.00 0.00 H new ATOM 881 N GLU A 245 -12.655 29.706 14.578 1.00 0.00 N ATOM 882 CA GLU A 245 -13.658 28.690 14.903 1.00 0.00 C ATOM 883 C GLU A 245 -14.892 29.304 15.595 1.00 0.00 C ATOM 884 O GLU A 245 -15.990 28.760 15.481 1.00 0.00 O ATOM 885 CB GLU A 245 -12.979 27.612 15.772 1.00 0.00 C ATOM 886 CG GLU A 245 -13.598 26.208 15.657 1.00 0.00 C ATOM 887 CD GLU A 245 -14.979 26.066 16.302 1.00 0.00 C ATOM 888 OE1 GLU A 245 -15.090 26.395 17.504 1.00 0.00 O ATOM 889 OE2 GLU A 245 -15.900 25.608 15.588 1.00 0.00 O ATOM 0 H GLU A 245 -11.781 29.581 15.088 1.00 0.00 H new ATOM 0 HA GLU A 245 -14.035 28.235 13.987 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -11.926 27.553 15.497 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -13.019 27.927 16.815 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -13.675 25.945 14.602 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -12.921 25.488 16.117 1.00 0.00 H new