USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 645 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 369 ASN : amide:sc= -1.3! C(o=-1.3!,f=-6!) USER MOD Set 1.2: A 436 GLN : amide:sc= 0 X(o=-1.3,f=-1.3) USER MOD Set 2.1: A 401 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 414 THR OG1 : rot 180:sc= -1.04 USER MOD Set 3.1: A 390 ASN : amide:sc= -0.144 K(o=-1.8,f=-4.2!) USER MOD Set 3.2: A 393 THR OG1 : rot 156:sc= -1.64! USER MOD Single : A 361 SER OG : rot -27:sc= 0.322 USER MOD Single : A 364 TYR OH : rot 180:sc= 0 USER MOD Single : A 366 GLN : amide:sc= -0.0847 X(o=-0.085,f=0) USER MOD Single : A 371 SER OG : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot -97:sc= -0.646 USER MOD Single : A 382 LYS NZ :NH3+ -121:sc= -0.0899 (180deg=-0.485) USER MOD Single : A 383 GLN : amide:sc= -1.86 K(o=-1.9,f=-0.71) USER MOD Single : A 384 CYS SG : rot -110:sc= -0.938 USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 389 MET CE :methyl -161:sc= -5.7! (180deg=-7.32!) USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 395 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 397 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 399 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 404 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 THR OG1 : rot -150:sc= -1.18 USER MOD Single : A 408 LYS NZ :NH3+ 153:sc= -0.991 (180deg=-1.27) USER MOD Single : A 410 LYS NZ :NH3+ -122:sc= -0.0101 (180deg=-0.6) USER MOD Single : A 416 SER OG : rot 180:sc= 0 USER MOD Single : A 417 TYR OH : rot 2:sc= -0.69 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 SER OG : rot -91:sc= 1.18 USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 441 LYS NZ :NH3+ 154:sc= 1.14 (180deg=-0.387) USER MOD Single : A 443 SER OG : rot 180:sc= -0.461 USER MOD ----------------------------------------------------------------- ATOM 168 N SER A 361 0.653 8.461 1.312 1.00 0.00 N ATOM 169 CA SER A 361 0.786 8.105 -0.096 1.00 0.00 C ATOM 170 C SER A 361 1.440 6.734 -0.250 1.00 0.00 C ATOM 171 O SER A 361 1.963 6.401 -1.312 1.00 0.00 O ATOM 172 CB SER A 361 1.610 9.162 -0.836 1.00 0.00 C ATOM 173 OG SER A 361 2.754 9.533 -0.086 1.00 0.00 O ATOM 0 HA SER A 361 -0.213 8.063 -0.531 1.00 0.00 H new ATOM 0 HB2 SER A 361 1.918 8.774 -1.807 1.00 0.00 H new ATOM 0 HB3 SER A 361 0.994 10.041 -1.025 1.00 0.00 H new ATOM 0 HG SER A 361 2.578 9.397 0.868 1.00 0.00 H new ATOM 179 N ALA A 362 1.405 5.946 0.819 1.00 0.00 N ATOM 180 CA ALA A 362 1.992 4.611 0.803 1.00 0.00 C ATOM 181 C ALA A 362 0.927 3.541 1.020 1.00 0.00 C ATOM 182 O ALA A 362 -0.150 3.822 1.548 1.00 0.00 O ATOM 183 CB ALA A 362 3.078 4.500 1.861 1.00 0.00 C ATOM 0 H ALA A 362 0.977 6.208 1.707 1.00 0.00 H new ATOM 0 HA ALA A 362 2.438 4.448 -0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 362 3.507 3.498 1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 362 3.858 5.234 1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 362 2.648 4.688 2.845 1.00 0.00 H new ATOM 189 N ILE A 363 1.235 2.316 0.610 1.00 0.00 N ATOM 190 CA ILE A 363 0.304 1.204 0.761 1.00 0.00 C ATOM 191 C ILE A 363 0.994 -0.013 1.367 1.00 0.00 C ATOM 192 O ILE A 363 2.152 -0.300 1.060 1.00 0.00 O ATOM 193 CB ILE A 363 -0.322 0.806 -0.589 1.00 0.00 C ATOM 194 CG1 ILE A 363 0.752 0.255 -1.530 1.00 0.00 C ATOM 195 CG2 ILE A 363 -1.025 1.999 -1.219 1.00 0.00 C ATOM 196 CD1 ILE A 363 0.187 -0.414 -2.764 1.00 0.00 C ATOM 0 H ILE A 363 2.121 2.068 0.171 1.00 0.00 H new ATOM 0 HA ILE A 363 -0.485 1.543 1.432 1.00 0.00 H new ATOM 0 HB ILE A 363 -1.062 0.025 -0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 363 1.408 1.070 -1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 363 1.367 -0.463 -0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 363 -1.462 1.702 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 363 -1.812 2.351 -0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 363 -0.305 2.800 -1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 363 1.004 -0.781 -3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 363 -0.446 -1.250 -2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 363 -0.404 0.306 -3.330 1.00 0.00 H new ATOM 208 N TYR A 364 0.277 -0.726 2.228 1.00 0.00 N ATOM 209 CA TYR A 364 0.821 -1.913 2.878 1.00 0.00 C ATOM 210 C TYR A 364 0.360 -3.182 2.167 1.00 0.00 C ATOM 211 O TYR A 364 -0.834 -3.480 2.114 1.00 0.00 O ATOM 212 CB TYR A 364 0.397 -1.954 4.346 1.00 0.00 C ATOM 213 CG TYR A 364 1.383 -2.671 5.241 1.00 0.00 C ATOM 214 CD1 TYR A 364 1.354 -4.055 5.372 1.00 0.00 C ATOM 215 CD2 TYR A 364 2.345 -1.966 5.954 1.00 0.00 C ATOM 216 CE1 TYR A 364 2.253 -4.713 6.189 1.00 0.00 C ATOM 217 CE2 TYR A 364 3.249 -2.617 6.771 1.00 0.00 C ATOM 218 CZ TYR A 364 3.198 -3.990 6.886 1.00 0.00 C ATOM 219 OH TYR A 364 4.096 -4.643 7.699 1.00 0.00 O ATOM 0 H TYR A 364 -0.683 -0.503 2.492 1.00 0.00 H new ATOM 0 HA TYR A 364 1.908 -1.862 2.822 1.00 0.00 H new ATOM 0 HB2 TYR A 364 0.267 -0.934 4.707 1.00 0.00 H new ATOM 0 HB3 TYR A 364 -0.573 -2.445 4.422 1.00 0.00 H new ATOM 0 HD1 TYR A 364 0.617 -4.625 4.826 1.00 0.00 H new ATOM 0 HD2 TYR A 364 2.387 -0.890 5.868 1.00 0.00 H new ATOM 0 HE1 TYR A 364 2.216 -5.788 6.281 1.00 0.00 H new ATOM 0 HE2 TYR A 364 3.992 -2.054 7.317 1.00 0.00 H new ATOM 0 HH TYR A 364 4.695 -3.989 8.117 1.00 0.00 H new ATOM 229 N VAL A 365 1.317 -3.928 1.623 1.00 0.00 N ATOM 230 CA VAL A 365 1.011 -5.166 0.917 1.00 0.00 C ATOM 231 C VAL A 365 1.315 -6.383 1.784 1.00 0.00 C ATOM 232 O VAL A 365 2.301 -6.400 2.522 1.00 0.00 O ATOM 233 CB VAL A 365 1.807 -5.275 -0.397 1.00 0.00 C ATOM 234 CG1 VAL A 365 1.295 -6.435 -1.237 1.00 0.00 C ATOM 235 CG2 VAL A 365 1.732 -3.969 -1.174 1.00 0.00 C ATOM 0 H VAL A 365 2.310 -3.696 1.658 1.00 0.00 H new ATOM 0 HA VAL A 365 -0.054 -5.144 0.687 1.00 0.00 H new ATOM 0 HB VAL A 365 2.852 -5.468 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 365 1.869 -6.496 -2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 365 1.405 -7.365 -0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 365 0.243 -6.276 -1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 365 2.300 -4.063 -2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 365 0.691 -3.744 -1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 365 2.151 -3.163 -0.572 1.00 0.00 H new ATOM 245 N GLN A 366 0.464 -7.399 1.690 1.00 0.00 N ATOM 246 CA GLN A 366 0.643 -8.619 2.467 1.00 0.00 C ATOM 247 C GLN A 366 0.105 -9.830 1.710 1.00 0.00 C ATOM 248 O GLN A 366 -1.067 -9.872 1.339 1.00 0.00 O ATOM 249 CB GLN A 366 -0.060 -8.495 3.820 1.00 0.00 C ATOM 250 CG GLN A 366 0.722 -7.682 4.840 1.00 0.00 C ATOM 251 CD GLN A 366 -0.141 -7.204 5.990 1.00 0.00 C ATOM 252 OE1 GLN A 366 0.122 -7.520 7.152 1.00 0.00 O ATOM 253 NE2 GLN A 366 -1.179 -6.439 5.674 1.00 0.00 N ATOM 0 H GLN A 366 -0.356 -7.401 1.084 1.00 0.00 H new ATOM 0 HA GLN A 366 1.711 -8.761 2.632 1.00 0.00 H new ATOM 0 HB2 GLN A 366 -1.036 -8.034 3.672 1.00 0.00 H new ATOM 0 HB3 GLN A 366 -0.236 -9.493 4.221 1.00 0.00 H new ATOM 0 HG2 GLN A 366 1.540 -8.287 5.231 1.00 0.00 H new ATOM 0 HG3 GLN A 366 1.171 -6.821 4.345 1.00 0.00 H new ATOM 0 HE21 GLN A 366 -1.360 -6.202 4.699 1.00 0.00 H new ATOM 0 HE22 GLN A 366 -1.796 -6.088 6.407 1.00 0.00 H new ATOM 262 N GLY A 367 0.971 -10.813 1.485 1.00 0.00 N ATOM 263 CA GLY A 367 0.564 -12.012 0.774 1.00 0.00 C ATOM 264 C GLY A 367 1.505 -12.357 -0.364 1.00 0.00 C ATOM 265 O GLY A 367 1.145 -13.111 -1.268 1.00 0.00 O ATOM 0 H GLY A 367 1.947 -10.801 1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 367 0.521 -12.848 1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 367 -0.443 -11.873 0.380 1.00 0.00 H new ATOM 269 N LEU A 368 2.711 -11.805 -0.320 1.00 0.00 N ATOM 270 CA LEU A 368 3.707 -12.058 -1.356 1.00 0.00 C ATOM 271 C LEU A 368 4.410 -13.390 -1.120 1.00 0.00 C ATOM 272 O LEU A 368 4.492 -13.870 0.010 1.00 0.00 O ATOM 273 CB LEU A 368 4.735 -10.925 -1.391 1.00 0.00 C ATOM 274 CG LEU A 368 4.191 -9.536 -1.724 1.00 0.00 C ATOM 275 CD1 LEU A 368 5.232 -8.469 -1.424 1.00 0.00 C ATOM 276 CD2 LEU A 368 3.759 -9.468 -3.182 1.00 0.00 C ATOM 0 H LEU A 368 3.024 -11.179 0.422 1.00 0.00 H new ATOM 0 HA LEU A 368 3.193 -12.104 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 368 5.227 -10.877 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 368 5.501 -11.179 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 368 3.318 -9.349 -1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 368 4.827 -7.487 -1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 368 5.493 -8.502 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 368 6.124 -8.652 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 368 3.374 -8.472 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 368 4.614 -9.677 -3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 368 2.979 -10.207 -3.365 1.00 0.00 H new ATOM 288 N ASN A 369 4.920 -13.982 -2.196 1.00 0.00 N ATOM 289 CA ASN A 369 5.618 -15.259 -2.107 1.00 0.00 C ATOM 290 C ASN A 369 7.063 -15.059 -1.661 1.00 0.00 C ATOM 291 O ASN A 369 7.549 -13.931 -1.585 1.00 0.00 O ATOM 292 CB ASN A 369 5.585 -15.978 -3.458 1.00 0.00 C ATOM 293 CG ASN A 369 6.006 -15.078 -4.602 1.00 0.00 C ATOM 294 OD1 ASN A 369 7.165 -15.087 -5.020 1.00 0.00 O ATOM 295 ND2 ASN A 369 5.067 -14.293 -5.114 1.00 0.00 N ATOM 0 H ASN A 369 4.863 -13.597 -3.139 1.00 0.00 H new ATOM 0 HA ASN A 369 5.108 -15.872 -1.364 1.00 0.00 H new ATOM 0 HB2 ASN A 369 6.244 -16.846 -3.421 1.00 0.00 H new ATOM 0 HB3 ASN A 369 4.577 -16.350 -3.644 1.00 0.00 H new ATOM 0 HD21 ASN A 369 5.292 -13.664 -5.885 1.00 0.00 H new ATOM 0 HD22 ASN A 369 4.120 -14.318 -4.737 1.00 0.00 H new ATOM 302 N ASP A 370 7.744 -16.161 -1.366 1.00 0.00 N ATOM 303 CA ASP A 370 9.135 -16.107 -0.929 1.00 0.00 C ATOM 304 C ASP A 370 10.072 -15.932 -2.120 1.00 0.00 C ATOM 305 O ASP A 370 11.293 -15.987 -1.974 1.00 0.00 O ATOM 306 CB ASP A 370 9.498 -17.377 -0.159 1.00 0.00 C ATOM 307 CG ASP A 370 8.315 -17.962 0.588 1.00 0.00 C ATOM 308 OD1 ASP A 370 7.707 -17.232 1.399 1.00 0.00 O ATOM 309 OD2 ASP A 370 7.998 -19.148 0.364 1.00 0.00 O ATOM 0 H ASP A 370 7.356 -17.103 -1.421 1.00 0.00 H new ATOM 0 HA ASP A 370 9.251 -15.247 -0.270 1.00 0.00 H new ATOM 0 HB2 ASP A 370 9.888 -18.120 -0.854 1.00 0.00 H new ATOM 0 HB3 ASP A 370 10.296 -17.153 0.549 1.00 0.00 H new ATOM 314 N SER A 371 9.493 -15.724 -3.297 1.00 0.00 N ATOM 315 CA SER A 371 10.276 -15.545 -4.514 1.00 0.00 C ATOM 316 C SER A 371 10.006 -14.181 -5.140 1.00 0.00 C ATOM 317 O SER A 371 10.354 -13.935 -6.295 1.00 0.00 O ATOM 318 CB SER A 371 9.955 -16.654 -5.519 1.00 0.00 C ATOM 319 OG SER A 371 10.525 -17.887 -5.117 1.00 0.00 O ATOM 0 H SER A 371 8.483 -15.675 -3.434 1.00 0.00 H new ATOM 0 HA SER A 371 11.332 -15.599 -4.248 1.00 0.00 H new ATOM 0 HB2 SER A 371 8.874 -16.763 -5.613 1.00 0.00 H new ATOM 0 HB3 SER A 371 10.334 -16.378 -6.503 1.00 0.00 H new ATOM 0 HG SER A 371 10.304 -18.579 -5.775 1.00 0.00 H new ATOM 325 N VAL A 372 9.381 -13.296 -4.369 1.00 0.00 N ATOM 326 CA VAL A 372 9.064 -11.956 -4.846 1.00 0.00 C ATOM 327 C VAL A 372 10.285 -11.046 -4.781 1.00 0.00 C ATOM 328 O VAL A 372 11.034 -11.061 -3.805 1.00 0.00 O ATOM 329 CB VAL A 372 7.923 -11.323 -4.026 1.00 0.00 C ATOM 330 CG1 VAL A 372 8.425 -10.891 -2.657 1.00 0.00 C ATOM 331 CG2 VAL A 372 7.316 -10.149 -4.776 1.00 0.00 C ATOM 0 H VAL A 372 9.084 -13.484 -3.411 1.00 0.00 H new ATOM 0 HA VAL A 372 8.744 -12.057 -5.883 1.00 0.00 H new ATOM 0 HB VAL A 372 7.145 -12.072 -3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 372 7.605 -10.446 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 372 8.807 -11.759 -2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 372 9.223 -10.158 -2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 372 6.512 -9.714 -4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 372 8.083 -9.396 -4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 372 6.917 -10.494 -5.730 1.00 0.00 H new ATOM 341 N THR A 373 10.482 -10.252 -5.831 1.00 0.00 N ATOM 342 CA THR A 373 11.612 -9.336 -5.895 1.00 0.00 C ATOM 343 C THR A 373 11.143 -7.891 -6.022 1.00 0.00 C ATOM 344 O THR A 373 10.029 -7.628 -6.478 1.00 0.00 O ATOM 345 CB THR A 373 12.540 -9.669 -7.079 1.00 0.00 C ATOM 346 OG1 THR A 373 11.809 -9.601 -8.308 1.00 0.00 O ATOM 347 CG2 THR A 373 13.144 -11.056 -6.919 1.00 0.00 C ATOM 0 H THR A 373 9.872 -10.226 -6.648 1.00 0.00 H new ATOM 0 HA THR A 373 12.167 -9.454 -4.964 1.00 0.00 H new ATOM 0 HB THR A 373 13.348 -8.938 -7.096 1.00 0.00 H new ATOM 0 HG1 THR A 373 11.524 -10.501 -8.569 1.00 0.00 H new ATOM 0 HG21 THR A 373 13.795 -11.269 -7.767 1.00 0.00 H new ATOM 0 HG22 THR A 373 13.724 -11.096 -5.997 1.00 0.00 H new ATOM 0 HG23 THR A 373 12.346 -11.798 -6.879 1.00 0.00 H new ATOM 355 N LEU A 374 11.999 -6.958 -5.620 1.00 0.00 N ATOM 356 CA LEU A 374 11.671 -5.538 -5.691 1.00 0.00 C ATOM 357 C LEU A 374 11.226 -5.151 -7.098 1.00 0.00 C ATOM 358 O LEU A 374 10.101 -4.695 -7.300 1.00 0.00 O ATOM 359 CB LEU A 374 12.878 -4.695 -5.275 1.00 0.00 C ATOM 360 CG LEU A 374 12.843 -3.224 -5.689 1.00 0.00 C ATOM 361 CD1 LEU A 374 11.903 -2.438 -4.789 1.00 0.00 C ATOM 362 CD2 LEU A 374 14.242 -2.626 -5.654 1.00 0.00 C ATOM 0 H LEU A 374 12.925 -7.159 -5.242 1.00 0.00 H new ATOM 0 HA LEU A 374 10.847 -5.346 -5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 374 12.974 -4.744 -4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 374 13.775 -5.149 -5.695 1.00 0.00 H new ATOM 0 HG LEU A 374 12.469 -3.164 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 374 11.891 -1.393 -5.099 1.00 0.00 H new ATOM 0 HD12 LEU A 374 10.897 -2.850 -4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 374 12.246 -2.506 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 374 14.197 -1.578 -5.952 1.00 0.00 H new ATOM 0 HD22 LEU A 374 14.644 -2.699 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 374 14.888 -3.171 -6.342 1.00 0.00 H new ATOM 374 N ASP A 375 12.116 -5.339 -8.066 1.00 0.00 N ATOM 375 CA ASP A 375 11.816 -5.012 -9.455 1.00 0.00 C ATOM 376 C ASP A 375 10.505 -5.659 -9.893 1.00 0.00 C ATOM 377 O ASP A 375 9.765 -5.098 -10.702 1.00 0.00 O ATOM 378 CB ASP A 375 12.954 -5.470 -10.367 1.00 0.00 C ATOM 379 CG ASP A 375 13.011 -4.683 -11.662 1.00 0.00 C ATOM 380 OD1 ASP A 375 12.027 -4.732 -12.429 1.00 0.00 O ATOM 381 OD2 ASP A 375 14.038 -4.017 -11.907 1.00 0.00 O ATOM 0 H ASP A 375 13.051 -5.716 -7.914 1.00 0.00 H new ATOM 0 HA ASP A 375 11.712 -3.930 -9.534 1.00 0.00 H new ATOM 0 HB2 ASP A 375 13.902 -5.366 -9.840 1.00 0.00 H new ATOM 0 HB3 ASP A 375 12.830 -6.529 -10.594 1.00 0.00 H new ATOM 386 N ASP A 376 10.226 -6.841 -9.355 1.00 0.00 N ATOM 387 CA ASP A 376 9.005 -7.565 -9.690 1.00 0.00 C ATOM 388 C ASP A 376 7.778 -6.845 -9.140 1.00 0.00 C ATOM 389 O ASP A 376 6.689 -6.927 -9.710 1.00 0.00 O ATOM 390 CB ASP A 376 9.065 -8.990 -9.140 1.00 0.00 C ATOM 391 CG ASP A 376 9.701 -9.961 -10.115 1.00 0.00 C ATOM 392 OD1 ASP A 376 9.725 -9.657 -11.327 1.00 0.00 O ATOM 393 OD2 ASP A 376 10.176 -11.026 -9.667 1.00 0.00 O ATOM 0 H ASP A 376 10.829 -7.318 -8.685 1.00 0.00 H new ATOM 0 HA ASP A 376 8.923 -7.606 -10.776 1.00 0.00 H new ATOM 0 HB2 ASP A 376 9.630 -8.993 -8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 376 8.056 -9.327 -8.902 1.00 0.00 H new ATOM 398 N LEU A 377 7.961 -6.140 -8.029 1.00 0.00 N ATOM 399 CA LEU A 377 6.868 -5.405 -7.400 1.00 0.00 C ATOM 400 C LEU A 377 6.781 -3.985 -7.948 1.00 0.00 C ATOM 401 O LEU A 377 5.703 -3.393 -7.997 1.00 0.00 O ATOM 402 CB LEU A 377 7.060 -5.368 -5.883 1.00 0.00 C ATOM 403 CG LEU A 377 6.795 -6.679 -5.141 1.00 0.00 C ATOM 404 CD1 LEU A 377 7.019 -6.501 -3.647 1.00 0.00 C ATOM 405 CD2 LEU A 377 5.382 -7.171 -5.415 1.00 0.00 C ATOM 0 H LEU A 377 8.855 -6.061 -7.545 1.00 0.00 H new ATOM 0 HA LEU A 377 5.936 -5.921 -7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 377 8.083 -5.056 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 377 6.403 -4.602 -5.472 1.00 0.00 H new ATOM 0 HG LEU A 377 7.496 -7.429 -5.506 1.00 0.00 H new ATOM 0 HD11 LEU A 377 6.826 -7.444 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 377 8.050 -6.195 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 377 6.342 -5.736 -3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 377 5.211 -8.105 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 377 4.664 -6.423 -5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 377 5.256 -7.339 -6.485 1.00 0.00 H new ATOM 417 N ALA A 378 7.922 -3.443 -8.360 1.00 0.00 N ATOM 418 CA ALA A 378 7.974 -2.094 -8.909 1.00 0.00 C ATOM 419 C ALA A 378 7.319 -2.036 -10.285 1.00 0.00 C ATOM 420 O ALA A 378 6.696 -1.037 -10.644 1.00 0.00 O ATOM 421 CB ALA A 378 9.415 -1.611 -8.987 1.00 0.00 C ATOM 0 H ALA A 378 8.824 -3.918 -8.324 1.00 0.00 H new ATOM 0 HA ALA A 378 7.417 -1.435 -8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 378 9.439 -0.602 -9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 378 9.851 -1.606 -7.988 1.00 0.00 H new ATOM 0 HB3 ALA A 378 9.988 -2.279 -9.630 1.00 0.00 H new ATOM 427 N ASP A 379 7.465 -3.111 -11.051 1.00 0.00 N ATOM 428 CA ASP A 379 6.887 -3.182 -12.387 1.00 0.00 C ATOM 429 C ASP A 379 5.404 -3.533 -12.321 1.00 0.00 C ATOM 430 O ASP A 379 4.659 -3.310 -13.275 1.00 0.00 O ATOM 431 CB ASP A 379 7.631 -4.216 -13.234 1.00 0.00 C ATOM 432 CG ASP A 379 7.361 -4.054 -14.717 1.00 0.00 C ATOM 433 OD1 ASP A 379 7.440 -2.911 -15.213 1.00 0.00 O ATOM 434 OD2 ASP A 379 7.070 -5.069 -15.381 1.00 0.00 O ATOM 0 H ASP A 379 7.979 -3.946 -10.769 1.00 0.00 H new ATOM 0 HA ASP A 379 6.989 -2.201 -12.852 1.00 0.00 H new ATOM 0 HB2 ASP A 379 8.702 -4.128 -13.051 1.00 0.00 H new ATOM 0 HB3 ASP A 379 7.336 -5.218 -12.921 1.00 0.00 H new ATOM 439 N PHE A 380 4.983 -4.084 -11.188 1.00 0.00 N ATOM 440 CA PHE A 380 3.588 -4.469 -10.996 1.00 0.00 C ATOM 441 C PHE A 380 2.797 -3.339 -10.345 1.00 0.00 C ATOM 442 O PHE A 380 1.755 -2.923 -10.850 1.00 0.00 O ATOM 443 CB PHE A 380 3.499 -5.731 -10.137 1.00 0.00 C ATOM 444 CG PHE A 380 2.089 -6.160 -9.847 1.00 0.00 C ATOM 445 CD1 PHE A 380 1.160 -6.273 -10.869 1.00 0.00 C ATOM 446 CD2 PHE A 380 1.691 -6.449 -8.551 1.00 0.00 C ATOM 447 CE1 PHE A 380 -0.138 -6.667 -10.605 1.00 0.00 C ATOM 448 CE2 PHE A 380 0.395 -6.844 -8.281 1.00 0.00 C ATOM 449 CZ PHE A 380 -0.521 -6.952 -9.309 1.00 0.00 C ATOM 0 H PHE A 380 5.587 -4.274 -10.388 1.00 0.00 H new ATOM 0 HA PHE A 380 3.155 -4.674 -11.975 1.00 0.00 H new ATOM 0 HB2 PHE A 380 4.021 -6.543 -10.643 1.00 0.00 H new ATOM 0 HB3 PHE A 380 4.019 -5.557 -9.195 1.00 0.00 H new ATOM 0 HD1 PHE A 380 1.454 -6.050 -11.884 1.00 0.00 H new ATOM 0 HD2 PHE A 380 2.402 -6.364 -7.743 1.00 0.00 H new ATOM 0 HE1 PHE A 380 -0.852 -6.752 -11.411 1.00 0.00 H new ATOM 0 HE2 PHE A 380 0.098 -7.068 -7.267 1.00 0.00 H new ATOM 0 HZ PHE A 380 -1.535 -7.259 -9.100 1.00 0.00 H new ATOM 459 N PHE A 381 3.301 -2.845 -9.218 1.00 0.00 N ATOM 460 CA PHE A 381 2.642 -1.764 -8.494 1.00 0.00 C ATOM 461 C PHE A 381 2.515 -0.522 -9.370 1.00 0.00 C ATOM 462 O PHE A 381 1.674 0.343 -9.124 1.00 0.00 O ATOM 463 CB PHE A 381 3.419 -1.428 -7.220 1.00 0.00 C ATOM 464 CG PHE A 381 3.212 -2.420 -6.112 1.00 0.00 C ATOM 465 CD1 PHE A 381 1.940 -2.699 -5.641 1.00 0.00 C ATOM 466 CD2 PHE A 381 4.293 -3.075 -5.541 1.00 0.00 C ATOM 467 CE1 PHE A 381 1.747 -3.612 -4.622 1.00 0.00 C ATOM 468 CE2 PHE A 381 4.105 -3.990 -4.523 1.00 0.00 C ATOM 469 CZ PHE A 381 2.832 -4.258 -4.061 1.00 0.00 C ATOM 0 H PHE A 381 4.164 -3.176 -8.787 1.00 0.00 H new ATOM 0 HA PHE A 381 1.641 -2.098 -8.222 1.00 0.00 H new ATOM 0 HB2 PHE A 381 4.482 -1.375 -7.456 1.00 0.00 H new ATOM 0 HB3 PHE A 381 3.120 -0.439 -6.872 1.00 0.00 H new ATOM 0 HD1 PHE A 381 1.088 -2.197 -6.076 1.00 0.00 H new ATOM 0 HD2 PHE A 381 5.292 -2.868 -5.896 1.00 0.00 H new ATOM 0 HE1 PHE A 381 0.749 -3.820 -4.264 1.00 0.00 H new ATOM 0 HE2 PHE A 381 4.954 -4.496 -4.088 1.00 0.00 H new ATOM 0 HZ PHE A 381 2.685 -4.971 -3.263 1.00 0.00 H new ATOM 479 N LYS A 382 3.358 -0.438 -10.394 1.00 0.00 N ATOM 480 CA LYS A 382 3.343 0.697 -11.309 1.00 0.00 C ATOM 481 C LYS A 382 2.158 0.608 -12.266 1.00 0.00 C ATOM 482 O LYS A 382 1.907 1.529 -13.043 1.00 0.00 O ATOM 483 CB LYS A 382 4.649 0.757 -12.102 1.00 0.00 C ATOM 484 CG LYS A 382 4.786 -0.348 -13.135 1.00 0.00 C ATOM 485 CD LYS A 382 5.645 0.089 -14.310 1.00 0.00 C ATOM 486 CE LYS A 382 4.843 0.903 -15.314 1.00 0.00 C ATOM 487 NZ LYS A 382 3.796 0.082 -15.983 1.00 0.00 N ATOM 0 H LYS A 382 4.061 -1.144 -10.611 1.00 0.00 H new ATOM 0 HA LYS A 382 3.243 1.607 -10.718 1.00 0.00 H new ATOM 0 HB2 LYS A 382 4.715 1.722 -12.604 1.00 0.00 H new ATOM 0 HB3 LYS A 382 5.488 0.700 -11.409 1.00 0.00 H new ATOM 0 HG2 LYS A 382 5.226 -1.230 -12.669 1.00 0.00 H new ATOM 0 HG3 LYS A 382 3.798 -0.637 -13.493 1.00 0.00 H new ATOM 0 HD2 LYS A 382 6.485 0.682 -13.948 1.00 0.00 H new ATOM 0 HD3 LYS A 382 6.063 -0.789 -14.803 1.00 0.00 H new ATOM 0 HE2 LYS A 382 4.374 1.746 -14.806 1.00 0.00 H new ATOM 0 HE3 LYS A 382 5.515 1.317 -16.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 382 3.955 0.088 -17.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 382 3.843 -0.895 -15.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 382 2.858 0.480 -15.775 1.00 0.00 H new ATOM 501 N GLN A 383 1.435 -0.505 -12.204 1.00 0.00 N ATOM 502 CA GLN A 383 0.277 -0.712 -13.065 1.00 0.00 C ATOM 503 C GLN A 383 -0.760 0.387 -12.857 1.00 0.00 C ATOM 504 O GLN A 383 -1.153 1.070 -13.804 1.00 0.00 O ATOM 505 CB GLN A 383 -0.352 -2.079 -12.790 1.00 0.00 C ATOM 506 CG GLN A 383 0.283 -3.211 -13.583 1.00 0.00 C ATOM 507 CD GLN A 383 -0.663 -4.375 -13.797 1.00 0.00 C ATOM 508 OE1 GLN A 383 -0.936 -4.770 -14.932 1.00 0.00 O ATOM 509 NE2 GLN A 383 -1.172 -4.935 -12.705 1.00 0.00 N ATOM 0 H GLN A 383 1.631 -1.277 -11.567 1.00 0.00 H new ATOM 0 HA GLN A 383 0.616 -0.676 -14.100 1.00 0.00 H new ATOM 0 HB2 GLN A 383 -0.269 -2.301 -11.726 1.00 0.00 H new ATOM 0 HB3 GLN A 383 -1.416 -2.034 -13.024 1.00 0.00 H new ATOM 0 HG2 GLN A 383 0.611 -2.832 -14.551 1.00 0.00 H new ATOM 0 HG3 GLN A 383 1.172 -3.562 -13.060 1.00 0.00 H new ATOM 0 HE21 GLN A 383 -0.920 -4.577 -11.784 1.00 0.00 H new ATOM 0 HE22 GLN A 383 -1.815 -5.723 -12.788 1.00 0.00 H new ATOM 518 N CYS A 384 -1.200 0.553 -11.614 1.00 0.00 N ATOM 519 CA CYS A 384 -2.192 1.568 -11.283 1.00 0.00 C ATOM 520 C CYS A 384 -1.704 2.956 -11.687 1.00 0.00 C ATOM 521 O CYS A 384 -2.304 3.613 -12.537 1.00 0.00 O ATOM 522 CB CYS A 384 -2.502 1.540 -9.785 1.00 0.00 C ATOM 523 SG CYS A 384 -3.558 2.894 -9.224 1.00 0.00 S ATOM 0 H CYS A 384 -0.885 -0.003 -10.819 1.00 0.00 H new ATOM 0 HA CYS A 384 -3.103 1.345 -11.839 1.00 0.00 H new ATOM 0 HB2 CYS A 384 -2.984 0.593 -9.543 1.00 0.00 H new ATOM 0 HB3 CYS A 384 -1.564 1.571 -9.230 1.00 0.00 H new ATOM 0 HG CYS A 384 -2.862 3.712 -8.491 1.00 0.00 H new ATOM 529 N GLY A 385 -0.612 3.398 -11.070 1.00 0.00 N ATOM 530 CA GLY A 385 -0.064 4.706 -11.377 1.00 0.00 C ATOM 531 C GLY A 385 1.444 4.682 -11.524 1.00 0.00 C ATOM 532 O GLY A 385 1.988 3.894 -12.299 1.00 0.00 O ATOM 0 H GLY A 385 -0.097 2.873 -10.363 1.00 0.00 H new ATOM 0 HA2 GLY A 385 -0.510 5.076 -12.300 1.00 0.00 H new ATOM 0 HA3 GLY A 385 -0.338 5.406 -10.588 1.00 0.00 H new ATOM 536 N VAL A 386 2.123 5.549 -10.780 1.00 0.00 N ATOM 537 CA VAL A 386 3.579 5.626 -10.831 1.00 0.00 C ATOM 538 C VAL A 386 4.186 5.476 -9.441 1.00 0.00 C ATOM 539 O VAL A 386 3.731 6.099 -8.482 1.00 0.00 O ATOM 540 CB VAL A 386 4.050 6.958 -11.445 1.00 0.00 C ATOM 541 CG1 VAL A 386 5.564 7.080 -11.358 1.00 0.00 C ATOM 542 CG2 VAL A 386 3.579 7.075 -12.887 1.00 0.00 C ATOM 0 H VAL A 386 1.688 6.208 -10.134 1.00 0.00 H new ATOM 0 HA VAL A 386 3.918 4.804 -11.462 1.00 0.00 H new ATOM 0 HB VAL A 386 3.610 7.777 -10.876 1.00 0.00 H new ATOM 0 HG11 VAL A 386 5.879 8.027 -11.797 1.00 0.00 H new ATOM 0 HG12 VAL A 386 5.873 7.044 -10.313 1.00 0.00 H new ATOM 0 HG13 VAL A 386 6.027 6.257 -11.902 1.00 0.00 H new ATOM 0 HG21 VAL A 386 3.920 8.022 -13.306 1.00 0.00 H new ATOM 0 HG22 VAL A 386 3.989 6.251 -13.472 1.00 0.00 H new ATOM 0 HG23 VAL A 386 2.490 7.036 -12.918 1.00 0.00 H new ATOM 552 N VAL A 387 5.219 4.645 -9.339 1.00 0.00 N ATOM 553 CA VAL A 387 5.891 4.414 -8.067 1.00 0.00 C ATOM 554 C VAL A 387 6.990 5.444 -7.830 1.00 0.00 C ATOM 555 O VAL A 387 7.833 5.680 -8.697 1.00 0.00 O ATOM 556 CB VAL A 387 6.505 3.002 -8.004 1.00 0.00 C ATOM 557 CG1 VAL A 387 7.212 2.786 -6.674 1.00 0.00 C ATOM 558 CG2 VAL A 387 5.433 1.946 -8.226 1.00 0.00 C ATOM 0 H VAL A 387 5.608 4.121 -10.123 1.00 0.00 H new ATOM 0 HA VAL A 387 5.134 4.509 -7.288 1.00 0.00 H new ATOM 0 HB VAL A 387 7.244 2.909 -8.800 1.00 0.00 H new ATOM 0 HG11 VAL A 387 7.639 1.784 -6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 387 8.007 3.523 -6.561 1.00 0.00 H new ATOM 0 HG13 VAL A 387 6.496 2.897 -5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 387 5.883 0.955 -8.178 1.00 0.00 H new ATOM 0 HG22 VAL A 387 4.669 2.035 -7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 387 4.977 2.091 -9.205 1.00 0.00 H new ATOM 568 N LYS A 388 6.976 6.056 -6.651 1.00 0.00 N ATOM 569 CA LYS A 388 7.971 7.061 -6.298 1.00 0.00 C ATOM 570 C LYS A 388 9.382 6.494 -6.417 1.00 0.00 C ATOM 571 O LYS A 388 9.811 5.691 -5.588 1.00 0.00 O ATOM 572 CB LYS A 388 7.732 7.567 -4.874 1.00 0.00 C ATOM 573 CG LYS A 388 8.581 8.772 -4.506 1.00 0.00 C ATOM 574 CD LYS A 388 7.899 9.634 -3.457 1.00 0.00 C ATOM 575 CE LYS A 388 8.780 10.803 -3.039 1.00 0.00 C ATOM 576 NZ LYS A 388 8.193 11.558 -1.897 1.00 0.00 N ATOM 0 H LYS A 388 6.285 5.873 -5.923 1.00 0.00 H new ATOM 0 HA LYS A 388 7.873 7.894 -6.994 1.00 0.00 H new ATOM 0 HB2 LYS A 388 6.679 7.827 -4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 388 7.938 6.760 -4.171 1.00 0.00 H new ATOM 0 HG2 LYS A 388 9.548 8.436 -4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 388 8.775 9.368 -5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.955 10.011 -3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 388 7.660 9.026 -2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 388 9.767 10.433 -2.761 1.00 0.00 H new ATOM 0 HE3 LYS A 388 8.918 11.475 -3.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 8.822 12.346 -1.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 7.262 11.933 -2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 8.084 10.923 -1.080 1.00 0.00 H new ATOM 590 N MET A 389 10.101 6.918 -7.452 1.00 0.00 N ATOM 591 CA MET A 389 11.465 6.454 -7.676 1.00 0.00 C ATOM 592 C MET A 389 12.476 7.519 -7.263 1.00 0.00 C ATOM 593 O MET A 389 12.411 8.660 -7.719 1.00 0.00 O ATOM 594 CB MET A 389 11.665 6.087 -9.148 1.00 0.00 C ATOM 595 CG MET A 389 10.984 4.788 -9.549 1.00 0.00 C ATOM 596 SD MET A 389 11.910 3.330 -9.028 1.00 0.00 S ATOM 597 CE MET A 389 13.518 3.681 -9.733 1.00 0.00 C ATOM 0 H MET A 389 9.762 7.582 -8.148 1.00 0.00 H new ATOM 0 HA MET A 389 11.627 5.568 -7.062 1.00 0.00 H new ATOM 0 HB2 MET A 389 11.282 6.896 -9.771 1.00 0.00 H new ATOM 0 HB3 MET A 389 12.733 6.006 -9.352 1.00 0.00 H new ATOM 0 HG2 MET A 389 9.986 4.755 -9.112 1.00 0.00 H new ATOM 0 HG3 MET A 389 10.859 4.767 -10.632 1.00 0.00 H new ATOM 0 HE1 MET A 389 14.096 2.759 -9.799 1.00 0.00 H new ATOM 0 HE2 MET A 389 13.394 4.103 -10.730 1.00 0.00 H new ATOM 0 HE3 MET A 389 14.045 4.395 -9.100 1.00 0.00 H new ATOM 607 N ASN A 390 13.410 7.137 -6.399 1.00 0.00 N ATOM 608 CA ASN A 390 14.435 8.061 -5.924 1.00 0.00 C ATOM 609 C ASN A 390 15.123 8.758 -7.093 1.00 0.00 C ATOM 610 O ASN A 390 15.255 8.191 -8.179 1.00 0.00 O ATOM 611 CB ASN A 390 15.470 7.316 -5.079 1.00 0.00 C ATOM 612 CG ASN A 390 16.146 8.217 -4.065 1.00 0.00 C ATOM 613 OD1 ASN A 390 16.021 9.441 -4.124 1.00 0.00 O ATOM 614 ND2 ASN A 390 16.866 7.615 -3.125 1.00 0.00 N ATOM 0 H ASN A 390 13.479 6.195 -6.013 1.00 0.00 H new ATOM 0 HA ASN A 390 13.949 8.818 -5.308 1.00 0.00 H new ATOM 0 HB2 ASN A 390 14.984 6.490 -4.560 1.00 0.00 H new ATOM 0 HB3 ASN A 390 16.225 6.881 -5.734 1.00 0.00 H new ATOM 0 HD21 ASN A 390 17.343 8.170 -2.414 1.00 0.00 H new ATOM 0 HD22 ASN A 390 16.942 6.598 -3.114 1.00 0.00 H new ATOM 621 N LYS A 391 15.561 9.992 -6.865 1.00 0.00 N ATOM 622 CA LYS A 391 16.238 10.766 -7.898 1.00 0.00 C ATOM 623 C LYS A 391 17.751 10.626 -7.780 1.00 0.00 C ATOM 624 O LYS A 391 18.487 10.915 -8.724 1.00 0.00 O ATOM 625 CB LYS A 391 15.843 12.242 -7.798 1.00 0.00 C ATOM 626 CG LYS A 391 14.370 12.497 -8.067 1.00 0.00 C ATOM 627 CD LYS A 391 13.897 13.781 -7.407 1.00 0.00 C ATOM 628 CE LYS A 391 14.348 15.007 -8.186 1.00 0.00 C ATOM 629 NZ LYS A 391 13.715 16.254 -7.674 1.00 0.00 N ATOM 0 H LYS A 391 15.459 10.477 -5.974 1.00 0.00 H new ATOM 0 HA LYS A 391 15.930 10.377 -8.869 1.00 0.00 H new ATOM 0 HB2 LYS A 391 16.091 12.609 -6.802 1.00 0.00 H new ATOM 0 HB3 LYS A 391 16.438 12.818 -8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 391 14.200 12.556 -9.142 1.00 0.00 H new ATOM 0 HG3 LYS A 391 13.781 11.658 -7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 391 12.809 13.775 -7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 391 14.284 13.832 -6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 391 15.432 15.098 -8.123 1.00 0.00 H new ATOM 0 HE3 LYS A 391 14.099 14.880 -9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 14.048 17.066 -8.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 12.681 16.178 -7.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 13.973 16.390 -6.676 1.00 0.00 H new ATOM 643 N ARG A 392 18.211 10.179 -6.616 1.00 0.00 N ATOM 644 CA ARG A 392 19.637 10.000 -6.375 1.00 0.00 C ATOM 645 C ARG A 392 20.047 8.546 -6.594 1.00 0.00 C ATOM 646 O ARG A 392 21.029 8.262 -7.281 1.00 0.00 O ATOM 647 CB ARG A 392 19.995 10.433 -4.952 1.00 0.00 C ATOM 648 CG ARG A 392 21.434 10.129 -4.566 1.00 0.00 C ATOM 649 CD ARG A 392 21.586 9.975 -3.062 1.00 0.00 C ATOM 650 NE ARG A 392 22.811 9.265 -2.705 1.00 0.00 N ATOM 651 CZ ARG A 392 23.113 8.898 -1.465 1.00 0.00 C ATOM 652 NH1 ARG A 392 22.284 9.173 -0.468 1.00 0.00 N ATOM 653 NH2 ARG A 392 24.248 8.255 -1.220 1.00 0.00 N ATOM 0 H ARG A 392 17.616 9.934 -5.825 1.00 0.00 H new ATOM 0 HA ARG A 392 20.180 10.624 -7.084 1.00 0.00 H new ATOM 0 HB2 ARG A 392 19.820 11.504 -4.852 1.00 0.00 H new ATOM 0 HB3 ARG A 392 19.326 9.934 -4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 392 21.759 9.214 -5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 392 22.083 10.930 -4.918 1.00 0.00 H new ATOM 0 HD2 ARG A 392 21.589 10.960 -2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 392 20.726 9.436 -2.664 1.00 0.00 H new ATOM 0 HE ARG A 392 23.471 9.038 -3.449 1.00 0.00 H new ATOM 0 HH11 ARG A 392 21.411 9.668 -0.652 1.00 0.00 H new ATOM 0 HH12 ARG A 392 22.519 8.890 0.483 1.00 0.00 H new ATOM 0 HH21 ARG A 392 24.889 8.042 -1.984 1.00 0.00 H new ATOM 0 HH22 ARG A 392 24.479 7.973 -0.267 1.00 0.00 H new ATOM 667 N THR A 393 19.287 7.628 -6.004 1.00 0.00 N ATOM 668 CA THR A 393 19.572 6.204 -6.133 1.00 0.00 C ATOM 669 C THR A 393 18.843 5.603 -7.328 1.00 0.00 C ATOM 670 O THR A 393 19.194 4.524 -7.804 1.00 0.00 O ATOM 671 CB THR A 393 19.170 5.434 -4.860 1.00 0.00 C ATOM 672 OG1 THR A 393 17.806 5.720 -4.526 1.00 0.00 O ATOM 673 CG2 THR A 393 20.072 5.806 -3.694 1.00 0.00 C ATOM 0 H THR A 393 18.470 7.845 -5.433 1.00 0.00 H new ATOM 0 HA THR A 393 20.647 6.109 -6.283 1.00 0.00 H new ATOM 0 HB THR A 393 19.280 4.368 -5.057 1.00 0.00 H new ATOM 0 HG1 THR A 393 17.439 4.985 -3.991 1.00 0.00 H new ATOM 0 HG21 THR A 393 19.768 5.250 -2.807 1.00 0.00 H new ATOM 0 HG22 THR A 393 21.105 5.561 -3.940 1.00 0.00 H new ATOM 0 HG23 THR A 393 19.990 6.875 -3.497 1.00 0.00 H new ATOM 681 N GLY A 394 17.826 6.309 -7.811 1.00 0.00 N ATOM 682 CA GLY A 394 17.063 5.830 -8.950 1.00 0.00 C ATOM 683 C GLY A 394 16.363 4.515 -8.666 1.00 0.00 C ATOM 684 O GLY A 394 16.112 3.729 -9.579 1.00 0.00 O ATOM 0 H GLY A 394 17.516 7.205 -7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 394 16.323 6.580 -9.229 1.00 0.00 H new ATOM 0 HA3 GLY A 394 17.729 5.707 -9.804 1.00 0.00 H new ATOM 688 N GLN A 395 16.049 4.276 -7.397 1.00 0.00 N ATOM 689 CA GLN A 395 15.377 3.046 -6.996 1.00 0.00 C ATOM 690 C GLN A 395 13.980 3.339 -6.458 1.00 0.00 C ATOM 691 O GLN A 395 13.700 4.423 -5.946 1.00 0.00 O ATOM 692 CB GLN A 395 16.199 2.312 -5.937 1.00 0.00 C ATOM 693 CG GLN A 395 17.586 1.908 -6.414 1.00 0.00 C ATOM 694 CD GLN A 395 18.151 0.735 -5.639 1.00 0.00 C ATOM 695 OE1 GLN A 395 18.315 0.801 -4.421 1.00 0.00 O ATOM 696 NE2 GLN A 395 18.453 -0.350 -6.344 1.00 0.00 N ATOM 0 H GLN A 395 16.249 4.917 -6.630 1.00 0.00 H new ATOM 0 HA GLN A 395 15.282 2.411 -7.877 1.00 0.00 H new ATOM 0 HB2 GLN A 395 16.298 2.950 -5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 395 15.658 1.420 -5.623 1.00 0.00 H new ATOM 0 HG2 GLN A 395 17.542 1.652 -7.472 1.00 0.00 H new ATOM 0 HG3 GLN A 395 18.260 2.759 -6.320 1.00 0.00 H new ATOM 0 HE21 GLN A 395 18.301 -0.362 -7.353 1.00 0.00 H new ATOM 0 HE22 GLN A 395 18.837 -1.171 -5.877 1.00 0.00 H new ATOM 705 N PRO A 396 13.080 2.352 -6.578 1.00 0.00 N ATOM 706 CA PRO A 396 11.696 2.481 -6.109 1.00 0.00 C ATOM 707 C PRO A 396 11.600 2.518 -4.588 1.00 0.00 C ATOM 708 O PRO A 396 12.389 1.878 -3.892 1.00 0.00 O ATOM 709 CB PRO A 396 11.017 1.224 -6.657 1.00 0.00 C ATOM 710 CG PRO A 396 12.121 0.236 -6.815 1.00 0.00 C ATOM 711 CD PRO A 396 13.343 1.034 -7.178 1.00 0.00 C ATOM 0 HA PRO A 396 11.237 3.411 -6.445 1.00 0.00 H new ATOM 0 HB2 PRO A 396 10.252 0.857 -5.973 1.00 0.00 H new ATOM 0 HB3 PRO A 396 10.524 1.423 -7.609 1.00 0.00 H new ATOM 0 HG2 PRO A 396 12.280 -0.323 -5.893 1.00 0.00 H new ATOM 0 HG3 PRO A 396 11.885 -0.492 -7.592 1.00 0.00 H new ATOM 0 HD2 PRO A 396 14.251 0.584 -6.777 1.00 0.00 H new ATOM 0 HD3 PRO A 396 13.472 1.103 -8.258 1.00 0.00 H new ATOM 719 N MET A 397 10.631 3.269 -4.078 1.00 0.00 N ATOM 720 CA MET A 397 10.432 3.388 -2.638 1.00 0.00 C ATOM 721 C MET A 397 9.653 2.193 -2.097 1.00 0.00 C ATOM 722 O MET A 397 8.769 2.348 -1.254 1.00 0.00 O ATOM 723 CB MET A 397 9.692 4.685 -2.308 1.00 0.00 C ATOM 724 CG MET A 397 10.470 5.939 -2.678 1.00 0.00 C ATOM 725 SD MET A 397 11.523 6.523 -1.336 1.00 0.00 S ATOM 726 CE MET A 397 13.118 6.557 -2.149 1.00 0.00 C ATOM 0 H MET A 397 9.970 3.805 -4.640 1.00 0.00 H new ATOM 0 HA MET A 397 11.412 3.407 -2.162 1.00 0.00 H new ATOM 0 HB2 MET A 397 8.736 4.692 -2.832 1.00 0.00 H new ATOM 0 HB3 MET A 397 9.470 4.706 -1.241 1.00 0.00 H new ATOM 0 HG2 MET A 397 11.085 5.735 -3.555 1.00 0.00 H new ATOM 0 HG3 MET A 397 9.770 6.728 -2.955 1.00 0.00 H new ATOM 0 HE1 MET A 397 13.878 6.899 -1.446 1.00 0.00 H new ATOM 0 HE2 MET A 397 13.370 5.555 -2.497 1.00 0.00 H new ATOM 0 HE3 MET A 397 13.078 7.237 -3.000 1.00 0.00 H new ATOM 736 N ILE A 398 9.984 1.004 -2.589 1.00 0.00 N ATOM 737 CA ILE A 398 9.315 -0.216 -2.154 1.00 0.00 C ATOM 738 C ILE A 398 10.138 -0.948 -1.100 1.00 0.00 C ATOM 739 O ILE A 398 11.355 -1.082 -1.229 1.00 0.00 O ATOM 740 CB ILE A 398 9.054 -1.167 -3.337 1.00 0.00 C ATOM 741 CG1 ILE A 398 8.041 -0.548 -4.303 1.00 0.00 C ATOM 742 CG2 ILE A 398 8.559 -2.514 -2.834 1.00 0.00 C ATOM 743 CD1 ILE A 398 7.881 -1.326 -5.591 1.00 0.00 C ATOM 0 H ILE A 398 10.711 0.859 -3.289 1.00 0.00 H new ATOM 0 HA ILE A 398 8.360 0.084 -1.722 1.00 0.00 H new ATOM 0 HB ILE A 398 9.990 -1.323 -3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 398 7.073 -0.479 -3.807 1.00 0.00 H new ATOM 0 HG13 ILE A 398 8.351 0.470 -4.539 1.00 0.00 H new ATOM 0 HG21 ILE A 398 8.379 -3.175 -3.682 1.00 0.00 H new ATOM 0 HG22 ILE A 398 9.311 -2.957 -2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 398 7.632 -2.376 -2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 398 7.148 -0.830 -6.227 1.00 0.00 H new ATOM 0 HD12 ILE A 398 8.839 -1.373 -6.109 1.00 0.00 H new ATOM 0 HD13 ILE A 398 7.541 -2.337 -5.366 1.00 0.00 H new ATOM 755 N HIS A 399 9.466 -1.422 -0.057 1.00 0.00 N ATOM 756 CA HIS A 399 10.135 -2.144 1.021 1.00 0.00 C ATOM 757 C HIS A 399 9.654 -3.591 1.085 1.00 0.00 C ATOM 758 O HIS A 399 8.473 -3.873 0.873 1.00 0.00 O ATOM 759 CB HIS A 399 9.885 -1.451 2.360 1.00 0.00 C ATOM 760 CG HIS A 399 11.008 -1.614 3.337 1.00 0.00 C ATOM 761 ND1 HIS A 399 12.225 -0.983 3.195 1.00 0.00 N ATOM 762 CD2 HIS A 399 11.092 -2.339 4.477 1.00 0.00 C ATOM 763 CE1 HIS A 399 13.011 -1.314 4.204 1.00 0.00 C ATOM 764 NE2 HIS A 399 12.347 -2.136 4.997 1.00 0.00 N ATOM 0 H HIS A 399 8.459 -1.320 0.066 1.00 0.00 H new ATOM 0 HA HIS A 399 11.206 -2.144 0.816 1.00 0.00 H new ATOM 0 HB2 HIS A 399 9.718 -0.388 2.184 1.00 0.00 H new ATOM 0 HB3 HIS A 399 8.971 -1.848 2.800 1.00 0.00 H new ATOM 0 HD2 HIS A 399 10.317 -2.961 4.899 1.00 0.00 H new ATOM 0 HE1 HIS A 399 14.024 -0.971 4.355 1.00 0.00 H new ATOM 0 HE2 HIS A 399 12.708 -2.552 5.856 1.00 0.00 H new ATOM 772 N ILE A 400 10.574 -4.503 1.378 1.00 0.00 N ATOM 773 CA ILE A 400 10.244 -5.920 1.470 1.00 0.00 C ATOM 774 C ILE A 400 10.874 -6.551 2.708 1.00 0.00 C ATOM 775 O ILE A 400 12.025 -6.987 2.678 1.00 0.00 O ATOM 776 CB ILE A 400 10.710 -6.690 0.221 1.00 0.00 C ATOM 777 CG1 ILE A 400 10.031 -6.132 -1.032 1.00 0.00 C ATOM 778 CG2 ILE A 400 10.417 -8.174 0.373 1.00 0.00 C ATOM 779 CD1 ILE A 400 10.457 -6.822 -2.308 1.00 0.00 C ATOM 0 H ILE A 400 11.555 -4.286 1.556 1.00 0.00 H new ATOM 0 HA ILE A 400 9.158 -5.987 1.543 1.00 0.00 H new ATOM 0 HB ILE A 400 11.787 -6.562 0.115 1.00 0.00 H new ATOM 0 HG12 ILE A 400 8.951 -6.225 -0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 400 10.253 -5.068 -1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 400 10.752 -8.704 -0.518 1.00 0.00 H new ATOM 0 HG22 ILE A 400 10.943 -8.561 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 400 9.345 -8.322 0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 400 9.936 -6.375 -3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 400 11.533 -6.707 -2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 400 10.210 -7.882 -2.248 1.00 0.00 H new ATOM 791 N TYR A 401 10.110 -6.600 3.794 1.00 0.00 N ATOM 792 CA TYR A 401 10.594 -7.178 5.042 1.00 0.00 C ATOM 793 C TYR A 401 10.984 -8.640 4.849 1.00 0.00 C ATOM 794 O TYR A 401 10.185 -9.452 4.382 1.00 0.00 O ATOM 795 CB TYR A 401 9.524 -7.064 6.129 1.00 0.00 C ATOM 796 CG TYR A 401 8.831 -5.719 6.158 1.00 0.00 C ATOM 797 CD1 TYR A 401 7.776 -5.441 5.298 1.00 0.00 C ATOM 798 CD2 TYR A 401 9.233 -4.728 7.044 1.00 0.00 C ATOM 799 CE1 TYR A 401 7.141 -4.214 5.320 1.00 0.00 C ATOM 800 CE2 TYR A 401 8.603 -3.500 7.075 1.00 0.00 C ATOM 801 CZ TYR A 401 7.558 -3.247 6.211 1.00 0.00 C ATOM 802 OH TYR A 401 6.928 -2.023 6.237 1.00 0.00 O ATOM 0 H TYR A 401 9.154 -6.247 3.835 1.00 0.00 H new ATOM 0 HA TYR A 401 11.479 -6.622 5.352 1.00 0.00 H new ATOM 0 HB2 TYR A 401 8.778 -7.844 5.976 1.00 0.00 H new ATOM 0 HB3 TYR A 401 9.984 -7.248 7.100 1.00 0.00 H new ATOM 0 HD1 TYR A 401 7.447 -6.197 4.600 1.00 0.00 H new ATOM 0 HD2 TYR A 401 10.053 -4.921 7.720 1.00 0.00 H new ATOM 0 HE1 TYR A 401 6.323 -4.013 4.644 1.00 0.00 H new ATOM 0 HE2 TYR A 401 8.927 -2.741 7.772 1.00 0.00 H new ATOM 0 HH TYR A 401 7.342 -1.457 6.922 1.00 0.00 H new ATOM 812 N LEU A 402 12.219 -8.968 5.214 1.00 0.00 N ATOM 813 CA LEU A 402 12.718 -10.333 5.084 1.00 0.00 C ATOM 814 C LEU A 402 12.875 -10.989 6.451 1.00 0.00 C ATOM 815 O LEU A 402 13.370 -10.371 7.394 1.00 0.00 O ATOM 816 CB LEU A 402 14.058 -10.339 4.347 1.00 0.00 C ATOM 817 CG LEU A 402 14.094 -9.588 3.015 1.00 0.00 C ATOM 818 CD1 LEU A 402 15.483 -9.661 2.399 1.00 0.00 C ATOM 819 CD2 LEU A 402 13.054 -10.151 2.057 1.00 0.00 C ATOM 0 H LEU A 402 12.893 -8.308 5.602 1.00 0.00 H new ATOM 0 HA LEU A 402 11.990 -10.905 4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 402 14.814 -9.909 5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 402 14.346 -11.375 4.165 1.00 0.00 H new ATOM 0 HG LEU A 402 13.856 -8.541 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 402 15.490 -9.121 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 402 16.207 -9.211 3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 402 15.749 -10.703 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 402 13.094 -9.605 1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 402 13.261 -11.205 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 402 12.061 -10.047 2.495 1.00 0.00 H new ATOM 831 N ASP A 403 12.451 -12.244 6.552 1.00 0.00 N ATOM 832 CA ASP A 403 12.547 -12.987 7.804 1.00 0.00 C ATOM 833 C ASP A 403 13.984 -13.000 8.318 1.00 0.00 C ATOM 834 O ASP A 403 14.920 -13.278 7.569 1.00 0.00 O ATOM 835 CB ASP A 403 12.047 -14.418 7.613 1.00 0.00 C ATOM 836 CG ASP A 403 11.403 -14.979 8.866 1.00 0.00 C ATOM 837 OD1 ASP A 403 11.904 -14.687 9.973 1.00 0.00 O ATOM 838 OD2 ASP A 403 10.398 -15.708 8.741 1.00 0.00 O ATOM 0 H ASP A 403 12.037 -12.769 5.781 1.00 0.00 H new ATOM 0 HA ASP A 403 11.920 -12.489 8.543 1.00 0.00 H new ATOM 0 HB2 ASP A 403 11.326 -14.442 6.796 1.00 0.00 H new ATOM 0 HB3 ASP A 403 12.882 -15.055 7.320 1.00 0.00 H new ATOM 843 N LYS A 404 14.152 -12.699 9.601 1.00 0.00 N ATOM 844 CA LYS A 404 15.473 -12.677 10.217 1.00 0.00 C ATOM 845 C LYS A 404 15.936 -14.089 10.560 1.00 0.00 C ATOM 846 O LYS A 404 17.070 -14.291 10.994 1.00 0.00 O ATOM 847 CB LYS A 404 15.456 -11.813 11.480 1.00 0.00 C ATOM 848 CG LYS A 404 14.746 -12.465 12.653 1.00 0.00 C ATOM 849 CD LYS A 404 14.348 -11.442 13.703 1.00 0.00 C ATOM 850 CE LYS A 404 13.113 -10.661 13.282 1.00 0.00 C ATOM 851 NZ LYS A 404 11.857 -11.385 13.621 1.00 0.00 N ATOM 0 H LYS A 404 13.388 -12.466 10.235 1.00 0.00 H new ATOM 0 HA LYS A 404 16.173 -12.247 9.501 1.00 0.00 H new ATOM 0 HB2 LYS A 404 16.482 -11.585 11.768 1.00 0.00 H new ATOM 0 HB3 LYS A 404 14.970 -10.864 11.254 1.00 0.00 H new ATOM 0 HG2 LYS A 404 13.858 -12.987 12.297 1.00 0.00 H new ATOM 0 HG3 LYS A 404 15.397 -13.215 13.103 1.00 0.00 H new ATOM 0 HD2 LYS A 404 14.155 -11.947 14.649 1.00 0.00 H new ATOM 0 HD3 LYS A 404 15.175 -10.753 13.872 1.00 0.00 H new ATOM 0 HE2 LYS A 404 13.115 -9.687 13.772 1.00 0.00 H new ATOM 0 HE3 LYS A 404 13.148 -10.477 12.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 404 11.038 -10.820 13.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 404 11.843 -12.304 13.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 404 11.811 -11.538 14.649 1.00 0.00 H new ATOM 865 N GLU A 405 15.052 -15.063 10.362 1.00 0.00 N ATOM 866 CA GLU A 405 15.372 -16.455 10.651 1.00 0.00 C ATOM 867 C GLU A 405 15.803 -17.189 9.384 1.00 0.00 C ATOM 868 O GLU A 405 16.513 -18.193 9.444 1.00 0.00 O ATOM 869 CB GLU A 405 14.167 -17.160 11.276 1.00 0.00 C ATOM 870 CG GLU A 405 13.407 -16.299 12.271 1.00 0.00 C ATOM 871 CD GLU A 405 12.763 -17.113 13.376 1.00 0.00 C ATOM 872 OE1 GLU A 405 12.444 -18.296 13.133 1.00 0.00 O ATOM 873 OE2 GLU A 405 12.578 -16.567 14.484 1.00 0.00 O ATOM 0 H GLU A 405 14.109 -14.913 10.003 1.00 0.00 H new ATOM 0 HA GLU A 405 16.200 -16.470 11.359 1.00 0.00 H new ATOM 0 HB2 GLU A 405 13.487 -17.470 10.483 1.00 0.00 H new ATOM 0 HB3 GLU A 405 14.507 -18.066 11.777 1.00 0.00 H new ATOM 0 HG2 GLU A 405 14.089 -15.572 12.711 1.00 0.00 H new ATOM 0 HG3 GLU A 405 12.637 -15.736 11.744 1.00 0.00 H new ATOM 880 N THR A 406 15.367 -16.680 8.235 1.00 0.00 N ATOM 881 CA THR A 406 15.704 -17.286 6.954 1.00 0.00 C ATOM 882 C THR A 406 16.282 -16.253 5.992 1.00 0.00 C ATOM 883 O THR A 406 17.180 -16.555 5.208 1.00 0.00 O ATOM 884 CB THR A 406 14.474 -17.945 6.303 1.00 0.00 C ATOM 885 OG1 THR A 406 13.483 -16.953 6.009 1.00 0.00 O ATOM 886 CG2 THR A 406 13.880 -19.006 7.217 1.00 0.00 C ATOM 0 H THR A 406 14.779 -15.849 8.167 1.00 0.00 H new ATOM 0 HA THR A 406 16.453 -18.052 7.154 1.00 0.00 H new ATOM 0 HB THR A 406 14.794 -18.423 5.377 1.00 0.00 H new ATOM 0 HG1 THR A 406 12.591 -17.357 6.058 1.00 0.00 H new ATOM 0 HG21 THR A 406 13.013 -19.457 6.735 1.00 0.00 H new ATOM 0 HG22 THR A 406 14.626 -19.775 7.414 1.00 0.00 H new ATOM 0 HG23 THR A 406 13.575 -18.547 8.157 1.00 0.00 H new ATOM 894 N GLY A 407 15.760 -15.032 6.059 1.00 0.00 N ATOM 895 CA GLY A 407 16.236 -13.973 5.188 1.00 0.00 C ATOM 896 C GLY A 407 15.360 -13.788 3.965 1.00 0.00 C ATOM 897 O GLY A 407 15.578 -12.877 3.167 1.00 0.00 O ATOM 0 H GLY A 407 15.016 -14.757 6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 407 16.276 -13.038 5.747 1.00 0.00 H new ATOM 0 HA3 GLY A 407 17.254 -14.198 4.871 1.00 0.00 H new ATOM 901 N LYS A 408 14.364 -14.656 3.816 1.00 0.00 N ATOM 902 CA LYS A 408 13.451 -14.586 2.683 1.00 0.00 C ATOM 903 C LYS A 408 12.306 -13.619 2.966 1.00 0.00 C ATOM 904 O LYS A 408 11.961 -13.348 4.116 1.00 0.00 O ATOM 905 CB LYS A 408 12.893 -15.974 2.364 1.00 0.00 C ATOM 906 CG LYS A 408 13.826 -17.108 2.752 1.00 0.00 C ATOM 907 CD LYS A 408 13.284 -18.455 2.303 1.00 0.00 C ATOM 908 CE LYS A 408 12.208 -18.967 3.249 1.00 0.00 C ATOM 909 NZ LYS A 408 10.851 -18.502 2.852 1.00 0.00 N ATOM 0 H LYS A 408 14.170 -15.417 4.467 1.00 0.00 H new ATOM 0 HA LYS A 408 14.009 -14.219 1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 408 11.943 -16.103 2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 408 12.684 -16.036 1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 408 14.807 -16.942 2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 408 13.964 -17.113 3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 408 12.873 -18.366 1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 408 14.099 -19.177 2.252 1.00 0.00 H new ATOM 0 HE2 LYS A 408 12.228 -20.057 3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 408 12.425 -18.629 4.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 10.139 -19.183 3.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 10.665 -17.571 3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 10.799 -18.427 1.816 1.00 0.00 H new ATOM 923 N PRO A 409 11.700 -13.086 1.894 1.00 0.00 N ATOM 924 CA PRO A 409 10.584 -12.143 2.002 1.00 0.00 C ATOM 925 C PRO A 409 9.311 -12.809 2.512 1.00 0.00 C ATOM 926 O PRO A 409 8.512 -13.325 1.730 1.00 0.00 O ATOM 927 CB PRO A 409 10.393 -11.653 0.565 1.00 0.00 C ATOM 928 CG PRO A 409 10.927 -12.754 -0.285 1.00 0.00 C ATOM 929 CD PRO A 409 12.060 -13.364 0.493 1.00 0.00 C ATOM 0 HA PRO A 409 10.792 -11.345 2.714 1.00 0.00 H new ATOM 0 HB2 PRO A 409 9.342 -11.460 0.349 1.00 0.00 H new ATOM 0 HB3 PRO A 409 10.931 -10.721 0.390 1.00 0.00 H new ATOM 0 HG2 PRO A 409 10.155 -13.494 -0.496 1.00 0.00 H new ATOM 0 HG3 PRO A 409 11.274 -12.373 -1.246 1.00 0.00 H new ATOM 0 HD2 PRO A 409 12.146 -14.434 0.305 1.00 0.00 H new ATOM 0 HD3 PRO A 409 13.017 -12.915 0.227 1.00 0.00 H new ATOM 937 N LYS A 410 9.125 -12.792 3.828 1.00 0.00 N ATOM 938 CA LYS A 410 7.948 -13.393 4.443 1.00 0.00 C ATOM 939 C LYS A 410 6.740 -13.293 3.517 1.00 0.00 C ATOM 940 O LYS A 410 6.072 -14.290 3.244 1.00 0.00 O ATOM 941 CB LYS A 410 7.639 -12.708 5.777 1.00 0.00 C ATOM 942 CG LYS A 410 7.869 -11.207 5.757 1.00 0.00 C ATOM 943 CD LYS A 410 8.093 -10.659 7.157 1.00 0.00 C ATOM 944 CE LYS A 410 6.790 -10.569 7.936 1.00 0.00 C ATOM 945 NZ LYS A 410 6.481 -11.838 8.650 1.00 0.00 N ATOM 0 H LYS A 410 9.775 -12.368 4.489 1.00 0.00 H new ATOM 0 HA LYS A 410 8.160 -14.447 4.623 1.00 0.00 H new ATOM 0 HB2 LYS A 410 6.601 -12.905 6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.259 -13.152 6.556 1.00 0.00 H new ATOM 0 HG2 LYS A 410 8.733 -10.979 5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 410 7.010 -10.712 5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 410 8.794 -11.300 7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 410 8.549 -9.671 7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 410 6.853 -9.753 8.656 1.00 0.00 H new ATOM 0 HE3 LYS A 410 5.975 -10.329 7.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 5.556 -12.196 8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 7.215 -12.544 8.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 6.456 -11.663 9.675 1.00 0.00 H new ATOM 959 N GLY A 411 6.466 -12.084 3.036 1.00 0.00 N ATOM 960 CA GLY A 411 5.339 -11.878 2.145 1.00 0.00 C ATOM 961 C GLY A 411 4.767 -10.478 2.247 1.00 0.00 C ATOM 962 O GLY A 411 3.958 -10.069 1.415 1.00 0.00 O ATOM 0 H GLY A 411 7.004 -11.244 3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 411 5.653 -12.065 1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 411 4.559 -12.603 2.377 1.00 0.00 H new ATOM 966 N ASP A 412 5.187 -9.743 3.271 1.00 0.00 N ATOM 967 CA ASP A 412 4.710 -8.381 3.480 1.00 0.00 C ATOM 968 C ASP A 412 5.655 -7.370 2.837 1.00 0.00 C ATOM 969 O ASP A 412 6.848 -7.630 2.685 1.00 0.00 O ATOM 970 CB ASP A 412 4.573 -8.090 4.975 1.00 0.00 C ATOM 971 CG ASP A 412 5.895 -8.197 5.710 1.00 0.00 C ATOM 972 OD1 ASP A 412 6.906 -8.545 5.064 1.00 0.00 O ATOM 973 OD2 ASP A 412 5.919 -7.933 6.930 1.00 0.00 O ATOM 0 H ASP A 412 5.856 -10.067 3.969 1.00 0.00 H new ATOM 0 HA ASP A 412 3.732 -8.288 3.008 1.00 0.00 H new ATOM 0 HB2 ASP A 412 4.165 -7.088 5.111 1.00 0.00 H new ATOM 0 HB3 ASP A 412 3.859 -8.787 5.414 1.00 0.00 H new ATOM 978 N ALA A 413 5.111 -6.218 2.459 1.00 0.00 N ATOM 979 CA ALA A 413 5.905 -5.168 1.834 1.00 0.00 C ATOM 980 C ALA A 413 5.150 -3.843 1.818 1.00 0.00 C ATOM 981 O ALA A 413 3.975 -3.782 2.185 1.00 0.00 O ATOM 982 CB ALA A 413 6.294 -5.572 0.419 1.00 0.00 C ATOM 0 H ALA A 413 4.124 -5.988 2.575 1.00 0.00 H new ATOM 0 HA ALA A 413 6.811 -5.033 2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 413 6.887 -4.778 -0.036 1.00 0.00 H new ATOM 0 HB2 ALA A 413 6.881 -6.490 0.451 1.00 0.00 H new ATOM 0 HB3 ALA A 413 5.394 -5.737 -0.173 1.00 0.00 H new ATOM 988 N THR A 414 5.831 -2.783 1.394 1.00 0.00 N ATOM 989 CA THR A 414 5.225 -1.460 1.333 1.00 0.00 C ATOM 990 C THR A 414 5.632 -0.726 0.060 1.00 0.00 C ATOM 991 O THR A 414 6.780 -0.809 -0.376 1.00 0.00 O ATOM 992 CB THR A 414 5.619 -0.605 2.552 1.00 0.00 C ATOM 993 OG1 THR A 414 6.964 -0.901 2.943 1.00 0.00 O ATOM 994 CG2 THR A 414 4.678 -0.861 3.719 1.00 0.00 C ATOM 0 H THR A 414 6.803 -2.816 1.088 1.00 0.00 H new ATOM 0 HA THR A 414 4.145 -1.607 1.335 1.00 0.00 H new ATOM 0 HB THR A 414 5.546 0.446 2.271 1.00 0.00 H new ATOM 0 HG1 THR A 414 7.208 -0.352 3.718 1.00 0.00 H new ATOM 0 HG21 THR A 414 4.976 -0.246 4.568 1.00 0.00 H new ATOM 0 HG22 THR A 414 3.659 -0.607 3.427 1.00 0.00 H new ATOM 0 HG23 THR A 414 4.724 -1.913 3.999 1.00 0.00 H new ATOM 1002 N VAL A 415 4.684 -0.008 -0.533 1.00 0.00 N ATOM 1003 CA VAL A 415 4.944 0.742 -1.756 1.00 0.00 C ATOM 1004 C VAL A 415 4.580 2.213 -1.587 1.00 0.00 C ATOM 1005 O VAL A 415 3.418 2.553 -1.364 1.00 0.00 O ATOM 1006 CB VAL A 415 4.158 0.163 -2.947 1.00 0.00 C ATOM 1007 CG1 VAL A 415 4.509 0.904 -4.229 1.00 0.00 C ATOM 1008 CG2 VAL A 415 4.430 -1.326 -3.091 1.00 0.00 C ATOM 0 H VAL A 415 3.728 0.070 -0.186 1.00 0.00 H new ATOM 0 HA VAL A 415 6.012 0.656 -1.959 1.00 0.00 H new ATOM 0 HB VAL A 415 3.093 0.298 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 415 3.944 0.481 -5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 415 4.259 1.959 -4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 415 5.576 0.803 -4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 415 3.866 -1.719 -3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 415 5.495 -1.487 -3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 415 4.124 -1.842 -2.181 1.00 0.00 H new ATOM 1018 N SER A 416 5.581 3.080 -1.695 1.00 0.00 N ATOM 1019 CA SER A 416 5.367 4.516 -1.551 1.00 0.00 C ATOM 1020 C SER A 416 5.115 5.167 -2.908 1.00 0.00 C ATOM 1021 O SER A 416 6.009 5.234 -3.751 1.00 0.00 O ATOM 1022 CB SER A 416 6.575 5.168 -0.877 1.00 0.00 C ATOM 1023 OG SER A 416 6.566 4.935 0.522 1.00 0.00 O ATOM 0 H SER A 416 6.548 2.814 -1.882 1.00 0.00 H new ATOM 0 HA SER A 416 4.486 4.666 -0.926 1.00 0.00 H new ATOM 0 HB2 SER A 416 7.494 4.772 -1.309 1.00 0.00 H new ATOM 0 HB3 SER A 416 6.568 6.241 -1.070 1.00 0.00 H new ATOM 0 HG SER A 416 7.349 5.360 0.930 1.00 0.00 H new ATOM 1029 N TYR A 417 3.891 5.644 -3.110 1.00 0.00 N ATOM 1030 CA TYR A 417 3.519 6.286 -4.364 1.00 0.00 C ATOM 1031 C TYR A 417 3.857 7.774 -4.335 1.00 0.00 C ATOM 1032 O TYR A 417 4.051 8.356 -3.269 1.00 0.00 O ATOM 1033 CB TYR A 417 2.026 6.096 -4.636 1.00 0.00 C ATOM 1034 CG TYR A 417 1.663 4.695 -5.070 1.00 0.00 C ATOM 1035 CD1 TYR A 417 1.974 4.239 -6.345 1.00 0.00 C ATOM 1036 CD2 TYR A 417 1.010 3.825 -4.205 1.00 0.00 C ATOM 1037 CE1 TYR A 417 1.644 2.958 -6.747 1.00 0.00 C ATOM 1038 CE2 TYR A 417 0.677 2.543 -4.597 1.00 0.00 C ATOM 1039 CZ TYR A 417 0.995 2.114 -5.869 1.00 0.00 C ATOM 1040 OH TYR A 417 0.666 0.838 -6.264 1.00 0.00 O ATOM 0 H TYR A 417 3.140 5.598 -2.421 1.00 0.00 H new ATOM 0 HA TYR A 417 4.090 5.817 -5.166 1.00 0.00 H new ATOM 0 HB2 TYR A 417 1.467 6.344 -3.734 1.00 0.00 H new ATOM 0 HB3 TYR A 417 1.714 6.799 -5.408 1.00 0.00 H new ATOM 0 HD1 TYR A 417 2.483 4.897 -7.034 1.00 0.00 H new ATOM 0 HD2 TYR A 417 0.758 4.157 -3.209 1.00 0.00 H new ATOM 0 HE1 TYR A 417 1.893 2.620 -7.742 1.00 0.00 H new ATOM 0 HE2 TYR A 417 0.170 1.880 -3.911 1.00 0.00 H new ATOM 0 HH TYR A 417 0.989 0.685 -7.176 1.00 0.00 H new ATOM 1050 N GLU A 418 3.927 8.381 -5.515 1.00 0.00 N ATOM 1051 CA GLU A 418 4.241 9.801 -5.625 1.00 0.00 C ATOM 1052 C GLU A 418 3.282 10.638 -4.786 1.00 0.00 C ATOM 1053 O GLU A 418 3.681 11.261 -3.802 1.00 0.00 O ATOM 1054 CB GLU A 418 4.179 10.248 -7.088 1.00 0.00 C ATOM 1055 CG GLU A 418 5.166 9.524 -7.988 1.00 0.00 C ATOM 1056 CD GLU A 418 6.508 10.229 -8.068 1.00 0.00 C ATOM 1057 OE1 GLU A 418 7.032 10.628 -7.007 1.00 0.00 O ATOM 1058 OE2 GLU A 418 7.032 10.382 -9.191 1.00 0.00 O ATOM 0 H GLU A 418 3.771 7.913 -6.408 1.00 0.00 H new ATOM 0 HA GLU A 418 5.252 9.953 -5.248 1.00 0.00 H new ATOM 0 HB2 GLU A 418 3.169 10.086 -7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 418 4.371 11.320 -7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 418 5.314 8.510 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 418 4.744 9.439 -8.989 1.00 0.00 H new ATOM 1065 N ASP A 419 2.013 10.647 -5.181 1.00 0.00 N ATOM 1066 CA ASP A 419 0.994 11.407 -4.464 1.00 0.00 C ATOM 1067 C ASP A 419 -0.044 10.475 -3.846 1.00 0.00 C ATOM 1068 O ASP A 419 -0.239 9.342 -4.288 1.00 0.00 O ATOM 1069 CB ASP A 419 0.311 12.399 -5.406 1.00 0.00 C ATOM 1070 CG ASP A 419 1.293 13.083 -6.338 1.00 0.00 C ATOM 1071 OD1 ASP A 419 2.465 13.249 -5.944 1.00 0.00 O ATOM 1072 OD2 ASP A 419 0.887 13.451 -7.460 1.00 0.00 O ATOM 0 H ASP A 419 1.665 10.137 -5.993 1.00 0.00 H new ATOM 0 HA ASP A 419 1.484 11.959 -3.662 1.00 0.00 H new ATOM 0 HB2 ASP A 419 -0.442 11.876 -5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 419 -0.212 13.153 -4.818 1.00 0.00 H new ATOM 1077 N PRO A 420 -0.726 10.961 -2.798 1.00 0.00 N ATOM 1078 CA PRO A 420 -1.756 10.188 -2.097 1.00 0.00 C ATOM 1079 C PRO A 420 -2.871 9.728 -3.029 1.00 0.00 C ATOM 1080 O PRO A 420 -3.332 8.588 -2.968 1.00 0.00 O ATOM 1081 CB PRO A 420 -2.299 11.177 -1.062 1.00 0.00 C ATOM 1082 CG PRO A 420 -1.220 12.195 -0.910 1.00 0.00 C ATOM 1083 CD PRO A 420 -0.545 12.302 -2.219 1.00 0.00 C ATOM 0 HA PRO A 420 -1.353 9.273 -1.663 1.00 0.00 H new ATOM 0 HB2 PRO A 420 -3.229 11.633 -1.400 1.00 0.00 H new ATOM 0 HB3 PRO A 420 -2.513 10.682 -0.115 1.00 0.00 H new ATOM 0 HG2 PRO A 420 -1.636 13.157 -0.610 1.00 0.00 H new ATOM 0 HG3 PRO A 420 -0.514 11.897 -0.135 1.00 0.00 H new ATOM 0 HD2 PRO A 420 -0.995 13.075 -2.843 1.00 0.00 H new ATOM 0 HD3 PRO A 420 0.510 12.555 -2.109 1.00 0.00 H new ATOM 1091 N PRO A 421 -3.315 10.632 -3.914 1.00 0.00 N ATOM 1092 CA PRO A 421 -4.381 10.341 -4.878 1.00 0.00 C ATOM 1093 C PRO A 421 -4.126 9.052 -5.652 1.00 0.00 C ATOM 1094 O PRO A 421 -5.061 8.396 -6.111 1.00 0.00 O ATOM 1095 CB PRO A 421 -4.347 11.546 -5.820 1.00 0.00 C ATOM 1096 CG PRO A 421 -3.754 12.645 -5.008 1.00 0.00 C ATOM 1097 CD PRO A 421 -2.810 12.010 -4.043 1.00 0.00 C ATOM 0 HA PRO A 421 -5.344 10.193 -4.389 1.00 0.00 H new ATOM 0 HB2 PRO A 421 -3.746 11.339 -6.706 1.00 0.00 H new ATOM 0 HB3 PRO A 421 -5.347 11.806 -6.167 1.00 0.00 H new ATOM 0 HG2 PRO A 421 -3.232 13.358 -5.646 1.00 0.00 H new ATOM 0 HG3 PRO A 421 -4.531 13.198 -4.481 1.00 0.00 H new ATOM 0 HD2 PRO A 421 -1.786 12.028 -4.415 1.00 0.00 H new ATOM 0 HD3 PRO A 421 -2.810 12.528 -3.084 1.00 0.00 H new ATOM 1105 N THR A 422 -2.854 8.693 -5.793 1.00 0.00 N ATOM 1106 CA THR A 422 -2.477 7.483 -6.512 1.00 0.00 C ATOM 1107 C THR A 422 -2.432 6.279 -5.577 1.00 0.00 C ATOM 1108 O THR A 422 -2.873 5.187 -5.935 1.00 0.00 O ATOM 1109 CB THR A 422 -1.103 7.640 -7.193 1.00 0.00 C ATOM 1110 OG1 THR A 422 -1.111 8.787 -8.050 1.00 0.00 O ATOM 1111 CG2 THR A 422 -0.756 6.399 -8.001 1.00 0.00 C ATOM 0 H THR A 422 -2.067 9.223 -5.418 1.00 0.00 H new ATOM 0 HA THR A 422 -3.237 7.319 -7.275 1.00 0.00 H new ATOM 0 HB THR A 422 -0.349 7.772 -6.417 1.00 0.00 H new ATOM 0 HG1 THR A 422 -0.235 8.882 -8.478 1.00 0.00 H new ATOM 0 HG21 THR A 422 0.218 6.532 -8.473 1.00 0.00 H new ATOM 0 HG22 THR A 422 -0.724 5.532 -7.341 1.00 0.00 H new ATOM 0 HG23 THR A 422 -1.513 6.242 -8.769 1.00 0.00 H new ATOM 1119 N ALA A 423 -1.899 6.486 -4.377 1.00 0.00 N ATOM 1120 CA ALA A 423 -1.800 5.419 -3.390 1.00 0.00 C ATOM 1121 C ALA A 423 -3.179 4.874 -3.031 1.00 0.00 C ATOM 1122 O ALA A 423 -3.391 3.662 -2.997 1.00 0.00 O ATOM 1123 CB ALA A 423 -1.086 5.917 -2.143 1.00 0.00 C ATOM 0 H ALA A 423 -1.529 7.384 -4.065 1.00 0.00 H new ATOM 0 HA ALA A 423 -1.219 4.607 -3.827 1.00 0.00 H new ATOM 0 HB1 ALA A 423 -1.020 5.109 -1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 423 -0.083 6.251 -2.407 1.00 0.00 H new ATOM 0 HB3 ALA A 423 -1.643 6.749 -1.712 1.00 0.00 H new ATOM 1129 N LYS A 424 -4.115 5.778 -2.762 1.00 0.00 N ATOM 1130 CA LYS A 424 -5.475 5.390 -2.404 1.00 0.00 C ATOM 1131 C LYS A 424 -6.129 4.601 -3.534 1.00 0.00 C ATOM 1132 O LYS A 424 -6.865 3.645 -3.290 1.00 0.00 O ATOM 1133 CB LYS A 424 -6.313 6.629 -2.082 1.00 0.00 C ATOM 1134 CG LYS A 424 -5.828 7.389 -0.860 1.00 0.00 C ATOM 1135 CD LYS A 424 -6.385 8.803 -0.826 1.00 0.00 C ATOM 1136 CE LYS A 424 -5.751 9.625 0.287 1.00 0.00 C ATOM 1137 NZ LYS A 424 -6.405 10.955 0.435 1.00 0.00 N ATOM 0 H LYS A 424 -3.957 6.785 -2.785 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.425 4.754 -1.520 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -6.304 7.298 -2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -7.348 6.326 -1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -6.127 6.857 0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -4.739 7.426 -0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -6.207 9.289 -1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -7.465 8.767 -0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -5.822 9.079 1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -4.690 9.763 0.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -5.945 11.485 1.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -6.316 11.487 -0.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -7.412 10.824 0.660 1.00 0.00 H new ATOM 1151 N ALA A 425 -5.854 5.005 -4.770 1.00 0.00 N ATOM 1152 CA ALA A 425 -6.414 4.334 -5.936 1.00 0.00 C ATOM 1153 C ALA A 425 -5.729 2.992 -6.177 1.00 0.00 C ATOM 1154 O ALA A 425 -6.360 2.034 -6.621 1.00 0.00 O ATOM 1155 CB ALA A 425 -6.291 5.220 -7.166 1.00 0.00 C ATOM 0 H ALA A 425 -5.246 5.794 -4.989 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.470 4.145 -5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -6.714 4.705 -8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -6.831 6.152 -6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -5.240 5.439 -7.353 1.00 0.00 H new ATOM 1161 N ALA A 426 -4.435 2.933 -5.883 1.00 0.00 N ATOM 1162 CA ALA A 426 -3.664 1.708 -6.067 1.00 0.00 C ATOM 1163 C ALA A 426 -4.091 0.637 -5.069 1.00 0.00 C ATOM 1164 O ALA A 426 -4.054 -0.556 -5.371 1.00 0.00 O ATOM 1165 CB ALA A 426 -2.177 1.996 -5.933 1.00 0.00 C ATOM 0 H ALA A 426 -3.898 3.719 -5.516 1.00 0.00 H new ATOM 0 HA ALA A 426 -3.860 1.331 -7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 426 -1.614 1.073 -6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 426 -1.877 2.722 -6.689 1.00 0.00 H new ATOM 0 HB3 ALA A 426 -1.972 2.400 -4.941 1.00 0.00 H new ATOM 1171 N VAL A 427 -4.493 1.070 -3.878 1.00 0.00 N ATOM 1172 CA VAL A 427 -4.925 0.147 -2.835 1.00 0.00 C ATOM 1173 C VAL A 427 -6.058 -0.745 -3.328 1.00 0.00 C ATOM 1174 O VAL A 427 -5.930 -1.969 -3.352 1.00 0.00 O ATOM 1175 CB VAL A 427 -5.392 0.903 -1.576 1.00 0.00 C ATOM 1176 CG1 VAL A 427 -5.989 -0.064 -0.565 1.00 0.00 C ATOM 1177 CG2 VAL A 427 -4.237 1.681 -0.965 1.00 0.00 C ATOM 0 H VAL A 427 -4.528 2.054 -3.612 1.00 0.00 H new ATOM 0 HA VAL A 427 -4.064 -0.471 -2.580 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.167 1.614 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -6.313 0.487 0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -6.844 -0.573 -1.010 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -5.238 -0.800 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.584 2.209 -0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.439 0.991 -0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -3.859 2.401 -1.691 1.00 0.00 H new ATOM 1187 N GLU A 428 -7.166 -0.125 -3.720 1.00 0.00 N ATOM 1188 CA GLU A 428 -8.323 -0.865 -4.212 1.00 0.00 C ATOM 1189 C GLU A 428 -8.012 -1.534 -5.547 1.00 0.00 C ATOM 1190 O GLU A 428 -8.755 -2.402 -6.007 1.00 0.00 O ATOM 1191 CB GLU A 428 -9.527 0.067 -4.362 1.00 0.00 C ATOM 1192 CG GLU A 428 -10.032 0.627 -3.044 1.00 0.00 C ATOM 1193 CD GLU A 428 -11.082 -0.258 -2.400 1.00 0.00 C ATOM 1194 OE1 GLU A 428 -12.091 -0.567 -3.068 1.00 0.00 O ATOM 1195 OE2 GLU A 428 -10.895 -0.641 -1.226 1.00 0.00 O ATOM 0 H GLU A 428 -7.287 0.888 -3.707 1.00 0.00 H new ATOM 0 HA GLU A 428 -8.563 -1.640 -3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 428 -9.256 0.894 -5.018 1.00 0.00 H new ATOM 0 HB3 GLU A 428 -10.337 -0.475 -4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 428 -9.193 0.747 -2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 428 -10.451 1.619 -3.211 1.00 0.00 H new ATOM 1202 N TRP A 429 -6.912 -1.123 -6.166 1.00 0.00 N ATOM 1203 CA TRP A 429 -6.503 -1.681 -7.450 1.00 0.00 C ATOM 1204 C TRP A 429 -5.833 -3.038 -7.265 1.00 0.00 C ATOM 1205 O TRP A 429 -6.247 -4.032 -7.863 1.00 0.00 O ATOM 1206 CB TRP A 429 -5.552 -0.722 -8.167 1.00 0.00 C ATOM 1207 CG TRP A 429 -4.862 -1.340 -9.346 1.00 0.00 C ATOM 1208 CD1 TRP A 429 -4.052 -2.439 -9.338 1.00 0.00 C ATOM 1209 CD2 TRP A 429 -4.921 -0.892 -10.705 1.00 0.00 C ATOM 1210 NE1 TRP A 429 -3.603 -2.702 -10.610 1.00 0.00 N ATOM 1211 CE2 TRP A 429 -4.124 -1.768 -11.467 1.00 0.00 C ATOM 1212 CE3 TRP A 429 -5.572 0.162 -11.351 1.00 0.00 C ATOM 1213 CZ2 TRP A 429 -3.960 -1.619 -12.842 1.00 0.00 C ATOM 1214 CZ3 TRP A 429 -5.409 0.308 -12.716 1.00 0.00 C ATOM 1215 CH2 TRP A 429 -4.609 -0.579 -13.450 1.00 0.00 C ATOM 0 H TRP A 429 -6.287 -0.405 -5.800 1.00 0.00 H new ATOM 0 HA TRP A 429 -7.396 -1.818 -8.059 1.00 0.00 H new ATOM 0 HB2 TRP A 429 -6.112 0.152 -8.500 1.00 0.00 H new ATOM 0 HB3 TRP A 429 -4.801 -0.369 -7.460 1.00 0.00 H new ATOM 0 HD1 TRP A 429 -3.801 -3.017 -8.461 1.00 0.00 H new ATOM 0 HE1 TRP A 429 -2.983 -3.468 -10.873 1.00 0.00 H new ATOM 0 HE3 TRP A 429 -6.191 0.850 -10.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 429 -3.342 -2.300 -13.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 429 -5.907 1.120 -13.226 1.00 0.00 H new ATOM 0 HH2 TRP A 429 -4.503 -0.439 -14.516 1.00 0.00 H new ATOM 1226 N PHE A 430 -4.796 -3.074 -6.435 1.00 0.00 N ATOM 1227 CA PHE A 430 -4.069 -4.309 -6.173 1.00 0.00 C ATOM 1228 C PHE A 430 -4.714 -5.089 -5.031 1.00 0.00 C ATOM 1229 O PHE A 430 -4.428 -6.269 -4.830 1.00 0.00 O ATOM 1230 CB PHE A 430 -2.608 -4.004 -5.835 1.00 0.00 C ATOM 1231 CG PHE A 430 -1.897 -3.222 -6.900 1.00 0.00 C ATOM 1232 CD1 PHE A 430 -1.424 -3.851 -8.041 1.00 0.00 C ATOM 1233 CD2 PHE A 430 -1.700 -1.857 -6.763 1.00 0.00 C ATOM 1234 CE1 PHE A 430 -0.769 -3.133 -9.025 1.00 0.00 C ATOM 1235 CE2 PHE A 430 -1.046 -1.134 -7.743 1.00 0.00 C ATOM 1236 CZ PHE A 430 -0.579 -1.774 -8.875 1.00 0.00 C ATOM 0 H PHE A 430 -4.440 -2.261 -5.932 1.00 0.00 H new ATOM 0 HA PHE A 430 -4.107 -4.921 -7.074 1.00 0.00 H new ATOM 0 HB2 PHE A 430 -2.569 -3.447 -4.899 1.00 0.00 H new ATOM 0 HB3 PHE A 430 -2.078 -4.942 -5.670 1.00 0.00 H new ATOM 0 HD1 PHE A 430 -1.569 -4.914 -8.163 1.00 0.00 H new ATOM 0 HD2 PHE A 430 -2.062 -1.352 -5.880 1.00 0.00 H new ATOM 0 HE1 PHE A 430 -0.407 -3.635 -9.910 1.00 0.00 H new ATOM 0 HE2 PHE A 430 -0.900 -0.071 -7.624 1.00 0.00 H new ATOM 0 HZ PHE A 430 -0.066 -1.212 -9.641 1.00 0.00 H new ATOM 1246 N ASP A 431 -5.587 -4.419 -4.285 1.00 0.00 N ATOM 1247 CA ASP A 431 -6.275 -5.048 -3.163 1.00 0.00 C ATOM 1248 C ASP A 431 -7.016 -6.302 -3.614 1.00 0.00 C ATOM 1249 O ASP A 431 -8.162 -6.234 -4.056 1.00 0.00 O ATOM 1250 CB ASP A 431 -7.254 -4.064 -2.523 1.00 0.00 C ATOM 1251 CG ASP A 431 -8.446 -4.760 -1.893 1.00 0.00 C ATOM 1252 OD1 ASP A 431 -8.241 -5.789 -1.214 1.00 0.00 O ATOM 1253 OD2 ASP A 431 -9.582 -4.276 -2.079 1.00 0.00 O ATOM 0 H ASP A 431 -5.835 -3.441 -4.437 1.00 0.00 H new ATOM 0 HA ASP A 431 -5.527 -5.337 -2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 431 -6.734 -3.481 -1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 431 -7.605 -3.361 -3.279 1.00 0.00 H new ATOM 1258 N GLY A 432 -6.352 -7.449 -3.501 1.00 0.00 N ATOM 1259 CA GLY A 432 -6.963 -8.703 -3.903 1.00 0.00 C ATOM 1260 C GLY A 432 -6.401 -9.230 -5.208 1.00 0.00 C ATOM 1261 O GLY A 432 -7.040 -10.030 -5.889 1.00 0.00 O ATOM 0 H GLY A 432 -5.402 -7.532 -3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 432 -6.811 -9.445 -3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 432 -8.039 -8.563 -4.005 1.00 0.00 H new ATOM 1265 N LYS A 433 -5.201 -8.779 -5.558 1.00 0.00 N ATOM 1266 CA LYS A 433 -4.552 -9.209 -6.791 1.00 0.00 C ATOM 1267 C LYS A 433 -3.961 -10.607 -6.635 1.00 0.00 C ATOM 1268 O LYS A 433 -4.010 -11.195 -5.554 1.00 0.00 O ATOM 1269 CB LYS A 433 -3.452 -8.220 -7.184 1.00 0.00 C ATOM 1270 CG LYS A 433 -3.938 -7.099 -8.086 1.00 0.00 C ATOM 1271 CD LYS A 433 -4.245 -7.602 -9.486 1.00 0.00 C ATOM 1272 CE LYS A 433 -5.079 -6.600 -10.269 1.00 0.00 C ATOM 1273 NZ LYS A 433 -6.536 -6.767 -10.008 1.00 0.00 N ATOM 0 H LYS A 433 -4.658 -8.116 -5.005 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.305 -9.237 -7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -3.023 -7.788 -6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -2.652 -8.761 -7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -4.832 -6.647 -7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -3.180 -6.318 -8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -3.313 -7.794 -10.017 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -4.778 -8.551 -9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -4.776 -5.588 -10.002 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -4.885 -6.720 -11.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -7.070 -6.066 -10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -6.831 -7.725 -10.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -6.725 -6.627 -8.995 1.00 0.00 H new ATOM 1287 N ASP A 434 -3.400 -11.132 -7.719 1.00 0.00 N ATOM 1288 CA ASP A 434 -2.797 -12.460 -7.702 1.00 0.00 C ATOM 1289 C ASP A 434 -1.333 -12.396 -8.128 1.00 0.00 C ATOM 1290 O ASP A 434 -1.010 -11.890 -9.204 1.00 0.00 O ATOM 1291 CB ASP A 434 -3.569 -13.406 -8.622 1.00 0.00 C ATOM 1292 CG ASP A 434 -3.101 -13.323 -10.062 1.00 0.00 C ATOM 1293 OD1 ASP A 434 -3.353 -12.284 -10.709 1.00 0.00 O ATOM 1294 OD2 ASP A 434 -2.483 -14.296 -10.541 1.00 0.00 O ATOM 0 H ASP A 434 -3.350 -10.658 -8.621 1.00 0.00 H new ATOM 0 HA ASP A 434 -2.844 -12.841 -6.682 1.00 0.00 H new ATOM 0 HB2 ASP A 434 -3.455 -14.429 -8.264 1.00 0.00 H new ATOM 0 HB3 ASP A 434 -4.632 -13.168 -8.574 1.00 0.00 H new ATOM 1299 N PHE A 435 -0.452 -12.913 -7.278 1.00 0.00 N ATOM 1300 CA PHE A 435 0.978 -12.914 -7.566 1.00 0.00 C ATOM 1301 C PHE A 435 1.563 -14.314 -7.406 1.00 0.00 C ATOM 1302 O PHE A 435 1.835 -14.761 -6.293 1.00 0.00 O ATOM 1303 CB PHE A 435 1.706 -11.936 -6.642 1.00 0.00 C ATOM 1304 CG PHE A 435 2.935 -11.332 -7.258 1.00 0.00 C ATOM 1305 CD1 PHE A 435 4.059 -12.105 -7.496 1.00 0.00 C ATOM 1306 CD2 PHE A 435 2.966 -9.988 -7.599 1.00 0.00 C ATOM 1307 CE1 PHE A 435 5.192 -11.553 -8.064 1.00 0.00 C ATOM 1308 CE2 PHE A 435 4.095 -9.430 -8.168 1.00 0.00 C ATOM 1309 CZ PHE A 435 5.210 -10.212 -8.399 1.00 0.00 C ATOM 0 H PHE A 435 -0.703 -13.336 -6.385 1.00 0.00 H new ATOM 0 HA PHE A 435 1.116 -12.597 -8.600 1.00 0.00 H new ATOM 0 HB2 PHE A 435 1.021 -11.137 -6.359 1.00 0.00 H new ATOM 0 HB3 PHE A 435 1.986 -12.455 -5.725 1.00 0.00 H new ATOM 0 HD1 PHE A 435 4.050 -13.153 -7.234 1.00 0.00 H new ATOM 0 HD2 PHE A 435 2.098 -9.371 -7.418 1.00 0.00 H new ATOM 0 HE1 PHE A 435 6.061 -12.168 -8.246 1.00 0.00 H new ATOM 0 HE2 PHE A 435 4.106 -8.383 -8.432 1.00 0.00 H new ATOM 0 HZ PHE A 435 6.094 -9.776 -8.841 1.00 0.00 H new ATOM 1319 N GLN A 436 1.755 -15.000 -8.529 1.00 0.00 N ATOM 1320 CA GLN A 436 2.307 -16.349 -8.515 1.00 0.00 C ATOM 1321 C GLN A 436 1.387 -17.306 -7.762 1.00 0.00 C ATOM 1322 O GLN A 436 1.848 -18.231 -7.096 1.00 0.00 O ATOM 1323 CB GLN A 436 3.695 -16.348 -7.872 1.00 0.00 C ATOM 1324 CG GLN A 436 4.809 -15.960 -8.832 1.00 0.00 C ATOM 1325 CD GLN A 436 6.188 -16.149 -8.232 1.00 0.00 C ATOM 1326 OE1 GLN A 436 6.632 -17.275 -8.008 1.00 0.00 O ATOM 1327 NE2 GLN A 436 6.875 -15.043 -7.968 1.00 0.00 N ATOM 0 H GLN A 436 1.536 -14.643 -9.459 1.00 0.00 H new ATOM 0 HA GLN A 436 2.392 -16.690 -9.547 1.00 0.00 H new ATOM 0 HB2 GLN A 436 3.696 -15.657 -7.029 1.00 0.00 H new ATOM 0 HB3 GLN A 436 3.901 -17.340 -7.471 1.00 0.00 H new ATOM 0 HG2 GLN A 436 4.727 -16.558 -9.739 1.00 0.00 H new ATOM 0 HG3 GLN A 436 4.684 -14.918 -9.125 1.00 0.00 H new ATOM 0 HE21 GLN A 436 6.468 -14.130 -8.170 1.00 0.00 H new ATOM 0 HE22 GLN A 436 7.809 -15.107 -7.564 1.00 0.00 H new ATOM 1336 N GLY A 437 0.083 -17.075 -7.873 1.00 0.00 N ATOM 1337 CA GLY A 437 -0.882 -17.924 -7.198 1.00 0.00 C ATOM 1338 C GLY A 437 -1.077 -17.538 -5.746 1.00 0.00 C ATOM 1339 O GLY A 437 -1.555 -18.338 -4.942 1.00 0.00 O ATOM 0 H GLY A 437 -0.323 -16.315 -8.418 1.00 0.00 H new ATOM 0 HA2 GLY A 437 -1.838 -17.866 -7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 437 -0.551 -18.961 -7.254 1.00 0.00 H new ATOM 1343 N SER A 438 -0.706 -16.307 -5.407 1.00 0.00 N ATOM 1344 CA SER A 438 -0.839 -15.817 -4.040 1.00 0.00 C ATOM 1345 C SER A 438 -1.619 -14.506 -4.006 1.00 0.00 C ATOM 1346 O SER A 438 -1.318 -13.572 -4.749 1.00 0.00 O ATOM 1347 CB SER A 438 0.542 -15.619 -3.411 1.00 0.00 C ATOM 1348 OG SER A 438 1.119 -14.392 -3.823 1.00 0.00 O ATOM 0 H SER A 438 -0.311 -15.631 -6.061 1.00 0.00 H new ATOM 0 HA SER A 438 -1.389 -16.562 -3.465 1.00 0.00 H new ATOM 0 HB2 SER A 438 0.456 -15.637 -2.325 1.00 0.00 H new ATOM 0 HB3 SER A 438 1.195 -16.445 -3.693 1.00 0.00 H new ATOM 0 HG SER A 438 1.662 -14.539 -4.626 1.00 0.00 H new ATOM 1354 N LYS A 439 -2.623 -14.445 -3.137 1.00 0.00 N ATOM 1355 CA LYS A 439 -3.447 -13.249 -3.003 1.00 0.00 C ATOM 1356 C LYS A 439 -2.704 -12.161 -2.236 1.00 0.00 C ATOM 1357 O LYS A 439 -2.140 -12.411 -1.170 1.00 0.00 O ATOM 1358 CB LYS A 439 -4.758 -13.587 -2.290 1.00 0.00 C ATOM 1359 CG LYS A 439 -5.870 -12.589 -2.558 1.00 0.00 C ATOM 1360 CD LYS A 439 -7.241 -13.219 -2.378 1.00 0.00 C ATOM 1361 CE LYS A 439 -7.686 -13.180 -0.924 1.00 0.00 C ATOM 1362 NZ LYS A 439 -9.131 -13.508 -0.776 1.00 0.00 N ATOM 0 H LYS A 439 -2.886 -15.210 -2.515 1.00 0.00 H new ATOM 0 HA LYS A 439 -3.670 -12.876 -4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 439 -5.087 -14.578 -2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 439 -4.576 -13.636 -1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -5.768 -11.739 -1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 439 -5.777 -12.203 -3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 439 -7.968 -12.693 -2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 439 -7.216 -14.252 -2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 439 -7.092 -13.886 -0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 439 -7.495 -12.189 -0.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 -9.394 -13.470 0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 -9.700 -12.819 -1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 -9.310 -14.464 -1.145 1.00 0.00 H new ATOM 1376 N LEU A 440 -2.709 -10.950 -2.784 1.00 0.00 N ATOM 1377 CA LEU A 440 -2.036 -9.821 -2.150 1.00 0.00 C ATOM 1378 C LEU A 440 -3.048 -8.871 -1.518 1.00 0.00 C ATOM 1379 O LEU A 440 -4.052 -8.516 -2.134 1.00 0.00 O ATOM 1380 CB LEU A 440 -1.183 -9.069 -3.173 1.00 0.00 C ATOM 1381 CG LEU A 440 -0.432 -9.935 -4.186 1.00 0.00 C ATOM 1382 CD1 LEU A 440 0.591 -9.103 -4.944 1.00 0.00 C ATOM 1383 CD2 LEU A 440 0.240 -11.108 -3.489 1.00 0.00 C ATOM 0 H LEU A 440 -3.171 -10.725 -3.665 1.00 0.00 H new ATOM 0 HA LEU A 440 -1.389 -10.210 -1.364 1.00 0.00 H new ATOM 0 HB2 LEU A 440 -1.829 -8.382 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 440 -0.456 -8.462 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 440 -1.151 -10.329 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 440 1.116 -9.735 -5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 440 0.084 -8.297 -5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 440 1.308 -8.679 -4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 440 0.770 -11.713 -4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 440 0.948 -10.735 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 440 -0.515 -11.718 -2.993 1.00 0.00 H new ATOM 1395 N LYS A 441 -2.775 -8.459 -0.284 1.00 0.00 N ATOM 1396 CA LYS A 441 -3.658 -7.547 0.432 1.00 0.00 C ATOM 1397 C LYS A 441 -3.037 -6.157 0.533 1.00 0.00 C ATOM 1398 O LYS A 441 -2.019 -5.967 1.200 1.00 0.00 O ATOM 1399 CB LYS A 441 -3.957 -8.087 1.833 1.00 0.00 C ATOM 1400 CG LYS A 441 -5.183 -8.979 1.891 1.00 0.00 C ATOM 1401 CD LYS A 441 -6.466 -8.164 1.918 1.00 0.00 C ATOM 1402 CE LYS A 441 -6.993 -7.908 0.514 1.00 0.00 C ATOM 1403 NZ LYS A 441 -8.475 -7.756 0.497 1.00 0.00 N ATOM 0 H LYS A 441 -1.948 -8.743 0.241 1.00 0.00 H new ATOM 0 HA LYS A 441 -4.591 -7.470 -0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 441 -3.093 -8.648 2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 441 -4.096 -7.248 2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 441 -5.191 -9.644 1.027 1.00 0.00 H new ATOM 0 HG3 LYS A 441 -5.133 -9.610 2.778 1.00 0.00 H new ATOM 0 HD2 LYS A 441 -7.221 -8.691 2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 441 -6.284 -7.213 2.419 1.00 0.00 H new ATOM 0 HE2 LYS A 441 -6.531 -7.007 0.111 1.00 0.00 H new ATOM 0 HE3 LYS A 441 -6.705 -8.733 -0.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 441 -8.755 -7.174 -0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 441 -8.919 -8.693 0.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 441 -8.787 -7.295 1.375 1.00 0.00 H new ATOM 1417 N VAL A 442 -3.658 -5.186 -0.131 1.00 0.00 N ATOM 1418 CA VAL A 442 -3.168 -3.813 -0.113 1.00 0.00 C ATOM 1419 C VAL A 442 -4.074 -2.918 0.725 1.00 0.00 C ATOM 1420 O VAL A 442 -5.294 -2.927 0.564 1.00 0.00 O ATOM 1421 CB VAL A 442 -3.067 -3.235 -1.537 1.00 0.00 C ATOM 1422 CG1 VAL A 442 -2.269 -1.940 -1.533 1.00 0.00 C ATOM 1423 CG2 VAL A 442 -2.445 -4.252 -2.482 1.00 0.00 C ATOM 0 H VAL A 442 -4.501 -5.326 -0.688 1.00 0.00 H new ATOM 0 HA VAL A 442 -2.173 -3.837 0.332 1.00 0.00 H new ATOM 0 HB VAL A 442 -4.073 -3.012 -1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 442 -2.208 -1.547 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 442 -2.762 -1.211 -0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 442 -1.264 -2.133 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 442 -2.381 -3.827 -3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 442 -1.445 -4.509 -2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 442 -3.062 -5.150 -2.508 1.00 0.00 H new ATOM 1433 N SER A 443 -3.467 -2.144 1.619 1.00 0.00 N ATOM 1434 CA SER A 443 -4.220 -1.244 2.486 1.00 0.00 C ATOM 1435 C SER A 443 -3.335 -0.104 2.982 1.00 0.00 C ATOM 1436 O SER A 443 -2.226 -0.329 3.468 1.00 0.00 O ATOM 1437 CB SER A 443 -4.798 -2.012 3.676 1.00 0.00 C ATOM 1438 OG SER A 443 -5.315 -3.267 3.271 1.00 0.00 O ATOM 0 H SER A 443 -2.457 -2.122 1.762 1.00 0.00 H new ATOM 0 HA SER A 443 -5.039 -0.820 1.906 1.00 0.00 H new ATOM 0 HB2 SER A 443 -4.023 -2.160 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 443 -5.588 -1.424 4.143 1.00 0.00 H new ATOM 0 HG SER A 443 -5.677 -3.739 4.050 1.00 0.00 H new ATOM 1444 N LEU A 444 -3.834 1.121 2.857 1.00 0.00 N ATOM 1445 CA LEU A 444 -3.091 2.299 3.293 1.00 0.00 C ATOM 1446 C LEU A 444 -2.351 2.023 4.598 1.00 0.00 C ATOM 1447 O LEU A 444 -2.917 1.466 5.538 1.00 0.00 O ATOM 1448 CB LEU A 444 -4.039 3.486 3.471 1.00 0.00 C ATOM 1449 CG LEU A 444 -4.468 4.201 2.189 1.00 0.00 C ATOM 1450 CD1 LEU A 444 -5.405 5.355 2.510 1.00 0.00 C ATOM 1451 CD2 LEU A 444 -3.251 4.696 1.421 1.00 0.00 C ATOM 0 H LEU A 444 -4.750 1.325 2.457 1.00 0.00 H new ATOM 0 HA LEU A 444 -2.356 2.541 2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 444 -4.934 3.136 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 444 -3.559 4.213 4.126 1.00 0.00 H new ATOM 0 HG LEU A 444 -5.004 3.490 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 444 -5.700 5.852 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 444 -6.292 4.974 3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 444 -4.896 6.068 3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 444 -3.576 5.202 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 444 -2.687 5.392 2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 444 -2.617 3.849 1.158 1.00 0.00 H new