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 -160:sc= -6.99! USER MOD Set 1.2: A 214 ASN : amide:sc= 0.374 K(o=-3.2,f=-7.3!) USER MOD Set 1.3: A 217 CYS SG : rot -170:sc= 1.69 USER MOD Set 1.4: A 239 CYS SG : rot 158:sc= 0.322 USER MOD Set 1.5: A 242 CYS SG : rot 108:sc= 1.45 USER MOD Set 2.1: A 206 TYR OH : rot -179:sc= 0.28 USER MOD Set 2.2: A 209 MET CE :methyl -155:sc= -0.508 (180deg=-2.52) USER MOD Set 3.1: A 203 GLN : amide:sc= -2.78 K(o=-4.8,f=-5.8!) USER MOD Set 3.2: A 223 HIS : no HD1:sc= -2.07 X(o=-4.8,f=-4.9) USER MOD Set 4.1: A 199 CYS SG : rot -153:sc= 0.406 USER MOD Set 4.2: A 201 CYS SG : rot 112:sc= 0.136 USER MOD Set 4.3: A 226 CYS SG : rot 138:sc= 0.726 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= -0.0585 X(o=-0.059,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 218 SER OG : rot -43:sc= 0.117 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+ 157:sc= 0.281 (180deg=0.104) 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= -0.0337 X(o=-0.034,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 134 N PRO A 196 9.239 17.365 4.827 1.00 0.00 N ATOM 135 CA PRO A 196 8.670 18.154 5.916 1.00 0.00 C ATOM 136 C PRO A 196 7.484 19.004 5.437 1.00 0.00 C ATOM 137 O PRO A 196 7.342 19.284 4.246 1.00 0.00 O ATOM 138 CB PRO A 196 9.820 19.025 6.430 1.00 0.00 C ATOM 139 CG PRO A 196 10.686 19.228 5.189 1.00 0.00 C ATOM 140 CD PRO A 196 10.540 17.901 4.446 1.00 0.00 C ATOM 0 HA PRO A 196 8.268 17.518 6.705 1.00 0.00 H new ATOM 0 HB2 PRO A 196 9.460 19.973 6.829 1.00 0.00 H new ATOM 0 HB3 PRO A 196 10.372 18.532 7.230 1.00 0.00 H new ATOM 0 HG2 PRO A 196 10.338 20.068 4.587 1.00 0.00 H new ATOM 0 HG3 PRO A 196 11.724 19.432 5.451 1.00 0.00 H new ATOM 0 HD2 PRO A 196 10.600 18.050 3.368 1.00 0.00 H new ATOM 0 HD3 PRO A 196 11.340 17.212 4.718 1.00 0.00 H new ATOM 148 N THR A 197 6.636 19.425 6.386 1.00 0.00 N ATOM 149 CA THR A 197 5.399 20.151 6.127 1.00 0.00 C ATOM 150 C THR A 197 5.130 21.179 7.236 1.00 0.00 C ATOM 151 O THR A 197 5.836 21.228 8.244 1.00 0.00 O ATOM 152 CB THR A 197 4.208 19.175 5.991 1.00 0.00 C ATOM 153 OG1 THR A 197 4.001 18.454 7.188 1.00 0.00 O ATOM 154 CG2 THR A 197 4.354 18.175 4.837 1.00 0.00 C ATOM 0 H THR A 197 6.802 19.262 7.379 1.00 0.00 H new ATOM 0 HA THR A 197 5.512 20.686 5.184 1.00 0.00 H new ATOM 0 HB THR A 197 3.349 19.809 5.772 1.00 0.00 H new ATOM 0 HG1 THR A 197 3.241 17.845 7.076 1.00 0.00 H new ATOM 0 HG21 THR A 197 3.480 17.525 4.806 1.00 0.00 H new ATOM 0 HG22 THR A 197 4.437 18.716 3.895 1.00 0.00 H new ATOM 0 HG23 THR A 197 5.249 17.572 4.989 1.00 0.00 H new ATOM 162 N TYR A 198 4.087 21.994 7.027 1.00 0.00 N ATOM 163 CA TYR A 198 3.776 23.168 7.843 1.00 0.00 C ATOM 164 C TYR A 198 2.280 23.283 8.163 1.00 0.00 C ATOM 165 O TYR A 198 1.901 22.853 9.247 1.00 0.00 O ATOM 166 CB TYR A 198 4.320 24.414 7.142 1.00 0.00 C ATOM 167 CG TYR A 198 5.833 24.438 6.994 1.00 0.00 C ATOM 168 CD1 TYR A 198 6.638 24.875 8.064 1.00 0.00 C ATOM 169 CD2 TYR A 198 6.434 24.001 5.797 1.00 0.00 C ATOM 170 CE1 TYR A 198 8.038 24.881 7.942 1.00 0.00 C ATOM 171 CE2 TYR A 198 7.834 23.992 5.671 1.00 0.00 C ATOM 172 CZ TYR A 198 8.641 24.437 6.743 1.00 0.00 C ATOM 173 OH TYR A 198 9.999 24.432 6.618 1.00 0.00 O ATOM 0 H TYR A 198 3.422 21.849 6.267 1.00 0.00 H new ATOM 0 HA TYR A 198 4.264 23.063 8.812 1.00 0.00 H new ATOM 0 HB2 TYR A 198 3.869 24.486 6.152 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.007 25.296 7.700 1.00 0.00 H new ATOM 0 HD1 TYR A 198 6.177 25.207 8.983 1.00 0.00 H new ATOM 0 HD2 TYR A 198 5.817 23.672 4.974 1.00 0.00 H new ATOM 0 HE1 TYR A 198 8.652 25.224 8.762 1.00 0.00 H new ATOM 0 HE2 TYR A 198 8.292 23.646 4.757 1.00 0.00 H new ATOM 0 HH TYR A 198 10.245 24.096 5.731 1.00 0.00 H new ATOM 183 N CYS A 199 1.444 23.848 7.265 1.00 0.00 N ATOM 184 CA CYS A 199 0.010 24.076 7.477 1.00 0.00 C ATOM 185 C CYS A 199 -0.759 22.805 7.847 1.00 0.00 C ATOM 186 O CYS A 199 -0.265 21.691 7.681 1.00 0.00 O ATOM 187 CB CYS A 199 -0.665 24.852 6.315 1.00 0.00 C ATOM 188 SG CYS A 199 -2.078 25.804 6.965 1.00 0.00 S ATOM 0 H CYS A 199 1.763 24.165 6.349 1.00 0.00 H new ATOM 0 HA CYS A 199 -0.044 24.726 8.350 1.00 0.00 H new ATOM 0 HB2 CYS A 199 0.054 25.522 5.844 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -1.003 24.157 5.546 1.00 0.00 H new ATOM 0 HG CYS A 199 -2.956 25.975 6.022 1.00 0.00 H new ATOM 193 N LEU A 200 -2.009 22.999 8.288 1.00 0.00 N ATOM 194 CA LEU A 200 -2.998 21.939 8.512 1.00 0.00 C ATOM 195 C LEU A 200 -3.275 21.099 7.254 1.00 0.00 C ATOM 196 O LEU A 200 -3.884 20.034 7.337 1.00 0.00 O ATOM 197 CB LEU A 200 -4.279 22.547 9.116 1.00 0.00 C ATOM 198 CG LEU A 200 -5.077 23.428 8.131 1.00 0.00 C ATOM 199 CD1 LEU A 200 -6.209 22.660 7.428 1.00 0.00 C ATOM 200 CD2 LEU A 200 -5.690 24.639 8.847 1.00 0.00 C ATOM 0 H LEU A 200 -2.370 23.928 8.505 1.00 0.00 H new ATOM 0 HA LEU A 200 -2.581 21.232 9.229 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -4.921 21.740 9.469 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -4.010 23.145 9.987 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.359 23.754 7.379 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -6.735 23.330 6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -5.788 21.827 6.864 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -6.907 22.278 8.173 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.246 25.242 8.130 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -6.364 24.295 9.632 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -4.896 25.241 9.289 1.00 0.00 H new ATOM 212 N CYS A 201 -2.806 21.591 6.102 1.00 0.00 N ATOM 213 CA CYS A 201 -2.873 20.952 4.800 1.00 0.00 C ATOM 214 C CYS A 201 -1.836 19.835 4.620 1.00 0.00 C ATOM 215 O CYS A 201 -1.991 19.004 3.728 1.00 0.00 O ATOM 216 CB CYS A 201 -2.540 22.031 3.780 1.00 0.00 C ATOM 217 SG CYS A 201 -3.746 23.383 3.776 1.00 0.00 S ATOM 0 H CYS A 201 -2.344 22.499 6.060 1.00 0.00 H new ATOM 0 HA CYS A 201 -3.862 20.509 4.685 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -1.550 22.433 3.993 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -2.496 21.585 2.786 1.00 0.00 H new ATOM 0 HG CYS A 201 -3.187 24.465 4.231 1.00 0.00 H new ATOM 223 N HIS A 202 -0.779 19.852 5.442 1.00 0.00 N ATOM 224 CA HIS A 202 0.403 19.005 5.363 1.00 0.00 C ATOM 225 C HIS A 202 1.111 19.149 4.008 1.00 0.00 C ATOM 226 O HIS A 202 1.195 18.196 3.233 1.00 0.00 O ATOM 227 CB HIS A 202 0.088 17.554 5.775 1.00 0.00 C ATOM 228 CG HIS A 202 -0.586 17.395 7.121 1.00 0.00 C ATOM 229 ND1 HIS A 202 -1.341 16.314 7.517 1.00 0.00 N ATOM 230 CD2 HIS A 202 -0.568 18.272 8.175 1.00 0.00 C ATOM 231 CE1 HIS A 202 -1.765 16.545 8.771 1.00 0.00 C ATOM 232 NE2 HIS A 202 -1.322 17.730 9.219 1.00 0.00 N ATOM 0 H HIS A 202 -0.730 20.501 6.227 1.00 0.00 H new ATOM 0 HA HIS A 202 1.130 19.354 6.097 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -0.551 17.108 5.013 1.00 0.00 H new ATOM 0 HB3 HIS A 202 1.018 16.986 5.784 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -0.056 19.223 8.195 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -2.381 15.867 9.343 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -1.499 18.148 10.132 1.00 0.00 H new ATOM 240 N GLN A 203 1.619 20.363 3.739 1.00 0.00 N ATOM 241 CA GLN A 203 2.407 20.699 2.559 1.00 0.00 C ATOM 242 C GLN A 203 3.730 21.392 2.914 1.00 0.00 C ATOM 243 O GLN A 203 3.868 21.978 3.989 1.00 0.00 O ATOM 244 CB GLN A 203 1.554 21.489 1.543 1.00 0.00 C ATOM 245 CG GLN A 203 1.489 23.020 1.713 1.00 0.00 C ATOM 246 CD GLN A 203 0.768 23.512 2.964 1.00 0.00 C ATOM 247 OE1 GLN A 203 -0.346 24.026 2.886 1.00 0.00 O ATOM 248 NE2 GLN A 203 1.404 23.439 4.129 1.00 0.00 N ATOM 0 H GLN A 203 1.483 21.159 4.363 1.00 0.00 H new ATOM 0 HA GLN A 203 2.700 19.768 2.073 1.00 0.00 H new ATOM 0 HB2 GLN A 203 1.936 21.276 0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 203 0.536 21.102 1.584 1.00 0.00 H new ATOM 0 HG2 GLN A 203 2.507 23.410 1.724 1.00 0.00 H new ATOM 0 HG3 GLN A 203 0.994 23.444 0.839 1.00 0.00 H new ATOM 0 HE21 GLN A 203 2.328 23.010 4.180 1.00 0.00 H new ATOM 0 HE22 GLN A 203 0.968 23.812 4.972 1.00 0.00 H new ATOM 257 N VAL A 204 4.690 21.324 1.982 1.00 0.00 N ATOM 258 CA VAL A 204 6.051 21.862 2.093 1.00 0.00 C ATOM 259 C VAL A 204 6.039 23.408 2.122 1.00 0.00 C ATOM 260 O VAL A 204 4.980 24.037 2.082 1.00 0.00 O ATOM 261 CB VAL A 204 6.952 21.306 0.946 1.00 0.00 C ATOM 262 CG1 VAL A 204 8.428 21.167 1.371 1.00 0.00 C ATOM 263 CG2 VAL A 204 6.524 19.919 0.420 1.00 0.00 C ATOM 0 H VAL A 204 4.529 20.868 1.084 1.00 0.00 H new ATOM 0 HA VAL A 204 6.479 21.531 3.039 1.00 0.00 H new ATOM 0 HB VAL A 204 6.831 22.050 0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 204 9.011 20.776 0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 204 8.817 22.143 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 204 8.500 20.483 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 204 7.202 19.606 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 204 6.560 19.194 1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 204 5.508 19.976 0.029 1.00 0.00 H new ATOM 273 N SER A 205 7.234 24.008 2.203 1.00 0.00 N ATOM 274 CA SER A 205 7.511 25.445 2.229 1.00 0.00 C ATOM 275 C SER A 205 6.743 26.245 1.165 1.00 0.00 C ATOM 276 O SER A 205 6.416 25.746 0.088 1.00 0.00 O ATOM 277 CB SER A 205 9.024 25.680 2.130 1.00 0.00 C ATOM 278 OG SER A 205 9.546 25.182 0.915 1.00 0.00 O ATOM 0 H SER A 205 8.092 23.460 2.256 1.00 0.00 H new ATOM 0 HA SER A 205 7.145 25.824 3.183 1.00 0.00 H new ATOM 0 HB2 SER A 205 9.234 26.747 2.207 1.00 0.00 H new ATOM 0 HB3 SER A 205 9.524 25.195 2.968 1.00 0.00 H new ATOM 0 HG SER A 205 10.511 25.348 0.881 1.00 0.00 H new ATOM 284 N TYR A 206 6.457 27.508 1.507 1.00 0.00 N ATOM 285 CA TYR A 206 5.527 28.381 0.796 1.00 0.00 C ATOM 286 C TYR A 206 5.860 29.862 1.036 1.00 0.00 C ATOM 287 O TYR A 206 6.613 30.204 1.949 1.00 0.00 O ATOM 288 CB TYR A 206 4.096 28.051 1.262 1.00 0.00 C ATOM 289 CG TYR A 206 3.865 28.144 2.764 1.00 0.00 C ATOM 290 CD1 TYR A 206 4.341 27.129 3.620 1.00 0.00 C ATOM 291 CD2 TYR A 206 3.172 29.239 3.312 1.00 0.00 C ATOM 292 CE1 TYR A 206 4.177 27.228 5.008 1.00 0.00 C ATOM 293 CE2 TYR A 206 2.940 29.296 4.698 1.00 0.00 C ATOM 294 CZ TYR A 206 3.452 28.302 5.553 1.00 0.00 C ATOM 295 OH TYR A 206 3.241 28.381 6.893 1.00 0.00 O ATOM 0 H TYR A 206 6.884 27.961 2.315 1.00 0.00 H new ATOM 0 HA TYR A 206 5.612 28.209 -0.277 1.00 0.00 H new ATOM 0 HB2 TYR A 206 3.403 28.727 0.762 1.00 0.00 H new ATOM 0 HB3 TYR A 206 3.848 27.041 0.934 1.00 0.00 H new ATOM 0 HD1 TYR A 206 4.837 26.266 3.201 1.00 0.00 H new ATOM 0 HD2 TYR A 206 2.819 30.033 2.671 1.00 0.00 H new ATOM 0 HE1 TYR A 206 4.607 26.480 5.658 1.00 0.00 H new ATOM 0 HE2 TYR A 206 2.363 30.111 5.110 1.00 0.00 H new ATOM 0 HH TYR A 206 2.709 29.179 7.094 1.00 0.00 H new ATOM 305 N GLY A 207 5.283 30.736 0.197 1.00 0.00 N ATOM 306 CA GLY A 207 5.642 32.148 0.109 1.00 0.00 C ATOM 307 C GLY A 207 5.154 33.009 1.277 1.00 0.00 C ATOM 308 O GLY A 207 5.961 33.741 1.848 1.00 0.00 O ATOM 0 H GLY A 207 4.540 30.470 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 207 6.727 32.229 0.045 1.00 0.00 H new ATOM 0 HA3 GLY A 207 5.237 32.554 -0.818 1.00 0.00 H new ATOM 312 N GLU A 208 3.866 32.917 1.646 1.00 0.00 N ATOM 313 CA GLU A 208 3.238 33.815 2.608 1.00 0.00 C ATOM 314 C GLU A 208 2.770 33.035 3.837 1.00 0.00 C ATOM 315 O GLU A 208 1.970 32.108 3.728 1.00 0.00 O ATOM 316 CB GLU A 208 2.137 34.606 1.895 1.00 0.00 C ATOM 317 CG GLU A 208 0.880 33.821 1.466 1.00 0.00 C ATOM 318 CD GLU A 208 -0.170 34.673 0.743 1.00 0.00 C ATOM 319 OE1 GLU A 208 0.198 35.733 0.189 1.00 0.00 O ATOM 320 OE2 GLU A 208 -1.343 34.240 0.758 1.00 0.00 O ATOM 0 H GLU A 208 3.232 32.208 1.277 1.00 0.00 H new ATOM 0 HA GLU A 208 3.950 34.545 2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 208 1.823 35.417 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 208 2.570 35.065 1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 208 1.181 33.002 0.813 1.00 0.00 H new ATOM 0 HG3 GLU A 208 0.424 33.373 2.349 1.00 0.00 H new ATOM 327 N MET A 209 3.285 33.422 5.012 1.00 0.00 N ATOM 328 CA MET A 209 3.176 32.612 6.225 1.00 0.00 C ATOM 329 C MET A 209 2.908 33.424 7.489 1.00 0.00 C ATOM 330 O MET A 209 3.439 34.522 7.669 1.00 0.00 O ATOM 331 CB MET A 209 4.501 31.849 6.496 1.00 0.00 C ATOM 332 CG MET A 209 5.430 31.462 5.334 1.00 0.00 C ATOM 333 SD MET A 209 7.037 30.808 5.886 1.00 0.00 S ATOM 334 CE MET A 209 6.598 29.211 6.635 1.00 0.00 C ATOM 0 H MET A 209 3.785 34.301 5.144 1.00 0.00 H new ATOM 0 HA MET A 209 2.335 31.947 6.031 1.00 0.00 H new ATOM 0 HB2 MET A 209 5.086 32.456 7.187 1.00 0.00 H new ATOM 0 HB3 MET A 209 4.241 30.929 7.020 1.00 0.00 H new ATOM 0 HG2 MET A 209 4.934 30.714 4.715 1.00 0.00 H new ATOM 0 HG3 MET A 209 5.598 32.336 4.705 1.00 0.00 H new ATOM 0 HE1 MET A 209 7.354 28.934 7.370 1.00 0.00 H new ATOM 0 HE2 MET A 209 5.628 29.294 7.126 1.00 0.00 H new ATOM 0 HE3 MET A 209 6.548 28.447 5.859 1.00 0.00 H new ATOM 344 N ILE A 210 2.183 32.778 8.409 1.00 0.00 N ATOM 345 CA ILE A 210 1.983 33.210 9.791 1.00 0.00 C ATOM 346 C ILE A 210 2.115 31.999 10.726 1.00 0.00 C ATOM 347 O ILE A 210 1.928 30.861 10.302 1.00 0.00 O ATOM 348 CB ILE A 210 0.634 33.949 9.932 1.00 0.00 C ATOM 349 CG1 ILE A 210 0.541 34.685 11.284 1.00 0.00 C ATOM 350 CG2 ILE A 210 -0.575 33.027 9.675 1.00 0.00 C ATOM 351 CD1 ILE A 210 -0.496 35.811 11.274 1.00 0.00 C ATOM 0 H ILE A 210 1.701 31.904 8.199 1.00 0.00 H new ATOM 0 HA ILE A 210 2.752 33.926 10.081 1.00 0.00 H new ATOM 0 HB ILE A 210 0.597 34.707 9.149 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.287 33.969 12.066 1.00 0.00 H new ATOM 0 HG13 ILE A 210 1.518 35.098 11.536 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -1.497 33.597 9.787 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -0.517 32.625 8.664 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.566 32.207 10.393 1.00 0.00 H new ATOM 0 HD11 ILE A 210 -0.518 36.294 12.251 1.00 0.00 H new ATOM 0 HD12 ILE A 210 -0.230 36.544 10.513 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -1.480 35.398 11.051 1.00 0.00 H new ATOM 363 N GLY A 211 2.441 32.255 11.997 1.00 0.00 N ATOM 364 CA GLY A 211 2.780 31.236 12.984 1.00 0.00 C ATOM 365 C GLY A 211 2.065 31.456 14.318 1.00 0.00 C ATOM 366 O GLY A 211 1.930 32.586 14.785 1.00 0.00 O ATOM 0 H GLY A 211 2.476 33.202 12.373 1.00 0.00 H new ATOM 0 HA2 GLY A 211 2.518 30.253 12.592 1.00 0.00 H new ATOM 0 HA3 GLY A 211 3.858 31.237 13.148 1.00 0.00 H new ATOM 370 N CYS A 212 1.602 30.344 14.902 1.00 0.00 N ATOM 371 CA CYS A 212 0.671 30.309 16.035 1.00 0.00 C ATOM 372 C CYS A 212 1.373 30.567 17.369 1.00 0.00 C ATOM 373 O CYS A 212 2.327 29.878 17.723 1.00 0.00 O ATOM 374 CB CYS A 212 -0.141 28.995 16.026 1.00 0.00 C ATOM 375 SG CYS A 212 -0.383 28.276 14.423 1.00 0.00 S ATOM 0 H CYS A 212 1.875 29.413 14.588 1.00 0.00 H new ATOM 0 HA CYS A 212 -0.037 31.129 15.918 1.00 0.00 H new ATOM 0 HB2 CYS A 212 0.365 28.268 16.661 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -1.116 29.185 16.474 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.394 27.459 14.462 1.00 0.00 H new ATOM 380 N ASP A 213 0.853 31.559 18.107 1.00 0.00 N ATOM 381 CA ASP A 213 1.378 32.072 19.374 1.00 0.00 C ATOM 382 C ASP A 213 1.239 31.087 20.552 1.00 0.00 C ATOM 383 O ASP A 213 1.718 31.373 21.650 1.00 0.00 O ATOM 384 CB ASP A 213 0.653 33.397 19.669 1.00 0.00 C ATOM 385 CG ASP A 213 1.216 34.161 20.869 1.00 0.00 C ATOM 386 OD1 ASP A 213 2.313 34.739 20.710 1.00 0.00 O ATOM 387 OD2 ASP A 213 0.523 34.190 21.911 1.00 0.00 O ATOM 0 H ASP A 213 0.007 32.050 17.816 1.00 0.00 H new ATOM 0 HA ASP A 213 2.452 32.222 19.268 1.00 0.00 H new ATOM 0 HB2 ASP A 213 0.709 34.034 18.787 1.00 0.00 H new ATOM 0 HB3 ASP A 213 -0.402 33.190 19.846 1.00 0.00 H new ATOM 392 N ASN A 214 0.582 29.936 20.346 1.00 0.00 N ATOM 393 CA ASN A 214 0.266 28.992 21.408 1.00 0.00 C ATOM 394 C ASN A 214 1.540 28.357 21.992 1.00 0.00 C ATOM 395 O ASN A 214 2.453 28.034 21.229 1.00 0.00 O ATOM 396 CB ASN A 214 -0.539 27.803 20.866 1.00 0.00 C ATOM 397 CG ASN A 214 -1.811 28.068 20.071 1.00 0.00 C ATOM 398 OD1 ASN A 214 -1.846 28.828 19.104 1.00 0.00 O ATOM 399 ND2 ASN A 214 -2.841 27.285 20.371 1.00 0.00 N ATOM 0 H ASN A 214 0.256 29.639 19.426 1.00 0.00 H new ATOM 0 HA ASN A 214 -0.286 29.564 22.154 1.00 0.00 H new ATOM 0 HB2 ASN A 214 0.127 27.217 20.233 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -0.808 27.174 21.715 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -3.683 27.306 19.795 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -2.790 26.662 21.177 1.00 0.00 H new ATOM 406 N PRO A 215 1.569 28.061 23.304 1.00 0.00 N ATOM 407 CA PRO A 215 2.580 27.196 23.903 1.00 0.00 C ATOM 408 C PRO A 215 2.216 25.701 23.709 1.00 0.00 C ATOM 409 O PRO A 215 2.868 24.844 24.303 1.00 0.00 O ATOM 410 CB PRO A 215 2.600 27.606 25.379 1.00 0.00 C ATOM 411 CG PRO A 215 1.146 27.982 25.658 1.00 0.00 C ATOM 412 CD PRO A 215 0.656 28.555 24.326 1.00 0.00 C ATOM 0 HA PRO A 215 3.562 27.307 23.444 1.00 0.00 H new ATOM 0 HB2 PRO A 215 2.934 26.789 26.019 1.00 0.00 H new ATOM 0 HB3 PRO A 215 3.273 28.445 25.555 1.00 0.00 H new ATOM 0 HG2 PRO A 215 0.559 27.115 25.961 1.00 0.00 H new ATOM 0 HG3 PRO A 215 1.069 28.715 26.461 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -0.366 28.238 24.120 1.00 0.00 H new ATOM 0 HD3 PRO A 215 0.653 29.645 24.350 1.00 0.00 H new ATOM 420 N ASP A 216 1.186 25.391 22.893 1.00 0.00 N ATOM 421 CA ASP A 216 0.569 24.066 22.769 1.00 0.00 C ATOM 422 C ASP A 216 0.324 23.613 21.319 1.00 0.00 C ATOM 423 O ASP A 216 0.054 22.432 21.100 1.00 0.00 O ATOM 424 CB ASP A 216 -0.793 24.060 23.490 1.00 0.00 C ATOM 425 CG ASP A 216 -0.779 24.692 24.882 1.00 0.00 C ATOM 426 OD1 ASP A 216 -0.119 24.116 25.774 1.00 0.00 O ATOM 427 OD2 ASP A 216 -1.442 25.744 25.026 1.00 0.00 O ATOM 0 H ASP A 216 0.751 26.084 22.284 1.00 0.00 H new ATOM 0 HA ASP A 216 1.282 23.373 23.216 1.00 0.00 H new ATOM 0 HB2 ASP A 216 -1.519 24.589 22.872 1.00 0.00 H new ATOM 0 HB3 ASP A 216 -1.139 23.030 23.576 1.00 0.00 H new ATOM 432 N CYS A 217 0.377 24.530 20.340 1.00 0.00 N ATOM 433 CA CYS A 217 0.080 24.245 18.943 1.00 0.00 C ATOM 434 C CYS A 217 1.105 23.273 18.363 1.00 0.00 C ATOM 435 O CYS A 217 2.311 23.413 18.566 1.00 0.00 O ATOM 436 CB CYS A 217 -0.032 25.540 18.129 1.00 0.00 C ATOM 437 SG CYS A 217 -0.647 25.214 16.456 1.00 0.00 S ATOM 0 H CYS A 217 0.632 25.503 20.508 1.00 0.00 H new ATOM 0 HA CYS A 217 -0.892 23.756 18.884 1.00 0.00 H new ATOM 0 HB2 CYS A 217 -0.702 26.234 18.636 1.00 0.00 H new ATOM 0 HB3 CYS A 217 0.944 26.022 18.073 1.00 0.00 H new ATOM 0 HG CYS A 217 -0.535 26.290 15.735 1.00 0.00 H new ATOM 443 N SER A 218 0.571 22.304 17.618 1.00 0.00 N ATOM 444 CA SER A 218 1.297 21.173 17.039 1.00 0.00 C ATOM 445 C SER A 218 1.330 21.260 15.502 1.00 0.00 C ATOM 446 O SER A 218 1.671 20.289 14.827 1.00 0.00 O ATOM 447 CB SER A 218 0.661 19.875 17.560 1.00 0.00 C ATOM 448 OG SER A 218 1.513 18.766 17.357 1.00 0.00 O ATOM 0 H SER A 218 -0.423 22.285 17.392 1.00 0.00 H new ATOM 0 HA SER A 218 2.342 21.191 17.349 1.00 0.00 H new ATOM 0 HB2 SER A 218 0.441 19.977 18.623 1.00 0.00 H new ATOM 0 HB3 SER A 218 -0.288 19.704 17.053 1.00 0.00 H new ATOM 0 HG SER A 218 1.903 18.813 16.459 1.00 0.00 H new ATOM 454 N ILE A 219 0.992 22.439 14.956 1.00 0.00 N ATOM 455 CA ILE A 219 1.077 22.768 13.536 1.00 0.00 C ATOM 456 C ILE A 219 1.967 24.013 13.370 1.00 0.00 C ATOM 457 O ILE A 219 2.841 24.000 12.506 1.00 0.00 O ATOM 458 CB ILE A 219 -0.343 22.926 12.933 1.00 0.00 C ATOM 459 CG1 ILE A 219 -1.199 21.656 13.161 1.00 0.00 C ATOM 460 CG2 ILE A 219 -0.273 23.255 11.428 1.00 0.00 C ATOM 461 CD1 ILE A 219 -2.612 21.738 12.572 1.00 0.00 C ATOM 0 H ILE A 219 0.640 23.214 15.518 1.00 0.00 H new ATOM 0 HA ILE A 219 1.544 21.959 12.974 1.00 0.00 H new ATOM 0 HB ILE A 219 -0.822 23.758 13.449 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -0.684 20.801 12.724 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -1.274 21.469 14.232 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -1.283 23.360 11.031 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.272 24.188 11.284 1.00 0.00 H new ATOM 0 HG23 ILE A 219 0.241 22.450 10.903 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -3.145 20.809 12.775 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -3.148 22.571 13.027 1.00 0.00 H new ATOM 0 HD13 ILE A 219 -2.549 21.892 11.495 1.00 0.00 H new ATOM 473 N GLU A 220 1.787 25.014 14.256 1.00 0.00 N ATOM 474 CA GLU A 220 2.551 26.252 14.499 1.00 0.00 C ATOM 475 C GLU A 220 2.961 27.144 13.303 1.00 0.00 C ATOM 476 O GLU A 220 3.425 28.254 13.549 1.00 0.00 O ATOM 477 CB GLU A 220 3.751 25.964 15.421 1.00 0.00 C ATOM 478 CG GLU A 220 4.868 25.142 14.757 1.00 0.00 C ATOM 479 CD GLU A 220 6.150 25.168 15.589 1.00 0.00 C ATOM 480 OE1 GLU A 220 6.184 24.446 16.609 1.00 0.00 O ATOM 481 OE2 GLU A 220 7.075 25.912 15.191 1.00 0.00 O ATOM 0 H GLU A 220 0.999 24.964 14.901 1.00 0.00 H new ATOM 0 HA GLU A 220 1.807 26.888 14.979 1.00 0.00 H new ATOM 0 HB2 GLU A 220 4.167 26.911 15.765 1.00 0.00 H new ATOM 0 HB3 GLU A 220 3.398 25.431 16.304 1.00 0.00 H new ATOM 0 HG2 GLU A 220 4.536 24.112 14.629 1.00 0.00 H new ATOM 0 HG3 GLU A 220 5.070 25.538 13.762 1.00 0.00 H new ATOM 488 N TRP A 221 2.762 26.728 12.046 1.00 0.00 N ATOM 489 CA TRP A 221 2.917 27.521 10.840 1.00 0.00 C ATOM 490 C TRP A 221 1.782 27.201 9.880 1.00 0.00 C ATOM 491 O TRP A 221 1.432 26.042 9.672 1.00 0.00 O ATOM 492 CB TRP A 221 4.204 27.150 10.130 1.00 0.00 C ATOM 493 CG TRP A 221 5.451 27.769 10.638 1.00 0.00 C ATOM 494 CD1 TRP A 221 6.434 27.134 11.308 1.00 0.00 C ATOM 495 CD2 TRP A 221 5.898 29.142 10.456 1.00 0.00 C ATOM 496 NE1 TRP A 221 7.477 28.005 11.514 1.00 0.00 N ATOM 497 CE2 TRP A 221 7.227 29.243 10.954 1.00 0.00 C ATOM 498 CE3 TRP A 221 5.328 30.302 9.884 1.00 0.00 C ATOM 499 CZ2 TRP A 221 7.979 30.415 10.814 1.00 0.00 C ATOM 500 CZ3 TRP A 221 6.056 31.502 9.800 1.00 0.00 C ATOM 501 CH2 TRP A 221 7.388 31.555 10.243 1.00 0.00 C ATOM 0 H TRP A 221 2.472 25.772 11.842 1.00 0.00 H new ATOM 0 HA TRP A 221 2.921 28.574 11.123 1.00 0.00 H new ATOM 0 HB2 TRP A 221 4.318 26.067 10.178 1.00 0.00 H new ATOM 0 HB3 TRP A 221 4.099 27.413 9.077 1.00 0.00 H new ATOM 0 HD1 TRP A 221 6.406 26.104 11.632 1.00 0.00 H new ATOM 0 HE1 TRP A 221 8.331 27.767 12.018 1.00 0.00 H new ATOM 0 HE3 TRP A 221 4.317 30.266 9.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 9.007 30.443 11.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 5.589 32.387 9.393 1.00 0.00 H new ATOM 0 HH2 TRP A 221 7.956 32.468 10.145 1.00 0.00 H new ATOM 512 N PHE A 222 1.213 28.265 9.316 1.00 0.00 N ATOM 513 CA PHE A 222 -0.019 28.249 8.535 1.00 0.00 C ATOM 514 C PHE A 222 0.116 29.224 7.372 1.00 0.00 C ATOM 515 O PHE A 222 0.895 30.178 7.423 1.00 0.00 O ATOM 516 CB PHE A 222 -1.240 28.653 9.394 1.00 0.00 C ATOM 517 CG PHE A 222 -1.704 27.640 10.430 1.00 0.00 C ATOM 518 CD1 PHE A 222 -0.828 27.245 11.450 1.00 0.00 C ATOM 519 CD2 PHE A 222 -3.020 27.128 10.432 1.00 0.00 C ATOM 520 CE1 PHE A 222 -1.204 26.291 12.391 1.00 0.00 C ATOM 521 CE2 PHE A 222 -3.442 26.275 11.475 1.00 0.00 C ATOM 522 CZ PHE A 222 -2.529 25.886 12.472 1.00 0.00 C ATOM 0 H PHE A 222 1.615 29.199 9.395 1.00 0.00 H new ATOM 0 HA PHE A 222 -0.179 27.234 8.171 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -1.002 29.584 9.909 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -2.074 28.863 8.724 1.00 0.00 H new ATOM 0 HD1 PHE A 222 0.155 27.688 11.507 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -3.703 27.389 9.637 1.00 0.00 H new ATOM 0 HE1 PHE A 222 -0.467 25.867 13.056 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -4.462 25.922 11.507 1.00 0.00 H new ATOM 0 HZ PHE A 222 -2.858 25.274 13.298 1.00 0.00 H new ATOM 532 N HIS A 223 -0.685 28.990 6.329 1.00 0.00 N ATOM 533 CA HIS A 223 -0.837 29.940 5.239 1.00 0.00 C ATOM 534 C HIS A 223 -1.744 31.072 5.696 1.00 0.00 C ATOM 535 O HIS A 223 -2.671 30.865 6.482 1.00 0.00 O ATOM 536 CB HIS A 223 -1.420 29.269 3.980 1.00 0.00 C ATOM 537 CG HIS A 223 -0.618 28.145 3.361 1.00 0.00 C ATOM 538 ND1 HIS A 223 -0.839 27.625 2.084 1.00 0.00 N ATOM 539 CD2 HIS A 223 0.480 27.528 3.888 1.00 0.00 C ATOM 540 CE1 HIS A 223 0.192 26.807 1.831 1.00 0.00 C ATOM 541 NE2 HIS A 223 0.986 26.708 2.910 1.00 0.00 N ATOM 0 H HIS A 223 -1.240 28.141 6.222 1.00 0.00 H new ATOM 0 HA HIS A 223 0.146 30.329 4.975 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -2.407 28.881 4.230 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -1.563 30.039 3.222 1.00 0.00 H new ATOM 0 HD2 HIS A 223 0.875 27.660 4.884 1.00 0.00 H new ATOM 0 HE1 HIS A 223 0.361 26.299 0.893 1.00 0.00 H new ATOM 0 HE2 HIS A 223 1.819 26.125 2.989 1.00 0.00 H new ATOM 549 N PHE A 224 -1.483 32.262 5.150 1.00 0.00 N ATOM 550 CA PHE A 224 -2.408 33.387 5.264 1.00 0.00 C ATOM 551 C PHE A 224 -3.801 32.959 4.823 1.00 0.00 C ATOM 552 O PHE A 224 -4.752 33.101 5.580 1.00 0.00 O ATOM 553 CB PHE A 224 -1.942 34.575 4.405 1.00 0.00 C ATOM 554 CG PHE A 224 -0.759 35.394 4.879 1.00 0.00 C ATOM 555 CD1 PHE A 224 -0.204 35.253 6.168 1.00 0.00 C ATOM 556 CD2 PHE A 224 -0.207 36.331 3.985 1.00 0.00 C ATOM 557 CE1 PHE A 224 0.949 35.974 6.509 1.00 0.00 C ATOM 558 CE2 PHE A 224 0.961 37.032 4.324 1.00 0.00 C ATOM 559 CZ PHE A 224 1.571 36.801 5.564 1.00 0.00 C ATOM 0 H PHE A 224 -0.635 32.470 4.623 1.00 0.00 H new ATOM 0 HA PHE A 224 -2.432 33.701 6.307 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -1.703 34.192 3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -2.788 35.252 4.290 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -0.665 34.593 6.888 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -0.685 36.511 3.033 1.00 0.00 H new ATOM 0 HE1 PHE A 224 1.360 35.892 7.504 1.00 0.00 H new ATOM 0 HE2 PHE A 224 1.387 37.745 3.633 1.00 0.00 H new ATOM 0 HZ PHE A 224 2.521 37.261 5.792 1.00 0.00 H new ATOM 569 N ALA A 225 -3.910 32.363 3.639 1.00 0.00 N ATOM 570 CA ALA A 225 -5.178 31.953 3.069 1.00 0.00 C ATOM 571 C ALA A 225 -5.816 30.758 3.795 1.00 0.00 C ATOM 572 O ALA A 225 -7.008 30.525 3.597 1.00 0.00 O ATOM 573 CB ALA A 225 -4.979 31.650 1.581 1.00 0.00 C ATOM 0 H ALA A 225 -3.108 32.151 3.046 1.00 0.00 H new ATOM 0 HA ALA A 225 -5.880 32.777 3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -5.928 31.340 1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.619 32.544 1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -4.248 30.849 1.467 1.00 0.00 H new ATOM 579 N CYS A 226 -5.079 30.026 4.653 1.00 0.00 N ATOM 580 CA CYS A 226 -5.634 28.977 5.482 1.00 0.00 C ATOM 581 C CYS A 226 -6.350 29.521 6.731 1.00 0.00 C ATOM 582 O CYS A 226 -7.005 28.742 7.420 1.00 0.00 O ATOM 583 CB CYS A 226 -4.483 28.051 5.851 1.00 0.00 C ATOM 584 SG CYS A 226 -4.233 26.821 4.538 1.00 0.00 S ATOM 0 H CYS A 226 -4.076 30.159 4.780 1.00 0.00 H new ATOM 0 HA CYS A 226 -6.406 28.439 4.931 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -3.571 28.630 5.997 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -4.697 27.550 6.795 1.00 0.00 H new ATOM 0 HG CYS A 226 -2.960 26.669 4.323 1.00 0.00 H new ATOM 590 N VAL A 227 -6.270 30.838 6.990 1.00 0.00 N ATOM 591 CA VAL A 227 -7.049 31.566 7.994 1.00 0.00 C ATOM 592 C VAL A 227 -7.890 32.690 7.370 1.00 0.00 C ATOM 593 O VAL A 227 -8.790 33.228 8.014 1.00 0.00 O ATOM 594 CB VAL A 227 -6.119 32.057 9.125 1.00 0.00 C ATOM 595 CG1 VAL A 227 -5.184 33.213 8.739 1.00 0.00 C ATOM 596 CG2 VAL A 227 -6.901 32.437 10.393 1.00 0.00 C ATOM 0 H VAL A 227 -5.630 31.447 6.479 1.00 0.00 H new ATOM 0 HA VAL A 227 -7.774 30.884 8.438 1.00 0.00 H new ATOM 0 HB VAL A 227 -5.484 31.194 9.326 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -4.571 33.487 9.598 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -4.539 32.901 7.918 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -5.778 34.072 8.427 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -6.206 32.776 11.161 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -7.604 33.237 10.161 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -7.448 31.567 10.757 1.00 0.00 H new ATOM 606 N GLY A 228 -7.605 33.011 6.105 1.00 0.00 N ATOM 607 CA GLY A 228 -8.298 34.018 5.310 1.00 0.00 C ATOM 608 C GLY A 228 -7.595 35.379 5.309 1.00 0.00 C ATOM 609 O GLY A 228 -8.232 36.374 4.966 1.00 0.00 O ATOM 0 H GLY A 228 -6.853 32.555 5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -8.387 33.662 4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -9.311 34.140 5.694 1.00 0.00 H new ATOM 613 N LEU A 229 -6.312 35.440 5.703 1.00 0.00 N ATOM 614 CA LEU A 229 -5.512 36.656 5.660 1.00 0.00 C ATOM 615 C LEU A 229 -5.156 37.031 4.216 1.00 0.00 C ATOM 616 O LEU A 229 -5.147 36.193 3.312 1.00 0.00 O ATOM 617 CB LEU A 229 -4.235 36.497 6.514 1.00 0.00 C ATOM 618 CG LEU A 229 -4.398 36.872 7.999 1.00 0.00 C ATOM 619 CD1 LEU A 229 -3.149 36.426 8.774 1.00 0.00 C ATOM 620 CD2 LEU A 229 -4.589 38.385 8.196 1.00 0.00 C ATOM 0 H LEU A 229 -5.804 34.632 6.063 1.00 0.00 H new ATOM 0 HA LEU A 229 -6.108 37.467 6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -3.899 35.462 6.450 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -3.447 37.115 6.082 1.00 0.00 H new ATOM 0 HG LEU A 229 -5.290 36.367 8.371 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -3.260 36.690 9.826 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -3.029 35.347 8.681 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -2.270 36.925 8.366 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -4.700 38.602 9.258 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -3.720 38.915 7.806 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -5.483 38.711 7.664 1.00 0.00 H new ATOM 632 N THR A 230 -4.814 38.313 4.041 1.00 0.00 N ATOM 633 CA THR A 230 -4.389 38.930 2.780 1.00 0.00 C ATOM 634 C THR A 230 -3.125 39.789 3.000 1.00 0.00 C ATOM 635 O THR A 230 -2.534 40.282 2.041 1.00 0.00 O ATOM 636 CB THR A 230 -5.568 39.751 2.203 1.00 0.00 C ATOM 637 OG1 THR A 230 -6.744 38.966 2.155 1.00 0.00 O ATOM 638 CG2 THR A 230 -5.331 40.287 0.786 1.00 0.00 C ATOM 0 H THR A 230 -4.827 38.980 4.813 1.00 0.00 H new ATOM 0 HA THR A 230 -4.121 38.162 2.054 1.00 0.00 H new ATOM 0 HB THR A 230 -5.666 40.600 2.879 1.00 0.00 H new ATOM 0 HG1 THR A 230 -7.480 39.501 1.790 1.00 0.00 H new ATOM 0 HG21 THR A 230 -6.205 40.850 0.459 1.00 0.00 H new ATOM 0 HG22 THR A 230 -4.458 40.940 0.785 1.00 0.00 H new ATOM 0 HG23 THR A 230 -5.161 39.453 0.105 1.00 0.00 H new ATOM 646 N THR A 231 -2.689 39.938 4.261 1.00 0.00 N ATOM 647 CA THR A 231 -1.546 40.733 4.704 1.00 0.00 C ATOM 648 C THR A 231 -0.827 40.000 5.849 1.00 0.00 C ATOM 649 O THR A 231 -1.257 38.925 6.278 1.00 0.00 O ATOM 650 CB THR A 231 -2.008 42.136 5.162 1.00 0.00 C ATOM 651 OG1 THR A 231 -2.917 42.033 6.241 1.00 0.00 O ATOM 652 CG2 THR A 231 -2.656 42.959 4.042 1.00 0.00 C ATOM 0 H THR A 231 -3.157 39.477 5.041 1.00 0.00 H new ATOM 0 HA THR A 231 -0.854 40.861 3.872 1.00 0.00 H new ATOM 0 HB THR A 231 -1.104 42.659 5.473 1.00 0.00 H new ATOM 0 HG1 THR A 231 -3.198 42.930 6.519 1.00 0.00 H new ATOM 0 HG21 THR A 231 -2.956 43.931 4.432 1.00 0.00 H new ATOM 0 HG22 THR A 231 -1.940 43.098 3.232 1.00 0.00 H new ATOM 0 HG23 THR A 231 -3.533 42.433 3.665 1.00 0.00 H new ATOM 660 N LYS A 232 0.255 40.605 6.360 1.00 0.00 N ATOM 661 CA LYS A 232 1.044 40.077 7.466 1.00 0.00 C ATOM 662 C LYS A 232 0.878 40.985 8.695 1.00 0.00 C ATOM 663 O LYS A 232 1.571 42.000 8.788 1.00 0.00 O ATOM 664 CB LYS A 232 2.516 39.923 7.046 1.00 0.00 C ATOM 665 CG LYS A 232 3.282 39.105 8.100 1.00 0.00 C ATOM 666 CD LYS A 232 4.698 38.742 7.629 1.00 0.00 C ATOM 667 CE LYS A 232 5.492 38.009 8.717 1.00 0.00 C ATOM 668 NZ LYS A 232 4.875 36.723 9.098 1.00 0.00 N ATOM 0 H LYS A 232 0.608 41.493 6.004 1.00 0.00 H new ATOM 0 HA LYS A 232 0.686 39.084 7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 232 2.576 39.429 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 232 2.975 40.905 6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 232 3.343 39.675 9.027 1.00 0.00 H new ATOM 0 HG3 LYS A 232 2.729 38.193 8.323 1.00 0.00 H new ATOM 0 HD2 LYS A 232 4.635 38.114 6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 232 5.229 39.650 7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 232 6.507 37.830 8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 232 5.569 38.646 9.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 5.597 36.101 9.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 4.121 36.892 9.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 4.471 36.268 8.254 1.00 0.00 H new ATOM 682 N PRO A 233 -0.016 40.647 9.648 1.00 0.00 N ATOM 683 CA PRO A 233 -0.078 41.325 10.938 1.00 0.00 C ATOM 684 C PRO A 233 1.149 40.960 11.791 1.00 0.00 C ATOM 685 O PRO A 233 1.875 40.010 11.484 1.00 0.00 O ATOM 686 CB PRO A 233 -1.389 40.851 11.575 1.00 0.00 C ATOM 687 CG PRO A 233 -1.556 39.440 11.019 1.00 0.00 C ATOM 688 CD PRO A 233 -0.974 39.548 9.610 1.00 0.00 C ATOM 0 HA PRO A 233 -0.062 42.411 10.846 1.00 0.00 H new ATOM 0 HB2 PRO A 233 -1.331 40.851 12.663 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -2.226 41.494 11.301 1.00 0.00 H new ATOM 0 HG2 PRO A 233 -1.021 38.705 11.620 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -2.603 39.136 11.000 1.00 0.00 H new ATOM 0 HD2 PRO A 233 -0.487 38.618 9.318 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -1.759 39.741 8.879 1.00 0.00 H new ATOM 696 N ARG A 234 1.356 41.699 12.890 1.00 0.00 N ATOM 697 CA ARG A 234 2.415 41.436 13.849 1.00 0.00 C ATOM 698 C ARG A 234 1.882 41.675 15.259 1.00 0.00 C ATOM 699 O ARG A 234 1.236 42.682 15.550 1.00 0.00 O ATOM 700 CB ARG A 234 3.641 42.312 13.548 1.00 0.00 C ATOM 701 CG ARG A 234 4.932 41.749 14.166 1.00 0.00 C ATOM 702 CD ARG A 234 5.457 40.532 13.389 1.00 0.00 C ATOM 703 NE ARG A 234 6.484 39.792 14.139 1.00 0.00 N ATOM 704 CZ ARG A 234 7.778 40.121 14.262 1.00 0.00 C ATOM 705 NH1 ARG A 234 8.285 41.222 13.701 1.00 0.00 N ATOM 706 NH2 ARG A 234 8.585 39.326 14.965 1.00 0.00 N ATOM 0 H ARG A 234 0.780 42.505 13.133 1.00 0.00 H new ATOM 0 HA ARG A 234 2.736 40.397 13.771 1.00 0.00 H new ATOM 0 HB2 ARG A 234 3.766 42.398 12.469 1.00 0.00 H new ATOM 0 HB3 ARG A 234 3.468 43.318 13.930 1.00 0.00 H new ATOM 0 HG2 ARG A 234 5.696 42.526 14.182 1.00 0.00 H new ATOM 0 HG3 ARG A 234 4.745 41.465 15.202 1.00 0.00 H new ATOM 0 HD2 ARG A 234 4.627 39.865 13.159 1.00 0.00 H new ATOM 0 HD3 ARG A 234 5.873 40.863 12.437 1.00 0.00 H new ATOM 0 HE ARG A 234 6.181 38.942 14.614 1.00 0.00 H new ATOM 0 HH11 ARG A 234 7.683 41.842 13.159 1.00 0.00 H new ATOM 0 HH12 ARG A 234 9.274 41.443 13.814 1.00 0.00 H new ATOM 0 HH21 ARG A 234 8.216 38.481 15.400 1.00 0.00 H new ATOM 0 HH22 ARG A 234 9.572 39.563 15.067 1.00 0.00 H new ATOM 720 N GLY A 235 2.163 40.685 16.101 1.00 0.00 N ATOM 721 CA GLY A 235 1.627 40.509 17.442 1.00 0.00 C ATOM 722 C GLY A 235 1.300 39.032 17.677 1.00 0.00 C ATOM 723 O GLY A 235 1.591 38.177 16.837 1.00 0.00 O ATOM 0 H GLY A 235 2.811 39.940 15.847 1.00 0.00 H new ATOM 0 HA2 GLY A 235 2.350 40.853 18.181 1.00 0.00 H new ATOM 0 HA3 GLY A 235 0.730 41.115 17.568 1.00 0.00 H new ATOM 727 N LYS A 236 0.671 38.737 18.821 1.00 0.00 N ATOM 728 CA LYS A 236 0.122 37.423 19.109 1.00 0.00 C ATOM 729 C LYS A 236 -1.108 37.176 18.235 1.00 0.00 C ATOM 730 O LYS A 236 -2.048 37.970 18.201 1.00 0.00 O ATOM 731 CB LYS A 236 -0.164 37.254 20.609 1.00 0.00 C ATOM 732 CG LYS A 236 -1.137 38.257 21.254 1.00 0.00 C ATOM 733 CD LYS A 236 -1.143 38.132 22.787 1.00 0.00 C ATOM 734 CE LYS A 236 -1.539 36.727 23.259 1.00 0.00 C ATOM 735 NZ LYS A 236 -1.475 36.608 24.727 1.00 0.00 N ATOM 0 H LYS A 236 0.532 39.413 19.572 1.00 0.00 H new ATOM 0 HA LYS A 236 0.860 36.661 18.860 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -0.559 36.250 20.767 1.00 0.00 H new ATOM 0 HB3 LYS A 236 0.785 37.312 21.143 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -0.855 39.271 20.972 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -2.143 38.087 20.870 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -0.153 38.376 23.172 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -1.836 38.862 23.205 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -2.549 36.500 22.919 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -0.877 35.990 22.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -1.749 35.645 25.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -0.505 36.800 25.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -2.126 37.294 25.160 1.00 0.00 H new ATOM 749 N TRP A 237 -1.068 36.042 17.538 1.00 0.00 N ATOM 750 CA TRP A 237 -2.082 35.543 16.630 1.00 0.00 C ATOM 751 C TRP A 237 -2.324 34.068 16.938 1.00 0.00 C ATOM 752 O TRP A 237 -1.400 33.318 17.253 1.00 0.00 O ATOM 753 CB TRP A 237 -1.589 35.736 15.190 1.00 0.00 C ATOM 754 CG TRP A 237 -2.367 35.040 14.117 1.00 0.00 C ATOM 755 CD1 TRP A 237 -3.374 35.544 13.380 1.00 0.00 C ATOM 756 CD2 TRP A 237 -2.183 33.682 13.635 1.00 0.00 C ATOM 757 NE1 TRP A 237 -3.848 34.580 12.504 1.00 0.00 N ATOM 758 CE2 TRP A 237 -3.140 33.397 12.619 1.00 0.00 C ATOM 759 CE3 TRP A 237 -1.274 32.671 13.975 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -3.203 32.137 11.993 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -1.336 31.415 13.356 1.00 0.00 C ATOM 762 CH2 TRP A 237 -2.300 31.132 12.394 1.00 0.00 C ATOM 0 H TRP A 237 -0.270 35.410 17.602 1.00 0.00 H new ATOM 0 HA TRP A 237 -3.021 36.084 16.750 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -1.586 36.804 14.971 1.00 0.00 H new ATOM 0 HB3 TRP A 237 -0.555 35.397 15.136 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -3.756 36.551 13.459 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -4.622 34.725 11.856 1.00 0.00 H new ATOM 0 HE3 TRP A 237 -0.518 32.862 14.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -3.931 31.944 11.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 -0.622 30.653 13.631 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -2.356 30.146 11.956 1.00 0.00 H new ATOM 773 N PHE A 238 -3.584 33.658 16.795 1.00 0.00 N ATOM 774 CA PHE A 238 -4.041 32.300 17.034 1.00 0.00 C ATOM 775 C PHE A 238 -4.776 31.801 15.797 1.00 0.00 C ATOM 776 O PHE A 238 -5.635 32.482 15.236 1.00 0.00 O ATOM 777 CB PHE A 238 -4.906 32.240 18.301 1.00 0.00 C ATOM 778 CG PHE A 238 -4.096 32.327 19.585 1.00 0.00 C ATOM 779 CD1 PHE A 238 -3.634 33.573 20.054 1.00 0.00 C ATOM 780 CD2 PHE A 238 -3.765 31.154 20.292 1.00 0.00 C ATOM 781 CE1 PHE A 238 -2.829 33.641 21.204 1.00 0.00 C ATOM 782 CE2 PHE A 238 -2.959 31.224 21.443 1.00 0.00 C ATOM 783 CZ PHE A 238 -2.484 32.467 21.894 1.00 0.00 C ATOM 0 H PHE A 238 -4.333 34.285 16.501 1.00 0.00 H new ATOM 0 HA PHE A 238 -3.191 31.640 17.210 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -5.628 33.056 18.279 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -5.475 31.310 18.301 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -3.899 34.478 19.528 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -4.131 30.198 19.949 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -2.475 34.598 21.558 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -2.705 30.322 21.980 1.00 0.00 H new ATOM 0 HZ PHE A 238 -1.854 32.520 22.770 1.00 0.00 H new ATOM 793 N CYS A 239 -4.379 30.593 15.386 1.00 0.00 N ATOM 794 CA CYS A 239 -4.833 29.903 14.189 1.00 0.00 C ATOM 795 C CYS A 239 -6.343 29.613 14.210 1.00 0.00 C ATOM 796 O CYS A 239 -6.972 29.762 15.261 1.00 0.00 O ATOM 797 CB CYS A 239 -3.929 28.676 14.022 1.00 0.00 C ATOM 798 SG CYS A 239 -4.460 27.272 15.033 1.00 0.00 S ATOM 0 H CYS A 239 -3.696 30.047 15.911 1.00 0.00 H new ATOM 0 HA CYS A 239 -4.735 30.530 13.302 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -3.917 28.379 12.973 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -2.907 28.944 14.289 1.00 0.00 H new ATOM 0 HG CYS A 239 -3.985 26.171 14.530 1.00 0.00 H new ATOM 804 N PRO A 240 -6.960 29.221 13.075 1.00 0.00 N ATOM 805 CA PRO A 240 -8.410 29.139 13.000 1.00 0.00 C ATOM 806 C PRO A 240 -8.973 28.056 13.920 1.00 0.00 C ATOM 807 O PRO A 240 -9.993 28.283 14.564 1.00 0.00 O ATOM 808 CB PRO A 240 -8.761 28.888 11.530 1.00 0.00 C ATOM 809 CG PRO A 240 -7.484 28.287 10.952 1.00 0.00 C ATOM 810 CD PRO A 240 -6.368 28.917 11.782 1.00 0.00 C ATOM 0 HA PRO A 240 -8.864 30.067 13.348 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -9.605 28.206 11.431 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -9.035 29.812 11.020 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -7.480 27.200 11.038 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -7.376 28.523 9.893 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -5.526 28.233 11.888 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -5.987 29.820 11.304 1.00 0.00 H new ATOM 818 N ARG A 241 -8.264 26.928 14.060 1.00 0.00 N ATOM 819 CA ARG A 241 -8.647 25.813 14.918 1.00 0.00 C ATOM 820 C ARG A 241 -8.341 26.068 16.403 1.00 0.00 C ATOM 821 O ARG A 241 -8.440 25.152 17.218 1.00 0.00 O ATOM 822 CB ARG A 241 -8.047 24.503 14.384 1.00 0.00 C ATOM 823 CG ARG A 241 -8.456 24.290 12.914 1.00 0.00 C ATOM 824 CD ARG A 241 -8.373 22.822 12.490 1.00 0.00 C ATOM 825 NE ARG A 241 -8.647 22.653 11.052 1.00 0.00 N ATOM 826 CZ ARG A 241 -9.832 22.792 10.436 1.00 0.00 C ATOM 827 NH1 ARG A 241 -10.951 23.122 11.087 1.00 0.00 N ATOM 828 NH2 ARG A 241 -9.900 22.596 9.119 1.00 0.00 N ATOM 0 H ARG A 241 -7.387 26.768 13.565 1.00 0.00 H new ATOM 0 HA ARG A 241 -9.732 25.714 14.880 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -6.960 24.532 14.466 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -8.390 23.664 14.990 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -9.474 24.650 12.768 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -7.811 24.888 12.270 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -7.381 22.433 12.720 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -9.087 22.235 13.068 1.00 0.00 H new ATOM 0 HE ARG A 241 -7.853 22.404 10.462 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -10.927 23.280 12.094 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -11.829 23.216 10.577 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -9.061 22.345 8.597 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -10.791 22.697 8.634 1.00 0.00 H new ATOM 842 N CYS A 242 -7.992 27.316 16.749 1.00 0.00 N ATOM 843 CA CYS A 242 -7.654 27.777 18.080 1.00 0.00 C ATOM 844 C CYS A 242 -8.417 29.037 18.514 1.00 0.00 C ATOM 845 O CYS A 242 -8.387 29.364 19.701 1.00 0.00 O ATOM 846 CB CYS A 242 -6.156 28.079 18.091 1.00 0.00 C ATOM 847 SG CYS A 242 -5.189 26.560 18.304 1.00 0.00 S ATOM 0 H CYS A 242 -7.939 28.065 16.058 1.00 0.00 H new ATOM 0 HA CYS A 242 -7.934 26.993 18.784 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -5.873 28.567 17.158 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -5.928 28.776 18.897 1.00 0.00 H new ATOM 0 HG CYS A 242 -4.597 26.262 17.186 1.00 0.00 H new ATOM 853 N SER A 243 -9.081 29.743 17.588 1.00 0.00 N ATOM 854 CA SER A 243 -9.786 30.992 17.880 1.00 0.00 C ATOM 855 C SER A 243 -10.998 31.209 16.970 1.00 0.00 C ATOM 856 O SER A 243 -12.055 31.613 17.456 1.00 0.00 O ATOM 857 CB SER A 243 -8.792 32.154 17.733 1.00 0.00 C ATOM 858 OG SER A 243 -9.404 33.384 18.062 1.00 0.00 O ATOM 0 H SER A 243 -9.142 29.459 16.610 1.00 0.00 H new ATOM 0 HA SER A 243 -10.172 30.941 18.898 1.00 0.00 H new ATOM 0 HB2 SER A 243 -7.932 31.986 18.381 1.00 0.00 H new ATOM 0 HB3 SER A 243 -8.418 32.191 16.710 1.00 0.00 H new ATOM 0 HG SER A 243 -8.753 34.110 17.963 1.00 0.00 H new ATOM 864 N GLN A 244 -10.856 30.924 15.668 1.00 0.00 N ATOM 865 CA GLN A 244 -11.919 31.138 14.678 1.00 0.00 C ATOM 866 C GLN A 244 -13.035 30.083 14.763 1.00 0.00 C ATOM 867 O GLN A 244 -14.140 30.360 14.302 1.00 0.00 O ATOM 868 CB GLN A 244 -11.313 31.218 13.265 1.00 0.00 C ATOM 869 CG GLN A 244 -12.279 31.573 12.122 1.00 0.00 C ATOM 870 CD GLN A 244 -13.072 32.867 12.307 1.00 0.00 C ATOM 871 OE1 GLN A 244 -12.642 33.800 12.980 1.00 0.00 O ATOM 872 NE2 GLN A 244 -14.255 32.928 11.697 1.00 0.00 N ATOM 0 H GLN A 244 -9.999 30.538 15.272 1.00 0.00 H new ATOM 0 HA GLN A 244 -12.398 32.090 14.908 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -10.514 31.959 13.278 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -10.853 30.257 13.036 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -11.708 31.647 11.197 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -12.983 30.751 11.997 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -14.585 32.137 11.145 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -14.830 33.766 11.782 1.00 0.00 H new ATOM 881 N GLU A 245 -12.797 28.920 15.397 1.00 0.00 N ATOM 882 CA GLU A 245 -13.841 27.923 15.660 1.00 0.00 C ATOM 883 C GLU A 245 -14.933 28.475 16.592 1.00 0.00 C ATOM 884 O GLU A 245 -16.061 27.983 16.559 1.00 0.00 O ATOM 885 CB GLU A 245 -13.228 26.653 16.274 1.00 0.00 C ATOM 886 CG GLU A 245 -12.406 25.815 15.279 1.00 0.00 C ATOM 887 CD GLU A 245 -13.207 25.042 14.224 1.00 0.00 C ATOM 888 OE1 GLU A 245 -14.454 25.015 14.310 1.00 0.00 O ATOM 889 OE2 GLU A 245 -12.538 24.465 13.334 1.00 0.00 O ATOM 0 H GLU A 245 -11.875 28.649 15.739 1.00 0.00 H new ATOM 0 HA GLU A 245 -14.304 27.677 14.704 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -12.589 26.937 17.110 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -14.028 26.035 16.681 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -11.711 26.478 14.764 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -11.806 25.102 15.845 1.00 0.00 H new