USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 489 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 346 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 347 LYS NZ :NH3+ -165:sc= -0.0367 (180deg=-0.307) USER MOD Set 2.1: A 338 HIS : no HD1:sc= 0.4 K(o=1,f=-3.2!) USER MOD Set 2.2: A 363 SER OG : rot 79:sc= 0.612 USER MOD Set 3.1: A 301 THR OG1 : rot 122:sc= 0.722 USER MOD Set 3.2: A 303 ASN : amide:sc= -4.12! K(o=-3.4!,f=-1.5) USER MOD Set 4.1: A 290 CYS SG : rot 5:sc= 0.805 USER MOD Set 4.2: A 362 ASN : amide:sc= 1.01 K(o=1.8,f=0.65) USER MOD Single : A 289 HIS : no HE2:sc= -2.8! K(o=-2.8!,f=-1.5) USER MOD Single : A 292 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 293 MET CE :methyl -161:sc= -0.132 (180deg=-0.597) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.866 K(o=0.87,f=-0.14) USER MOD Single : A 310 SER OG : rot 90:sc= -0.19 USER MOD Single : A 313 ASN : amide:sc= 0.69 K(o=0.69,f=-1.6!) USER MOD Single : A 318 HIS : no HE2:sc= 0.244 K(o=0.24,f=-2.8!) USER MOD Single : A 337 THR OG1 : rot -8:sc= 0.945 USER MOD Single : A 345 MET CE :methyl 170:sc= -1.57 (180deg=-1.77) USER MOD Single : A 351 ASN : amide:sc= 0.645 K(o=0.65,f=0) USER MOD Single : A 352 MET CE :methyl 176:sc= 0 (180deg=-0.00774) USER MOD Single : A 353 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.041) USER MOD Single : A 354 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.31) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 THR OG1 : rot 180:sc= 0 USER MOD Single : A 365 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N HIS A 289 -4.280 5.090 -6.226 1.00 0.00 N ATOM 160 CA HIS A 289 -2.845 5.262 -6.069 1.00 0.00 C ATOM 161 C HIS A 289 -2.382 4.211 -5.068 1.00 0.00 C ATOM 162 O HIS A 289 -2.894 4.169 -3.953 1.00 0.00 O ATOM 163 CB HIS A 289 -2.588 6.694 -5.603 1.00 0.00 C ATOM 164 CG HIS A 289 -3.064 7.702 -6.613 1.00 0.00 C ATOM 165 ND1 HIS A 289 -2.285 8.427 -7.486 1.00 0.00 N ATOM 166 CD2 HIS A 289 -4.365 8.066 -6.840 1.00 0.00 C ATOM 167 CE1 HIS A 289 -3.103 9.205 -8.217 1.00 0.00 C ATOM 168 NE2 HIS A 289 -4.385 9.024 -7.858 1.00 0.00 N ATOM 0 HA HIS A 289 -2.287 5.122 -6.995 1.00 0.00 H new ATOM 0 HB2 HIS A 289 -3.095 6.864 -4.653 1.00 0.00 H new ATOM 0 HB3 HIS A 289 -1.522 6.833 -5.425 1.00 0.00 H new ATOM 0 HD1 HIS A 289 -1.269 8.382 -7.564 1.00 0.00 H new ATOM 0 HD2 HIS A 289 -5.229 7.679 -6.321 1.00 0.00 H new ATOM 0 HE1 HIS A 289 -2.773 9.884 -8.989 1.00 0.00 H new ATOM 176 N CYS A 290 -1.421 3.356 -5.438 1.00 0.00 N ATOM 177 CA CYS A 290 -1.160 2.176 -4.630 1.00 0.00 C ATOM 178 C CYS A 290 0.319 1.968 -4.337 1.00 0.00 C ATOM 179 O CYS A 290 1.183 2.669 -4.860 1.00 0.00 O ATOM 180 CB CYS A 290 -1.774 0.955 -5.323 1.00 0.00 C ATOM 181 SG CYS A 290 -1.043 0.735 -6.966 1.00 0.00 S ATOM 0 H CYS A 290 -0.833 3.459 -6.265 1.00 0.00 H new ATOM 0 HA CYS A 290 -1.628 2.321 -3.656 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.606 0.063 -4.720 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -2.853 1.082 -5.411 1.00 0.00 H new ATOM 0 HG CYS A 290 -0.084 1.597 -7.133 1.00 0.00 H new ATOM 187 N VAL A 291 0.586 0.980 -3.482 1.00 0.00 N ATOM 188 CA VAL A 291 1.914 0.610 -3.027 1.00 0.00 C ATOM 189 C VAL A 291 1.882 -0.862 -2.627 1.00 0.00 C ATOM 190 O VAL A 291 0.821 -1.393 -2.307 1.00 0.00 O ATOM 191 CB VAL A 291 2.280 1.480 -1.813 1.00 0.00 C ATOM 192 CG1 VAL A 291 3.600 1.056 -1.178 1.00 0.00 C ATOM 193 CG2 VAL A 291 2.415 2.951 -2.210 1.00 0.00 C ATOM 0 H VAL A 291 -0.147 0.399 -3.077 1.00 0.00 H new ATOM 0 HA VAL A 291 2.655 0.763 -3.811 1.00 0.00 H new ATOM 0 HB VAL A 291 1.469 1.347 -1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 291 3.817 1.699 -0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.527 0.021 -0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.401 1.144 -1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 291 2.674 3.543 -1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 291 3.198 3.055 -2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.469 3.305 -2.620 1.00 0.00 H new ATOM 203 N HIS A 292 3.041 -1.526 -2.645 1.00 0.00 N ATOM 204 CA HIS A 292 3.162 -2.910 -2.214 1.00 0.00 C ATOM 205 C HIS A 292 4.120 -2.953 -1.033 1.00 0.00 C ATOM 206 O HIS A 292 5.002 -2.104 -0.928 1.00 0.00 O ATOM 207 CB HIS A 292 3.661 -3.773 -3.373 1.00 0.00 C ATOM 208 CG HIS A 292 2.744 -3.736 -4.567 1.00 0.00 C ATOM 209 ND1 HIS A 292 2.933 -3.013 -5.722 1.00 0.00 N ATOM 210 CD2 HIS A 292 1.562 -4.414 -4.706 1.00 0.00 C ATOM 211 CE1 HIS A 292 1.888 -3.253 -6.534 1.00 0.00 C ATOM 212 NE2 HIS A 292 1.020 -4.103 -5.959 1.00 0.00 N ATOM 0 H HIS A 292 3.919 -1.113 -2.960 1.00 0.00 H new ATOM 0 HA HIS A 292 2.195 -3.307 -1.906 1.00 0.00 H new ATOM 0 HB2 HIS A 292 4.653 -3.433 -3.672 1.00 0.00 H new ATOM 0 HB3 HIS A 292 3.766 -4.803 -3.033 1.00 0.00 H new ATOM 0 HD2 HIS A 292 1.123 -5.076 -3.974 1.00 0.00 H new ATOM 0 HE1 HIS A 292 1.763 -2.821 -7.516 1.00 0.00 H new ATOM 0 HE2 HIS A 292 0.146 -4.450 -6.354 1.00 0.00 H new ATOM 220 N MET A 293 3.957 -3.932 -0.141 1.00 0.00 N ATOM 221 CA MET A 293 4.704 -3.933 1.103 1.00 0.00 C ATOM 222 C MET A 293 4.980 -5.333 1.633 1.00 0.00 C ATOM 223 O MET A 293 4.192 -6.260 1.430 1.00 0.00 O ATOM 224 CB MET A 293 3.897 -3.135 2.137 1.00 0.00 C ATOM 225 CG MET A 293 2.491 -3.692 2.342 1.00 0.00 C ATOM 226 SD MET A 293 1.577 -2.921 3.704 1.00 0.00 S ATOM 227 CE MET A 293 2.565 -3.508 5.107 1.00 0.00 C ATOM 0 H MET A 293 3.322 -4.721 -0.260 1.00 0.00 H new ATOM 0 HA MET A 293 5.678 -3.480 0.917 1.00 0.00 H new ATOM 0 HB2 MET A 293 4.428 -3.140 3.089 1.00 0.00 H new ATOM 0 HB3 MET A 293 3.829 -2.096 1.815 1.00 0.00 H new ATOM 0 HG2 MET A 293 1.924 -3.564 1.420 1.00 0.00 H new ATOM 0 HG3 MET A 293 2.560 -4.764 2.527 1.00 0.00 H new ATOM 0 HE1 MET A 293 1.981 -3.424 6.024 1.00 0.00 H new ATOM 0 HE2 MET A 293 2.841 -4.550 4.947 1.00 0.00 H new ATOM 0 HE3 MET A 293 3.467 -2.903 5.195 1.00 0.00 H new ATOM 237 N ARG A 294 6.119 -5.479 2.325 1.00 0.00 N ATOM 238 CA ARG A 294 6.388 -6.671 3.106 1.00 0.00 C ATOM 239 C ARG A 294 5.252 -6.786 4.098 1.00 0.00 C ATOM 240 O ARG A 294 4.989 -5.833 4.836 1.00 0.00 O ATOM 241 CB ARG A 294 7.722 -6.572 3.854 1.00 0.00 C ATOM 242 CG ARG A 294 7.638 -7.381 5.156 1.00 0.00 C ATOM 243 CD ARG A 294 9.008 -7.754 5.703 1.00 0.00 C ATOM 244 NE ARG A 294 9.676 -8.704 4.807 1.00 0.00 N ATOM 245 CZ ARG A 294 10.312 -9.811 5.202 1.00 0.00 C ATOM 246 NH1 ARG A 294 10.391 -10.142 6.486 1.00 0.00 N ATOM 247 NH2 ARG A 294 10.878 -10.605 4.299 1.00 0.00 N ATOM 0 H ARG A 294 6.862 -4.781 2.353 1.00 0.00 H new ATOM 0 HA ARG A 294 6.459 -7.542 2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 294 8.531 -6.951 3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 294 7.951 -5.530 4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 294 7.097 -6.802 5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 294 7.062 -8.289 4.978 1.00 0.00 H new ATOM 0 HD2 ARG A 294 9.619 -6.858 5.813 1.00 0.00 H new ATOM 0 HD3 ARG A 294 8.903 -8.193 6.695 1.00 0.00 H new ATOM 0 HE ARG A 294 9.653 -8.505 3.807 1.00 0.00 H new ATOM 0 HH11 ARG A 294 9.961 -9.546 7.194 1.00 0.00 H new ATOM 0 HH12 ARG A 294 10.882 -10.992 6.764 1.00 0.00 H new ATOM 0 HH21 ARG A 294 10.826 -10.369 3.308 1.00 0.00 H new ATOM 0 HH22 ARG A 294 11.364 -11.451 4.597 1.00 0.00 H new ATOM 261 N GLY A 295 4.607 -7.954 4.088 1.00 0.00 N ATOM 262 CA GLY A 295 3.424 -8.203 4.889 1.00 0.00 C ATOM 263 C GLY A 295 3.814 -8.603 6.302 1.00 0.00 C ATOM 264 O GLY A 295 4.985 -8.861 6.579 1.00 0.00 O ATOM 0 H GLY A 295 4.897 -8.750 3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 295 2.801 -7.309 4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 295 2.828 -8.993 4.432 1.00 0.00 H new ATOM 268 N LEU A 296 2.824 -8.654 7.195 1.00 0.00 N ATOM 269 CA LEU A 296 3.068 -8.970 8.592 1.00 0.00 C ATOM 270 C LEU A 296 3.788 -10.320 8.665 1.00 0.00 C ATOM 271 O LEU A 296 4.784 -10.429 9.378 1.00 0.00 O ATOM 272 CB LEU A 296 1.752 -8.868 9.375 1.00 0.00 C ATOM 273 CG LEU A 296 1.089 -7.508 9.098 1.00 0.00 C ATOM 274 CD1 LEU A 296 -0.342 -7.496 9.609 1.00 0.00 C ATOM 275 CD2 LEU A 296 1.852 -6.372 9.776 1.00 0.00 C ATOM 0 H LEU A 296 1.845 -8.479 6.969 1.00 0.00 H new ATOM 0 HA LEU A 296 3.733 -8.255 9.075 1.00 0.00 H new ATOM 0 HB2 LEU A 296 1.081 -9.677 9.085 1.00 0.00 H new ATOM 0 HB3 LEU A 296 1.943 -8.980 10.442 1.00 0.00 H new ATOM 0 HG LEU A 296 1.101 -7.359 8.018 1.00 0.00 H new ATOM 0 HD11 LEU A 296 -0.794 -6.525 9.404 1.00 0.00 H new ATOM 0 HD12 LEU A 296 -0.914 -8.276 9.107 1.00 0.00 H new ATOM 0 HD13 LEU A 296 -0.346 -7.678 10.684 1.00 0.00 H new ATOM 0 HD21 LEU A 296 1.359 -5.424 9.562 1.00 0.00 H new ATOM 0 HD22 LEU A 296 1.869 -6.537 10.853 1.00 0.00 H new ATOM 0 HD23 LEU A 296 2.874 -6.343 9.398 1.00 0.00 H new ATOM 344 N ALA A 300 -0.012 -10.225 13.037 1.00 0.00 N ATOM 345 CA ALA A 300 -0.864 -9.055 13.196 1.00 0.00 C ATOM 346 C ALA A 300 -1.851 -8.948 12.028 1.00 0.00 C ATOM 347 O ALA A 300 -1.985 -9.887 11.246 1.00 0.00 O ATOM 348 CB ALA A 300 0.025 -7.813 13.310 1.00 0.00 C ATOM 0 HA ALA A 300 -1.459 -9.143 14.105 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -0.600 -6.928 13.430 1.00 0.00 H new ATOM 0 HB2 ALA A 300 0.681 -7.913 14.174 1.00 0.00 H new ATOM 0 HB3 ALA A 300 0.627 -7.713 12.407 1.00 0.00 H new ATOM 354 N THR A 301 -2.543 -7.807 11.907 1.00 0.00 N ATOM 355 CA THR A 301 -3.539 -7.598 10.859 1.00 0.00 C ATOM 356 C THR A 301 -3.525 -6.176 10.303 1.00 0.00 C ATOM 357 O THR A 301 -2.815 -5.296 10.790 1.00 0.00 O ATOM 358 CB THR A 301 -4.947 -7.917 11.379 1.00 0.00 C ATOM 359 OG1 THR A 301 -4.976 -7.913 12.791 1.00 0.00 O ATOM 360 CG2 THR A 301 -5.392 -9.285 10.872 1.00 0.00 C ATOM 0 H THR A 301 -2.426 -7.009 12.532 1.00 0.00 H new ATOM 0 HA THR A 301 -3.274 -8.277 10.049 1.00 0.00 H new ATOM 0 HB THR A 301 -5.626 -7.148 11.011 1.00 0.00 H new ATOM 0 HG1 THR A 301 -5.634 -7.257 13.103 1.00 0.00 H new ATOM 0 HG21 THR A 301 -6.392 -9.504 11.246 1.00 0.00 H new ATOM 0 HG22 THR A 301 -5.404 -9.283 9.782 1.00 0.00 H new ATOM 0 HG23 THR A 301 -4.698 -10.047 11.225 1.00 0.00 H new ATOM 368 N GLU A 302 -4.335 -5.963 9.260 1.00 0.00 N ATOM 369 CA GLU A 302 -4.413 -4.697 8.552 1.00 0.00 C ATOM 370 C GLU A 302 -4.817 -3.546 9.469 1.00 0.00 C ATOM 371 O GLU A 302 -4.501 -2.394 9.182 1.00 0.00 O ATOM 372 CB GLU A 302 -5.402 -4.833 7.390 1.00 0.00 C ATOM 373 CG GLU A 302 -6.848 -4.897 7.882 1.00 0.00 C ATOM 374 CD GLU A 302 -7.823 -5.190 6.742 1.00 0.00 C ATOM 375 OE1 GLU A 302 -7.581 -6.173 6.007 1.00 0.00 O ATOM 376 OE2 GLU A 302 -8.807 -4.427 6.615 1.00 0.00 O ATOM 0 H GLU A 302 -4.959 -6.678 8.886 1.00 0.00 H new ATOM 0 HA GLU A 302 -3.420 -4.458 8.170 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -5.285 -3.987 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -5.172 -5.733 6.820 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -6.938 -5.670 8.645 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -7.114 -3.951 8.353 1.00 0.00 H new ATOM 383 N ASN A 303 -5.514 -3.857 10.567 1.00 0.00 N ATOM 384 CA ASN A 303 -5.941 -2.866 11.543 1.00 0.00 C ATOM 385 C ASN A 303 -4.749 -2.155 12.186 1.00 0.00 C ATOM 386 O ASN A 303 -4.928 -1.146 12.866 1.00 0.00 O ATOM 387 CB ASN A 303 -6.849 -3.527 12.581 1.00 0.00 C ATOM 388 CG ASN A 303 -6.220 -4.780 13.147 1.00 0.00 C ATOM 389 OD1 ASN A 303 -6.877 -5.808 13.277 1.00 0.00 O ATOM 390 ND2 ASN A 303 -4.942 -4.700 13.485 1.00 0.00 N ATOM 0 H ASN A 303 -5.796 -4.809 10.799 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.513 -2.092 11.032 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -7.053 -2.824 13.389 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -7.807 -3.774 12.124 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -4.465 -5.515 13.871 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -4.435 -3.824 13.359 1.00 0.00 H new ATOM 397 N ASP A 304 -3.537 -2.676 11.975 1.00 0.00 N ATOM 398 CA ASP A 304 -2.318 -2.050 12.459 1.00 0.00 C ATOM 399 C ASP A 304 -1.416 -1.620 11.309 1.00 0.00 C ATOM 400 O ASP A 304 -0.503 -0.822 11.509 1.00 0.00 O ATOM 401 CB ASP A 304 -1.611 -3.026 13.402 1.00 0.00 C ATOM 402 CG ASP A 304 -0.497 -2.363 14.209 1.00 0.00 C ATOM 403 OD1 ASP A 304 -0.624 -1.150 14.484 1.00 0.00 O ATOM 404 OD2 ASP A 304 0.472 -3.079 14.545 1.00 0.00 O ATOM 0 H ASP A 304 -3.380 -3.544 11.463 1.00 0.00 H new ATOM 0 HA ASP A 304 -2.567 -1.140 13.005 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -2.342 -3.458 14.086 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -1.193 -3.848 12.821 1.00 0.00 H new ATOM 409 N ILE A 305 -1.658 -2.136 10.101 1.00 0.00 N ATOM 410 CA ILE A 305 -0.919 -1.699 8.923 1.00 0.00 C ATOM 411 C ILE A 305 -1.273 -0.263 8.564 1.00 0.00 C ATOM 412 O ILE A 305 -0.378 0.564 8.396 1.00 0.00 O ATOM 413 CB ILE A 305 -1.280 -2.597 7.745 1.00 0.00 C ATOM 414 CG1 ILE A 305 -0.681 -3.983 7.985 1.00 0.00 C ATOM 415 CG2 ILE A 305 -0.766 -1.999 6.429 1.00 0.00 C ATOM 416 CD1 ILE A 305 -0.959 -4.892 6.793 1.00 0.00 C ATOM 0 H ILE A 305 -2.358 -2.854 9.918 1.00 0.00 H new ATOM 0 HA ILE A 305 0.147 -1.759 9.142 1.00 0.00 H new ATOM 0 HB ILE A 305 -2.364 -2.678 7.664 1.00 0.00 H new ATOM 0 HG12 ILE A 305 0.394 -3.900 8.145 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -1.105 -4.418 8.890 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -1.034 -2.656 5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -1.216 -1.018 6.275 1.00 0.00 H new ATOM 0 HG23 ILE A 305 0.318 -1.897 6.475 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -0.527 -5.876 6.977 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.036 -4.989 6.653 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -0.513 -4.462 5.896 1.00 0.00 H new ATOM 428 N TYR A 306 -2.570 0.048 8.441 1.00 0.00 N ATOM 429 CA TYR A 306 -2.966 1.393 8.057 1.00 0.00 C ATOM 430 C TYR A 306 -2.671 2.386 9.180 1.00 0.00 C ATOM 431 O TYR A 306 -3.007 3.563 9.067 1.00 0.00 O ATOM 432 CB TYR A 306 -4.423 1.450 7.578 1.00 0.00 C ATOM 433 CG TYR A 306 -5.499 1.074 8.574 1.00 0.00 C ATOM 434 CD1 TYR A 306 -5.827 1.941 9.626 1.00 0.00 C ATOM 435 CD2 TYR A 306 -6.183 -0.143 8.432 1.00 0.00 C ATOM 436 CE1 TYR A 306 -6.843 1.597 10.530 1.00 0.00 C ATOM 437 CE2 TYR A 306 -7.203 -0.491 9.326 1.00 0.00 C ATOM 438 CZ TYR A 306 -7.536 0.378 10.384 1.00 0.00 C ATOM 439 OH TYR A 306 -8.524 0.040 11.260 1.00 0.00 O ATOM 0 H TYR A 306 -3.340 -0.601 8.599 1.00 0.00 H new ATOM 0 HA TYR A 306 -2.362 1.690 7.200 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -4.624 2.464 7.231 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -4.519 0.793 6.714 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -5.297 2.875 9.740 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.921 -0.815 7.628 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -7.095 2.267 11.339 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -7.734 -1.424 9.205 1.00 0.00 H new ATOM 0 HH TYR A 306 -8.897 -0.832 11.012 1.00 0.00 H new ATOM 449 N ASN A 307 -2.043 1.905 10.259 1.00 0.00 N ATOM 450 CA ASN A 307 -1.704 2.698 11.419 1.00 0.00 C ATOM 451 C ASN A 307 -0.183 2.731 11.636 1.00 0.00 C ATOM 452 O ASN A 307 0.310 3.572 12.386 1.00 0.00 O ATOM 453 CB ASN A 307 -2.455 2.061 12.585 1.00 0.00 C ATOM 454 CG ASN A 307 -1.891 2.471 13.930 1.00 0.00 C ATOM 455 OD1 ASN A 307 -2.080 3.594 14.389 1.00 0.00 O ATOM 456 ND2 ASN A 307 -1.190 1.541 14.564 1.00 0.00 N ATOM 0 H ASN A 307 -1.755 0.930 10.340 1.00 0.00 H new ATOM 0 HA ASN A 307 -1.995 3.742 11.305 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -3.506 2.344 12.534 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -2.412 0.976 12.492 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -0.780 1.744 15.475 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -1.061 0.622 14.140 1.00 0.00 H new ATOM 463 N PHE A 308 0.565 1.829 10.990 1.00 0.00 N ATOM 464 CA PHE A 308 2.022 1.835 11.045 1.00 0.00 C ATOM 465 C PHE A 308 2.580 2.792 9.990 1.00 0.00 C ATOM 466 O PHE A 308 3.700 3.287 10.125 1.00 0.00 O ATOM 467 CB PHE A 308 2.544 0.408 10.822 1.00 0.00 C ATOM 468 CG PHE A 308 3.548 0.238 9.699 1.00 0.00 C ATOM 469 CD1 PHE A 308 3.103 0.090 8.377 1.00 0.00 C ATOM 470 CD2 PHE A 308 4.923 0.223 9.975 1.00 0.00 C ATOM 471 CE1 PHE A 308 4.026 -0.072 7.336 1.00 0.00 C ATOM 472 CE2 PHE A 308 5.848 0.054 8.934 1.00 0.00 C ATOM 473 CZ PHE A 308 5.399 -0.086 7.614 1.00 0.00 C ATOM 0 H PHE A 308 0.175 1.080 10.418 1.00 0.00 H new ATOM 0 HA PHE A 308 2.353 2.180 12.024 1.00 0.00 H new ATOM 0 HB2 PHE A 308 3.002 0.060 11.748 1.00 0.00 H new ATOM 0 HB3 PHE A 308 1.692 -0.243 10.624 1.00 0.00 H new ATOM 0 HD1 PHE A 308 2.045 0.101 8.161 1.00 0.00 H new ATOM 0 HD2 PHE A 308 5.270 0.342 10.991 1.00 0.00 H new ATOM 0 HE1 PHE A 308 3.679 -0.186 6.320 1.00 0.00 H new ATOM 0 HE2 PHE A 308 6.906 0.032 9.150 1.00 0.00 H new ATOM 0 HZ PHE A 308 6.111 -0.205 6.811 1.00 0.00 H new ATOM 483 N PHE A 309 1.796 3.049 8.941 1.00 0.00 N ATOM 484 CA PHE A 309 2.183 3.932 7.852 1.00 0.00 C ATOM 485 C PHE A 309 2.209 5.394 8.292 1.00 0.00 C ATOM 486 O PHE A 309 3.249 6.048 8.210 1.00 0.00 O ATOM 487 CB PHE A 309 1.159 3.766 6.727 1.00 0.00 C ATOM 488 CG PHE A 309 1.672 3.008 5.526 1.00 0.00 C ATOM 489 CD1 PHE A 309 2.670 3.586 4.736 1.00 0.00 C ATOM 490 CD2 PHE A 309 1.158 1.744 5.195 1.00 0.00 C ATOM 491 CE1 PHE A 309 3.125 2.930 3.590 1.00 0.00 C ATOM 492 CE2 PHE A 309 1.631 1.074 4.055 1.00 0.00 C ATOM 493 CZ PHE A 309 2.604 1.676 3.244 1.00 0.00 C ATOM 0 H PHE A 309 0.867 2.644 8.828 1.00 0.00 H new ATOM 0 HA PHE A 309 3.188 3.667 7.522 1.00 0.00 H new ATOM 0 HB2 PHE A 309 0.284 3.249 7.121 1.00 0.00 H new ATOM 0 HB3 PHE A 309 0.828 4.753 6.405 1.00 0.00 H new ATOM 0 HD1 PHE A 309 3.090 4.542 5.012 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.401 1.288 5.816 1.00 0.00 H new ATOM 0 HE1 PHE A 309 3.880 3.390 2.969 1.00 0.00 H new ATOM 0 HE2 PHE A 309 1.246 0.097 3.803 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.952 1.173 2.353 1.00 0.00 H new ATOM 503 N SER A 310 1.062 5.900 8.755 1.00 0.00 N ATOM 504 CA SER A 310 0.881 7.306 9.089 1.00 0.00 C ATOM 505 C SER A 310 -0.519 7.509 9.682 1.00 0.00 C ATOM 506 O SER A 310 -1.260 6.537 9.830 1.00 0.00 O ATOM 507 CB SER A 310 1.084 8.137 7.817 1.00 0.00 C ATOM 508 OG SER A 310 2.084 9.111 8.030 1.00 0.00 O ATOM 0 H SER A 310 0.227 5.334 8.908 1.00 0.00 H new ATOM 0 HA SER A 310 1.608 7.628 9.834 1.00 0.00 H new ATOM 0 HB2 SER A 310 1.369 7.487 6.990 1.00 0.00 H new ATOM 0 HB3 SER A 310 0.148 8.620 7.535 1.00 0.00 H new ATOM 0 HG SER A 310 2.959 8.739 7.793 1.00 0.00 H new ATOM 514 N PRO A 311 -0.906 8.745 10.028 1.00 0.00 N ATOM 515 CA PRO A 311 -2.158 9.060 10.698 1.00 0.00 C ATOM 516 C PRO A 311 -3.284 9.207 9.670 1.00 0.00 C ATOM 517 O PRO A 311 -4.210 9.993 9.862 1.00 0.00 O ATOM 518 CB PRO A 311 -1.871 10.370 11.429 1.00 0.00 C ATOM 519 CG PRO A 311 -0.924 11.093 10.474 1.00 0.00 C ATOM 520 CD PRO A 311 -0.148 9.962 9.796 1.00 0.00 C ATOM 0 HA PRO A 311 -2.489 8.283 11.387 1.00 0.00 H new ATOM 0 HB2 PRO A 311 -2.782 10.942 11.605 1.00 0.00 H new ATOM 0 HB3 PRO A 311 -1.410 10.197 12.402 1.00 0.00 H new ATOM 0 HG2 PRO A 311 -1.471 11.693 9.747 1.00 0.00 H new ATOM 0 HG3 PRO A 311 -0.258 11.770 11.009 1.00 0.00 H new ATOM 0 HD2 PRO A 311 -0.038 10.153 8.729 1.00 0.00 H new ATOM 0 HD3 PRO A 311 0.857 9.878 10.210 1.00 0.00 H new ATOM 528 N LEU A 312 -3.188 8.441 8.577 1.00 0.00 N ATOM 529 CA LEU A 312 -4.097 8.483 7.443 1.00 0.00 C ATOM 530 C LEU A 312 -5.506 7.969 7.776 1.00 0.00 C ATOM 531 O LEU A 312 -6.094 8.299 8.805 1.00 0.00 O ATOM 532 CB LEU A 312 -3.525 7.636 6.308 1.00 0.00 C ATOM 533 CG LEU A 312 -2.104 7.956 5.868 1.00 0.00 C ATOM 534 CD1 LEU A 312 -1.888 7.080 4.652 1.00 0.00 C ATOM 535 CD2 LEU A 312 -1.868 9.381 5.398 1.00 0.00 C ATOM 0 H LEU A 312 -2.445 7.752 8.461 1.00 0.00 H new ATOM 0 HA LEU A 312 -4.191 9.530 7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 312 -3.560 6.590 6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 312 -4.181 7.738 5.443 1.00 0.00 H new ATOM 0 HG LEU A 312 -1.445 7.801 6.722 1.00 0.00 H new ATOM 0 HD11 LEU A 312 -0.884 7.242 4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 312 -2.004 6.033 4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 312 -2.621 7.334 3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 312 -0.824 9.500 5.108 1.00 0.00 H new ATOM 0 HD22 LEU A 312 -2.509 9.593 4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 312 -2.102 10.074 6.206 1.00 0.00 H new ATOM 547 N ASN A 313 -6.036 7.144 6.868 1.00 0.00 N ATOM 548 CA ASN A 313 -7.399 6.653 6.840 1.00 0.00 C ATOM 549 C ASN A 313 -7.400 5.213 6.315 1.00 0.00 C ATOM 550 O ASN A 313 -6.603 4.879 5.442 1.00 0.00 O ATOM 551 CB ASN A 313 -8.184 7.571 5.899 1.00 0.00 C ATOM 552 CG ASN A 313 -7.281 8.299 4.914 1.00 0.00 C ATOM 553 OD1 ASN A 313 -6.655 7.684 4.056 1.00 0.00 O ATOM 554 ND2 ASN A 313 -7.207 9.617 5.034 1.00 0.00 N ATOM 0 H ASN A 313 -5.483 6.785 6.090 1.00 0.00 H new ATOM 0 HA ASN A 313 -7.851 6.654 7.832 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -8.917 6.982 5.349 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -8.739 8.301 6.488 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -6.615 10.154 4.401 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -7.742 10.094 5.760 1.00 0.00 H new ATOM 561 N PRO A 314 -8.284 4.347 6.832 1.00 0.00 N ATOM 562 CA PRO A 314 -8.287 2.915 6.557 1.00 0.00 C ATOM 563 C PRO A 314 -8.829 2.573 5.169 1.00 0.00 C ATOM 564 O PRO A 314 -9.026 1.403 4.849 1.00 0.00 O ATOM 565 CB PRO A 314 -9.166 2.331 7.656 1.00 0.00 C ATOM 566 CG PRO A 314 -10.198 3.429 7.885 1.00 0.00 C ATOM 567 CD PRO A 314 -9.355 4.696 7.745 1.00 0.00 C ATOM 0 HA PRO A 314 -7.276 2.507 6.555 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -9.633 1.396 7.346 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -8.595 2.118 8.560 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -11.002 3.392 7.151 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -10.661 3.354 8.869 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -9.950 5.522 7.356 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -8.961 5.014 8.710 1.00 0.00 H new ATOM 575 N VAL A 315 -9.067 3.599 4.352 1.00 0.00 N ATOM 576 CA VAL A 315 -9.577 3.487 2.986 1.00 0.00 C ATOM 577 C VAL A 315 -8.671 2.686 2.049 1.00 0.00 C ATOM 578 O VAL A 315 -8.960 2.624 0.856 1.00 0.00 O ATOM 579 CB VAL A 315 -9.750 4.886 2.374 1.00 0.00 C ATOM 580 CG1 VAL A 315 -10.712 5.758 3.177 1.00 0.00 C ATOM 581 CG2 VAL A 315 -8.401 5.605 2.278 1.00 0.00 C ATOM 0 H VAL A 315 -8.904 4.566 4.634 1.00 0.00 H new ATOM 0 HA VAL A 315 -10.525 2.957 3.074 1.00 0.00 H new ATOM 0 HB VAL A 315 -10.169 4.736 1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -10.799 6.736 2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -11.692 5.282 3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -10.332 5.880 4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -8.546 6.594 1.842 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -7.971 5.707 3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -7.724 5.027 1.649 1.00 0.00 H new ATOM 591 N ARG A 316 -7.587 2.076 2.544 1.00 0.00 N ATOM 592 CA ARG A 316 -6.541 1.605 1.644 1.00 0.00 C ATOM 593 C ARG A 316 -5.982 0.213 1.913 1.00 0.00 C ATOM 594 O ARG A 316 -5.238 -0.282 1.072 1.00 0.00 O ATOM 595 CB ARG A 316 -5.402 2.627 1.674 1.00 0.00 C ATOM 596 CG ARG A 316 -4.688 2.660 3.029 1.00 0.00 C ATOM 597 CD ARG A 316 -3.546 3.670 2.934 1.00 0.00 C ATOM 598 NE ARG A 316 -2.602 3.539 4.048 1.00 0.00 N ATOM 599 CZ ARG A 316 -2.859 3.890 5.310 1.00 0.00 C ATOM 600 NH1 ARG A 316 -4.048 4.349 5.675 1.00 0.00 N ATOM 601 NH2 ARG A 316 -1.911 3.785 6.230 1.00 0.00 N ATOM 0 H ARG A 316 -7.418 1.903 3.535 1.00 0.00 H new ATOM 0 HA ARG A 316 -7.014 1.512 0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -4.682 2.388 0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -5.799 3.617 1.450 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -5.383 2.943 3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -4.303 1.672 3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -3.016 3.530 1.992 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -3.956 4.680 2.923 1.00 0.00 H new ATOM 0 HE ARG A 316 -1.681 3.151 3.844 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -4.793 4.441 4.985 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -4.218 4.610 6.646 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -0.987 3.437 5.973 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -2.105 4.053 7.195 1.00 0.00 H new ATOM 615 N VAL A 317 -6.297 -0.439 3.033 1.00 0.00 N ATOM 616 CA VAL A 317 -5.676 -1.733 3.308 1.00 0.00 C ATOM 617 C VAL A 317 -6.184 -2.831 2.382 1.00 0.00 C ATOM 618 O VAL A 317 -7.339 -2.831 1.957 1.00 0.00 O ATOM 619 CB VAL A 317 -5.851 -2.168 4.762 1.00 0.00 C ATOM 620 CG1 VAL A 317 -4.610 -1.700 5.517 1.00 0.00 C ATOM 621 CG2 VAL A 317 -7.135 -1.627 5.390 1.00 0.00 C ATOM 0 H VAL A 317 -6.953 -0.108 3.740 1.00 0.00 H new ATOM 0 HA VAL A 317 -4.613 -1.587 3.118 1.00 0.00 H new ATOM 0 HB VAL A 317 -5.951 -3.252 4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -4.691 -1.990 6.565 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -3.723 -2.160 5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.528 -0.615 5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -7.207 -1.968 6.423 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -7.120 -0.537 5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -7.996 -1.989 4.828 1.00 0.00 H new ATOM 631 N HIS A 318 -5.284 -3.771 2.081 1.00 0.00 N ATOM 632 CA HIS A 318 -5.554 -4.965 1.307 1.00 0.00 C ATOM 633 C HIS A 318 -4.492 -6.012 1.642 1.00 0.00 C ATOM 634 O HIS A 318 -3.464 -5.683 2.234 1.00 0.00 O ATOM 635 CB HIS A 318 -5.496 -4.617 -0.174 1.00 0.00 C ATOM 636 CG HIS A 318 -5.975 -5.746 -1.039 1.00 0.00 C ATOM 637 ND1 HIS A 318 -5.254 -6.418 -1.995 1.00 0.00 N ATOM 638 CD2 HIS A 318 -7.227 -6.293 -1.009 1.00 0.00 C ATOM 639 CE1 HIS A 318 -6.063 -7.347 -2.535 1.00 0.00 C ATOM 640 NE2 HIS A 318 -7.282 -7.312 -1.966 1.00 0.00 N ATOM 0 H HIS A 318 -4.313 -3.710 2.386 1.00 0.00 H new ATOM 0 HA HIS A 318 -6.542 -5.360 1.543 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -6.105 -3.733 -0.362 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -4.472 -4.362 -0.446 1.00 0.00 H new ATOM 0 HD1 HIS A 318 -4.282 -6.244 -2.249 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -8.035 -5.991 -0.359 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -5.773 -8.030 -3.320 1.00 0.00 H new ATOM 648 N ILE A 319 -4.733 -7.271 1.267 1.00 0.00 N ATOM 649 CA ILE A 319 -3.845 -8.374 1.613 1.00 0.00 C ATOM 650 C ILE A 319 -3.802 -9.366 0.454 1.00 0.00 C ATOM 651 O ILE A 319 -4.743 -9.450 -0.335 1.00 0.00 O ATOM 652 CB ILE A 319 -4.341 -9.019 2.919 1.00 0.00 C ATOM 653 CG1 ILE A 319 -4.333 -7.953 4.026 1.00 0.00 C ATOM 654 CG2 ILE A 319 -3.461 -10.205 3.322 1.00 0.00 C ATOM 655 CD1 ILE A 319 -4.776 -8.487 5.383 1.00 0.00 C ATOM 0 H ILE A 319 -5.546 -7.549 0.718 1.00 0.00 H new ATOM 0 HA ILE A 319 -2.827 -8.022 1.780 1.00 0.00 H new ATOM 0 HB ILE A 319 -5.352 -9.398 2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -3.328 -7.541 4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -4.989 -7.132 3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -3.837 -10.639 4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -3.482 -10.958 2.534 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -2.437 -9.864 3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -4.747 -7.682 6.118 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -5.793 -8.873 5.308 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -4.106 -9.288 5.695 1.00 0.00 H new ATOM 667 N GLU A 320 -2.705 -10.121 0.351 1.00 0.00 N ATOM 668 CA GLU A 320 -2.477 -11.048 -0.747 1.00 0.00 C ATOM 669 C GLU A 320 -1.901 -12.369 -0.226 1.00 0.00 C ATOM 670 O GLU A 320 -1.369 -12.427 0.883 1.00 0.00 O ATOM 671 CB GLU A 320 -1.551 -10.354 -1.753 1.00 0.00 C ATOM 672 CG GLU A 320 -1.237 -11.229 -2.963 1.00 0.00 C ATOM 673 CD GLU A 320 -0.504 -10.426 -4.036 1.00 0.00 C ATOM 674 OE1 GLU A 320 0.718 -10.212 -3.867 1.00 0.00 O ATOM 675 OE2 GLU A 320 -1.170 -10.032 -5.020 1.00 0.00 O ATOM 0 H GLU A 320 -1.948 -10.102 1.035 1.00 0.00 H new ATOM 0 HA GLU A 320 -3.412 -11.307 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -2.016 -9.428 -2.090 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -0.620 -10.081 -1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -0.625 -12.077 -2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -2.161 -11.635 -3.374 1.00 0.00 H new ATOM 817 N ALA A 331 1.156 -7.979 1.689 1.00 0.00 N ATOM 818 CA ALA A 331 0.152 -6.938 1.770 1.00 0.00 C ATOM 819 C ALA A 331 0.425 -5.832 0.763 1.00 0.00 C ATOM 820 O ALA A 331 1.531 -5.690 0.242 1.00 0.00 O ATOM 821 CB ALA A 331 0.113 -6.392 3.200 1.00 0.00 C ATOM 0 HA ALA A 331 -0.823 -7.358 1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -0.641 -5.608 3.270 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -0.137 -7.198 3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 331 1.089 -5.982 3.460 1.00 0.00 H new ATOM 827 N ASP A 332 -0.616 -5.048 0.501 1.00 0.00 N ATOM 828 CA ASP A 332 -0.542 -3.893 -0.371 1.00 0.00 C ATOM 829 C ASP A 332 -1.589 -2.875 0.062 1.00 0.00 C ATOM 830 O ASP A 332 -2.497 -3.202 0.828 1.00 0.00 O ATOM 831 CB ASP A 332 -0.755 -4.340 -1.819 1.00 0.00 C ATOM 832 CG ASP A 332 -2.171 -4.851 -2.076 1.00 0.00 C ATOM 833 OD1 ASP A 332 -2.425 -6.039 -1.780 1.00 0.00 O ATOM 834 OD2 ASP A 332 -2.990 -4.045 -2.568 1.00 0.00 O ATOM 0 H ASP A 332 -1.544 -5.203 0.896 1.00 0.00 H new ATOM 0 HA ASP A 332 0.439 -3.423 -0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -0.548 -3.504 -2.487 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -0.040 -5.126 -2.061 1.00 0.00 H new ATOM 839 N VAL A 333 -1.468 -1.638 -0.424 1.00 0.00 N ATOM 840 CA VAL A 333 -2.404 -0.588 -0.062 1.00 0.00 C ATOM 841 C VAL A 333 -2.769 0.271 -1.265 1.00 0.00 C ATOM 842 O VAL A 333 -2.100 0.234 -2.296 1.00 0.00 O ATOM 843 CB VAL A 333 -1.831 0.273 1.072 1.00 0.00 C ATOM 844 CG1 VAL A 333 -1.615 -0.550 2.341 1.00 0.00 C ATOM 845 CG2 VAL A 333 -0.503 0.909 0.667 1.00 0.00 C ATOM 0 H VAL A 333 -0.732 -1.346 -1.067 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.320 -1.061 0.292 1.00 0.00 H new ATOM 0 HB VAL A 333 -2.562 1.056 1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.208 0.089 3.125 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -2.567 -0.967 2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -0.916 -1.360 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.122 1.513 1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 333 0.217 0.127 0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -0.655 1.542 -0.207 1.00 0.00 H new ATOM 855 N GLU A 334 -3.843 1.052 -1.122 1.00 0.00 N ATOM 856 CA GLU A 334 -4.375 1.903 -2.176 1.00 0.00 C ATOM 857 C GLU A 334 -4.768 3.266 -1.602 1.00 0.00 C ATOM 858 O GLU A 334 -5.947 3.560 -1.402 1.00 0.00 O ATOM 859 CB GLU A 334 -5.547 1.199 -2.864 1.00 0.00 C ATOM 860 CG GLU A 334 -5.952 1.951 -4.131 1.00 0.00 C ATOM 861 CD GLU A 334 -7.114 1.257 -4.837 1.00 0.00 C ATOM 862 OE1 GLU A 334 -6.913 0.112 -5.300 1.00 0.00 O ATOM 863 OE2 GLU A 334 -8.199 1.877 -4.909 1.00 0.00 O ATOM 0 H GLU A 334 -4.373 1.108 -0.252 1.00 0.00 H new ATOM 0 HA GLU A 334 -3.611 2.082 -2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -5.268 0.176 -3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -6.395 1.140 -2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -6.236 2.972 -3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -5.099 2.016 -4.807 1.00 0.00 H new ATOM 870 N PHE A 335 -3.756 4.097 -1.339 1.00 0.00 N ATOM 871 CA PHE A 335 -3.917 5.449 -0.829 1.00 0.00 C ATOM 872 C PHE A 335 -4.902 6.256 -1.669 1.00 0.00 C ATOM 873 O PHE A 335 -4.991 6.092 -2.890 1.00 0.00 O ATOM 874 CB PHE A 335 -2.559 6.143 -0.867 1.00 0.00 C ATOM 875 CG PHE A 335 -1.535 5.512 0.043 1.00 0.00 C ATOM 876 CD1 PHE A 335 -1.557 5.791 1.416 1.00 0.00 C ATOM 877 CD2 PHE A 335 -0.561 4.649 -0.482 1.00 0.00 C ATOM 878 CE1 PHE A 335 -0.604 5.210 2.262 1.00 0.00 C ATOM 879 CE2 PHE A 335 0.389 4.069 0.368 1.00 0.00 C ATOM 880 CZ PHE A 335 0.369 4.350 1.739 1.00 0.00 C ATOM 0 H PHE A 335 -2.780 3.836 -1.480 1.00 0.00 H new ATOM 0 HA PHE A 335 -4.307 5.390 0.187 1.00 0.00 H new ATOM 0 HB2 PHE A 335 -2.182 6.130 -1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 335 -2.686 7.189 -0.588 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -2.308 6.453 1.821 1.00 0.00 H new ATOM 0 HD2 PHE A 335 -0.544 4.432 -1.540 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -0.620 5.426 3.320 1.00 0.00 H new ATOM 0 HE2 PHE A 335 1.138 3.404 -0.035 1.00 0.00 H new ATOM 0 HZ PHE A 335 1.104 3.904 2.393 1.00 0.00 H new ATOM 890 N ALA A 336 -5.641 7.134 -0.989 1.00 0.00 N ATOM 891 CA ALA A 336 -6.465 8.130 -1.642 1.00 0.00 C ATOM 892 C ALA A 336 -5.525 9.207 -2.188 1.00 0.00 C ATOM 893 O ALA A 336 -4.987 10.012 -1.428 1.00 0.00 O ATOM 894 CB ALA A 336 -7.471 8.692 -0.635 1.00 0.00 C ATOM 0 H ALA A 336 -5.679 7.168 0.030 1.00 0.00 H new ATOM 0 HA ALA A 336 -7.041 7.710 -2.466 1.00 0.00 H new ATOM 0 HB1 ALA A 336 -8.093 9.442 -1.123 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -8.101 7.885 -0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 336 -6.936 9.150 0.197 1.00 0.00 H new ATOM 900 N THR A 337 -5.337 9.206 -3.511 1.00 0.00 N ATOM 901 CA THR A 337 -4.424 10.083 -4.238 1.00 0.00 C ATOM 902 C THR A 337 -2.970 9.854 -3.837 1.00 0.00 C ATOM 903 O THR A 337 -2.668 9.269 -2.797 1.00 0.00 O ATOM 904 CB THR A 337 -4.804 11.563 -4.129 1.00 0.00 C ATOM 905 OG1 THR A 337 -4.543 12.070 -2.843 1.00 0.00 O ATOM 906 CG2 THR A 337 -6.273 11.789 -4.477 1.00 0.00 C ATOM 0 H THR A 337 -5.839 8.567 -4.127 1.00 0.00 H new ATOM 0 HA THR A 337 -4.525 9.811 -5.289 1.00 0.00 H new ATOM 0 HB THR A 337 -4.185 12.099 -4.849 1.00 0.00 H new ATOM 0 HG1 THR A 337 -4.287 11.335 -2.247 1.00 0.00 H new ATOM 0 HG21 THR A 337 -6.509 12.850 -4.389 1.00 0.00 H new ATOM 0 HG22 THR A 337 -6.460 11.459 -5.499 1.00 0.00 H new ATOM 0 HG23 THR A 337 -6.901 11.220 -3.791 1.00 0.00 H new ATOM 914 N HIS A 338 -2.054 10.329 -4.682 1.00 0.00 N ATOM 915 CA HIS A 338 -0.634 10.222 -4.410 1.00 0.00 C ATOM 916 C HIS A 338 -0.255 11.096 -3.215 1.00 0.00 C ATOM 917 O HIS A 338 0.820 10.934 -2.644 1.00 0.00 O ATOM 918 CB HIS A 338 0.130 10.643 -5.664 1.00 0.00 C ATOM 919 CG HIS A 338 1.616 10.449 -5.550 1.00 0.00 C ATOM 920 ND1 HIS A 338 2.284 9.246 -5.502 1.00 0.00 N ATOM 921 CD2 HIS A 338 2.554 11.441 -5.477 1.00 0.00 C ATOM 922 CE1 HIS A 338 3.599 9.515 -5.415 1.00 0.00 C ATOM 923 NE2 HIS A 338 3.818 10.843 -5.404 1.00 0.00 N ATOM 0 H HIS A 338 -2.279 10.792 -5.562 1.00 0.00 H new ATOM 0 HA HIS A 338 -0.376 9.194 -4.157 1.00 0.00 H new ATOM 0 HB2 HIS A 338 -0.240 10.071 -6.515 1.00 0.00 H new ATOM 0 HB3 HIS A 338 -0.077 11.693 -5.872 1.00 0.00 H new ATOM 0 HD2 HIS A 338 2.355 12.502 -5.476 1.00 0.00 H new ATOM 0 HE1 HIS A 338 4.375 8.766 -5.361 1.00 0.00 H new ATOM 0 HE2 HIS A 338 4.720 11.317 -5.353 1.00 0.00 H new ATOM 931 N GLU A 339 -1.134 12.025 -2.830 1.00 0.00 N ATOM 932 CA GLU A 339 -0.885 12.919 -1.712 1.00 0.00 C ATOM 933 C GLU A 339 -0.918 12.163 -0.389 1.00 0.00 C ATOM 934 O GLU A 339 -0.074 12.406 0.470 1.00 0.00 O ATOM 935 CB GLU A 339 -1.929 14.032 -1.715 1.00 0.00 C ATOM 936 CG GLU A 339 -1.712 14.895 -2.954 1.00 0.00 C ATOM 937 CD GLU A 339 -2.726 16.036 -3.022 1.00 0.00 C ATOM 938 OE1 GLU A 339 -2.556 17.009 -2.253 1.00 0.00 O ATOM 939 OE2 GLU A 339 -3.666 15.928 -3.842 1.00 0.00 O ATOM 0 H GLU A 339 -2.034 12.173 -3.287 1.00 0.00 H new ATOM 0 HA GLU A 339 0.109 13.352 -1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 339 -2.934 13.609 -1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 339 -1.841 14.636 -0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 339 -0.702 15.304 -2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 339 -1.796 14.278 -3.849 1.00 0.00 H new ATOM 946 N GLU A 340 -1.876 11.248 -0.208 1.00 0.00 N ATOM 947 CA GLU A 340 -1.863 10.409 0.984 1.00 0.00 C ATOM 948 C GLU A 340 -0.714 9.407 0.893 1.00 0.00 C ATOM 949 O GLU A 340 -0.172 8.992 1.918 1.00 0.00 O ATOM 950 CB GLU A 340 -3.200 9.683 1.147 1.00 0.00 C ATOM 951 CG GLU A 340 -4.353 10.659 1.401 1.00 0.00 C ATOM 952 CD GLU A 340 -4.261 11.320 2.775 1.00 0.00 C ATOM 953 OE1 GLU A 340 -3.509 12.313 2.896 1.00 0.00 O ATOM 954 OE2 GLU A 340 -4.948 10.826 3.696 1.00 0.00 O ATOM 0 H GLU A 340 -2.647 11.075 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 340 -1.715 11.040 1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 340 -3.409 9.101 0.250 1.00 0.00 H new ATOM 0 HB3 GLU A 340 -3.132 8.978 1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 340 -4.351 11.429 0.629 1.00 0.00 H new ATOM 0 HG3 GLU A 340 -5.301 10.127 1.319 1.00 0.00 H new ATOM 961 N ALA A 341 -0.331 9.011 -0.327 1.00 0.00 N ATOM 962 CA ALA A 341 0.760 8.063 -0.498 1.00 0.00 C ATOM 963 C ALA A 341 2.085 8.660 -0.015 1.00 0.00 C ATOM 964 O ALA A 341 2.851 7.982 0.667 1.00 0.00 O ATOM 965 CB ALA A 341 0.844 7.640 -1.966 1.00 0.00 C ATOM 0 H ALA A 341 -0.758 9.331 -1.196 1.00 0.00 H new ATOM 0 HA ALA A 341 0.563 7.180 0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 341 1.661 6.930 -2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 341 -0.094 7.171 -2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 341 1.025 8.517 -2.588 1.00 0.00 H new ATOM 971 N VAL A 342 2.370 9.922 -0.357 1.00 0.00 N ATOM 972 CA VAL A 342 3.585 10.576 0.117 1.00 0.00 C ATOM 973 C VAL A 342 3.427 11.053 1.560 1.00 0.00 C ATOM 974 O VAL A 342 4.425 11.240 2.251 1.00 0.00 O ATOM 975 CB VAL A 342 3.972 11.757 -0.779 1.00 0.00 C ATOM 976 CG1 VAL A 342 4.166 11.284 -2.218 1.00 0.00 C ATOM 977 CG2 VAL A 342 2.920 12.864 -0.745 1.00 0.00 C ATOM 0 H VAL A 342 1.780 10.502 -0.954 1.00 0.00 H new ATOM 0 HA VAL A 342 4.383 9.835 0.077 1.00 0.00 H new ATOM 0 HB VAL A 342 4.906 12.165 -0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 342 4.441 12.132 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 342 4.958 10.536 -2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 342 3.238 10.846 -2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 342 3.232 13.683 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 342 1.965 12.470 -1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 342 2.811 13.231 0.276 1.00 0.00 H new ATOM 987 N ALA A 343 2.187 11.250 2.023 1.00 0.00 N ATOM 988 CA ALA A 343 1.932 11.626 3.404 1.00 0.00 C ATOM 989 C ALA A 343 2.200 10.447 4.340 1.00 0.00 C ATOM 990 O ALA A 343 2.198 10.613 5.559 1.00 0.00 O ATOM 991 CB ALA A 343 0.490 12.106 3.556 1.00 0.00 C ATOM 0 H ALA A 343 1.347 11.153 1.453 1.00 0.00 H new ATOM 0 HA ALA A 343 2.606 12.439 3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 343 0.307 12.386 4.593 1.00 0.00 H new ATOM 0 HB2 ALA A 343 0.324 12.970 2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 343 -0.192 11.305 3.271 1.00 0.00 H new ATOM 997 N ALA A 344 2.433 9.260 3.772 1.00 0.00 N ATOM 998 CA ALA A 344 2.796 8.083 4.542 1.00 0.00 C ATOM 999 C ALA A 344 4.129 7.486 4.089 1.00 0.00 C ATOM 1000 O ALA A 344 4.595 6.511 4.679 1.00 0.00 O ATOM 1001 CB ALA A 344 1.671 7.063 4.441 1.00 0.00 C ATOM 0 H ALA A 344 2.374 9.096 2.767 1.00 0.00 H new ATOM 0 HA ALA A 344 2.933 8.375 5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 344 1.933 6.175 5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 344 0.752 7.494 4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 344 1.521 6.789 3.397 1.00 0.00 H new ATOM 1007 N MET A 345 4.755 8.054 3.053 1.00 0.00 N ATOM 1008 CA MET A 345 6.084 7.636 2.623 1.00 0.00 C ATOM 1009 C MET A 345 7.132 8.099 3.635 1.00 0.00 C ATOM 1010 O MET A 345 7.741 9.157 3.484 1.00 0.00 O ATOM 1011 CB MET A 345 6.370 8.148 1.208 1.00 0.00 C ATOM 1012 CG MET A 345 7.819 7.888 0.783 1.00 0.00 C ATOM 1013 SD MET A 345 8.536 6.302 1.298 1.00 0.00 S ATOM 1014 CE MET A 345 7.425 5.144 0.463 1.00 0.00 C ATOM 0 H MET A 345 4.355 8.809 2.496 1.00 0.00 H new ATOM 0 HA MET A 345 6.130 6.548 2.584 1.00 0.00 H new ATOM 0 HB2 MET A 345 5.694 7.663 0.504 1.00 0.00 H new ATOM 0 HB3 MET A 345 6.165 9.218 1.162 1.00 0.00 H new ATOM 0 HG2 MET A 345 7.873 7.951 -0.304 1.00 0.00 H new ATOM 0 HG3 MET A 345 8.441 8.690 1.180 1.00 0.00 H new ATOM 0 HE1 MET A 345 7.832 4.135 0.532 1.00 0.00 H new ATOM 0 HE2 MET A 345 6.445 5.173 0.939 1.00 0.00 H new ATOM 0 HE3 MET A 345 7.328 5.425 -0.586 1.00 0.00 H new ATOM 1024 N SER A 346 7.334 7.289 4.676 1.00 0.00 N ATOM 1025 CA SER A 346 8.330 7.540 5.709 1.00 0.00 C ATOM 1026 C SER A 346 8.793 6.226 6.340 1.00 0.00 C ATOM 1027 O SER A 346 9.365 6.235 7.429 1.00 0.00 O ATOM 1028 CB SER A 346 7.735 8.466 6.771 1.00 0.00 C ATOM 1029 OG SER A 346 6.623 7.852 7.390 1.00 0.00 O ATOM 0 H SER A 346 6.802 6.431 4.823 1.00 0.00 H new ATOM 0 HA SER A 346 9.199 8.021 5.260 1.00 0.00 H new ATOM 0 HB2 SER A 346 8.491 8.705 7.520 1.00 0.00 H new ATOM 0 HB3 SER A 346 7.431 9.407 6.313 1.00 0.00 H new ATOM 0 HG SER A 346 6.253 8.454 8.069 1.00 0.00 H new ATOM 1035 N LYS A 347 8.548 5.097 5.661 1.00 0.00 N ATOM 1036 CA LYS A 347 8.817 3.768 6.204 1.00 0.00 C ATOM 1037 C LYS A 347 9.464 2.846 5.171 1.00 0.00 C ATOM 1038 O LYS A 347 9.457 1.633 5.372 1.00 0.00 O ATOM 1039 CB LYS A 347 7.507 3.148 6.712 1.00 0.00 C ATOM 1040 CG LYS A 347 6.872 3.929 7.864 1.00 0.00 C ATOM 1041 CD LYS A 347 7.749 3.890 9.118 1.00 0.00 C ATOM 1042 CE LYS A 347 7.056 4.620 10.267 1.00 0.00 C ATOM 1043 NZ LYS A 347 6.827 6.042 9.942 1.00 0.00 N ATOM 0 H LYS A 347 8.157 5.085 4.719 1.00 0.00 H new ATOM 0 HA LYS A 347 9.522 3.880 7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 347 6.797 3.090 5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 347 7.700 2.126 7.038 1.00 0.00 H new ATOM 0 HG2 LYS A 347 6.715 4.964 7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 347 5.891 3.511 8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 347 7.947 2.856 9.401 1.00 0.00 H new ATOM 0 HD3 LYS A 347 8.713 4.354 8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 347 6.103 4.137 10.485 1.00 0.00 H new ATOM 0 HE3 LYS A 347 7.665 4.545 11.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 6.595 6.564 10.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 7.686 6.443 9.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 6.037 6.122 9.270 1.00 0.00 H new ATOM 1057 N ASP A 348 10.011 3.415 4.086 1.00 0.00 N ATOM 1058 CA ASP A 348 10.624 2.721 2.948 1.00 0.00 C ATOM 1059 C ASP A 348 10.957 1.255 3.230 1.00 0.00 C ATOM 1060 O ASP A 348 10.423 0.368 2.569 1.00 0.00 O ATOM 1061 CB ASP A 348 11.865 3.507 2.531 1.00 0.00 C ATOM 1062 CG ASP A 348 12.526 2.907 1.295 1.00 0.00 C ATOM 1063 OD1 ASP A 348 12.100 3.272 0.177 1.00 0.00 O ATOM 1064 OD2 ASP A 348 13.451 2.088 1.486 1.00 0.00 O ATOM 0 H ASP A 348 10.038 4.429 3.975 1.00 0.00 H new ATOM 0 HA ASP A 348 9.899 2.686 2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 348 11.589 4.542 2.329 1.00 0.00 H new ATOM 0 HB3 ASP A 348 12.579 3.522 3.354 1.00 0.00 H new ATOM 1069 N ARG A 349 11.831 0.992 4.204 1.00 0.00 N ATOM 1070 CA ARG A 349 12.117 -0.357 4.678 1.00 0.00 C ATOM 1071 C ARG A 349 12.514 -0.273 6.152 1.00 0.00 C ATOM 1072 O ARG A 349 13.474 -0.895 6.600 1.00 0.00 O ATOM 1073 CB ARG A 349 13.106 -1.068 3.753 1.00 0.00 C ATOM 1074 CG ARG A 349 14.471 -0.395 3.661 1.00 0.00 C ATOM 1075 CD ARG A 349 15.018 -0.782 2.293 1.00 0.00 C ATOM 1076 NE ARG A 349 16.446 -0.473 2.165 1.00 0.00 N ATOM 1077 CZ ARG A 349 16.941 0.691 1.736 1.00 0.00 C ATOM 1078 NH1 ARG A 349 16.140 1.700 1.395 1.00 0.00 N ATOM 1079 NH2 ARG A 349 18.258 0.854 1.645 1.00 0.00 N ATOM 0 H ARG A 349 12.362 1.717 4.687 1.00 0.00 H new ATOM 0 HA ARG A 349 11.235 -0.997 4.635 1.00 0.00 H new ATOM 0 HB2 ARG A 349 13.241 -2.092 4.102 1.00 0.00 H new ATOM 0 HB3 ARG A 349 12.674 -1.126 2.754 1.00 0.00 H new ATOM 0 HG2 ARG A 349 14.383 0.687 3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 349 15.131 -0.734 4.459 1.00 0.00 H new ATOM 0 HD2 ARG A 349 14.862 -1.848 2.128 1.00 0.00 H new ATOM 0 HD3 ARG A 349 14.462 -0.255 1.518 1.00 0.00 H new ATOM 0 HE ARG A 349 17.111 -1.202 2.423 1.00 0.00 H new ATOM 0 HH11 ARG A 349 15.128 1.592 1.459 1.00 0.00 H new ATOM 0 HH12 ARG A 349 16.539 2.581 1.070 1.00 0.00 H new ATOM 0 HH21 ARG A 349 18.885 0.092 1.902 1.00 0.00 H new ATOM 0 HH22 ARG A 349 18.641 1.741 1.318 1.00 0.00 H new ATOM 1093 N ALA A 350 11.728 0.528 6.882 1.00 0.00 N ATOM 1094 CA ALA A 350 11.836 0.795 8.308 1.00 0.00 C ATOM 1095 C ALA A 350 11.543 -0.457 9.143 1.00 0.00 C ATOM 1096 O ALA A 350 11.723 -1.579 8.676 1.00 0.00 O ATOM 1097 CB ALA A 350 10.846 1.914 8.646 1.00 0.00 C ATOM 0 H ALA A 350 10.952 1.036 6.458 1.00 0.00 H new ATOM 0 HA ALA A 350 12.856 1.097 8.548 1.00 0.00 H new ATOM 0 HB1 ALA A 350 10.902 2.140 9.711 1.00 0.00 H new ATOM 0 HB2 ALA A 350 11.096 2.807 8.073 1.00 0.00 H new ATOM 0 HB3 ALA A 350 9.835 1.593 8.395 1.00 0.00 H new ATOM 1103 N ASN A 351 11.089 -0.270 10.385 1.00 0.00 N ATOM 1104 CA ASN A 351 10.779 -1.371 11.285 1.00 0.00 C ATOM 1105 C ASN A 351 9.384 -1.191 11.882 1.00 0.00 C ATOM 1106 O ASN A 351 8.798 -0.112 11.802 1.00 0.00 O ATOM 1107 CB ASN A 351 11.842 -1.446 12.386 1.00 0.00 C ATOM 1108 CG ASN A 351 13.235 -1.679 11.818 1.00 0.00 C ATOM 1109 OD1 ASN A 351 13.942 -0.735 11.480 1.00 0.00 O ATOM 1110 ND2 ASN A 351 13.638 -2.941 11.709 1.00 0.00 N ATOM 0 H ASN A 351 10.928 0.652 10.790 1.00 0.00 H new ATOM 0 HA ASN A 351 10.786 -2.308 10.728 1.00 0.00 H new ATOM 0 HB2 ASN A 351 11.835 -0.520 12.961 1.00 0.00 H new ATOM 0 HB3 ASN A 351 11.593 -2.252 13.077 1.00 0.00 H new ATOM 0 HD21 ASN A 351 14.563 -3.150 11.334 1.00 0.00 H new ATOM 0 HD22 ASN A 351 13.022 -3.700 12.001 1.00 0.00 H new ATOM 1117 N MET A 352 8.855 -2.261 12.484 1.00 0.00 N ATOM 1118 CA MET A 352 7.520 -2.272 13.066 1.00 0.00 C ATOM 1119 C MET A 352 7.453 -3.341 14.153 1.00 0.00 C ATOM 1120 O MET A 352 7.003 -3.071 15.265 1.00 0.00 O ATOM 1121 CB MET A 352 6.528 -2.588 11.947 1.00 0.00 C ATOM 1122 CG MET A 352 5.087 -2.611 12.446 1.00 0.00 C ATOM 1123 SD MET A 352 3.904 -2.982 11.124 1.00 0.00 S ATOM 1124 CE MET A 352 2.369 -2.957 12.081 1.00 0.00 C ATOM 0 H MET A 352 9.350 -3.148 12.579 1.00 0.00 H new ATOM 0 HA MET A 352 7.280 -1.308 13.515 1.00 0.00 H new ATOM 0 HB2 MET A 352 6.625 -1.844 11.156 1.00 0.00 H new ATOM 0 HB3 MET A 352 6.774 -3.555 11.507 1.00 0.00 H new ATOM 0 HG2 MET A 352 4.991 -3.356 13.236 1.00 0.00 H new ATOM 0 HG3 MET A 352 4.843 -1.645 12.888 1.00 0.00 H new ATOM 0 HE1 MET A 352 1.520 -3.097 11.411 1.00 0.00 H new ATOM 0 HE2 MET A 352 2.386 -3.760 12.818 1.00 0.00 H new ATOM 0 HE3 MET A 352 2.274 -1.999 12.591 1.00 0.00 H new ATOM 1134 N GLN A 353 7.905 -4.555 13.822 1.00 0.00 N ATOM 1135 CA GLN A 353 8.042 -5.654 14.766 1.00 0.00 C ATOM 1136 C GLN A 353 8.828 -6.786 14.124 1.00 0.00 C ATOM 1137 O GLN A 353 8.721 -6.990 12.916 1.00 0.00 O ATOM 1138 CB GLN A 353 6.677 -6.202 15.171 1.00 0.00 C ATOM 1139 CG GLN A 353 5.946 -6.848 13.995 1.00 0.00 C ATOM 1140 CD GLN A 353 4.511 -7.144 14.395 1.00 0.00 C ATOM 1141 OE1 GLN A 353 4.043 -8.274 14.299 1.00 0.00 O ATOM 1142 NE2 GLN A 353 3.806 -6.112 14.850 1.00 0.00 N ATOM 0 H GLN A 353 8.189 -4.799 12.873 1.00 0.00 H new ATOM 0 HA GLN A 353 8.558 -5.273 15.647 1.00 0.00 H new ATOM 0 HB2 GLN A 353 6.803 -6.936 15.967 1.00 0.00 H new ATOM 0 HB3 GLN A 353 6.068 -5.394 15.576 1.00 0.00 H new ATOM 0 HG2 GLN A 353 5.965 -6.183 13.131 1.00 0.00 H new ATOM 0 HG3 GLN A 353 6.450 -7.768 13.700 1.00 0.00 H new ATOM 0 HE21 GLN A 353 4.236 -5.189 14.913 1.00 0.00 H new ATOM 0 HE22 GLN A 353 2.836 -6.244 15.136 1.00 0.00 H new ATOM 1151 N HIS A 354 9.602 -7.504 14.942 1.00 0.00 N ATOM 1152 CA HIS A 354 10.301 -8.739 14.598 1.00 0.00 C ATOM 1153 C HIS A 354 11.170 -8.718 13.323 1.00 0.00 C ATOM 1154 O HIS A 354 11.871 -9.692 13.056 1.00 0.00 O ATOM 1155 CB HIS A 354 9.230 -9.832 14.588 1.00 0.00 C ATOM 1156 CG HIS A 354 9.659 -11.127 13.959 1.00 0.00 C ATOM 1157 ND1 HIS A 354 10.358 -12.150 14.555 1.00 0.00 N ATOM 1158 CD2 HIS A 354 9.418 -11.496 12.666 1.00 0.00 C ATOM 1159 CE1 HIS A 354 10.532 -13.114 13.633 1.00 0.00 C ATOM 1160 NE2 HIS A 354 9.974 -12.763 12.460 1.00 0.00 N ATOM 0 H HIS A 354 9.764 -7.224 15.909 1.00 0.00 H new ATOM 0 HA HIS A 354 11.072 -8.921 15.346 1.00 0.00 H new ATOM 0 HB2 HIS A 354 8.921 -10.028 15.615 1.00 0.00 H new ATOM 0 HB3 HIS A 354 8.354 -9.459 14.057 1.00 0.00 H new ATOM 0 HD2 HIS A 354 8.889 -10.910 11.929 1.00 0.00 H new ATOM 0 HE1 HIS A 354 11.050 -14.045 13.810 1.00 0.00 H new ATOM 0 HE2 HIS A 354 9.959 -13.308 11.598 1.00 0.00 H new ATOM 1168 N ARG A 355 11.145 -7.641 12.531 1.00 0.00 N ATOM 1169 CA ARG A 355 11.878 -7.544 11.274 1.00 0.00 C ATOM 1170 C ARG A 355 11.931 -6.083 10.826 1.00 0.00 C ATOM 1171 O ARG A 355 11.785 -5.177 11.645 1.00 0.00 O ATOM 1172 CB ARG A 355 11.179 -8.407 10.212 1.00 0.00 C ATOM 1173 CG ARG A 355 12.193 -9.217 9.403 1.00 0.00 C ATOM 1174 CD ARG A 355 12.770 -10.386 10.198 1.00 0.00 C ATOM 1175 NE ARG A 355 13.578 -11.250 9.328 1.00 0.00 N ATOM 1176 CZ ARG A 355 14.157 -12.383 9.730 1.00 0.00 C ATOM 1177 NH1 ARG A 355 14.037 -12.798 10.990 1.00 0.00 N ATOM 1178 NH2 ARG A 355 14.863 -13.111 8.868 1.00 0.00 N ATOM 0 H ARG A 355 10.607 -6.803 12.752 1.00 0.00 H new ATOM 0 HA ARG A 355 12.897 -7.906 11.409 1.00 0.00 H new ATOM 0 HB2 ARG A 355 10.473 -9.082 10.695 1.00 0.00 H new ATOM 0 HB3 ARG A 355 10.602 -7.769 9.543 1.00 0.00 H new ATOM 0 HG2 ARG A 355 11.714 -9.596 8.500 1.00 0.00 H new ATOM 0 HG3 ARG A 355 13.004 -8.563 9.083 1.00 0.00 H new ATOM 0 HD2 ARG A 355 13.383 -10.009 11.017 1.00 0.00 H new ATOM 0 HD3 ARG A 355 11.961 -10.964 10.645 1.00 0.00 H new ATOM 0 HE ARG A 355 13.704 -10.967 8.356 1.00 0.00 H new ATOM 0 HH11 ARG A 355 13.498 -12.248 11.659 1.00 0.00 H new ATOM 0 HH12 ARG A 355 14.484 -13.666 11.286 1.00 0.00 H new ATOM 0 HH21 ARG A 355 14.961 -12.803 7.901 1.00 0.00 H new ATOM 0 HH22 ARG A 355 15.306 -13.977 9.175 1.00 0.00 H new ATOM 1192 N TYR A 356 12.139 -5.854 9.526 1.00 0.00 N ATOM 1193 CA TYR A 356 12.203 -4.526 8.941 1.00 0.00 C ATOM 1194 C TYR A 356 11.086 -4.334 7.906 1.00 0.00 C ATOM 1195 O TYR A 356 11.330 -4.292 6.702 1.00 0.00 O ATOM 1196 CB TYR A 356 13.630 -4.223 8.449 1.00 0.00 C ATOM 1197 CG TYR A 356 14.155 -4.870 7.177 1.00 0.00 C ATOM 1198 CD1 TYR A 356 14.744 -6.149 7.185 1.00 0.00 C ATOM 1199 CD2 TYR A 356 14.068 -4.161 5.969 1.00 0.00 C ATOM 1200 CE1 TYR A 356 15.301 -6.675 6.010 1.00 0.00 C ATOM 1201 CE2 TYR A 356 14.600 -4.689 4.784 1.00 0.00 C ATOM 1202 CZ TYR A 356 15.237 -5.947 4.806 1.00 0.00 C ATOM 1203 OH TYR A 356 15.787 -6.456 3.668 1.00 0.00 O ATOM 0 H TYR A 356 12.269 -6.603 8.846 1.00 0.00 H new ATOM 0 HA TYR A 356 12.004 -3.767 9.698 1.00 0.00 H new ATOM 0 HB2 TYR A 356 13.704 -3.144 8.316 1.00 0.00 H new ATOM 0 HB3 TYR A 356 14.313 -4.493 9.254 1.00 0.00 H new ATOM 0 HD1 TYR A 356 14.767 -6.726 8.098 1.00 0.00 H new ATOM 0 HD2 TYR A 356 13.585 -3.195 5.952 1.00 0.00 H new ATOM 0 HE1 TYR A 356 15.781 -7.642 6.029 1.00 0.00 H new ATOM 0 HE2 TYR A 356 14.522 -4.136 3.860 1.00 0.00 H new ATOM 0 HH TYR A 356 15.653 -5.826 2.930 1.00 0.00 H new ATOM 1213 N ILE A 357 9.839 -4.218 8.390 1.00 0.00 N ATOM 1214 CA ILE A 357 8.652 -4.121 7.543 1.00 0.00 C ATOM 1215 C ILE A 357 8.835 -3.005 6.526 1.00 0.00 C ATOM 1216 O ILE A 357 9.538 -2.029 6.787 1.00 0.00 O ATOM 1217 CB ILE A 357 7.384 -3.906 8.373 1.00 0.00 C ATOM 1218 CG1 ILE A 357 7.137 -5.057 9.358 1.00 0.00 C ATOM 1219 CG2 ILE A 357 6.199 -3.792 7.410 1.00 0.00 C ATOM 1220 CD1 ILE A 357 6.935 -6.399 8.661 1.00 0.00 C ATOM 0 H ILE A 357 9.631 -4.189 9.388 1.00 0.00 H new ATOM 0 HA ILE A 357 8.530 -5.066 7.013 1.00 0.00 H new ATOM 0 HB ILE A 357 7.503 -2.997 8.963 1.00 0.00 H new ATOM 0 HG12 ILE A 357 7.983 -5.132 10.042 1.00 0.00 H new ATOM 0 HG13 ILE A 357 6.258 -4.830 9.961 1.00 0.00 H new ATOM 0 HG21 ILE A 357 5.282 -3.638 7.978 1.00 0.00 H new ATOM 0 HG22 ILE A 357 6.356 -2.948 6.739 1.00 0.00 H new ATOM 0 HG23 ILE A 357 6.115 -4.709 6.827 1.00 0.00 H new ATOM 0 HD11 ILE A 357 6.765 -7.175 9.408 1.00 0.00 H new ATOM 0 HD12 ILE A 357 6.072 -6.338 7.998 1.00 0.00 H new ATOM 0 HD13 ILE A 357 7.824 -6.644 8.079 1.00 0.00 H new ATOM 1232 N GLU A 358 8.205 -3.138 5.358 1.00 0.00 N ATOM 1233 CA GLU A 358 8.687 -2.360 4.235 1.00 0.00 C ATOM 1234 C GLU A 358 7.613 -2.127 3.185 1.00 0.00 C ATOM 1235 O GLU A 358 6.647 -2.878 3.121 1.00 0.00 O ATOM 1236 CB GLU A 358 9.853 -3.187 3.702 1.00 0.00 C ATOM 1237 CG GLU A 358 10.196 -2.979 2.239 1.00 0.00 C ATOM 1238 CD GLU A 358 9.237 -3.741 1.316 1.00 0.00 C ATOM 1239 OE1 GLU A 358 9.098 -4.967 1.512 1.00 0.00 O ATOM 1240 OE2 GLU A 358 8.647 -3.096 0.419 1.00 0.00 O ATOM 0 H GLU A 358 7.405 -3.744 5.176 1.00 0.00 H new ATOM 0 HA GLU A 358 8.986 -1.352 4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 358 10.737 -2.961 4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 358 9.626 -4.242 3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 358 10.158 -1.915 2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 358 11.218 -3.310 2.055 1.00 0.00 H new ATOM 1247 N LEU A 359 7.787 -1.085 2.364 1.00 0.00 N ATOM 1248 CA LEU A 359 6.842 -0.737 1.316 1.00 0.00 C ATOM 1249 C LEU A 359 7.531 0.015 0.173 1.00 0.00 C ATOM 1250 O LEU A 359 8.394 0.862 0.397 1.00 0.00 O ATOM 1251 CB LEU A 359 5.653 0.018 1.930 1.00 0.00 C ATOM 1252 CG LEU A 359 5.918 1.386 2.581 1.00 0.00 C ATOM 1253 CD1 LEU A 359 7.212 1.486 3.377 1.00 0.00 C ATOM 1254 CD2 LEU A 359 5.884 2.521 1.563 1.00 0.00 C ATOM 0 H LEU A 359 8.593 -0.462 2.414 1.00 0.00 H new ATOM 0 HA LEU A 359 6.444 -1.643 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.909 0.161 1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 359 5.202 -0.628 2.684 1.00 0.00 H new ATOM 0 HG LEU A 359 5.098 1.486 3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 359 7.306 2.488 3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 359 7.199 0.755 4.186 1.00 0.00 H new ATOM 0 HD13 LEU A 359 8.059 1.286 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 359 6.076 3.468 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 359 6.648 2.352 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 359 4.903 2.555 1.089 1.00 0.00 H new ATOM 1266 N PHE A 360 7.142 -0.304 -1.066 1.00 0.00 N ATOM 1267 CA PHE A 360 7.804 0.170 -2.276 1.00 0.00 C ATOM 1268 C PHE A 360 6.759 0.867 -3.151 1.00 0.00 C ATOM 1269 O PHE A 360 5.817 0.228 -3.620 1.00 0.00 O ATOM 1270 CB PHE A 360 8.451 -1.041 -2.972 1.00 0.00 C ATOM 1271 CG PHE A 360 9.796 -0.804 -3.636 1.00 0.00 C ATOM 1272 CD1 PHE A 360 9.944 0.161 -4.647 1.00 0.00 C ATOM 1273 CD2 PHE A 360 10.917 -1.556 -3.248 1.00 0.00 C ATOM 1274 CE1 PHE A 360 11.193 0.356 -5.262 1.00 0.00 C ATOM 1275 CE2 PHE A 360 12.154 -1.351 -3.846 1.00 0.00 C ATOM 1276 CZ PHE A 360 12.300 -0.406 -4.863 1.00 0.00 C ATOM 0 H PHE A 360 6.343 -0.910 -1.254 1.00 0.00 H new ATOM 0 HA PHE A 360 8.592 0.892 -2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 360 8.570 -1.835 -2.234 1.00 0.00 H new ATOM 0 HB3 PHE A 360 7.758 -1.410 -3.728 1.00 0.00 H new ATOM 0 HD1 PHE A 360 9.095 0.755 -4.952 1.00 0.00 H new ATOM 0 HD2 PHE A 360 10.816 -2.303 -2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 360 11.300 1.094 -6.043 1.00 0.00 H new ATOM 0 HE2 PHE A 360 13.008 -1.927 -3.522 1.00 0.00 H new ATOM 0 HZ PHE A 360 13.259 -0.263 -5.339 1.00 0.00 H new ATOM 1286 N LEU A 361 6.933 2.176 -3.366 1.00 0.00 N ATOM 1287 CA LEU A 361 5.946 3.038 -4.011 1.00 0.00 C ATOM 1288 C LEU A 361 5.493 2.481 -5.366 1.00 0.00 C ATOM 1289 O LEU A 361 6.299 1.937 -6.120 1.00 0.00 O ATOM 1290 CB LEU A 361 6.537 4.451 -4.139 1.00 0.00 C ATOM 1291 CG LEU A 361 5.564 5.563 -3.723 1.00 0.00 C ATOM 1292 CD1 LEU A 361 6.262 6.918 -3.819 1.00 0.00 C ATOM 1293 CD2 LEU A 361 4.319 5.608 -4.604 1.00 0.00 C ATOM 0 H LEU A 361 7.781 2.671 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 361 5.048 3.078 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 361 7.435 4.517 -3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 361 6.844 4.615 -5.172 1.00 0.00 H new ATOM 0 HG LEU A 361 5.255 5.347 -2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 361 5.569 7.706 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 361 7.128 6.929 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 361 6.588 7.088 -4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 361 3.664 6.412 -4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 361 4.612 5.788 -5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 361 3.791 4.657 -4.536 1.00 0.00 H new ATOM 1305 N ASN A 362 4.197 2.618 -5.672 1.00 0.00 N ATOM 1306 CA ASN A 362 3.590 2.142 -6.901 1.00 0.00 C ATOM 1307 C ASN A 362 2.481 3.119 -7.329 1.00 0.00 C ATOM 1308 O ASN A 362 1.359 2.729 -7.656 1.00 0.00 O ATOM 1309 CB ASN A 362 3.091 0.712 -6.675 1.00 0.00 C ATOM 1310 CG ASN A 362 2.915 -0.030 -7.990 1.00 0.00 C ATOM 1311 OD1 ASN A 362 3.659 -0.959 -8.290 1.00 0.00 O ATOM 1312 ND2 ASN A 362 1.931 0.374 -8.782 1.00 0.00 N ATOM 0 H ASN A 362 3.532 3.076 -5.049 1.00 0.00 H new ATOM 0 HA ASN A 362 4.308 2.109 -7.720 1.00 0.00 H new ATOM 0 HB2 ASN A 362 3.798 0.174 -6.044 1.00 0.00 H new ATOM 0 HB3 ASN A 362 2.142 0.737 -6.140 1.00 0.00 H new ATOM 0 HD21 ASN A 362 1.772 -0.092 -9.675 1.00 0.00 H new ATOM 0 HD22 ASN A 362 1.333 1.150 -8.498 1.00 0.00 H new ATOM 1319 N SER A 363 2.801 4.416 -7.325 1.00 0.00 N ATOM 1320 CA SER A 363 1.890 5.446 -7.799 1.00 0.00 C ATOM 1321 C SER A 363 2.641 6.739 -8.099 1.00 0.00 C ATOM 1322 O SER A 363 3.834 6.859 -7.824 1.00 0.00 O ATOM 1323 CB SER A 363 0.812 5.722 -6.751 1.00 0.00 C ATOM 1324 OG SER A 363 1.372 6.331 -5.607 1.00 0.00 O ATOM 0 H SER A 363 3.697 4.774 -6.993 1.00 0.00 H new ATOM 0 HA SER A 363 1.424 5.085 -8.716 1.00 0.00 H new ATOM 0 HB2 SER A 363 0.044 6.369 -7.174 1.00 0.00 H new ATOM 0 HB3 SER A 363 0.324 4.789 -6.470 1.00 0.00 H new ATOM 0 HG SER A 363 1.515 7.285 -5.781 1.00 0.00 H new ATOM 1330 N THR A 364 1.925 7.710 -8.668 1.00 0.00 N ATOM 1331 CA THR A 364 2.439 9.047 -8.916 1.00 0.00 C ATOM 1332 C THR A 364 1.266 10.018 -8.959 1.00 0.00 C ATOM 1333 O THR A 364 0.116 9.596 -9.085 1.00 0.00 O ATOM 1334 CB THR A 364 3.241 9.074 -10.218 1.00 0.00 C ATOM 1335 OG1 THR A 364 3.870 10.328 -10.360 1.00 0.00 O ATOM 1336 CG2 THR A 364 2.327 8.835 -11.412 1.00 0.00 C ATOM 0 H THR A 364 0.960 7.583 -8.972 1.00 0.00 H new ATOM 0 HA THR A 364 3.116 9.346 -8.115 1.00 0.00 H new ATOM 0 HB THR A 364 3.991 8.284 -10.181 1.00 0.00 H new ATOM 0 HG1 THR A 364 4.385 10.343 -11.194 1.00 0.00 H new ATOM 0 HG21 THR A 364 2.914 8.858 -12.330 1.00 0.00 H new ATOM 0 HG22 THR A 364 1.846 7.862 -11.313 1.00 0.00 H new ATOM 0 HG23 THR A 364 1.566 9.614 -11.449 1.00 0.00 H new ATOM 1344 N THR A 365 1.544 11.319 -8.854 1.00 0.00 N ATOM 1345 CA THR A 365 0.508 12.338 -8.919 1.00 0.00 C ATOM 1346 C THR A 365 -0.188 12.281 -10.279 1.00 0.00 C ATOM 1347 O THR A 365 0.465 12.190 -11.318 1.00 0.00 O ATOM 1348 CB THR A 365 1.112 13.716 -8.635 1.00 0.00 C ATOM 1349 OG1 THR A 365 0.163 14.720 -8.915 1.00 0.00 O ATOM 1350 CG2 THR A 365 2.369 13.960 -9.466 1.00 0.00 C ATOM 0 H THR A 365 2.486 11.688 -8.723 1.00 0.00 H new ATOM 0 HA THR A 365 -0.247 12.150 -8.155 1.00 0.00 H new ATOM 0 HB THR A 365 1.389 13.748 -7.581 1.00 0.00 H new ATOM 0 HG1 THR A 365 0.553 15.600 -8.730 1.00 0.00 H new ATOM 0 HG21 THR A 365 2.770 14.948 -9.238 1.00 0.00 H new ATOM 0 HG22 THR A 365 3.115 13.202 -9.228 1.00 0.00 H new ATOM 0 HG23 THR A 365 2.121 13.905 -10.526 1.00 0.00 H new