USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=19 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 -160:sc= -6.7! USER MOD Set 1.2: A 214 ASN : amide:sc= 0.261 K(o=-3.1,f=-7.4!) USER MOD Set 1.3: A 217 CYS SG : rot -164:sc= 1.52 USER MOD Set 1.4: A 239 CYS SG : rot 154:sc= 0.376 USER MOD Set 1.5: A 242 CYS SG : rot 109:sc= 1.4 USER MOD Set 2.1: A 206 TYR OH : rot 172:sc= 0.221 USER MOD Set 2.2: A 209 MET CE :methyl -146:sc= -0.287 (180deg=-3.08!) USER MOD Set 3.1: A 203 GLN :FLIP amide:sc= -2.05! X(o=-3.8,f=-3.4!) USER MOD Set 3.2: A 223 HIS :FLIP no HE2:sc= -1.32 F(o=-4.2,f=-3.4) USER MOD Set 4.1: A 199 CYS SG : rot -155:sc= 0.352 USER MOD Set 4.2: A 201 CYS SG : rot 113:sc= 0.139 USER MOD Set 4.3: A 226 CYS SG : rot 70:sc= 0.857 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= -0.0407 X(o=-0.041,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 THR OG1 : rot 180:sc= 0.0062 USER MOD Single : A 232 LYS NZ :NH3+ 160:sc= 0.425 (180deg=0.249) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= -0.0179 K(o=-0.018,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 196 9.153 15.887 6.290 1.00 0.00 N ATOM 135 CA PRO A 196 8.786 16.948 7.225 1.00 0.00 C ATOM 136 C PRO A 196 7.612 17.787 6.702 1.00 0.00 C ATOM 137 O PRO A 196 7.398 17.894 5.493 1.00 0.00 O ATOM 138 CB PRO A 196 10.051 17.796 7.396 1.00 0.00 C ATOM 139 CG PRO A 196 10.772 17.623 6.061 1.00 0.00 C ATOM 140 CD PRO A 196 10.443 16.181 5.680 1.00 0.00 C ATOM 0 HA PRO A 196 8.445 16.539 8.176 1.00 0.00 H new ATOM 0 HB2 PRO A 196 9.811 18.841 7.591 1.00 0.00 H new ATOM 0 HB3 PRO A 196 10.660 17.447 8.230 1.00 0.00 H new ATOM 0 HG2 PRO A 196 10.413 18.330 5.313 1.00 0.00 H new ATOM 0 HG3 PRO A 196 11.846 17.780 6.159 1.00 0.00 H new ATOM 0 HD2 PRO A 196 10.398 16.064 4.597 1.00 0.00 H new ATOM 0 HD3 PRO A 196 11.211 15.497 6.042 1.00 0.00 H new ATOM 148 N THR A 197 6.859 18.393 7.629 1.00 0.00 N ATOM 149 CA THR A 197 5.636 19.137 7.350 1.00 0.00 C ATOM 150 C THR A 197 5.482 20.313 8.327 1.00 0.00 C ATOM 151 O THR A 197 6.279 20.483 9.252 1.00 0.00 O ATOM 152 CB THR A 197 4.404 18.206 7.425 1.00 0.00 C ATOM 153 OG1 THR A 197 4.261 17.667 8.724 1.00 0.00 O ATOM 154 CG2 THR A 197 4.428 17.052 6.415 1.00 0.00 C ATOM 0 H THR A 197 7.096 18.375 8.621 1.00 0.00 H new ATOM 0 HA THR A 197 5.704 19.538 6.339 1.00 0.00 H new ATOM 0 HB THR A 197 3.555 18.841 7.172 1.00 0.00 H new ATOM 0 HG1 THR A 197 3.475 17.082 8.751 1.00 0.00 H new ATOM 0 HG21 THR A 197 3.529 16.446 6.533 1.00 0.00 H new ATOM 0 HG22 THR A 197 4.464 17.455 5.403 1.00 0.00 H new ATOM 0 HG23 THR A 197 5.308 16.433 6.590 1.00 0.00 H new ATOM 162 N TYR A 198 4.443 21.126 8.093 1.00 0.00 N ATOM 163 CA TYR A 198 4.223 22.406 8.767 1.00 0.00 C ATOM 164 C TYR A 198 2.755 22.618 9.166 1.00 0.00 C ATOM 165 O TYR A 198 2.439 22.342 10.319 1.00 0.00 O ATOM 166 CB TYR A 198 4.757 23.534 7.881 1.00 0.00 C ATOM 167 CG TYR A 198 6.259 23.482 7.657 1.00 0.00 C ATOM 168 CD1 TYR A 198 7.135 23.980 8.640 1.00 0.00 C ATOM 169 CD2 TYR A 198 6.779 22.912 6.478 1.00 0.00 C ATOM 170 CE1 TYR A 198 8.527 23.917 8.449 1.00 0.00 C ATOM 171 CE2 TYR A 198 8.169 22.833 6.285 1.00 0.00 C ATOM 172 CZ TYR A 198 9.049 23.340 7.269 1.00 0.00 C ATOM 173 OH TYR A 198 10.398 23.265 7.081 1.00 0.00 O ATOM 0 H TYR A 198 3.716 20.903 7.413 1.00 0.00 H new ATOM 0 HA TYR A 198 4.774 22.406 9.708 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.254 23.493 6.915 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.500 24.491 8.334 1.00 0.00 H new ATOM 0 HD1 TYR A 198 6.736 24.413 9.546 1.00 0.00 H new ATOM 0 HD2 TYR A 198 6.108 22.535 5.721 1.00 0.00 H new ATOM 0 HE1 TYR A 198 9.195 24.308 9.202 1.00 0.00 H new ATOM 0 HE2 TYR A 198 8.565 22.385 5.385 1.00 0.00 H new ATOM 0 HH TYR A 198 10.585 22.839 6.218 1.00 0.00 H new ATOM 183 N CYS A 199 1.875 23.102 8.261 1.00 0.00 N ATOM 184 CA CYS A 199 0.465 23.399 8.545 1.00 0.00 C ATOM 185 C CYS A 199 -0.303 22.205 9.113 1.00 0.00 C ATOM 186 O CYS A 199 0.149 21.064 9.046 1.00 0.00 O ATOM 187 CB CYS A 199 -0.279 24.065 7.360 1.00 0.00 C ATOM 188 SG CYS A 199 -1.630 25.115 7.998 1.00 0.00 S ATOM 0 H CYS A 199 2.137 23.299 7.295 1.00 0.00 H new ATOM 0 HA CYS A 199 0.495 24.147 9.338 1.00 0.00 H new ATOM 0 HB2 CYS A 199 0.416 24.666 6.773 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -0.682 23.301 6.695 1.00 0.00 H new ATOM 0 HG CYS A 199 -2.548 25.242 7.087 1.00 0.00 H new ATOM 193 N LEU A 200 -1.512 22.492 9.614 1.00 0.00 N ATOM 194 CA LEU A 200 -2.504 21.497 10.032 1.00 0.00 C ATOM 195 C LEU A 200 -2.889 20.525 8.902 1.00 0.00 C ATOM 196 O LEU A 200 -3.513 19.495 9.149 1.00 0.00 O ATOM 197 CB LEU A 200 -3.724 22.209 10.648 1.00 0.00 C ATOM 198 CG LEU A 200 -4.567 23.000 9.623 1.00 0.00 C ATOM 199 CD1 LEU A 200 -5.760 22.194 9.086 1.00 0.00 C ATOM 200 CD2 LEU A 200 -5.103 24.300 10.238 1.00 0.00 C ATOM 0 H LEU A 200 -1.834 23.451 9.743 1.00 0.00 H new ATOM 0 HA LEU A 200 -2.052 20.867 10.798 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -4.360 21.468 11.132 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -3.381 22.891 11.426 1.00 0.00 H new ATOM 0 HG LEU A 200 -3.894 23.220 8.794 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -6.316 22.800 8.370 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -5.397 21.292 8.593 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -6.414 21.918 9.913 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -5.693 24.838 9.496 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.730 24.064 11.098 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -4.268 24.923 10.558 1.00 0.00 H new ATOM 212 N CYS A 201 -2.494 20.868 7.671 1.00 0.00 N ATOM 213 CA CYS A 201 -2.662 20.093 6.453 1.00 0.00 C ATOM 214 C CYS A 201 -1.668 18.931 6.332 1.00 0.00 C ATOM 215 O CYS A 201 -1.903 18.011 5.551 1.00 0.00 O ATOM 216 CB CYS A 201 -2.370 21.049 5.304 1.00 0.00 C ATOM 217 SG CYS A 201 -3.542 22.429 5.243 1.00 0.00 S ATOM 0 H CYS A 201 -2.018 21.753 7.496 1.00 0.00 H new ATOM 0 HA CYS A 201 -3.666 19.669 6.448 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -1.358 21.439 5.407 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -2.406 20.503 4.362 1.00 0.00 H new ATOM 0 HG CYS A 201 -2.923 23.537 5.524 1.00 0.00 H new ATOM 223 N HIS A 202 -0.560 19.004 7.080 1.00 0.00 N ATOM 224 CA HIS A 202 0.586 18.107 7.035 1.00 0.00 C ATOM 225 C HIS A 202 1.211 18.060 5.632 1.00 0.00 C ATOM 226 O HIS A 202 1.216 17.018 4.977 1.00 0.00 O ATOM 227 CB HIS A 202 0.251 16.732 7.642 1.00 0.00 C ATOM 228 CG HIS A 202 -0.335 16.767 9.037 1.00 0.00 C ATOM 229 ND1 HIS A 202 -1.101 15.778 9.611 1.00 0.00 N ATOM 230 CD2 HIS A 202 -0.212 17.764 9.972 1.00 0.00 C ATOM 231 CE1 HIS A 202 -1.430 16.177 10.852 1.00 0.00 C ATOM 232 NE2 HIS A 202 -0.913 17.386 11.121 1.00 0.00 N ATOM 0 H HIS A 202 -0.439 19.741 7.775 1.00 0.00 H new ATOM 0 HA HIS A 202 1.371 18.510 7.675 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -0.453 16.224 6.983 1.00 0.00 H new ATOM 0 HB3 HIS A 202 1.160 16.131 7.662 1.00 0.00 H new ATOM 0 HD2 HIS A 202 0.335 18.686 9.842 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -2.030 15.601 11.541 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -1.011 17.919 11.985 1.00 0.00 H new ATOM 240 N GLN A 203 1.742 19.212 5.189 1.00 0.00 N ATOM 241 CA GLN A 203 2.466 19.374 3.934 1.00 0.00 C ATOM 242 C GLN A 203 3.827 20.063 4.123 1.00 0.00 C ATOM 243 O GLN A 203 4.042 20.781 5.100 1.00 0.00 O ATOM 244 CB GLN A 203 1.575 20.066 2.880 1.00 0.00 C ATOM 245 CG GLN A 203 1.559 21.607 2.869 1.00 0.00 C ATOM 246 CD GLN A 203 0.916 22.269 4.085 1.00 0.00 C ATOM 247 OE1 GLN A 203 1.597 22.291 5.227 1.00 0.00 O flip ATOM 248 NE2 GLN A 203 -0.173 22.831 3.992 1.00 0.00 N flip ATOM 0 H GLN A 203 1.672 20.081 5.719 1.00 0.00 H new ATOM 0 HA GLN A 203 2.704 18.381 3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 203 1.892 19.725 1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 203 0.552 19.719 3.023 1.00 0.00 H new ATOM 0 HG2 GLN A 203 2.586 21.962 2.785 1.00 0.00 H new ATOM 0 HG3 GLN A 203 1.032 21.941 1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 203 -0.686 22.807 3.111 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -0.564 23.321 4.796 1.00 0.00 H new ATOM 257 N VAL A 204 4.730 19.840 3.159 1.00 0.00 N ATOM 258 CA VAL A 204 6.111 20.342 3.123 1.00 0.00 C ATOM 259 C VAL A 204 6.147 21.875 2.926 1.00 0.00 C ATOM 260 O VAL A 204 5.106 22.527 2.839 1.00 0.00 O ATOM 261 CB VAL A 204 6.930 19.607 2.018 1.00 0.00 C ATOM 262 CG1 VAL A 204 8.406 19.413 2.422 1.00 0.00 C ATOM 263 CG2 VAL A 204 6.398 18.210 1.646 1.00 0.00 C ATOM 0 H VAL A 204 4.506 19.275 2.340 1.00 0.00 H new ATOM 0 HA VAL A 204 6.575 20.130 4.086 1.00 0.00 H new ATOM 0 HB VAL A 204 6.828 20.269 1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 204 8.937 18.897 1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 204 8.867 20.386 2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 204 8.458 18.819 3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 204 7.029 17.775 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 204 6.412 17.569 2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 204 5.376 18.296 1.276 1.00 0.00 H new ATOM 273 N SER A 205 7.364 22.435 2.852 1.00 0.00 N ATOM 274 CA SER A 205 7.697 23.844 2.621 1.00 0.00 C ATOM 275 C SER A 205 6.838 24.505 1.534 1.00 0.00 C ATOM 276 O SER A 205 6.460 23.876 0.545 1.00 0.00 O ATOM 277 CB SER A 205 9.183 23.967 2.265 1.00 0.00 C ATOM 278 OG SER A 205 9.994 23.455 3.302 1.00 0.00 O ATOM 0 H SER A 205 8.205 21.868 2.961 1.00 0.00 H new ATOM 0 HA SER A 205 7.481 24.377 3.547 1.00 0.00 H new ATOM 0 HB2 SER A 205 9.385 23.427 1.340 1.00 0.00 H new ATOM 0 HB3 SER A 205 9.433 25.013 2.085 1.00 0.00 H new ATOM 0 HG SER A 205 10.938 23.542 3.053 1.00 0.00 H new ATOM 284 N TYR A 206 6.552 25.797 1.738 1.00 0.00 N ATOM 285 CA TYR A 206 5.555 26.558 0.992 1.00 0.00 C ATOM 286 C TYR A 206 5.900 28.053 0.934 1.00 0.00 C ATOM 287 O TYR A 206 6.755 28.540 1.675 1.00 0.00 O ATOM 288 CB TYR A 206 4.175 26.322 1.635 1.00 0.00 C ATOM 289 CG TYR A 206 4.066 26.627 3.124 1.00 0.00 C ATOM 290 CD1 TYR A 206 4.640 25.754 4.072 1.00 0.00 C ATOM 291 CD2 TYR A 206 3.360 27.760 3.573 1.00 0.00 C ATOM 292 CE1 TYR A 206 4.561 26.033 5.443 1.00 0.00 C ATOM 293 CE2 TYR A 206 3.204 27.988 4.951 1.00 0.00 C ATOM 294 CZ TYR A 206 3.820 27.141 5.890 1.00 0.00 C ATOM 295 OH TYR A 206 3.730 27.414 7.219 1.00 0.00 O ATOM 0 H TYR A 206 7.025 26.354 2.450 1.00 0.00 H new ATOM 0 HA TYR A 206 5.541 26.211 -0.041 1.00 0.00 H new ATOM 0 HB2 TYR A 206 3.442 26.931 1.106 1.00 0.00 H new ATOM 0 HB3 TYR A 206 3.897 25.280 1.477 1.00 0.00 H new ATOM 0 HD1 TYR A 206 5.146 24.861 3.737 1.00 0.00 H new ATOM 0 HD2 TYR A 206 2.939 28.453 2.859 1.00 0.00 H new ATOM 0 HE1 TYR A 206 5.068 25.398 6.155 1.00 0.00 H new ATOM 0 HE2 TYR A 206 2.606 28.820 5.292 1.00 0.00 H new ATOM 0 HH TYR A 206 3.292 28.281 7.346 1.00 0.00 H new ATOM 305 N GLY A 207 5.218 28.765 0.025 1.00 0.00 N ATOM 306 CA GLY A 207 5.536 30.134 -0.369 1.00 0.00 C ATOM 307 C GLY A 207 5.307 31.189 0.715 1.00 0.00 C ATOM 308 O GLY A 207 6.201 32.002 0.945 1.00 0.00 O ATOM 0 H GLY A 207 4.408 28.388 -0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 207 6.580 30.174 -0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 207 4.935 30.394 -1.241 1.00 0.00 H new ATOM 312 N GLU A 208 4.143 31.175 1.384 1.00 0.00 N ATOM 313 CA GLU A 208 3.722 32.237 2.288 1.00 0.00 C ATOM 314 C GLU A 208 3.328 31.642 3.640 1.00 0.00 C ATOM 315 O GLU A 208 2.486 30.749 3.707 1.00 0.00 O ATOM 316 CB GLU A 208 2.622 33.057 1.602 1.00 0.00 C ATOM 317 CG GLU A 208 1.166 32.556 1.696 1.00 0.00 C ATOM 318 CD GLU A 208 0.883 31.149 1.157 1.00 0.00 C ATOM 319 OE1 GLU A 208 1.513 30.755 0.150 1.00 0.00 O ATOM 320 OE2 GLU A 208 0.012 30.488 1.766 1.00 0.00 O ATOM 0 H GLU A 208 3.467 30.415 1.306 1.00 0.00 H new ATOM 0 HA GLU A 208 4.535 32.929 2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 208 2.653 34.065 2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 208 2.878 33.137 0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 208 0.863 32.586 2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 208 0.529 33.260 1.160 1.00 0.00 H new ATOM 327 N MET A 209 3.945 32.143 4.718 1.00 0.00 N ATOM 328 CA MET A 209 3.888 31.481 6.020 1.00 0.00 C ATOM 329 C MET A 209 3.744 32.444 7.196 1.00 0.00 C ATOM 330 O MET A 209 4.342 33.521 7.215 1.00 0.00 O ATOM 331 CB MET A 209 5.196 30.689 6.283 1.00 0.00 C ATOM 332 CG MET A 209 5.944 30.021 5.119 1.00 0.00 C ATOM 333 SD MET A 209 7.584 29.387 5.592 1.00 0.00 S ATOM 334 CE MET A 209 7.183 27.972 6.659 1.00 0.00 C ATOM 0 H MET A 209 4.489 33.006 4.710 1.00 0.00 H new ATOM 0 HA MET A 209 3.008 30.840 5.965 1.00 0.00 H new ATOM 0 HB2 MET A 209 5.895 31.371 6.767 1.00 0.00 H new ATOM 0 HB3 MET A 209 4.961 29.908 7.006 1.00 0.00 H new ATOM 0 HG2 MET A 209 5.341 29.199 4.732 1.00 0.00 H new ATOM 0 HG3 MET A 209 6.059 30.741 4.309 1.00 0.00 H new ATOM 0 HE1 MET A 209 7.935 27.883 7.443 1.00 0.00 H new ATOM 0 HE2 MET A 209 6.203 28.124 7.111 1.00 0.00 H new ATOM 0 HE3 MET A 209 7.170 27.059 6.063 1.00 0.00 H new ATOM 344 N ILE A 210 3.046 31.955 8.228 1.00 0.00 N ATOM 345 CA ILE A 210 2.946 32.558 9.557 1.00 0.00 C ATOM 346 C ILE A 210 3.122 31.473 10.628 1.00 0.00 C ATOM 347 O ILE A 210 2.866 30.299 10.371 1.00 0.00 O ATOM 348 CB ILE A 210 1.617 33.334 9.695 1.00 0.00 C ATOM 349 CG1 ILE A 210 1.613 34.205 10.968 1.00 0.00 C ATOM 350 CG2 ILE A 210 0.381 32.415 9.605 1.00 0.00 C ATOM 351 CD1 ILE A 210 0.552 35.306 10.929 1.00 0.00 C ATOM 0 H ILE A 210 2.512 31.089 8.153 1.00 0.00 H new ATOM 0 HA ILE A 210 3.745 33.286 9.700 1.00 0.00 H new ATOM 0 HB ILE A 210 1.546 34.007 8.840 1.00 0.00 H new ATOM 0 HG12 ILE A 210 1.439 33.570 11.837 1.00 0.00 H new ATOM 0 HG13 ILE A 210 2.596 34.658 11.096 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -0.525 33.012 9.708 1.00 0.00 H new ATOM 0 HG22 ILE A 210 0.374 31.909 8.640 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.420 31.674 10.403 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.596 35.887 11.850 1.00 0.00 H new ATOM 0 HD12 ILE A 210 0.739 35.961 10.078 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.436 34.856 10.831 1.00 0.00 H new ATOM 363 N GLY A 211 3.553 31.876 11.828 1.00 0.00 N ATOM 364 CA GLY A 211 3.921 30.982 12.921 1.00 0.00 C ATOM 365 C GLY A 211 3.298 31.401 14.253 1.00 0.00 C ATOM 366 O GLY A 211 3.225 32.586 14.575 1.00 0.00 O ATOM 0 H GLY A 211 3.657 32.862 12.068 1.00 0.00 H new ATOM 0 HA2 GLY A 211 3.605 29.967 12.679 1.00 0.00 H new ATOM 0 HA3 GLY A 211 5.006 30.963 13.021 1.00 0.00 H new ATOM 370 N CYS A 212 2.838 30.391 15.005 1.00 0.00 N ATOM 371 CA CYS A 212 1.981 30.531 16.185 1.00 0.00 C ATOM 372 C CYS A 212 2.774 30.931 17.431 1.00 0.00 C ATOM 373 O CYS A 212 3.743 30.269 17.797 1.00 0.00 O ATOM 374 CB CYS A 212 1.145 29.249 16.394 1.00 0.00 C ATOM 375 SG CYS A 212 0.715 28.395 14.900 1.00 0.00 S ATOM 0 H CYS A 212 3.063 29.418 14.798 1.00 0.00 H new ATOM 0 HA CYS A 212 1.286 31.352 16.007 1.00 0.00 H new ATOM 0 HB2 CYS A 212 1.702 28.569 17.038 1.00 0.00 H new ATOM 0 HB3 CYS A 212 0.229 29.511 16.924 1.00 0.00 H new ATOM 0 HG CYS A 212 -0.305 27.620 15.121 1.00 0.00 H new ATOM 380 N ASP A 213 2.317 32.011 18.081 1.00 0.00 N ATOM 381 CA ASP A 213 2.939 32.654 19.240 1.00 0.00 C ATOM 382 C ASP A 213 2.853 31.817 20.534 1.00 0.00 C ATOM 383 O ASP A 213 3.394 32.223 21.562 1.00 0.00 O ATOM 384 CB ASP A 213 2.268 34.029 19.417 1.00 0.00 C ATOM 385 CG ASP A 213 2.959 34.930 20.442 1.00 0.00 C ATOM 386 OD1 ASP A 213 4.048 35.443 20.103 1.00 0.00 O ATOM 387 OD2 ASP A 213 2.370 35.123 21.528 1.00 0.00 O ATOM 0 H ASP A 213 1.458 32.482 17.795 1.00 0.00 H new ATOM 0 HA ASP A 213 4.008 32.757 19.051 1.00 0.00 H new ATOM 0 HB2 ASP A 213 2.249 34.539 18.454 1.00 0.00 H new ATOM 0 HB3 ASP A 213 1.231 33.880 19.719 1.00 0.00 H new ATOM 392 N ASN A 214 2.178 30.658 20.503 1.00 0.00 N ATOM 393 CA ASN A 214 1.935 29.837 21.680 1.00 0.00 C ATOM 394 C ASN A 214 3.240 29.225 22.219 1.00 0.00 C ATOM 395 O ASN A 214 4.088 28.820 21.420 1.00 0.00 O ATOM 396 CB ASN A 214 1.057 28.627 21.331 1.00 0.00 C ATOM 397 CG ASN A 214 -0.278 28.866 20.640 1.00 0.00 C ATOM 398 OD1 ASN A 214 -0.379 29.517 19.600 1.00 0.00 O ATOM 399 ND2 ASN A 214 -1.303 28.174 21.124 1.00 0.00 N ATOM 0 H ASN A 214 1.785 30.268 19.647 1.00 0.00 H new ATOM 0 HA ASN A 214 1.464 30.497 22.408 1.00 0.00 H new ATOM 0 HB2 ASN A 214 1.644 27.965 20.695 1.00 0.00 H new ATOM 0 HB3 ASN A 214 0.858 28.086 22.256 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -2.197 28.175 20.632 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -1.197 27.642 21.988 1.00 0.00 H new ATOM 406 N PRO A 215 3.366 29.038 23.546 1.00 0.00 N ATOM 407 CA PRO A 215 4.412 28.213 24.139 1.00 0.00 C ATOM 408 C PRO A 215 4.035 26.710 24.102 1.00 0.00 C ATOM 409 O PRO A 215 4.769 25.898 24.661 1.00 0.00 O ATOM 410 CB PRO A 215 4.548 28.744 25.569 1.00 0.00 C ATOM 411 CG PRO A 215 3.123 29.165 25.924 1.00 0.00 C ATOM 412 CD PRO A 215 2.537 29.630 24.588 1.00 0.00 C ATOM 0 HA PRO A 215 5.354 28.275 23.595 1.00 0.00 H new ATOM 0 HB2 PRO A 215 4.922 27.978 26.249 1.00 0.00 H new ATOM 0 HB3 PRO A 215 5.241 29.584 25.622 1.00 0.00 H new ATOM 0 HG2 PRO A 215 2.554 28.336 26.344 1.00 0.00 H new ATOM 0 HG3 PRO A 215 3.115 29.965 26.665 1.00 0.00 H new ATOM 0 HD2 PRO A 215 1.500 29.311 24.487 1.00 0.00 H new ATOM 0 HD3 PRO A 215 2.544 30.718 24.519 1.00 0.00 H new ATOM 420 N ASP A 216 2.908 26.343 23.456 1.00 0.00 N ATOM 421 CA ASP A 216 2.296 25.009 23.512 1.00 0.00 C ATOM 422 C ASP A 216 1.869 24.448 22.144 1.00 0.00 C ATOM 423 O ASP A 216 1.556 23.259 22.058 1.00 0.00 O ATOM 424 CB ASP A 216 1.045 25.051 24.410 1.00 0.00 C ATOM 425 CG ASP A 216 1.264 25.704 25.774 1.00 0.00 C ATOM 426 OD1 ASP A 216 2.096 25.175 26.543 1.00 0.00 O ATOM 427 OD2 ASP A 216 0.579 26.720 26.026 1.00 0.00 O ATOM 0 H ASP A 216 2.387 26.990 22.865 1.00 0.00 H new ATOM 0 HA ASP A 216 3.070 24.352 23.908 1.00 0.00 H new ATOM 0 HB2 ASP A 216 0.256 25.590 23.886 1.00 0.00 H new ATOM 0 HB3 ASP A 216 0.689 24.032 24.562 1.00 0.00 H new ATOM 432 N CYS A 217 1.820 25.276 21.088 1.00 0.00 N ATOM 433 CA CYS A 217 1.364 24.868 19.766 1.00 0.00 C ATOM 434 C CYS A 217 2.294 23.806 19.189 1.00 0.00 C ATOM 435 O CYS A 217 3.517 23.941 19.200 1.00 0.00 O ATOM 436 CB CYS A 217 1.203 26.073 18.833 1.00 0.00 C ATOM 437 SG CYS A 217 0.411 25.595 17.274 1.00 0.00 S ATOM 0 H CYS A 217 2.100 26.255 21.137 1.00 0.00 H new ATOM 0 HA CYS A 217 0.375 24.420 19.862 1.00 0.00 H new ATOM 0 HB2 CYS A 217 0.607 26.841 19.326 1.00 0.00 H new ATOM 0 HB3 CYS A 217 2.180 26.511 18.628 1.00 0.00 H new ATOM 0 HG CYS A 217 0.598 26.528 16.388 1.00 0.00 H new ATOM 443 N SER A 218 1.653 22.756 18.676 1.00 0.00 N ATOM 444 CA SER A 218 2.282 21.530 18.184 1.00 0.00 C ATOM 445 C SER A 218 2.196 21.425 16.654 1.00 0.00 C ATOM 446 O SER A 218 2.503 20.375 16.092 1.00 0.00 O ATOM 447 CB SER A 218 1.645 20.321 18.883 1.00 0.00 C ATOM 448 OG SER A 218 1.882 20.371 20.276 1.00 0.00 O ATOM 0 H SER A 218 0.637 22.736 18.588 1.00 0.00 H new ATOM 0 HA SER A 218 3.345 21.551 18.425 1.00 0.00 H new ATOM 0 HB2 SER A 218 0.572 20.307 18.691 1.00 0.00 H new ATOM 0 HB3 SER A 218 2.055 19.398 18.472 1.00 0.00 H new ATOM 0 HG SER A 218 1.468 19.594 20.706 1.00 0.00 H new ATOM 454 N ILE A 219 1.806 22.527 15.994 1.00 0.00 N ATOM 455 CA ILE A 219 1.790 22.694 14.544 1.00 0.00 C ATOM 456 C ILE A 219 2.727 23.860 14.173 1.00 0.00 C ATOM 457 O ILE A 219 3.513 23.709 13.241 1.00 0.00 O ATOM 458 CB ILE A 219 0.337 22.898 14.046 1.00 0.00 C ATOM 459 CG1 ILE A 219 -0.650 21.783 14.473 1.00 0.00 C ATOM 460 CG2 ILE A 219 0.278 23.078 12.518 1.00 0.00 C ATOM 461 CD1 ILE A 219 -0.367 20.380 13.914 1.00 0.00 C ATOM 0 H ILE A 219 1.480 23.360 16.485 1.00 0.00 H new ATOM 0 HA ILE A 219 2.159 21.798 14.045 1.00 0.00 H new ATOM 0 HB ILE A 219 0.010 23.814 14.539 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -0.652 21.725 15.561 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -1.654 22.078 14.168 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -0.757 23.218 12.208 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.864 23.951 12.232 1.00 0.00 H new ATOM 0 HG23 ILE A 219 0.686 22.192 12.031 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -1.121 19.684 14.280 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -0.398 20.409 12.825 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.619 20.051 14.240 1.00 0.00 H new ATOM 473 N GLU A 220 2.684 24.951 14.967 1.00 0.00 N ATOM 474 CA GLU A 220 3.531 26.158 15.024 1.00 0.00 C ATOM 475 C GLU A 220 3.874 26.916 13.721 1.00 0.00 C ATOM 476 O GLU A 220 4.389 28.026 13.823 1.00 0.00 O ATOM 477 CB GLU A 220 4.796 25.881 15.858 1.00 0.00 C ATOM 478 CG GLU A 220 5.792 24.925 15.180 1.00 0.00 C ATOM 479 CD GLU A 220 7.162 24.971 15.854 1.00 0.00 C ATOM 480 OE1 GLU A 220 7.285 24.374 16.946 1.00 0.00 O ATOM 481 OE2 GLU A 220 8.066 25.605 15.265 1.00 0.00 O ATOM 0 H GLU A 220 1.955 25.011 15.678 1.00 0.00 H new ATOM 0 HA GLU A 220 2.867 26.876 15.505 1.00 0.00 H new ATOM 0 HB2 GLU A 220 5.298 26.826 16.064 1.00 0.00 H new ATOM 0 HB3 GLU A 220 4.501 25.461 16.819 1.00 0.00 H new ATOM 0 HG2 GLU A 220 5.402 23.908 15.215 1.00 0.00 H new ATOM 0 HG3 GLU A 220 5.894 25.191 14.128 1.00 0.00 H new ATOM 488 N TRP A 221 3.571 26.387 12.530 1.00 0.00 N ATOM 489 CA TRP A 221 3.684 27.037 11.237 1.00 0.00 C ATOM 490 C TRP A 221 2.481 26.666 10.384 1.00 0.00 C ATOM 491 O TRP A 221 2.065 25.511 10.353 1.00 0.00 O ATOM 492 CB TRP A 221 4.910 26.527 10.506 1.00 0.00 C ATOM 493 CG TRP A 221 6.208 27.144 10.868 1.00 0.00 C ATOM 494 CD1 TRP A 221 7.196 26.559 11.576 1.00 0.00 C ATOM 495 CD2 TRP A 221 6.704 28.457 10.479 1.00 0.00 C ATOM 496 NE1 TRP A 221 8.285 27.398 11.615 1.00 0.00 N ATOM 497 CE2 TRP A 221 8.058 28.561 10.904 1.00 0.00 C ATOM 498 CE3 TRP A 221 6.157 29.552 9.777 1.00 0.00 C ATOM 499 CZ2 TRP A 221 8.850 29.668 10.574 1.00 0.00 C ATOM 500 CZ3 TRP A 221 6.929 30.694 9.495 1.00 0.00 C ATOM 501 CH2 TRP A 221 8.281 30.745 9.874 1.00 0.00 C ATOM 0 H TRP A 221 3.219 25.433 12.448 1.00 0.00 H new ATOM 0 HA TRP A 221 3.747 28.113 11.397 1.00 0.00 H new ATOM 0 HB2 TRP A 221 4.985 25.453 10.676 1.00 0.00 H new ATOM 0 HB3 TRP A 221 4.752 26.670 9.437 1.00 0.00 H new ATOM 0 HD1 TRP A 221 7.141 25.585 12.039 1.00 0.00 H new ATOM 0 HE1 TRP A 221 9.153 27.188 12.108 1.00 0.00 H new ATOM 0 HE3 TRP A 221 5.128 29.513 9.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 9.892 29.694 10.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 6.481 31.534 8.986 1.00 0.00 H new ATOM 0 HH2 TRP A 221 8.881 31.609 9.628 1.00 0.00 H new ATOM 512 N PHE A 222 1.926 27.676 9.715 1.00 0.00 N ATOM 513 CA PHE A 222 0.650 27.621 9.006 1.00 0.00 C ATOM 514 C PHE A 222 0.737 28.459 7.733 1.00 0.00 C ATOM 515 O PHE A 222 1.525 29.403 7.651 1.00 0.00 O ATOM 516 CB PHE A 222 -0.504 28.178 9.877 1.00 0.00 C ATOM 517 CG PHE A 222 -0.933 27.343 11.074 1.00 0.00 C ATOM 518 CD1 PHE A 222 -0.006 27.053 12.085 1.00 0.00 C ATOM 519 CD2 PHE A 222 -2.265 26.904 11.234 1.00 0.00 C ATOM 520 CE1 PHE A 222 -0.352 26.249 13.168 1.00 0.00 C ATOM 521 CE2 PHE A 222 -2.648 26.223 12.410 1.00 0.00 C ATOM 522 CZ PHE A 222 -1.683 25.920 13.387 1.00 0.00 C ATOM 0 H PHE A 222 2.372 28.591 9.650 1.00 0.00 H new ATOM 0 HA PHE A 222 0.445 26.577 8.770 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -0.209 29.163 10.240 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -1.373 28.321 9.235 1.00 0.00 H new ATOM 0 HD1 PHE A 222 0.993 27.460 12.023 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -2.991 27.089 10.457 1.00 0.00 H new ATOM 0 HE1 PHE A 222 0.413 25.882 13.836 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -3.678 25.936 12.559 1.00 0.00 H new ATOM 0 HZ PHE A 222 -1.976 25.433 14.305 1.00 0.00 H new ATOM 532 N HIS A 223 -0.112 28.130 6.753 1.00 0.00 N ATOM 533 CA HIS A 223 -0.317 28.990 5.593 1.00 0.00 C ATOM 534 C HIS A 223 -1.138 30.206 6.007 1.00 0.00 C ATOM 535 O HIS A 223 -2.007 30.116 6.878 1.00 0.00 O ATOM 536 CB HIS A 223 -1.033 28.244 4.453 1.00 0.00 C ATOM 537 CG HIS A 223 -0.209 27.211 3.723 1.00 0.00 C ATOM 538 ND1 HIS A 223 0.039 27.230 2.381 1.00 0.00 N flip ATOM 539 CD2 HIS A 223 0.410 26.088 4.289 1.00 0.00 C flip ATOM 540 CE1 HIS A 223 0.836 26.148 2.113 1.00 0.00 C flip ATOM 541 NE2 HIS A 223 1.069 25.508 3.270 1.00 0.00 N flip ATOM 0 H HIS A 223 -0.666 27.274 6.744 1.00 0.00 H new ATOM 0 HA HIS A 223 0.660 29.303 5.224 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -1.915 27.753 4.864 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -1.385 28.978 3.729 1.00 0.00 H new ATOM 0 HD1 HIS A 223 -0.303 27.916 1.708 1.00 0.00 H new ATOM 0 HD2 HIS A 223 0.367 25.760 5.317 1.00 0.00 H new ATOM 0 HE1 HIS A 223 1.211 25.861 1.142 1.00 0.00 H new ATOM 549 N PHE A 224 -0.877 31.331 5.333 1.00 0.00 N ATOM 550 CA PHE A 224 -1.753 32.501 5.408 1.00 0.00 C ATOM 551 C PHE A 224 -3.188 32.090 5.104 1.00 0.00 C ATOM 552 O PHE A 224 -4.077 32.347 5.903 1.00 0.00 O ATOM 553 CB PHE A 224 -1.321 33.591 4.411 1.00 0.00 C ATOM 554 CG PHE A 224 -0.052 34.372 4.693 1.00 0.00 C ATOM 555 CD1 PHE A 224 0.598 34.333 5.943 1.00 0.00 C ATOM 556 CD2 PHE A 224 0.494 35.148 3.652 1.00 0.00 C ATOM 557 CE1 PHE A 224 1.834 34.979 6.102 1.00 0.00 C ATOM 558 CE2 PHE A 224 1.744 35.765 3.807 1.00 0.00 C ATOM 559 CZ PHE A 224 2.439 35.624 5.016 1.00 0.00 C ATOM 0 H PHE A 224 -0.064 31.454 4.729 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.683 32.906 6.417 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -1.210 33.120 3.434 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -2.139 34.307 4.329 1.00 0.00 H new ATOM 0 HD1 PHE A 224 0.148 33.809 6.773 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -0.053 35.269 2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 224 2.321 34.979 7.066 1.00 0.00 H new ATOM 0 HE2 PHE A 224 2.168 36.345 3.000 1.00 0.00 H new ATOM 0 HZ PHE A 224 3.442 36.013 5.110 1.00 0.00 H new ATOM 569 N ALA A 225 -3.401 31.387 3.995 1.00 0.00 N ATOM 570 CA ALA A 225 -4.720 30.975 3.556 1.00 0.00 C ATOM 571 C ALA A 225 -5.349 29.888 4.442 1.00 0.00 C ATOM 572 O ALA A 225 -6.560 29.690 4.350 1.00 0.00 O ATOM 573 CB ALA A 225 -4.637 30.513 2.098 1.00 0.00 C ATOM 0 H ALA A 225 -2.651 31.087 3.373 1.00 0.00 H new ATOM 0 HA ALA A 225 -5.380 31.838 3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -5.625 30.201 1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.282 31.334 1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -3.945 29.674 2.021 1.00 0.00 H new ATOM 579 N CYS A 226 -4.581 29.213 5.319 1.00 0.00 N ATOM 580 CA CYS A 226 -5.117 28.280 6.288 1.00 0.00 C ATOM 581 C CYS A 226 -5.747 28.981 7.505 1.00 0.00 C ATOM 582 O CYS A 226 -6.419 28.310 8.286 1.00 0.00 O ATOM 583 CB CYS A 226 -3.971 27.362 6.699 1.00 0.00 C ATOM 584 SG CYS A 226 -3.879 25.942 5.569 1.00 0.00 S ATOM 0 H CYS A 226 -3.567 29.311 5.363 1.00 0.00 H new ATOM 0 HA CYS A 226 -5.932 27.711 5.841 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -3.030 27.912 6.683 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -4.120 27.015 7.721 1.00 0.00 H new ATOM 0 HG CYS A 226 -3.470 26.342 4.402 1.00 0.00 H new ATOM 590 N VAL A 227 -5.585 30.309 7.633 1.00 0.00 N ATOM 591 CA VAL A 227 -6.274 31.172 8.596 1.00 0.00 C ATOM 592 C VAL A 227 -7.119 32.252 7.906 1.00 0.00 C ATOM 593 O VAL A 227 -7.978 32.869 8.534 1.00 0.00 O ATOM 594 CB VAL A 227 -5.256 31.748 9.606 1.00 0.00 C ATOM 595 CG1 VAL A 227 -4.282 32.784 9.026 1.00 0.00 C ATOM 596 CG2 VAL A 227 -5.940 32.340 10.850 1.00 0.00 C ATOM 0 H VAL A 227 -4.940 30.830 7.039 1.00 0.00 H new ATOM 0 HA VAL A 227 -6.989 30.570 9.156 1.00 0.00 H new ATOM 0 HB VAL A 227 -4.662 30.879 9.888 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -3.608 33.129 9.810 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -3.702 32.329 8.224 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -4.844 33.631 8.632 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -5.183 32.732 11.530 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -6.609 33.146 10.548 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -6.513 31.562 11.355 1.00 0.00 H new ATOM 606 N GLY A 228 -6.886 32.442 6.605 1.00 0.00 N ATOM 607 CA GLY A 228 -7.583 33.391 5.746 1.00 0.00 C ATOM 608 C GLY A 228 -6.833 34.715 5.572 1.00 0.00 C ATOM 609 O GLY A 228 -7.455 35.699 5.174 1.00 0.00 O ATOM 0 H GLY A 228 -6.173 31.912 6.103 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -7.738 32.938 4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -8.569 33.592 6.164 1.00 0.00 H new ATOM 613 N LEU A 229 -5.527 34.760 5.885 1.00 0.00 N ATOM 614 CA LEU A 229 -4.691 35.939 5.697 1.00 0.00 C ATOM 615 C LEU A 229 -4.413 36.193 4.209 1.00 0.00 C ATOM 616 O LEU A 229 -4.509 35.295 3.371 1.00 0.00 O ATOM 617 CB LEU A 229 -3.372 35.800 6.488 1.00 0.00 C ATOM 618 CG LEU A 229 -3.427 36.332 7.933 1.00 0.00 C ATOM 619 CD1 LEU A 229 -2.153 35.908 8.678 1.00 0.00 C ATOM 620 CD2 LEU A 229 -3.539 37.864 7.985 1.00 0.00 C ATOM 0 H LEU A 229 -5.024 33.965 6.280 1.00 0.00 H new ATOM 0 HA LEU A 229 -5.234 36.802 6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -3.089 34.748 6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -2.585 36.329 5.951 1.00 0.00 H new ATOM 0 HG LEU A 229 -4.316 35.911 8.403 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -2.188 36.283 9.701 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -2.085 34.820 8.692 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -1.281 36.320 8.171 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -3.575 38.191 9.024 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -2.674 38.309 7.494 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -4.448 38.180 7.474 1.00 0.00 H new ATOM 632 N THR A 230 -4.022 37.439 3.918 1.00 0.00 N ATOM 633 CA THR A 230 -3.690 37.949 2.583 1.00 0.00 C ATOM 634 C THR A 230 -2.376 38.762 2.629 1.00 0.00 C ATOM 635 O THR A 230 -1.899 39.232 1.599 1.00 0.00 O ATOM 636 CB THR A 230 -4.884 38.780 2.051 1.00 0.00 C ATOM 637 OG1 THR A 230 -6.099 38.073 2.214 1.00 0.00 O ATOM 638 CG2 THR A 230 -4.785 39.148 0.565 1.00 0.00 C ATOM 0 H THR A 230 -3.924 38.152 4.641 1.00 0.00 H new ATOM 0 HA THR A 230 -3.520 37.122 1.893 1.00 0.00 H new ATOM 0 HB THR A 230 -4.857 39.698 2.639 1.00 0.00 H new ATOM 0 HG1 THR A 230 -6.841 38.615 1.874 1.00 0.00 H new ATOM 0 HG21 THR A 230 -5.661 39.729 0.275 1.00 0.00 H new ATOM 0 HG22 THR A 230 -3.885 39.739 0.396 1.00 0.00 H new ATOM 0 HG23 THR A 230 -4.739 38.238 -0.033 1.00 0.00 H new ATOM 646 N THR A 231 -1.775 38.904 3.821 1.00 0.00 N ATOM 647 CA THR A 231 -0.545 39.646 4.086 1.00 0.00 C ATOM 648 C THR A 231 0.194 39.015 5.281 1.00 0.00 C ATOM 649 O THR A 231 -0.313 38.080 5.906 1.00 0.00 O ATOM 650 CB THR A 231 -0.896 41.133 4.312 1.00 0.00 C ATOM 651 OG1 THR A 231 0.272 41.926 4.277 1.00 0.00 O ATOM 652 CG2 THR A 231 -1.641 41.405 5.628 1.00 0.00 C ATOM 0 H THR A 231 -2.159 38.480 4.666 1.00 0.00 H new ATOM 0 HA THR A 231 0.133 39.594 3.234 1.00 0.00 H new ATOM 0 HB THR A 231 -1.572 41.399 3.499 1.00 0.00 H new ATOM 0 HG1 THR A 231 0.034 42.866 4.420 1.00 0.00 H new ATOM 0 HG21 THR A 231 -1.852 42.471 5.713 1.00 0.00 H new ATOM 0 HG22 THR A 231 -2.578 40.848 5.637 1.00 0.00 H new ATOM 0 HG23 THR A 231 -1.023 41.089 6.468 1.00 0.00 H new ATOM 660 N LYS A 232 1.378 39.550 5.612 1.00 0.00 N ATOM 661 CA LYS A 232 2.196 39.105 6.734 1.00 0.00 C ATOM 662 C LYS A 232 2.170 40.174 7.841 1.00 0.00 C ATOM 663 O LYS A 232 2.819 41.210 7.685 1.00 0.00 O ATOM 664 CB LYS A 232 3.624 38.800 6.255 1.00 0.00 C ATOM 665 CG LYS A 232 4.400 38.049 7.349 1.00 0.00 C ATOM 666 CD LYS A 232 5.751 37.531 6.836 1.00 0.00 C ATOM 667 CE LYS A 232 6.577 36.875 7.950 1.00 0.00 C ATOM 668 NZ LYS A 232 5.908 35.692 8.527 1.00 0.00 N ATOM 0 H LYS A 232 1.797 40.321 5.092 1.00 0.00 H new ATOM 0 HA LYS A 232 1.792 38.183 7.151 1.00 0.00 H new ATOM 0 HB2 LYS A 232 3.590 38.200 5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 232 4.138 39.728 6.006 1.00 0.00 H new ATOM 0 HG2 LYS A 232 4.564 38.712 8.199 1.00 0.00 H new ATOM 0 HG3 LYS A 232 3.802 37.211 7.709 1.00 0.00 H new ATOM 0 HD2 LYS A 232 5.582 36.809 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 232 6.316 38.358 6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 232 7.549 36.581 7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 232 6.762 37.605 8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 6.611 35.097 9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 5.186 36.000 9.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 5.455 35.144 7.768 1.00 0.00 H new ATOM 682 N PRO A 233 1.444 39.951 8.956 1.00 0.00 N ATOM 683 CA PRO A 233 1.463 40.840 10.114 1.00 0.00 C ATOM 684 C PRO A 233 2.778 40.707 10.904 1.00 0.00 C ATOM 685 O PRO A 233 3.612 39.845 10.616 1.00 0.00 O ATOM 686 CB PRO A 233 0.245 40.420 10.949 1.00 0.00 C ATOM 687 CG PRO A 233 0.140 38.923 10.674 1.00 0.00 C ATOM 688 CD PRO A 233 0.566 38.815 9.211 1.00 0.00 C ATOM 0 HA PRO A 233 1.411 41.891 9.828 1.00 0.00 H new ATOM 0 HB2 PRO A 233 0.392 40.626 12.009 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -0.657 40.951 10.643 1.00 0.00 H new ATOM 0 HG2 PRO A 233 0.792 38.345 11.329 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -0.874 38.554 10.828 1.00 0.00 H new ATOM 0 HD2 PRO A 233 1.084 37.874 9.025 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -0.301 38.838 8.551 1.00 0.00 H new ATOM 696 N ARG A 234 2.934 41.550 11.935 1.00 0.00 N ATOM 697 CA ARG A 234 4.032 41.503 12.889 1.00 0.00 C ATOM 698 C ARG A 234 3.470 41.794 14.279 1.00 0.00 C ATOM 699 O ARG A 234 2.679 42.716 14.477 1.00 0.00 O ATOM 700 CB ARG A 234 5.121 42.510 12.498 1.00 0.00 C ATOM 701 CG ARG A 234 6.389 42.369 13.358 1.00 0.00 C ATOM 702 CD ARG A 234 7.459 43.410 13.000 1.00 0.00 C ATOM 703 NE ARG A 234 7.983 43.227 11.637 1.00 0.00 N ATOM 704 CZ ARG A 234 8.973 43.943 11.082 1.00 0.00 C ATOM 705 NH1 ARG A 234 9.595 44.916 11.753 1.00 0.00 N ATOM 706 NH2 ARG A 234 9.350 43.680 9.830 1.00 0.00 N ATOM 0 H ARG A 234 2.274 42.304 12.127 1.00 0.00 H new ATOM 0 HA ARG A 234 4.495 40.516 12.889 1.00 0.00 H new ATOM 0 HB2 ARG A 234 5.380 42.371 11.448 1.00 0.00 H new ATOM 0 HB3 ARG A 234 4.729 43.522 12.598 1.00 0.00 H new ATOM 0 HG2 ARG A 234 6.124 42.472 14.410 1.00 0.00 H new ATOM 0 HG3 ARG A 234 6.802 41.369 13.230 1.00 0.00 H new ATOM 0 HD2 ARG A 234 7.035 44.410 13.093 1.00 0.00 H new ATOM 0 HD3 ARG A 234 8.280 43.344 13.714 1.00 0.00 H new ATOM 0 HE ARG A 234 7.559 42.495 11.067 1.00 0.00 H new ATOM 0 HH11 ARG A 234 9.321 45.130 12.712 1.00 0.00 H new ATOM 0 HH12 ARG A 234 10.345 45.445 11.307 1.00 0.00 H new ATOM 0 HH21 ARG A 234 8.887 42.940 9.303 1.00 0.00 H new ATOM 0 HH22 ARG A 234 10.102 44.219 9.400 1.00 0.00 H new ATOM 720 N GLY A 235 3.899 40.952 15.215 1.00 0.00 N ATOM 721 CA GLY A 235 3.394 40.852 16.578 1.00 0.00 C ATOM 722 C GLY A 235 2.934 39.425 16.885 1.00 0.00 C ATOM 723 O GLY A 235 3.071 38.520 16.058 1.00 0.00 O ATOM 0 H GLY A 235 4.649 40.286 15.031 1.00 0.00 H new ATOM 0 HA2 GLY A 235 4.173 41.147 17.281 1.00 0.00 H new ATOM 0 HA3 GLY A 235 2.563 41.544 16.714 1.00 0.00 H new ATOM 727 N LYS A 236 2.370 39.234 18.085 1.00 0.00 N ATOM 728 CA LYS A 236 1.755 37.986 18.499 1.00 0.00 C ATOM 729 C LYS A 236 0.499 37.710 17.669 1.00 0.00 C ATOM 730 O LYS A 236 -0.374 38.562 17.504 1.00 0.00 O ATOM 731 CB LYS A 236 1.472 37.983 20.012 1.00 0.00 C ATOM 732 CG LYS A 236 0.561 39.105 20.536 1.00 0.00 C ATOM 733 CD LYS A 236 0.405 38.988 22.057 1.00 0.00 C ATOM 734 CE LYS A 236 -0.516 40.090 22.584 1.00 0.00 C ATOM 735 NZ LYS A 236 -0.681 39.997 24.046 1.00 0.00 N ATOM 0 H LYS A 236 2.333 39.960 18.800 1.00 0.00 H new ATOM 0 HA LYS A 236 2.454 37.171 18.312 1.00 0.00 H new ATOM 0 HB2 LYS A 236 1.021 37.026 20.274 1.00 0.00 H new ATOM 0 HB3 LYS A 236 2.425 38.042 20.539 1.00 0.00 H new ATOM 0 HG2 LYS A 236 0.983 40.077 20.279 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -0.416 39.045 20.056 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -0.003 38.010 22.313 1.00 0.00 H new ATOM 0 HD3 LYS A 236 1.381 39.061 22.536 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -0.105 41.065 22.324 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -1.490 40.015 22.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -1.311 40.757 24.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -1.095 39.075 24.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 0.246 40.093 24.507 1.00 0.00 H new ATOM 749 N TRP A 237 0.438 36.477 17.175 1.00 0.00 N ATOM 750 CA TRP A 237 -0.641 35.901 16.398 1.00 0.00 C ATOM 751 C TRP A 237 -0.906 34.484 16.900 1.00 0.00 C ATOM 752 O TRP A 237 0.017 33.724 17.193 1.00 0.00 O ATOM 753 CB TRP A 237 -0.229 35.886 14.924 1.00 0.00 C ATOM 754 CG TRP A 237 -1.100 35.092 14.002 1.00 0.00 C ATOM 755 CD1 TRP A 237 -2.170 35.531 13.315 1.00 0.00 C ATOM 756 CD2 TRP A 237 -0.969 33.689 13.651 1.00 0.00 C ATOM 757 NE1 TRP A 237 -2.726 34.492 12.589 1.00 0.00 N ATOM 758 CE2 TRP A 237 -2.014 33.317 12.757 1.00 0.00 C ATOM 759 CE3 TRP A 237 -0.037 32.703 14.006 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -2.136 32.004 12.262 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -0.158 31.394 13.521 1.00 0.00 C ATOM 762 CH2 TRP A 237 -1.208 31.030 12.683 1.00 0.00 C ATOM 0 H TRP A 237 1.198 35.812 17.321 1.00 0.00 H new ATOM 0 HA TRP A 237 -1.553 36.488 16.504 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -0.200 36.915 14.566 1.00 0.00 H new ATOM 0 HB3 TRP A 237 0.787 35.496 14.856 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -2.541 36.545 13.328 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -3.556 34.581 12.003 1.00 0.00 H new ATOM 0 HE3 TRP A 237 0.784 32.956 14.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -2.927 31.748 11.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 0.577 30.654 13.802 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -1.311 30.006 12.357 1.00 0.00 H new ATOM 773 N PHE A 238 -2.190 34.129 16.938 1.00 0.00 N ATOM 774 CA PHE A 238 -2.672 32.832 17.383 1.00 0.00 C ATOM 775 C PHE A 238 -3.523 32.218 16.278 1.00 0.00 C ATOM 776 O PHE A 238 -4.440 32.843 15.745 1.00 0.00 O ATOM 777 CB PHE A 238 -3.423 32.971 18.714 1.00 0.00 C ATOM 778 CG PHE A 238 -2.493 33.199 19.895 1.00 0.00 C ATOM 779 CD1 PHE A 238 -2.004 34.489 20.183 1.00 0.00 C ATOM 780 CD2 PHE A 238 -2.076 32.107 20.681 1.00 0.00 C ATOM 781 CE1 PHE A 238 -1.093 34.680 21.236 1.00 0.00 C ATOM 782 CE2 PHE A 238 -1.164 32.299 21.734 1.00 0.00 C ATOM 783 CZ PHE A 238 -0.668 33.585 22.009 1.00 0.00 C ATOM 0 H PHE A 238 -2.941 34.757 16.651 1.00 0.00 H new ATOM 0 HA PHE A 238 -1.838 32.157 17.574 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -4.125 33.802 18.645 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -4.011 32.070 18.890 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -2.330 35.333 19.593 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -2.458 31.118 20.474 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -0.719 35.670 21.452 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -0.845 31.458 22.332 1.00 0.00 H new ATOM 0 HZ PHE A 238 0.038 33.732 22.813 1.00 0.00 H new ATOM 793 N CYS A 239 -3.151 30.980 15.937 1.00 0.00 N ATOM 794 CA CYS A 239 -3.676 30.193 14.832 1.00 0.00 C ATOM 795 C CYS A 239 -5.186 29.918 14.944 1.00 0.00 C ATOM 796 O CYS A 239 -5.770 30.165 16.002 1.00 0.00 O ATOM 797 CB CYS A 239 -2.794 28.943 14.735 1.00 0.00 C ATOM 798 SG CYS A 239 -3.262 27.668 15.929 1.00 0.00 S ATOM 0 H CYS A 239 -2.433 30.477 16.459 1.00 0.00 H new ATOM 0 HA CYS A 239 -3.621 30.746 13.894 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -2.860 28.533 13.727 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -1.753 29.224 14.898 1.00 0.00 H new ATOM 0 HG CYS A 239 -2.919 26.500 15.473 1.00 0.00 H new ATOM 804 N PRO A 240 -5.850 29.424 13.877 1.00 0.00 N ATOM 805 CA PRO A 240 -7.302 29.328 13.863 1.00 0.00 C ATOM 806 C PRO A 240 -7.841 28.340 14.899 1.00 0.00 C ATOM 807 O PRO A 240 -8.913 28.579 15.443 1.00 0.00 O ATOM 808 CB PRO A 240 -7.707 28.946 12.437 1.00 0.00 C ATOM 809 CG PRO A 240 -6.446 28.310 11.861 1.00 0.00 C ATOM 810 CD PRO A 240 -5.309 29.021 12.588 1.00 0.00 C ATOM 0 HA PRO A 240 -7.741 30.285 14.145 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -8.545 28.249 12.432 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -8.014 29.819 11.861 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -6.424 27.235 12.040 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -6.383 28.455 10.783 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -4.452 28.360 12.714 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -4.964 29.886 12.022 1.00 0.00 H new ATOM 818 N ARG A 241 -7.078 27.288 15.227 1.00 0.00 N ATOM 819 CA ARG A 241 -7.445 26.284 16.219 1.00 0.00 C ATOM 820 C ARG A 241 -7.033 26.680 17.646 1.00 0.00 C ATOM 821 O ARG A 241 -7.063 25.844 18.548 1.00 0.00 O ATOM 822 CB ARG A 241 -6.924 24.902 15.790 1.00 0.00 C ATOM 823 CG ARG A 241 -7.424 24.559 14.375 1.00 0.00 C ATOM 824 CD ARG A 241 -7.455 23.051 14.103 1.00 0.00 C ATOM 825 NE ARG A 241 -7.890 22.755 12.726 1.00 0.00 N ATOM 826 CZ ARG A 241 -9.125 22.919 12.221 1.00 0.00 C ATOM 827 NH1 ARG A 241 -10.144 23.371 12.957 1.00 0.00 N ATOM 828 NH2 ARG A 241 -9.345 22.631 10.938 1.00 0.00 N ATOM 0 H ARG A 241 -6.170 27.113 14.797 1.00 0.00 H new ATOM 0 HA ARG A 241 -8.533 26.224 16.258 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -5.834 24.894 15.810 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -7.261 24.143 16.496 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -8.425 24.968 14.240 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -6.780 25.043 13.640 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -6.463 22.631 14.270 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -8.129 22.567 14.810 1.00 0.00 H new ATOM 0 HE ARG A 241 -7.181 22.388 12.091 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -9.999 23.605 13.939 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -11.067 23.482 12.537 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -8.581 22.291 10.353 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -10.277 22.751 10.541 1.00 0.00 H new ATOM 842 N CYS A 242 -6.669 27.956 17.848 1.00 0.00 N ATOM 843 CA CYS A 242 -6.240 28.534 19.106 1.00 0.00 C ATOM 844 C CYS A 242 -6.955 29.848 19.452 1.00 0.00 C ATOM 845 O CYS A 242 -6.863 30.287 20.597 1.00 0.00 O ATOM 846 CB CYS A 242 -4.740 28.803 18.996 1.00 0.00 C ATOM 847 SG CYS A 242 -3.786 27.289 19.286 1.00 0.00 S ATOM 0 H CYS A 242 -6.670 28.639 17.090 1.00 0.00 H new ATOM 0 HA CYS A 242 -6.485 27.830 19.901 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -4.509 29.199 18.007 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -4.449 29.565 19.720 1.00 0.00 H new ATOM 0 HG CYS A 242 -3.258 26.888 18.168 1.00 0.00 H new ATOM 853 N SER A 243 -7.651 30.473 18.491 1.00 0.00 N ATOM 854 CA SER A 243 -8.339 31.748 18.686 1.00 0.00 C ATOM 855 C SER A 243 -9.589 31.878 17.808 1.00 0.00 C ATOM 856 O SER A 243 -10.608 32.382 18.278 1.00 0.00 O ATOM 857 CB SER A 243 -7.350 32.882 18.384 1.00 0.00 C ATOM 858 OG SER A 243 -7.929 34.141 18.653 1.00 0.00 O ATOM 0 H SER A 243 -7.750 30.099 17.547 1.00 0.00 H new ATOM 0 HA SER A 243 -8.682 31.803 19.719 1.00 0.00 H new ATOM 0 HB2 SER A 243 -6.450 32.755 18.986 1.00 0.00 H new ATOM 0 HB3 SER A 243 -7.044 32.834 17.339 1.00 0.00 H new ATOM 0 HG SER A 243 -7.280 34.848 18.455 1.00 0.00 H new ATOM 864 N GLN A 244 -9.522 31.407 16.554 1.00 0.00 N ATOM 865 CA GLN A 244 -10.612 31.563 15.581 1.00 0.00 C ATOM 866 C GLN A 244 -11.723 30.505 15.741 1.00 0.00 C ATOM 867 O GLN A 244 -12.797 30.675 15.166 1.00 0.00 O ATOM 868 CB GLN A 244 -10.034 31.566 14.152 1.00 0.00 C ATOM 869 CG GLN A 244 -10.865 32.330 13.107 1.00 0.00 C ATOM 870 CD GLN A 244 -10.667 33.850 13.159 1.00 0.00 C ATOM 871 OE1 GLN A 244 -10.610 34.455 14.226 1.00 0.00 O ATOM 872 NE2 GLN A 244 -10.551 34.487 11.994 1.00 0.00 N ATOM 0 H GLN A 244 -8.712 30.908 16.187 1.00 0.00 H new ATOM 0 HA GLN A 244 -11.093 32.521 15.776 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -9.034 31.999 14.183 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -9.924 30.534 13.820 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -10.601 31.971 12.112 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -11.921 32.104 13.258 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -10.601 33.964 11.120 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -10.412 35.497 11.977 1.00 0.00 H new ATOM 881 N GLU A 245 -11.504 29.447 16.543 1.00 0.00 N ATOM 882 CA GLU A 245 -12.534 28.467 16.905 1.00 0.00 C ATOM 883 C GLU A 245 -13.619 29.057 17.831 1.00 0.00 C ATOM 884 O GLU A 245 -14.626 28.394 18.082 1.00 0.00 O ATOM 885 CB GLU A 245 -11.879 27.232 17.552 1.00 0.00 C ATOM 886 CG GLU A 245 -11.295 26.247 16.522 1.00 0.00 C ATOM 887 CD GLU A 245 -12.339 25.499 15.683 1.00 0.00 C ATOM 888 OE1 GLU A 245 -13.352 25.054 16.266 1.00 0.00 O ATOM 889 OE2 GLU A 245 -12.084 25.340 14.469 1.00 0.00 O ATOM 0 H GLU A 245 -10.595 29.250 16.961 1.00 0.00 H new ATOM 0 HA GLU A 245 -13.039 28.171 15.985 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -11.085 27.559 18.223 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -12.619 26.714 18.162 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -10.635 26.795 15.850 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -10.680 25.516 17.047 1.00 0.00 H new