USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=20 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 401 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 414 THR OG1 : rot 180:sc= -1.02 USER MOD Set 2.1: A 390 ASN : amide:sc= -1.84! C(o=-6.8!,f=-16!) USER MOD Set 2.2: A 393 THR OG1 : rot -177:sc= -4.97! USER MOD Set 3.1: A 369 ASN : amide:sc= -4.69 K(o=-7.4,f=-16!) USER MOD Set 3.2: A 436 GLN : amide:sc= -2.72 K(o=-7.4,f=-9.9!) USER MOD Single : A 361 SER OG : rot -18:sc= 0.35 USER MOD Single : A 364 TYR OH : rot 180:sc= 0 USER MOD Single : A 366 GLN : amide:sc= -0.0913 X(o=-0.091,f=0) USER MOD Single : A 371 SER OG : rot -50:sc= 0.0223 USER MOD Single : A 373 THR OG1 : rot -140:sc= -2.02! USER MOD Single : A 382 LYS NZ :NH3+ 152:sc= -1.75! (180deg=-4.02!) USER MOD Single : A 383 GLN : amide:sc= -0.0933 K(o=-0.093,f=-3.3!) USER MOD Single : A 384 CYS SG : rot 74:sc= -2.16! USER MOD Single : A 388 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0301) USER MOD Single : A 389 MET CE :methyl -160:sc= -3.64! (180deg=-5.01!) 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= -0.0567 X(o=-0.057,f=0.00054) USER MOD Single : A 404 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 THR OG1 : rot -100:sc= -0.636 USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 416 SER OG : rot 180:sc= 0 USER MOD Single : A 417 TYR OH : rot 8:sc= -0.217 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 159:sc= -0.371 (180deg=-1.32) USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ -146:sc=-0.00836 (180deg=-1.38!) USER MOD Single : A 441 LYS NZ :NH3+ 147:sc= -0.671 (180deg=-1.8!) USER MOD Single : A 443 SER OG : rot 180:sc=-0.00275 USER MOD ----------------------------------------------------------------- ATOM 168 N SER A 361 0.583 8.467 1.285 1.00 0.00 N ATOM 169 CA SER A 361 0.783 8.162 -0.126 1.00 0.00 C ATOM 170 C SER A 361 1.489 6.820 -0.297 1.00 0.00 C ATOM 171 O SER A 361 2.130 6.571 -1.318 1.00 0.00 O ATOM 172 CB SER A 361 1.596 9.270 -0.799 1.00 0.00 C ATOM 173 OG SER A 361 2.660 9.698 0.034 1.00 0.00 O ATOM 0 HA SER A 361 -0.196 8.100 -0.602 1.00 0.00 H new ATOM 0 HB2 SER A 361 1.995 8.909 -1.747 1.00 0.00 H new ATOM 0 HB3 SER A 361 0.946 10.115 -1.028 1.00 0.00 H new ATOM 0 HG SER A 361 2.489 9.413 0.956 1.00 0.00 H new ATOM 179 N ALA A 362 1.367 5.962 0.709 1.00 0.00 N ATOM 180 CA ALA A 362 1.991 4.645 0.670 1.00 0.00 C ATOM 181 C ALA A 362 0.958 3.541 0.863 1.00 0.00 C ATOM 182 O ALA A 362 -0.110 3.771 1.431 1.00 0.00 O ATOM 183 CB ALA A 362 3.078 4.545 1.730 1.00 0.00 C ATOM 0 H ALA A 362 0.842 6.155 1.562 1.00 0.00 H new ATOM 0 HA ALA A 362 2.444 4.514 -0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 362 3.536 3.557 1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 362 3.838 5.304 1.545 1.00 0.00 H new ATOM 0 HB3 ALA A 362 2.640 4.702 2.716 1.00 0.00 H new ATOM 189 N ILE A 363 1.282 2.344 0.386 1.00 0.00 N ATOM 190 CA ILE A 363 0.380 1.205 0.507 1.00 0.00 C ATOM 191 C ILE A 363 1.078 0.020 1.166 1.00 0.00 C ATOM 192 O ILE A 363 2.259 -0.229 0.928 1.00 0.00 O ATOM 193 CB ILE A 363 -0.163 0.768 -0.866 1.00 0.00 C ATOM 194 CG1 ILE A 363 0.984 0.308 -1.769 1.00 0.00 C ATOM 195 CG2 ILE A 363 -0.933 1.906 -1.517 1.00 0.00 C ATOM 196 CD1 ILE A 363 0.526 -0.506 -2.959 1.00 0.00 C ATOM 0 H ILE A 363 2.162 2.138 -0.087 1.00 0.00 H new ATOM 0 HA ILE A 363 -0.453 1.527 1.132 1.00 0.00 H new ATOM 0 HB ILE A 363 -0.845 -0.070 -0.721 1.00 0.00 H new ATOM 0 HG12 ILE A 363 1.529 1.182 -2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 363 1.684 -0.286 -1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 363 -1.311 1.582 -2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 363 -1.769 2.191 -0.879 1.00 0.00 H new ATOM 0 HG23 ILE A 363 -0.272 2.762 -1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 363 1.391 -0.798 -3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 363 0.007 -1.399 -2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 363 -0.150 0.092 -3.570 1.00 0.00 H new ATOM 208 N TYR A 364 0.338 -0.709 1.994 1.00 0.00 N ATOM 209 CA TYR A 364 0.884 -1.869 2.688 1.00 0.00 C ATOM 210 C TYR A 364 0.393 -3.166 2.054 1.00 0.00 C ATOM 211 O TYR A 364 -0.790 -3.501 2.134 1.00 0.00 O ATOM 212 CB TYR A 364 0.498 -1.834 4.168 1.00 0.00 C ATOM 213 CG TYR A 364 1.461 -2.580 5.063 1.00 0.00 C ATOM 214 CD1 TYR A 364 1.431 -3.967 5.146 1.00 0.00 C ATOM 215 CD2 TYR A 364 2.400 -1.898 5.827 1.00 0.00 C ATOM 216 CE1 TYR A 364 2.308 -4.652 5.964 1.00 0.00 C ATOM 217 CE2 TYR A 364 3.282 -2.576 6.646 1.00 0.00 C ATOM 218 CZ TYR A 364 3.232 -3.953 6.711 1.00 0.00 C ATOM 219 OH TYR A 364 4.107 -4.633 7.526 1.00 0.00 O ATOM 0 H TYR A 364 -0.642 -0.517 2.201 1.00 0.00 H new ATOM 0 HA TYR A 364 1.970 -1.832 2.602 1.00 0.00 H new ATOM 0 HB2 TYR A 364 0.441 -0.796 4.495 1.00 0.00 H new ATOM 0 HB3 TYR A 364 -0.498 -2.260 4.285 1.00 0.00 H new ATOM 0 HD1 TYR A 364 0.710 -4.518 4.561 1.00 0.00 H new ATOM 0 HD2 TYR A 364 2.441 -0.820 5.780 1.00 0.00 H new ATOM 0 HE1 TYR A 364 2.270 -5.730 6.018 1.00 0.00 H new ATOM 0 HE2 TYR A 364 4.007 -2.031 7.232 1.00 0.00 H new ATOM 0 HH TYR A 364 4.693 -3.994 7.982 1.00 0.00 H new ATOM 229 N VAL A 365 1.309 -3.893 1.423 1.00 0.00 N ATOM 230 CA VAL A 365 0.972 -5.156 0.775 1.00 0.00 C ATOM 231 C VAL A 365 1.259 -6.339 1.693 1.00 0.00 C ATOM 232 O VAL A 365 2.259 -6.350 2.411 1.00 0.00 O ATOM 233 CB VAL A 365 1.752 -5.338 -0.540 1.00 0.00 C ATOM 234 CG1 VAL A 365 1.166 -6.481 -1.354 1.00 0.00 C ATOM 235 CG2 VAL A 365 1.753 -4.046 -1.342 1.00 0.00 C ATOM 0 H VAL A 365 2.291 -3.629 1.346 1.00 0.00 H new ATOM 0 HA VAL A 365 -0.095 -5.123 0.554 1.00 0.00 H new ATOM 0 HB VAL A 365 2.785 -5.589 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 365 1.730 -6.595 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 365 1.224 -7.405 -0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 365 0.124 -6.264 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 365 2.309 -4.193 -2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 365 0.727 -3.762 -1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 365 2.224 -3.255 -0.758 1.00 0.00 H new ATOM 245 N GLN A 366 0.377 -7.332 1.663 1.00 0.00 N ATOM 246 CA GLN A 366 0.537 -8.520 2.492 1.00 0.00 C ATOM 247 C GLN A 366 0.019 -9.761 1.772 1.00 0.00 C ATOM 248 O GLN A 366 -1.155 -9.836 1.411 1.00 0.00 O ATOM 249 CB GLN A 366 -0.199 -8.343 3.822 1.00 0.00 C ATOM 250 CG GLN A 366 0.612 -7.601 4.871 1.00 0.00 C ATOM 251 CD GLN A 366 -0.231 -7.152 6.049 1.00 0.00 C ATOM 252 OE1 GLN A 366 0.023 -7.536 7.192 1.00 0.00 O ATOM 253 NE2 GLN A 366 -1.241 -6.334 5.777 1.00 0.00 N ATOM 0 H GLN A 366 -0.456 -7.337 1.074 1.00 0.00 H new ATOM 0 HA GLN A 366 1.601 -8.654 2.688 1.00 0.00 H new ATOM 0 HB2 GLN A 366 -1.129 -7.803 3.644 1.00 0.00 H new ATOM 0 HB3 GLN A 366 -0.470 -9.324 4.211 1.00 0.00 H new ATOM 0 HG2 GLN A 366 1.415 -8.246 5.228 1.00 0.00 H new ATOM 0 HG3 GLN A 366 1.083 -6.731 4.413 1.00 0.00 H new ATOM 0 HE21 GLN A 366 -1.415 -6.041 4.816 1.00 0.00 H new ATOM 0 HE22 GLN A 366 -1.842 -5.999 6.529 1.00 0.00 H new ATOM 262 N GLY A 367 0.903 -10.733 1.566 1.00 0.00 N ATOM 263 CA GLY A 367 0.516 -11.956 0.890 1.00 0.00 C ATOM 264 C GLY A 367 1.451 -12.309 -0.251 1.00 0.00 C ATOM 265 O GLY A 367 1.090 -13.077 -1.144 1.00 0.00 O ATOM 0 H GLY A 367 1.880 -10.694 1.856 1.00 0.00 H new ATOM 0 HA2 GLY A 367 0.500 -12.775 1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 367 -0.498 -11.849 0.505 1.00 0.00 H new ATOM 269 N LEU A 368 2.654 -11.747 -0.222 1.00 0.00 N ATOM 270 CA LEU A 368 3.644 -12.005 -1.262 1.00 0.00 C ATOM 271 C LEU A 368 4.322 -13.354 -1.047 1.00 0.00 C ATOM 272 O LEU A 368 4.435 -13.829 0.083 1.00 0.00 O ATOM 273 CB LEU A 368 4.692 -10.892 -1.283 1.00 0.00 C ATOM 274 CG LEU A 368 4.191 -9.504 -1.682 1.00 0.00 C ATOM 275 CD1 LEU A 368 5.268 -8.457 -1.441 1.00 0.00 C ATOM 276 CD2 LEU A 368 3.751 -9.494 -3.139 1.00 0.00 C ATOM 0 H LEU A 368 2.968 -11.110 0.510 1.00 0.00 H new ATOM 0 HA LEU A 368 3.128 -12.028 -2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 368 5.139 -10.823 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 368 5.486 -11.181 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 368 3.329 -9.258 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 368 4.893 -7.476 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 368 5.535 -8.446 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 368 6.149 -8.698 -2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 368 3.397 -8.498 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 368 4.594 -9.762 -3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 368 2.946 -10.215 -3.281 1.00 0.00 H new ATOM 288 N ASN A 369 4.771 -13.966 -2.137 1.00 0.00 N ATOM 289 CA ASN A 369 5.440 -15.260 -2.067 1.00 0.00 C ATOM 290 C ASN A 369 6.857 -15.111 -1.524 1.00 0.00 C ATOM 291 O ASN A 369 7.277 -14.017 -1.147 1.00 0.00 O ATOM 292 CB ASN A 369 5.478 -15.914 -3.450 1.00 0.00 C ATOM 293 CG ASN A 369 6.094 -15.010 -4.499 1.00 0.00 C ATOM 294 OD1 ASN A 369 7.302 -15.046 -4.734 1.00 0.00 O ATOM 295 ND2 ASN A 369 5.264 -14.192 -5.137 1.00 0.00 N ATOM 0 H ASN A 369 4.684 -13.587 -3.080 1.00 0.00 H new ATOM 0 HA ASN A 369 4.874 -15.897 -1.387 1.00 0.00 H new ATOM 0 HB2 ASN A 369 6.047 -16.842 -3.395 1.00 0.00 H new ATOM 0 HB3 ASN A 369 4.465 -16.179 -3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 369 5.621 -13.560 -5.854 1.00 0.00 H new ATOM 0 HD22 ASN A 369 4.270 -14.196 -4.910 1.00 0.00 H new ATOM 302 N ASP A 370 7.591 -16.219 -1.486 1.00 0.00 N ATOM 303 CA ASP A 370 8.961 -16.212 -0.991 1.00 0.00 C ATOM 304 C ASP A 370 9.950 -15.995 -2.131 1.00 0.00 C ATOM 305 O ASP A 370 11.164 -16.043 -1.932 1.00 0.00 O ATOM 306 CB ASP A 370 9.273 -17.526 -0.272 1.00 0.00 C ATOM 307 CG ASP A 370 8.576 -18.713 -0.907 1.00 0.00 C ATOM 308 OD1 ASP A 370 9.030 -19.165 -1.979 1.00 0.00 O ATOM 309 OD2 ASP A 370 7.577 -19.190 -0.331 1.00 0.00 O ATOM 0 H ASP A 370 7.258 -17.133 -1.793 1.00 0.00 H new ATOM 0 HA ASP A 370 9.061 -15.388 -0.285 1.00 0.00 H new ATOM 0 HB2 ASP A 370 10.350 -17.694 -0.280 1.00 0.00 H new ATOM 0 HB3 ASP A 370 8.970 -17.446 0.772 1.00 0.00 H new ATOM 314 N SER A 371 9.423 -15.758 -3.328 1.00 0.00 N ATOM 315 CA SER A 371 10.259 -15.538 -4.503 1.00 0.00 C ATOM 316 C SER A 371 9.992 -14.165 -5.110 1.00 0.00 C ATOM 317 O SER A 371 10.337 -13.905 -6.263 1.00 0.00 O ATOM 318 CB SER A 371 10.007 -16.628 -5.545 1.00 0.00 C ATOM 319 OG SER A 371 11.125 -16.785 -6.401 1.00 0.00 O ATOM 0 H SER A 371 8.420 -15.713 -3.510 1.00 0.00 H new ATOM 0 HA SER A 371 11.302 -15.580 -4.190 1.00 0.00 H new ATOM 0 HB2 SER A 371 9.794 -17.572 -5.044 1.00 0.00 H new ATOM 0 HB3 SER A 371 9.126 -16.374 -6.135 1.00 0.00 H new ATOM 0 HG SER A 371 11.399 -15.909 -6.745 1.00 0.00 H new ATOM 325 N VAL A 372 9.374 -13.287 -4.326 1.00 0.00 N ATOM 326 CA VAL A 372 9.061 -11.939 -4.785 1.00 0.00 C ATOM 327 C VAL A 372 10.279 -11.028 -4.689 1.00 0.00 C ATOM 328 O VAL A 372 11.007 -11.049 -3.695 1.00 0.00 O ATOM 329 CB VAL A 372 7.907 -11.323 -3.972 1.00 0.00 C ATOM 330 CG1 VAL A 372 8.290 -11.206 -2.505 1.00 0.00 C ATOM 331 CG2 VAL A 372 7.519 -9.966 -4.541 1.00 0.00 C ATOM 0 H VAL A 372 9.080 -13.485 -3.370 1.00 0.00 H new ATOM 0 HA VAL A 372 8.756 -12.023 -5.828 1.00 0.00 H new ATOM 0 HB VAL A 372 7.042 -11.982 -4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 372 7.462 -10.769 -1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 372 8.513 -12.196 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 372 9.169 -10.569 -2.408 1.00 0.00 H new ATOM 0 HG21 VAL A 372 6.702 -9.546 -3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 372 8.377 -9.296 -4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 372 7.199 -10.084 -5.576 1.00 0.00 H new ATOM 341 N THR A 373 10.496 -10.226 -5.726 1.00 0.00 N ATOM 342 CA THR A 373 11.627 -9.307 -5.759 1.00 0.00 C ATOM 343 C THR A 373 11.159 -7.865 -5.917 1.00 0.00 C ATOM 344 O THR A 373 10.021 -7.611 -6.317 1.00 0.00 O ATOM 345 CB THR A 373 12.596 -9.649 -6.907 1.00 0.00 C ATOM 346 OG1 THR A 373 11.906 -9.601 -8.161 1.00 0.00 O ATOM 347 CG2 THR A 373 13.203 -11.030 -6.709 1.00 0.00 C ATOM 0 H THR A 373 9.903 -10.194 -6.555 1.00 0.00 H new ATOM 0 HA THR A 373 12.149 -9.415 -4.808 1.00 0.00 H new ATOM 0 HB THR A 373 13.400 -8.913 -6.907 1.00 0.00 H new ATOM 0 HG1 THR A 373 12.209 -10.340 -8.729 1.00 0.00 H new ATOM 0 HG21 THR A 373 13.884 -11.250 -7.532 1.00 0.00 H new ATOM 0 HG22 THR A 373 13.752 -11.055 -5.768 1.00 0.00 H new ATOM 0 HG23 THR A 373 12.409 -11.776 -6.686 1.00 0.00 H new ATOM 355 N LEU A 374 12.042 -6.924 -5.603 1.00 0.00 N ATOM 356 CA LEU A 374 11.719 -5.505 -5.711 1.00 0.00 C ATOM 357 C LEU A 374 11.290 -5.152 -7.131 1.00 0.00 C ATOM 358 O LEU A 374 10.138 -4.788 -7.371 1.00 0.00 O ATOM 359 CB LEU A 374 12.924 -4.655 -5.303 1.00 0.00 C ATOM 360 CG LEU A 374 12.857 -3.175 -5.676 1.00 0.00 C ATOM 361 CD1 LEU A 374 11.858 -2.445 -4.792 1.00 0.00 C ATOM 362 CD2 LEU A 374 14.234 -2.535 -5.569 1.00 0.00 C ATOM 0 H LEU A 374 12.987 -7.117 -5.272 1.00 0.00 H new ATOM 0 HA LEU A 374 10.889 -5.294 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 374 13.049 -4.732 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 374 13.817 -5.084 -5.758 1.00 0.00 H new ATOM 0 HG LEU A 374 12.521 -3.096 -6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 374 11.825 -1.392 -5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 374 10.869 -2.886 -4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 374 12.163 -2.533 -3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 374 14.167 -1.481 -5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 374 14.599 -2.626 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 374 14.923 -3.039 -6.246 1.00 0.00 H new ATOM 374 N ASP A 375 12.224 -5.260 -8.070 1.00 0.00 N ATOM 375 CA ASP A 375 11.942 -4.955 -9.468 1.00 0.00 C ATOM 376 C ASP A 375 10.629 -5.595 -9.910 1.00 0.00 C ATOM 377 O ASP A 375 9.935 -5.072 -10.781 1.00 0.00 O ATOM 378 CB ASP A 375 13.086 -5.440 -10.359 1.00 0.00 C ATOM 379 CG ASP A 375 13.243 -4.598 -11.610 1.00 0.00 C ATOM 380 OD1 ASP A 375 12.219 -4.100 -12.123 1.00 0.00 O ATOM 381 OD2 ASP A 375 14.390 -4.436 -12.075 1.00 0.00 O ATOM 0 H ASP A 375 13.183 -5.556 -7.888 1.00 0.00 H new ATOM 0 HA ASP A 375 11.849 -3.873 -9.567 1.00 0.00 H new ATOM 0 HB2 ASP A 375 14.017 -5.421 -9.792 1.00 0.00 H new ATOM 0 HB3 ASP A 375 12.907 -6.477 -10.643 1.00 0.00 H new ATOM 386 N ASP A 376 10.297 -6.729 -9.304 1.00 0.00 N ATOM 387 CA ASP A 376 9.067 -7.441 -9.635 1.00 0.00 C ATOM 388 C ASP A 376 7.850 -6.706 -9.084 1.00 0.00 C ATOM 389 O ASP A 376 6.779 -6.714 -9.693 1.00 0.00 O ATOM 390 CB ASP A 376 9.113 -8.865 -9.081 1.00 0.00 C ATOM 391 CG ASP A 376 9.920 -9.803 -9.959 1.00 0.00 C ATOM 392 OD1 ASP A 376 10.877 -9.332 -10.608 1.00 0.00 O ATOM 393 OD2 ASP A 376 9.594 -11.007 -9.996 1.00 0.00 O ATOM 0 H ASP A 376 10.861 -7.175 -8.581 1.00 0.00 H new ATOM 0 HA ASP A 376 8.982 -7.485 -10.721 1.00 0.00 H new ATOM 0 HB2 ASP A 376 9.544 -8.848 -8.080 1.00 0.00 H new ATOM 0 HB3 ASP A 376 8.097 -9.247 -8.984 1.00 0.00 H new ATOM 398 N LEU A 377 8.019 -6.073 -7.929 1.00 0.00 N ATOM 399 CA LEU A 377 6.933 -5.335 -7.294 1.00 0.00 C ATOM 400 C LEU A 377 6.849 -3.914 -7.842 1.00 0.00 C ATOM 401 O LEU A 377 5.775 -3.314 -7.878 1.00 0.00 O ATOM 402 CB LEU A 377 7.132 -5.299 -5.778 1.00 0.00 C ATOM 403 CG LEU A 377 6.909 -6.619 -5.040 1.00 0.00 C ATOM 404 CD1 LEU A 377 7.116 -6.437 -3.545 1.00 0.00 C ATOM 405 CD2 LEU A 377 5.516 -7.160 -5.326 1.00 0.00 C ATOM 0 H LEU A 377 8.898 -6.056 -7.413 1.00 0.00 H new ATOM 0 HA LEU A 377 5.998 -5.848 -7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 377 8.147 -4.958 -5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 377 6.455 -4.554 -5.360 1.00 0.00 H new ATOM 0 HG LEU A 377 7.640 -7.343 -5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 377 6.953 -7.387 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 377 8.134 -6.095 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 377 6.410 -5.698 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 377 5.374 -8.100 -4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 377 4.770 -6.438 -4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 377 5.404 -7.330 -6.397 1.00 0.00 H new ATOM 417 N ALA A 378 7.989 -3.381 -8.270 1.00 0.00 N ATOM 418 CA ALA A 378 8.043 -2.032 -8.820 1.00 0.00 C ATOM 419 C ALA A 378 7.434 -1.983 -10.217 1.00 0.00 C ATOM 420 O ALA A 378 6.903 -0.955 -10.637 1.00 0.00 O ATOM 421 CB ALA A 378 9.480 -1.533 -8.852 1.00 0.00 C ATOM 0 H ALA A 378 8.888 -3.863 -8.246 1.00 0.00 H new ATOM 0 HA ALA A 378 7.456 -1.379 -8.173 1.00 0.00 H new ATOM 0 HB1 ALA A 378 9.506 -0.525 -9.265 1.00 0.00 H new ATOM 0 HB2 ALA A 378 9.884 -1.521 -7.840 1.00 0.00 H new ATOM 0 HB3 ALA A 378 10.081 -2.195 -9.475 1.00 0.00 H new ATOM 427 N ASP A 379 7.513 -3.101 -10.931 1.00 0.00 N ATOM 428 CA ASP A 379 6.968 -3.186 -12.280 1.00 0.00 C ATOM 429 C ASP A 379 5.481 -3.526 -12.246 1.00 0.00 C ATOM 430 O ASP A 379 4.750 -3.255 -13.198 1.00 0.00 O ATOM 431 CB ASP A 379 7.726 -4.237 -13.095 1.00 0.00 C ATOM 432 CG ASP A 379 7.461 -4.118 -14.582 1.00 0.00 C ATOM 433 OD1 ASP A 379 6.361 -4.512 -15.022 1.00 0.00 O ATOM 434 OD2 ASP A 379 8.354 -3.631 -15.307 1.00 0.00 O ATOM 0 H ASP A 379 7.949 -3.961 -10.597 1.00 0.00 H new ATOM 0 HA ASP A 379 7.089 -2.213 -12.755 1.00 0.00 H new ATOM 0 HB2 ASP A 379 8.795 -4.134 -12.910 1.00 0.00 H new ATOM 0 HB3 ASP A 379 7.438 -5.232 -12.756 1.00 0.00 H new ATOM 439 N PHE A 380 5.042 -4.123 -11.144 1.00 0.00 N ATOM 440 CA PHE A 380 3.642 -4.502 -10.986 1.00 0.00 C ATOM 441 C PHE A 380 2.854 -3.396 -10.290 1.00 0.00 C ATOM 442 O PHE A 380 1.777 -3.008 -10.742 1.00 0.00 O ATOM 443 CB PHE A 380 3.531 -5.803 -10.188 1.00 0.00 C ATOM 444 CG PHE A 380 2.115 -6.210 -9.899 1.00 0.00 C ATOM 445 CD1 PHE A 380 1.273 -6.607 -10.925 1.00 0.00 C ATOM 446 CD2 PHE A 380 1.626 -6.196 -8.604 1.00 0.00 C ATOM 447 CE1 PHE A 380 -0.031 -6.984 -10.664 1.00 0.00 C ATOM 448 CE2 PHE A 380 0.323 -6.571 -8.336 1.00 0.00 C ATOM 449 CZ PHE A 380 -0.508 -6.964 -9.367 1.00 0.00 C ATOM 0 H PHE A 380 5.635 -4.355 -10.347 1.00 0.00 H new ATOM 0 HA PHE A 380 3.219 -4.655 -11.979 1.00 0.00 H new ATOM 0 HB2 PHE A 380 4.025 -6.602 -10.741 1.00 0.00 H new ATOM 0 HB3 PHE A 380 4.067 -5.689 -9.246 1.00 0.00 H new ATOM 0 HD1 PHE A 380 1.640 -6.622 -11.941 1.00 0.00 H new ATOM 0 HD2 PHE A 380 2.270 -5.888 -7.794 1.00 0.00 H new ATOM 0 HE1 PHE A 380 -0.676 -7.294 -11.473 1.00 0.00 H new ATOM 0 HE2 PHE A 380 -0.045 -6.557 -7.321 1.00 0.00 H new ATOM 0 HZ PHE A 380 -1.527 -7.255 -9.160 1.00 0.00 H new ATOM 459 N PHE A 381 3.399 -2.893 -9.188 1.00 0.00 N ATOM 460 CA PHE A 381 2.748 -1.833 -8.428 1.00 0.00 C ATOM 461 C PHE A 381 2.611 -0.567 -9.268 1.00 0.00 C ATOM 462 O PHE A 381 1.780 0.296 -8.981 1.00 0.00 O ATOM 463 CB PHE A 381 3.538 -1.530 -7.153 1.00 0.00 C ATOM 464 CG PHE A 381 3.317 -2.535 -6.057 1.00 0.00 C ATOM 465 CD1 PHE A 381 2.035 -2.870 -5.655 1.00 0.00 C ATOM 466 CD2 PHE A 381 4.393 -3.144 -5.432 1.00 0.00 C ATOM 467 CE1 PHE A 381 1.828 -3.795 -4.649 1.00 0.00 C ATOM 468 CE2 PHE A 381 4.193 -4.069 -4.424 1.00 0.00 C ATOM 469 CZ PHE A 381 2.908 -4.394 -4.032 1.00 0.00 C ATOM 0 H PHE A 381 4.291 -3.203 -8.801 1.00 0.00 H new ATOM 0 HA PHE A 381 1.750 -2.177 -8.155 1.00 0.00 H new ATOM 0 HB2 PHE A 381 4.601 -1.494 -7.393 1.00 0.00 H new ATOM 0 HB3 PHE A 381 3.260 -0.541 -6.789 1.00 0.00 H new ATOM 0 HD1 PHE A 381 1.187 -2.403 -6.133 1.00 0.00 H new ATOM 0 HD2 PHE A 381 5.399 -2.894 -5.735 1.00 0.00 H new ATOM 0 HE1 PHE A 381 0.823 -4.049 -4.346 1.00 0.00 H new ATOM 0 HE2 PHE A 381 5.040 -4.537 -3.944 1.00 0.00 H new ATOM 0 HZ PHE A 381 2.749 -5.115 -3.244 1.00 0.00 H new ATOM 479 N LYS A 382 3.434 -0.461 -10.306 1.00 0.00 N ATOM 480 CA LYS A 382 3.406 0.699 -11.189 1.00 0.00 C ATOM 481 C LYS A 382 2.241 0.608 -12.169 1.00 0.00 C ATOM 482 O LYS A 382 1.995 1.535 -12.941 1.00 0.00 O ATOM 483 CB LYS A 382 4.725 0.811 -11.957 1.00 0.00 C ATOM 484 CG LYS A 382 4.964 -0.333 -12.926 1.00 0.00 C ATOM 485 CD LYS A 382 5.842 0.094 -14.090 1.00 0.00 C ATOM 486 CE LYS A 382 7.157 0.688 -13.608 1.00 0.00 C ATOM 487 NZ LYS A 382 8.217 -0.350 -13.474 1.00 0.00 N ATOM 0 H LYS A 382 4.129 -1.165 -10.556 1.00 0.00 H new ATOM 0 HA LYS A 382 3.273 1.590 -10.575 1.00 0.00 H new ATOM 0 HB2 LYS A 382 4.736 1.751 -12.508 1.00 0.00 H new ATOM 0 HB3 LYS A 382 5.549 0.850 -11.244 1.00 0.00 H new ATOM 0 HG2 LYS A 382 5.435 -1.164 -12.400 1.00 0.00 H new ATOM 0 HG3 LYS A 382 4.008 -0.696 -13.304 1.00 0.00 H new ATOM 0 HD2 LYS A 382 6.043 -0.765 -14.730 1.00 0.00 H new ATOM 0 HD3 LYS A 382 5.311 0.827 -14.698 1.00 0.00 H new ATOM 0 HE2 LYS A 382 7.487 1.456 -14.307 1.00 0.00 H new ATOM 0 HE3 LYS A 382 7.004 1.177 -12.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 382 9.150 0.087 -13.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 382 8.172 -0.772 -12.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 382 8.070 -1.091 -14.189 1.00 0.00 H new ATOM 501 N GLN A 383 1.526 -0.511 -12.130 1.00 0.00 N ATOM 502 CA GLN A 383 0.386 -0.720 -13.014 1.00 0.00 C ATOM 503 C GLN A 383 -0.635 0.403 -12.862 1.00 0.00 C ATOM 504 O GLN A 383 -0.969 1.087 -13.831 1.00 0.00 O ATOM 505 CB GLN A 383 -0.274 -2.068 -12.721 1.00 0.00 C ATOM 506 CG GLN A 383 0.336 -3.227 -13.494 1.00 0.00 C ATOM 507 CD GLN A 383 -0.624 -4.387 -13.662 1.00 0.00 C ATOM 508 OE1 GLN A 383 -1.840 -4.200 -13.706 1.00 0.00 O ATOM 509 NE2 GLN A 383 -0.082 -5.595 -13.757 1.00 0.00 N ATOM 0 H GLN A 383 1.716 -1.287 -11.496 1.00 0.00 H new ATOM 0 HA GLN A 383 0.751 -0.718 -14.041 1.00 0.00 H new ATOM 0 HB2 GLN A 383 -0.199 -2.275 -11.653 1.00 0.00 H new ATOM 0 HB3 GLN A 383 -1.336 -2.002 -12.959 1.00 0.00 H new ATOM 0 HG2 GLN A 383 0.652 -2.877 -14.477 1.00 0.00 H new ATOM 0 HG3 GLN A 383 1.231 -3.573 -12.976 1.00 0.00 H new ATOM 0 HE21 GLN A 383 0.931 -5.704 -13.716 1.00 0.00 H new ATOM 0 HE22 GLN A 383 -0.679 -6.414 -13.871 1.00 0.00 H new ATOM 518 N CYS A 384 -1.127 0.587 -11.642 1.00 0.00 N ATOM 519 CA CYS A 384 -2.111 1.627 -11.363 1.00 0.00 C ATOM 520 C CYS A 384 -1.587 2.997 -11.779 1.00 0.00 C ATOM 521 O CYS A 384 -2.131 3.633 -12.682 1.00 0.00 O ATOM 522 CB CYS A 384 -2.467 1.634 -9.875 1.00 0.00 C ATOM 523 SG CYS A 384 -4.146 2.205 -9.522 1.00 0.00 S ATOM 0 H CYS A 384 -0.861 0.030 -10.830 1.00 0.00 H new ATOM 0 HA CYS A 384 -3.008 1.410 -11.943 1.00 0.00 H new ATOM 0 HB2 CYS A 384 -2.346 0.626 -9.479 1.00 0.00 H new ATOM 0 HB3 CYS A 384 -1.759 2.271 -9.346 1.00 0.00 H new ATOM 0 HG CYS A 384 -4.997 1.279 -9.850 1.00 0.00 H new ATOM 529 N GLY A 385 -0.526 3.447 -11.115 1.00 0.00 N ATOM 530 CA GLY A 385 0.052 4.741 -11.430 1.00 0.00 C ATOM 531 C GLY A 385 1.563 4.686 -11.548 1.00 0.00 C ATOM 532 O GLY A 385 2.106 3.869 -12.292 1.00 0.00 O ATOM 0 H GLY A 385 -0.057 2.939 -10.365 1.00 0.00 H new ATOM 0 HA2 GLY A 385 -0.370 5.106 -12.366 1.00 0.00 H new ATOM 0 HA3 GLY A 385 -0.223 5.457 -10.656 1.00 0.00 H new ATOM 536 N VAL A 386 2.244 5.560 -10.814 1.00 0.00 N ATOM 537 CA VAL A 386 3.701 5.609 -10.839 1.00 0.00 C ATOM 538 C VAL A 386 4.280 5.495 -9.434 1.00 0.00 C ATOM 539 O VAL A 386 3.847 6.188 -8.514 1.00 0.00 O ATOM 540 CB VAL A 386 4.207 6.911 -11.487 1.00 0.00 C ATOM 541 CG1 VAL A 386 5.717 7.027 -11.344 1.00 0.00 C ATOM 542 CG2 VAL A 386 3.795 6.973 -12.950 1.00 0.00 C ATOM 0 H VAL A 386 1.810 6.244 -10.194 1.00 0.00 H new ATOM 0 HA VAL A 386 4.036 4.760 -11.436 1.00 0.00 H new ATOM 0 HB VAL A 386 3.751 7.755 -10.969 1.00 0.00 H new ATOM 0 HG11 VAL A 386 6.056 7.953 -11.808 1.00 0.00 H new ATOM 0 HG12 VAL A 386 5.983 7.032 -10.287 1.00 0.00 H new ATOM 0 HG13 VAL A 386 6.195 6.179 -11.835 1.00 0.00 H new ATOM 0 HG21 VAL A 386 4.161 7.900 -13.392 1.00 0.00 H new ATOM 0 HG22 VAL A 386 4.220 6.123 -13.484 1.00 0.00 H new ATOM 0 HG23 VAL A 386 2.708 6.940 -13.024 1.00 0.00 H new ATOM 552 N VAL A 387 5.263 4.613 -9.274 1.00 0.00 N ATOM 553 CA VAL A 387 5.903 4.408 -7.981 1.00 0.00 C ATOM 554 C VAL A 387 7.014 5.427 -7.750 1.00 0.00 C ATOM 555 O VAL A 387 7.895 5.603 -8.593 1.00 0.00 O ATOM 556 CB VAL A 387 6.490 2.990 -7.864 1.00 0.00 C ATOM 557 CG1 VAL A 387 7.142 2.792 -6.504 1.00 0.00 C ATOM 558 CG2 VAL A 387 5.411 1.945 -8.106 1.00 0.00 C ATOM 0 H VAL A 387 5.633 4.030 -10.025 1.00 0.00 H new ATOM 0 HA VAL A 387 5.132 4.537 -7.222 1.00 0.00 H new ATOM 0 HB VAL A 387 7.258 2.869 -8.628 1.00 0.00 H new ATOM 0 HG11 VAL A 387 7.551 1.784 -6.440 1.00 0.00 H new ATOM 0 HG12 VAL A 387 7.945 3.518 -6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 387 6.398 2.932 -5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 387 5.844 0.948 -8.019 1.00 0.00 H new ATOM 0 HG22 VAL A 387 4.619 2.062 -7.367 1.00 0.00 H new ATOM 0 HG23 VAL A 387 4.996 2.075 -9.106 1.00 0.00 H new ATOM 568 N LYS A 388 6.967 6.096 -6.604 1.00 0.00 N ATOM 569 CA LYS A 388 7.970 7.097 -6.260 1.00 0.00 C ATOM 570 C LYS A 388 9.379 6.536 -6.427 1.00 0.00 C ATOM 571 O LYS A 388 9.841 5.741 -5.610 1.00 0.00 O ATOM 572 CB LYS A 388 7.769 7.577 -4.820 1.00 0.00 C ATOM 573 CG LYS A 388 8.617 8.784 -4.457 1.00 0.00 C ATOM 574 CD LYS A 388 7.936 9.648 -3.410 1.00 0.00 C ATOM 575 CE LYS A 388 8.750 10.897 -3.103 1.00 0.00 C ATOM 576 NZ LYS A 388 8.691 11.885 -4.215 1.00 0.00 N ATOM 0 H LYS A 388 6.244 5.963 -5.897 1.00 0.00 H new ATOM 0 HA LYS A 388 7.851 7.942 -6.939 1.00 0.00 H new ATOM 0 HB2 LYS A 388 6.718 7.824 -4.672 1.00 0.00 H new ATOM 0 HB3 LYS A 388 8.004 6.760 -4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 388 9.585 8.451 -4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 388 8.809 9.377 -5.351 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.945 9.935 -3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 388 7.794 9.071 -2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 388 8.377 11.357 -2.188 1.00 0.00 H new ATOM 0 HE3 LYS A 388 9.788 10.618 -2.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 9.172 12.761 -3.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 9.162 11.491 -5.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 7.698 12.094 -4.441 1.00 0.00 H new ATOM 590 N MET A 389 10.055 6.956 -7.490 1.00 0.00 N ATOM 591 CA MET A 389 11.413 6.497 -7.762 1.00 0.00 C ATOM 592 C MET A 389 12.435 7.552 -7.354 1.00 0.00 C ATOM 593 O MET A 389 12.399 8.685 -7.835 1.00 0.00 O ATOM 594 CB MET A 389 11.572 6.163 -9.247 1.00 0.00 C ATOM 595 CG MET A 389 10.974 4.820 -9.636 1.00 0.00 C ATOM 596 SD MET A 389 11.928 3.426 -9.004 1.00 0.00 S ATOM 597 CE MET A 389 13.536 3.767 -9.716 1.00 0.00 C ATOM 0 H MET A 389 9.686 7.613 -8.177 1.00 0.00 H new ATOM 0 HA MET A 389 11.592 5.597 -7.173 1.00 0.00 H new ATOM 0 HB2 MET A 389 11.100 6.947 -9.840 1.00 0.00 H new ATOM 0 HB3 MET A 389 12.632 6.166 -9.500 1.00 0.00 H new ATOM 0 HG2 MET A 389 9.953 4.758 -9.258 1.00 0.00 H new ATOM 0 HG3 MET A 389 10.916 4.753 -10.722 1.00 0.00 H new ATOM 0 HE1 MET A 389 14.130 2.853 -9.727 1.00 0.00 H new ATOM 0 HE2 MET A 389 13.412 4.132 -10.736 1.00 0.00 H new ATOM 0 HE3 MET A 389 14.045 4.524 -9.119 1.00 0.00 H new ATOM 607 N ASN A 390 13.347 7.174 -6.464 1.00 0.00 N ATOM 608 CA ASN A 390 14.379 8.088 -5.990 1.00 0.00 C ATOM 609 C ASN A 390 15.024 8.831 -7.156 1.00 0.00 C ATOM 610 O ASN A 390 15.178 8.283 -8.248 1.00 0.00 O ATOM 611 CB ASN A 390 15.448 7.322 -5.206 1.00 0.00 C ATOM 612 CG ASN A 390 16.211 8.215 -4.246 1.00 0.00 C ATOM 613 OD1 ASN A 390 16.631 9.315 -4.605 1.00 0.00 O ATOM 614 ND2 ASN A 390 16.391 7.743 -3.018 1.00 0.00 N ATOM 0 H ASN A 390 13.392 6.240 -6.056 1.00 0.00 H new ATOM 0 HA ASN A 390 13.908 8.818 -5.332 1.00 0.00 H new ATOM 0 HB2 ASN A 390 14.976 6.513 -4.648 1.00 0.00 H new ATOM 0 HB3 ASN A 390 16.147 6.862 -5.904 1.00 0.00 H new ATOM 0 HD21 ASN A 390 16.896 8.298 -2.327 1.00 0.00 H new ATOM 0 HD22 ASN A 390 16.025 6.825 -2.766 1.00 0.00 H new ATOM 621 N LYS A 391 15.400 10.083 -6.917 1.00 0.00 N ATOM 622 CA LYS A 391 16.030 10.903 -7.945 1.00 0.00 C ATOM 623 C LYS A 391 17.550 10.829 -7.844 1.00 0.00 C ATOM 624 O LYS A 391 18.260 11.103 -8.812 1.00 0.00 O ATOM 625 CB LYS A 391 15.569 12.357 -7.820 1.00 0.00 C ATOM 626 CG LYS A 391 16.185 13.090 -6.640 1.00 0.00 C ATOM 627 CD LYS A 391 15.632 14.499 -6.510 1.00 0.00 C ATOM 628 CE LYS A 391 15.983 15.113 -5.163 1.00 0.00 C ATOM 629 NZ LYS A 391 17.377 15.637 -5.138 1.00 0.00 N ATOM 0 H LYS A 391 15.279 10.552 -6.019 1.00 0.00 H new ATOM 0 HA LYS A 391 15.729 10.516 -8.919 1.00 0.00 H new ATOM 0 HB2 LYS A 391 15.818 12.889 -8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 391 14.483 12.378 -7.724 1.00 0.00 H new ATOM 0 HG2 LYS A 391 15.989 12.535 -5.723 1.00 0.00 H new ATOM 0 HG3 LYS A 391 17.267 13.133 -6.761 1.00 0.00 H new ATOM 0 HD2 LYS A 391 16.030 15.123 -7.310 1.00 0.00 H new ATOM 0 HD3 LYS A 391 14.549 14.479 -6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 391 15.287 15.922 -4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 391 15.863 14.364 -4.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 17.577 16.047 -4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 18.043 14.861 -5.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 17.486 16.370 -5.868 1.00 0.00 H new ATOM 643 N ARG A 392 18.043 10.456 -6.668 1.00 0.00 N ATOM 644 CA ARG A 392 19.479 10.345 -6.441 1.00 0.00 C ATOM 645 C ARG A 392 19.949 8.905 -6.623 1.00 0.00 C ATOM 646 O ARG A 392 20.949 8.646 -7.292 1.00 0.00 O ATOM 647 CB ARG A 392 19.834 10.837 -5.037 1.00 0.00 C ATOM 648 CG ARG A 392 21.315 10.727 -4.710 1.00 0.00 C ATOM 649 CD ARG A 392 21.544 10.560 -3.216 1.00 0.00 C ATOM 650 NE ARG A 392 22.960 10.638 -2.868 1.00 0.00 N ATOM 651 CZ ARG A 392 23.402 10.879 -1.638 1.00 0.00 C ATOM 652 NH1 ARG A 392 22.543 11.064 -0.645 1.00 0.00 N ATOM 653 NH2 ARG A 392 24.706 10.935 -1.400 1.00 0.00 N ATOM 0 H ARG A 392 17.469 10.225 -5.857 1.00 0.00 H new ATOM 0 HA ARG A 392 19.987 10.969 -7.176 1.00 0.00 H new ATOM 0 HB2 ARG A 392 19.525 11.877 -4.937 1.00 0.00 H new ATOM 0 HB3 ARG A 392 19.265 10.263 -4.305 1.00 0.00 H new ATOM 0 HG2 ARG A 392 21.744 9.878 -5.242 1.00 0.00 H new ATOM 0 HG3 ARG A 392 21.834 11.619 -5.061 1.00 0.00 H new ATOM 0 HD2 ARG A 392 20.995 11.332 -2.676 1.00 0.00 H new ATOM 0 HD3 ARG A 392 21.144 9.599 -2.893 1.00 0.00 H new ATOM 0 HE ARG A 392 23.647 10.500 -3.609 1.00 0.00 H new ATOM 0 HH11 ARG A 392 21.540 11.022 -0.824 1.00 0.00 H new ATOM 0 HH12 ARG A 392 22.885 11.249 0.298 1.00 0.00 H new ATOM 0 HH21 ARG A 392 25.370 10.793 -2.161 1.00 0.00 H new ATOM 0 HH22 ARG A 392 25.045 11.120 -0.456 1.00 0.00 H new ATOM 667 N THR A 393 19.220 7.971 -6.020 1.00 0.00 N ATOM 668 CA THR A 393 19.563 6.557 -6.112 1.00 0.00 C ATOM 669 C THR A 393 18.905 5.910 -7.325 1.00 0.00 C ATOM 670 O THR A 393 19.408 4.925 -7.865 1.00 0.00 O ATOM 671 CB THR A 393 19.140 5.792 -4.844 1.00 0.00 C ATOM 672 OG1 THR A 393 17.766 6.063 -4.543 1.00 0.00 O ATOM 673 CG2 THR A 393 20.010 6.184 -3.659 1.00 0.00 C ATOM 0 H THR A 393 18.389 8.168 -5.463 1.00 0.00 H new ATOM 0 HA THR A 393 20.647 6.501 -6.216 1.00 0.00 H new ATOM 0 HB THR A 393 19.267 4.726 -5.031 1.00 0.00 H new ATOM 0 HG1 THR A 393 17.518 5.610 -3.710 1.00 0.00 H new ATOM 0 HG21 THR A 393 19.692 5.631 -2.775 1.00 0.00 H new ATOM 0 HG22 THR A 393 21.051 5.949 -3.879 1.00 0.00 H new ATOM 0 HG23 THR A 393 19.911 7.253 -3.473 1.00 0.00 H new ATOM 681 N GLY A 394 17.778 6.471 -7.751 1.00 0.00 N ATOM 682 CA GLY A 394 17.069 5.935 -8.899 1.00 0.00 C ATOM 683 C GLY A 394 16.422 4.596 -8.607 1.00 0.00 C ATOM 684 O GLY A 394 16.308 3.749 -9.492 1.00 0.00 O ATOM 0 H GLY A 394 17.343 7.287 -7.322 1.00 0.00 H new ATOM 0 HA2 GLY A 394 16.303 6.644 -9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 394 17.763 5.826 -9.732 1.00 0.00 H new ATOM 688 N GLN A 395 15.998 4.404 -7.362 1.00 0.00 N ATOM 689 CA GLN A 395 15.360 3.157 -6.957 1.00 0.00 C ATOM 690 C GLN A 395 13.954 3.412 -6.423 1.00 0.00 C ATOM 691 O GLN A 395 13.640 4.493 -5.923 1.00 0.00 O ATOM 692 CB GLN A 395 16.202 2.453 -5.892 1.00 0.00 C ATOM 693 CG GLN A 395 16.485 3.314 -4.671 1.00 0.00 C ATOM 694 CD GLN A 395 16.637 2.498 -3.403 1.00 0.00 C ATOM 695 OE1 GLN A 395 17.748 2.143 -3.009 1.00 0.00 O ATOM 696 NE2 GLN A 395 15.517 2.196 -2.755 1.00 0.00 N ATOM 0 H GLN A 395 16.085 5.095 -6.617 1.00 0.00 H new ATOM 0 HA GLN A 395 15.284 2.515 -7.835 1.00 0.00 H new ATOM 0 HB2 GLN A 395 15.687 1.546 -5.575 1.00 0.00 H new ATOM 0 HB3 GLN A 395 17.149 2.144 -6.335 1.00 0.00 H new ATOM 0 HG2 GLN A 395 17.396 3.889 -4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 395 15.675 4.031 -4.542 1.00 0.00 H new ATOM 0 HE21 GLN A 395 14.617 2.511 -3.118 1.00 0.00 H new ATOM 0 HE22 GLN A 395 15.557 1.649 -1.895 1.00 0.00 H new ATOM 705 N PRO A 396 13.086 2.396 -6.532 1.00 0.00 N ATOM 706 CA PRO A 396 11.698 2.487 -6.067 1.00 0.00 C ATOM 707 C PRO A 396 11.600 2.537 -4.546 1.00 0.00 C ATOM 708 O PRO A 396 12.389 1.908 -3.843 1.00 0.00 O ATOM 709 CB PRO A 396 11.060 1.203 -6.603 1.00 0.00 C ATOM 710 CG PRO A 396 12.195 0.249 -6.749 1.00 0.00 C ATOM 711 CD PRO A 396 13.391 1.080 -7.119 1.00 0.00 C ATOM 0 HA PRO A 396 11.210 3.398 -6.413 1.00 0.00 H new ATOM 0 HB2 PRO A 396 10.306 0.819 -5.916 1.00 0.00 H new ATOM 0 HB3 PRO A 396 10.563 1.376 -7.558 1.00 0.00 H new ATOM 0 HG2 PRO A 396 12.370 -0.294 -5.820 1.00 0.00 H new ATOM 0 HG3 PRO A 396 11.983 -0.494 -7.518 1.00 0.00 H new ATOM 0 HD2 PRO A 396 14.312 0.662 -6.712 1.00 0.00 H new ATOM 0 HD3 PRO A 396 13.519 1.142 -8.200 1.00 0.00 H new ATOM 719 N MET A 397 10.625 3.289 -4.046 1.00 0.00 N ATOM 720 CA MET A 397 10.423 3.419 -2.607 1.00 0.00 C ATOM 721 C MET A 397 9.643 2.228 -2.059 1.00 0.00 C ATOM 722 O MET A 397 8.761 2.389 -1.214 1.00 0.00 O ATOM 723 CB MET A 397 9.681 4.719 -2.291 1.00 0.00 C ATOM 724 CG MET A 397 10.459 5.969 -2.670 1.00 0.00 C ATOM 725 SD MET A 397 11.512 6.565 -1.334 1.00 0.00 S ATOM 726 CE MET A 397 13.016 6.940 -2.231 1.00 0.00 C ATOM 0 H MET A 397 9.963 3.817 -4.615 1.00 0.00 H new ATOM 0 HA MET A 397 11.401 3.442 -2.127 1.00 0.00 H new ATOM 0 HB2 MET A 397 8.727 4.721 -2.818 1.00 0.00 H new ATOM 0 HB3 MET A 397 9.456 4.750 -1.225 1.00 0.00 H new ATOM 0 HG2 MET A 397 11.074 5.758 -3.545 1.00 0.00 H new ATOM 0 HG3 MET A 397 9.759 6.755 -2.954 1.00 0.00 H new ATOM 0 HE1 MET A 397 13.767 7.321 -1.539 1.00 0.00 H new ATOM 0 HE2 MET A 397 13.389 6.035 -2.710 1.00 0.00 H new ATOM 0 HE3 MET A 397 12.808 7.693 -2.991 1.00 0.00 H new ATOM 736 N ILE A 398 9.973 1.036 -2.543 1.00 0.00 N ATOM 737 CA ILE A 398 9.303 -0.180 -2.099 1.00 0.00 C ATOM 738 C ILE A 398 10.117 -0.897 -1.029 1.00 0.00 C ATOM 739 O ILE A 398 11.348 -0.930 -1.088 1.00 0.00 O ATOM 740 CB ILE A 398 9.054 -1.146 -3.273 1.00 0.00 C ATOM 741 CG1 ILE A 398 8.078 -0.526 -4.275 1.00 0.00 C ATOM 742 CG2 ILE A 398 8.523 -2.476 -2.761 1.00 0.00 C ATOM 743 CD1 ILE A 398 7.907 -1.342 -5.537 1.00 0.00 C ATOM 0 H ILE A 398 10.700 0.886 -3.243 1.00 0.00 H new ATOM 0 HA ILE A 398 8.344 0.123 -1.679 1.00 0.00 H new ATOM 0 HB ILE A 398 10.001 -1.327 -3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 398 7.106 -0.405 -3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 398 8.428 0.471 -4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 398 8.352 -3.148 -3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 398 9.251 -2.922 -2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 398 7.585 -2.313 -2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 398 7.201 -0.842 -6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 398 8.869 -1.442 -6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 398 7.527 -2.331 -5.282 1.00 0.00 H new ATOM 755 N HIS A 399 9.424 -1.474 -0.052 1.00 0.00 N ATOM 756 CA HIS A 399 10.084 -2.194 1.031 1.00 0.00 C ATOM 757 C HIS A 399 9.618 -3.646 1.081 1.00 0.00 C ATOM 758 O HIS A 399 8.442 -3.938 0.865 1.00 0.00 O ATOM 759 CB HIS A 399 9.804 -1.511 2.370 1.00 0.00 C ATOM 760 CG HIS A 399 10.911 -1.672 3.367 1.00 0.00 C ATOM 761 ND1 HIS A 399 12.128 -1.034 3.249 1.00 0.00 N ATOM 762 CD2 HIS A 399 10.979 -2.402 4.504 1.00 0.00 C ATOM 763 CE1 HIS A 399 12.897 -1.368 4.272 1.00 0.00 C ATOM 764 NE2 HIS A 399 12.222 -2.196 5.048 1.00 0.00 N ATOM 0 H HIS A 399 8.406 -1.457 0.012 1.00 0.00 H new ATOM 0 HA HIS A 399 11.157 -2.181 0.842 1.00 0.00 H new ATOM 0 HB2 HIS A 399 9.633 -0.448 2.198 1.00 0.00 H new ATOM 0 HB3 HIS A 399 8.885 -1.918 2.791 1.00 0.00 H new ATOM 0 HD2 HIS A 399 10.199 -3.030 4.909 1.00 0.00 H new ATOM 0 HE1 HIS A 399 13.906 -1.022 4.443 1.00 0.00 H new ATOM 0 HE2 HIS A 399 12.568 -2.614 5.911 1.00 0.00 H new ATOM 772 N ILE A 400 10.549 -4.551 1.365 1.00 0.00 N ATOM 773 CA ILE A 400 10.234 -5.972 1.444 1.00 0.00 C ATOM 774 C ILE A 400 10.871 -6.610 2.673 1.00 0.00 C ATOM 775 O ILE A 400 12.031 -7.021 2.641 1.00 0.00 O ATOM 776 CB ILE A 400 10.706 -6.724 0.185 1.00 0.00 C ATOM 777 CG1 ILE A 400 10.000 -6.178 -1.058 1.00 0.00 C ATOM 778 CG2 ILE A 400 10.453 -8.216 0.333 1.00 0.00 C ATOM 779 CD1 ILE A 400 10.395 -6.884 -2.336 1.00 0.00 C ATOM 0 H ILE A 400 11.527 -4.325 1.544 1.00 0.00 H new ATOM 0 HA ILE A 400 9.149 -6.051 1.519 1.00 0.00 H new ATOM 0 HB ILE A 400 11.778 -6.568 0.068 1.00 0.00 H new ATOM 0 HG12 ILE A 400 8.922 -6.266 -0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 400 10.223 -5.116 -1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 400 10.792 -8.733 -0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 400 10.999 -8.594 1.197 1.00 0.00 H new ATOM 0 HG23 ILE A 400 9.386 -8.392 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 400 9.856 -6.445 -3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 400 11.468 -6.774 -2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 400 10.146 -7.942 -2.259 1.00 0.00 H new ATOM 791 N TYR A 401 10.104 -6.691 3.755 1.00 0.00 N ATOM 792 CA TYR A 401 10.594 -7.279 4.996 1.00 0.00 C ATOM 793 C TYR A 401 10.950 -8.749 4.799 1.00 0.00 C ATOM 794 O TYR A 401 10.140 -9.536 4.307 1.00 0.00 O ATOM 795 CB TYR A 401 9.543 -7.140 6.100 1.00 0.00 C ATOM 796 CG TYR A 401 8.880 -5.783 6.137 1.00 0.00 C ATOM 797 CD1 TYR A 401 7.826 -5.479 5.284 1.00 0.00 C ATOM 798 CD2 TYR A 401 9.307 -4.803 7.025 1.00 0.00 C ATOM 799 CE1 TYR A 401 7.217 -4.239 5.314 1.00 0.00 C ATOM 800 CE2 TYR A 401 8.704 -3.561 7.063 1.00 0.00 C ATOM 801 CZ TYR A 401 7.659 -3.284 6.206 1.00 0.00 C ATOM 802 OH TYR A 401 7.056 -2.047 6.240 1.00 0.00 O ATOM 0 H TYR A 401 9.141 -6.357 3.798 1.00 0.00 H new ATOM 0 HA TYR A 401 11.496 -6.743 5.292 1.00 0.00 H new ATOM 0 HB2 TYR A 401 8.779 -7.905 5.961 1.00 0.00 H new ATOM 0 HB3 TYR A 401 10.014 -7.331 7.064 1.00 0.00 H new ATOM 0 HD1 TYR A 401 7.477 -6.225 4.585 1.00 0.00 H new ATOM 0 HD2 TYR A 401 10.125 -5.016 7.697 1.00 0.00 H new ATOM 0 HE1 TYR A 401 6.400 -4.019 4.643 1.00 0.00 H new ATOM 0 HE2 TYR A 401 9.049 -2.811 7.760 1.00 0.00 H new ATOM 0 HH TYR A 401 7.485 -1.492 6.924 1.00 0.00 H new ATOM 812 N LEU A 402 12.168 -9.112 5.187 1.00 0.00 N ATOM 813 CA LEU A 402 12.634 -10.489 5.054 1.00 0.00 C ATOM 814 C LEU A 402 12.814 -11.137 6.424 1.00 0.00 C ATOM 815 O LEU A 402 13.383 -10.537 7.336 1.00 0.00 O ATOM 816 CB LEU A 402 13.953 -10.530 4.281 1.00 0.00 C ATOM 817 CG LEU A 402 13.985 -9.747 2.968 1.00 0.00 C ATOM 818 CD1 LEU A 402 15.374 -9.801 2.349 1.00 0.00 C ATOM 819 CD2 LEU A 402 12.945 -10.287 1.999 1.00 0.00 C ATOM 0 H LEU A 402 12.850 -8.473 5.596 1.00 0.00 H new ATOM 0 HA LEU A 402 11.880 -11.050 4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 402 14.743 -10.148 4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 402 14.193 -11.571 4.066 1.00 0.00 H new ATOM 0 HG LEU A 402 13.745 -8.705 3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 402 15.378 -9.239 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 402 16.097 -9.365 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 402 15.643 -10.838 2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 402 12.983 -9.717 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 402 13.153 -11.336 1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 402 11.953 -10.195 2.441 1.00 0.00 H new ATOM 831 N ASP A 403 12.326 -12.365 6.559 1.00 0.00 N ATOM 832 CA ASP A 403 12.435 -13.097 7.816 1.00 0.00 C ATOM 833 C ASP A 403 13.889 -13.188 8.267 1.00 0.00 C ATOM 834 O ASP A 403 14.737 -13.733 7.559 1.00 0.00 O ATOM 835 CB ASP A 403 11.846 -14.501 7.667 1.00 0.00 C ATOM 836 CG ASP A 403 11.284 -15.034 8.971 1.00 0.00 C ATOM 837 OD1 ASP A 403 11.463 -14.367 10.011 1.00 0.00 O ATOM 838 OD2 ASP A 403 10.665 -16.118 8.950 1.00 0.00 O ATOM 0 H ASP A 403 11.851 -12.875 5.814 1.00 0.00 H new ATOM 0 HA ASP A 403 11.871 -12.554 8.574 1.00 0.00 H new ATOM 0 HB2 ASP A 403 11.057 -14.483 6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 403 12.618 -15.179 7.303 1.00 0.00 H new ATOM 843 N LYS A 404 14.172 -12.650 9.449 1.00 0.00 N ATOM 844 CA LYS A 404 15.524 -12.671 9.996 1.00 0.00 C ATOM 845 C LYS A 404 15.939 -14.090 10.368 1.00 0.00 C ATOM 846 O LYS A 404 17.063 -14.320 10.815 1.00 0.00 O ATOM 847 CB LYS A 404 15.612 -11.763 11.225 1.00 0.00 C ATOM 848 CG LYS A 404 15.219 -12.452 12.520 1.00 0.00 C ATOM 849 CD LYS A 404 13.728 -12.742 12.567 1.00 0.00 C ATOM 850 CE LYS A 404 12.923 -11.477 12.820 1.00 0.00 C ATOM 851 NZ LYS A 404 11.508 -11.623 12.378 1.00 0.00 N ATOM 0 H LYS A 404 13.483 -12.194 10.047 1.00 0.00 H new ATOM 0 HA LYS A 404 16.205 -12.302 9.229 1.00 0.00 H new ATOM 0 HB2 LYS A 404 16.632 -11.389 11.317 1.00 0.00 H new ATOM 0 HB3 LYS A 404 14.967 -10.897 11.074 1.00 0.00 H new ATOM 0 HG2 LYS A 404 15.775 -13.384 12.621 1.00 0.00 H new ATOM 0 HG3 LYS A 404 15.495 -11.823 13.366 1.00 0.00 H new ATOM 0 HD2 LYS A 404 13.414 -13.192 11.625 1.00 0.00 H new ATOM 0 HD3 LYS A 404 13.522 -13.469 13.353 1.00 0.00 H new ATOM 0 HE2 LYS A 404 12.949 -11.237 13.883 1.00 0.00 H new ATOM 0 HE3 LYS A 404 13.384 -10.642 12.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 404 10.992 -10.740 12.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 404 11.482 -11.827 11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 404 11.060 -12.404 12.899 1.00 0.00 H new ATOM 865 N GLU A 405 15.025 -15.038 10.182 1.00 0.00 N ATOM 866 CA GLU A 405 15.299 -16.435 10.498 1.00 0.00 C ATOM 867 C GLU A 405 15.929 -17.149 9.307 1.00 0.00 C ATOM 868 O GLU A 405 16.839 -17.963 9.466 1.00 0.00 O ATOM 869 CB GLU A 405 14.010 -17.149 10.911 1.00 0.00 C ATOM 870 CG GLU A 405 13.200 -16.390 11.948 1.00 0.00 C ATOM 871 CD GLU A 405 12.399 -17.309 12.851 1.00 0.00 C ATOM 872 OE1 GLU A 405 13.012 -17.974 13.713 1.00 0.00 O ATOM 873 OE2 GLU A 405 11.162 -17.365 12.694 1.00 0.00 O ATOM 0 H GLU A 405 14.090 -14.864 9.815 1.00 0.00 H new ATOM 0 HA GLU A 405 16.004 -16.461 11.329 1.00 0.00 H new ATOM 0 HB2 GLU A 405 13.394 -17.309 10.026 1.00 0.00 H new ATOM 0 HB3 GLU A 405 14.260 -18.133 11.307 1.00 0.00 H new ATOM 0 HG2 GLU A 405 13.872 -15.785 12.556 1.00 0.00 H new ATOM 0 HG3 GLU A 405 12.522 -15.703 11.442 1.00 0.00 H new ATOM 880 N THR A 406 15.439 -16.839 8.110 1.00 0.00 N ATOM 881 CA THR A 406 15.952 -17.451 6.892 1.00 0.00 C ATOM 882 C THR A 406 16.471 -16.395 5.921 1.00 0.00 C ATOM 883 O THR A 406 17.460 -16.613 5.223 1.00 0.00 O ATOM 884 CB THR A 406 14.871 -18.291 6.187 1.00 0.00 C ATOM 885 OG1 THR A 406 13.854 -17.434 5.653 1.00 0.00 O ATOM 886 CG2 THR A 406 14.246 -19.288 7.151 1.00 0.00 C ATOM 0 H THR A 406 14.687 -16.167 7.959 1.00 0.00 H new ATOM 0 HA THR A 406 16.773 -18.103 7.189 1.00 0.00 H new ATOM 0 HB THR A 406 15.344 -18.843 5.374 1.00 0.00 H new ATOM 0 HG1 THR A 406 13.081 -17.429 6.255 1.00 0.00 H new ATOM 0 HG21 THR A 406 13.485 -19.870 6.630 1.00 0.00 H new ATOM 0 HG22 THR A 406 15.017 -19.957 7.533 1.00 0.00 H new ATOM 0 HG23 THR A 406 13.787 -18.752 7.982 1.00 0.00 H new ATOM 894 N GLY A 407 15.797 -15.249 5.886 1.00 0.00 N ATOM 895 CA GLY A 407 16.207 -14.176 4.998 1.00 0.00 C ATOM 896 C GLY A 407 15.267 -14.007 3.821 1.00 0.00 C ATOM 897 O GLY A 407 15.465 -13.131 2.979 1.00 0.00 O ATOM 0 H GLY A 407 14.976 -15.045 6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 407 16.254 -13.242 5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 407 17.213 -14.378 4.630 1.00 0.00 H new ATOM 901 N LYS A 408 14.242 -14.850 3.759 1.00 0.00 N ATOM 902 CA LYS A 408 13.266 -14.791 2.676 1.00 0.00 C ATOM 903 C LYS A 408 12.154 -13.798 2.998 1.00 0.00 C ATOM 904 O LYS A 408 11.837 -13.541 4.159 1.00 0.00 O ATOM 905 CB LYS A 408 12.670 -16.177 2.424 1.00 0.00 C ATOM 906 CG LYS A 408 11.766 -16.664 3.544 1.00 0.00 C ATOM 907 CD LYS A 408 11.585 -18.173 3.499 1.00 0.00 C ATOM 908 CE LYS A 408 10.720 -18.664 4.649 1.00 0.00 C ATOM 909 NZ LYS A 408 10.788 -20.143 4.802 1.00 0.00 N ATOM 0 H LYS A 408 14.065 -15.583 4.446 1.00 0.00 H new ATOM 0 HA LYS A 408 13.780 -14.454 1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 408 12.102 -16.155 1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 408 13.481 -16.892 2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 408 12.190 -16.376 4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 408 10.794 -16.178 3.466 1.00 0.00 H new ATOM 0 HD2 LYS A 408 11.128 -18.458 2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 408 12.560 -18.659 3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 408 11.043 -18.188 5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 408 9.686 -18.364 4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 10.185 -20.438 5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 10.456 -20.598 3.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 11.771 -20.428 4.989 1.00 0.00 H new ATOM 923 N PRO A 409 11.547 -13.227 1.948 1.00 0.00 N ATOM 924 CA PRO A 409 10.459 -12.255 2.093 1.00 0.00 C ATOM 925 C PRO A 409 9.176 -12.895 2.612 1.00 0.00 C ATOM 926 O PRO A 409 8.381 -13.431 1.841 1.00 0.00 O ATOM 927 CB PRO A 409 10.258 -11.732 0.670 1.00 0.00 C ATOM 928 CG PRO A 409 10.747 -12.829 -0.211 1.00 0.00 C ATOM 929 CD PRO A 409 11.875 -13.487 0.535 1.00 0.00 C ATOM 0 HA PRO A 409 10.701 -11.477 2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 409 9.209 -11.506 0.476 1.00 0.00 H new ATOM 0 HB3 PRO A 409 10.818 -10.812 0.504 1.00 0.00 H new ATOM 0 HG2 PRO A 409 9.951 -13.543 -0.424 1.00 0.00 H new ATOM 0 HG3 PRO A 409 11.089 -12.437 -1.169 1.00 0.00 H new ATOM 0 HD2 PRO A 409 11.927 -14.555 0.324 1.00 0.00 H new ATOM 0 HD3 PRO A 409 12.840 -13.061 0.262 1.00 0.00 H new ATOM 937 N LYS A 410 8.979 -12.835 3.925 1.00 0.00 N ATOM 938 CA LYS A 410 7.791 -13.406 4.549 1.00 0.00 C ATOM 939 C LYS A 410 6.583 -13.291 3.625 1.00 0.00 C ATOM 940 O LYS A 410 5.896 -14.275 3.359 1.00 0.00 O ATOM 941 CB LYS A 410 7.499 -12.706 5.877 1.00 0.00 C ATOM 942 CG LYS A 410 7.739 -11.206 5.840 1.00 0.00 C ATOM 943 CD LYS A 410 8.045 -10.656 7.222 1.00 0.00 C ATOM 944 CE LYS A 410 6.818 -10.691 8.120 1.00 0.00 C ATOM 945 NZ LYS A 410 7.127 -10.221 9.500 1.00 0.00 N ATOM 0 H LYS A 410 9.628 -12.396 4.578 1.00 0.00 H new ATOM 0 HA LYS A 410 7.983 -14.462 4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 410 6.462 -12.893 6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.123 -13.146 6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 410 8.569 -10.986 5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 410 6.859 -10.706 5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 410 8.847 -11.238 7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 410 8.405 -9.631 7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 410 6.035 -10.066 7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 410 6.427 -11.708 8.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 6.265 -10.260 10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 7.856 -10.833 9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 7.476 -9.242 9.463 1.00 0.00 H new ATOM 959 N GLY A 411 6.330 -12.079 3.137 1.00 0.00 N ATOM 960 CA GLY A 411 5.206 -11.858 2.248 1.00 0.00 C ATOM 961 C GLY A 411 4.663 -10.445 2.340 1.00 0.00 C ATOM 962 O GLY A 411 3.892 -10.012 1.484 1.00 0.00 O ATOM 0 H GLY A 411 6.884 -11.248 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 411 5.513 -12.060 1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 411 4.412 -12.565 2.488 1.00 0.00 H new ATOM 966 N ASP A 412 5.063 -9.727 3.384 1.00 0.00 N ATOM 967 CA ASP A 412 4.611 -8.355 3.586 1.00 0.00 C ATOM 968 C ASP A 412 5.552 -7.366 2.905 1.00 0.00 C ATOM 969 O ASP A 412 6.751 -7.616 2.788 1.00 0.00 O ATOM 970 CB ASP A 412 4.516 -8.042 5.080 1.00 0.00 C ATOM 971 CG ASP A 412 5.869 -8.072 5.764 1.00 0.00 C ATOM 972 OD1 ASP A 412 6.839 -8.545 5.137 1.00 0.00 O ATOM 973 OD2 ASP A 412 5.956 -7.626 6.928 1.00 0.00 O ATOM 0 H ASP A 412 5.699 -10.072 4.103 1.00 0.00 H new ATOM 0 HA ASP A 412 3.622 -8.255 3.138 1.00 0.00 H new ATOM 0 HB2 ASP A 412 4.066 -7.059 5.214 1.00 0.00 H new ATOM 0 HB3 ASP A 412 3.854 -8.764 5.558 1.00 0.00 H new ATOM 978 N ALA A 413 4.999 -6.245 2.456 1.00 0.00 N ATOM 979 CA ALA A 413 5.789 -5.218 1.786 1.00 0.00 C ATOM 980 C ALA A 413 5.050 -3.885 1.765 1.00 0.00 C ATOM 981 O ALA A 413 3.869 -3.811 2.106 1.00 0.00 O ATOM 982 CB ALA A 413 6.132 -5.656 0.371 1.00 0.00 C ATOM 0 H ALA A 413 4.007 -6.024 2.544 1.00 0.00 H new ATOM 0 HA ALA A 413 6.714 -5.082 2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 413 6.722 -4.880 -0.117 1.00 0.00 H new ATOM 0 HB2 ALA A 413 6.707 -6.581 0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 413 5.213 -5.821 -0.192 1.00 0.00 H new ATOM 988 N THR A 414 5.754 -2.830 1.362 1.00 0.00 N ATOM 989 CA THR A 414 5.166 -1.499 1.298 1.00 0.00 C ATOM 990 C THR A 414 5.611 -0.760 0.041 1.00 0.00 C ATOM 991 O THR A 414 6.755 -0.893 -0.396 1.00 0.00 O ATOM 992 CB THR A 414 5.541 -0.659 2.534 1.00 0.00 C ATOM 993 OG1 THR A 414 6.882 -0.957 2.939 1.00 0.00 O ATOM 994 CG2 THR A 414 4.585 -0.930 3.685 1.00 0.00 C ATOM 0 H THR A 414 6.732 -2.873 1.075 1.00 0.00 H new ATOM 0 HA THR A 414 4.085 -1.633 1.273 1.00 0.00 H new ATOM 0 HB THR A 414 5.468 0.395 2.265 1.00 0.00 H new ATOM 0 HG1 THR A 414 7.114 -0.418 3.724 1.00 0.00 H new ATOM 0 HG21 THR A 414 4.871 -0.325 4.546 1.00 0.00 H new ATOM 0 HG22 THR A 414 3.570 -0.674 3.383 1.00 0.00 H new ATOM 0 HG23 THR A 414 4.628 -1.986 3.953 1.00 0.00 H new ATOM 1002 N VAL A 415 4.701 0.018 -0.537 1.00 0.00 N ATOM 1003 CA VAL A 415 5.002 0.780 -1.743 1.00 0.00 C ATOM 1004 C VAL A 415 4.616 2.245 -1.579 1.00 0.00 C ATOM 1005 O VAL A 415 3.447 2.570 -1.371 1.00 0.00 O ATOM 1006 CB VAL A 415 4.269 0.200 -2.969 1.00 0.00 C ATOM 1007 CG1 VAL A 415 4.601 1.003 -4.217 1.00 0.00 C ATOM 1008 CG2 VAL A 415 4.626 -1.266 -3.158 1.00 0.00 C ATOM 0 H VAL A 415 3.749 0.137 -0.189 1.00 0.00 H new ATOM 0 HA VAL A 415 6.078 0.708 -1.904 1.00 0.00 H new ATOM 0 HB VAL A 415 3.195 0.269 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 415 4.075 0.580 -5.073 1.00 0.00 H new ATOM 0 HG12 VAL A 415 4.291 2.038 -4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 415 5.675 0.967 -4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 415 4.100 -1.659 -4.028 1.00 0.00 H new ATOM 0 HG22 VAL A 415 5.701 -1.362 -3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 415 4.333 -1.829 -2.272 1.00 0.00 H new ATOM 1018 N SER A 416 5.605 3.127 -1.674 1.00 0.00 N ATOM 1019 CA SER A 416 5.370 4.558 -1.533 1.00 0.00 C ATOM 1020 C SER A 416 5.122 5.205 -2.893 1.00 0.00 C ATOM 1021 O SER A 416 6.013 5.255 -3.741 1.00 0.00 O ATOM 1022 CB SER A 416 6.562 5.228 -0.848 1.00 0.00 C ATOM 1023 OG SER A 416 6.558 4.973 0.547 1.00 0.00 O ATOM 0 H SER A 416 6.578 2.875 -1.848 1.00 0.00 H new ATOM 0 HA SER A 416 4.482 4.695 -0.917 1.00 0.00 H new ATOM 0 HB2 SER A 416 7.490 4.861 -1.285 1.00 0.00 H new ATOM 0 HB3 SER A 416 6.530 6.303 -1.025 1.00 0.00 H new ATOM 0 HG SER A 416 7.331 5.410 0.962 1.00 0.00 H new ATOM 1029 N TYR A 417 3.906 5.699 -3.093 1.00 0.00 N ATOM 1030 CA TYR A 417 3.538 6.340 -4.350 1.00 0.00 C ATOM 1031 C TYR A 417 3.899 7.823 -4.331 1.00 0.00 C ATOM 1032 O TYR A 417 4.181 8.390 -3.277 1.00 0.00 O ATOM 1033 CB TYR A 417 2.041 6.172 -4.614 1.00 0.00 C ATOM 1034 CG TYR A 417 1.668 4.799 -5.128 1.00 0.00 C ATOM 1035 CD1 TYR A 417 2.031 4.391 -6.405 1.00 0.00 C ATOM 1036 CD2 TYR A 417 0.951 3.911 -4.335 1.00 0.00 C ATOM 1037 CE1 TYR A 417 1.692 3.138 -6.878 1.00 0.00 C ATOM 1038 CE2 TYR A 417 0.609 2.656 -4.800 1.00 0.00 C ATOM 1039 CZ TYR A 417 0.980 2.275 -6.072 1.00 0.00 C ATOM 1040 OH TYR A 417 0.641 1.025 -6.539 1.00 0.00 O ATOM 0 H TYR A 417 3.158 5.668 -2.401 1.00 0.00 H new ATOM 0 HA TYR A 417 4.098 5.858 -5.152 1.00 0.00 H new ATOM 0 HB2 TYR A 417 1.494 6.367 -3.692 1.00 0.00 H new ATOM 0 HB3 TYR A 417 1.722 6.921 -5.338 1.00 0.00 H new ATOM 0 HD1 TYR A 417 2.588 5.065 -7.039 1.00 0.00 H new ATOM 0 HD2 TYR A 417 0.656 4.207 -3.339 1.00 0.00 H new ATOM 0 HE1 TYR A 417 1.983 2.836 -7.873 1.00 0.00 H new ATOM 0 HE2 TYR A 417 0.054 1.977 -4.170 1.00 0.00 H new ATOM 0 HH TYR A 417 1.087 0.864 -7.396 1.00 0.00 H new ATOM 1050 N GLU A 418 3.887 8.443 -5.506 1.00 0.00 N ATOM 1051 CA GLU A 418 4.213 9.860 -5.626 1.00 0.00 C ATOM 1052 C GLU A 418 3.229 10.713 -4.830 1.00 0.00 C ATOM 1053 O GLU A 418 3.607 11.380 -3.867 1.00 0.00 O ATOM 1054 CB GLU A 418 4.202 10.286 -7.095 1.00 0.00 C ATOM 1055 CG GLU A 418 5.230 9.561 -7.947 1.00 0.00 C ATOM 1056 CD GLU A 418 6.564 10.281 -7.991 1.00 0.00 C ATOM 1057 OE1 GLU A 418 6.920 10.931 -6.986 1.00 0.00 O ATOM 1058 OE2 GLU A 418 7.251 10.196 -9.030 1.00 0.00 O ATOM 0 H GLU A 418 3.655 7.987 -6.389 1.00 0.00 H new ATOM 0 HA GLU A 418 5.212 10.013 -5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 418 3.209 10.108 -7.509 1.00 0.00 H new ATOM 0 HB3 GLU A 418 4.385 11.359 -7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 418 5.377 8.555 -7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 418 4.845 9.454 -8.961 1.00 0.00 H new ATOM 1065 N ASP A 419 1.966 10.686 -5.239 1.00 0.00 N ATOM 1066 CA ASP A 419 0.927 11.457 -4.565 1.00 0.00 C ATOM 1067 C ASP A 419 -0.068 10.533 -3.870 1.00 0.00 C ATOM 1068 O ASP A 419 -0.225 9.366 -4.228 1.00 0.00 O ATOM 1069 CB ASP A 419 0.196 12.352 -5.567 1.00 0.00 C ATOM 1070 CG ASP A 419 1.138 12.987 -6.571 1.00 0.00 C ATOM 1071 OD1 ASP A 419 1.761 14.015 -6.233 1.00 0.00 O ATOM 1072 OD2 ASP A 419 1.252 12.456 -7.695 1.00 0.00 O ATOM 0 H ASP A 419 1.636 10.139 -6.034 1.00 0.00 H new ATOM 0 HA ASP A 419 1.404 12.083 -3.811 1.00 0.00 H new ATOM 0 HB2 ASP A 419 -0.552 11.763 -6.097 1.00 0.00 H new ATOM 0 HB3 ASP A 419 -0.338 13.135 -5.028 1.00 0.00 H new ATOM 1077 N PRO A 420 -0.757 11.067 -2.849 1.00 0.00 N ATOM 1078 CA PRO A 420 -1.748 10.308 -2.081 1.00 0.00 C ATOM 1079 C PRO A 420 -2.852 9.737 -2.964 1.00 0.00 C ATOM 1080 O PRO A 420 -3.269 8.588 -2.813 1.00 0.00 O ATOM 1081 CB PRO A 420 -2.320 11.349 -1.115 1.00 0.00 C ATOM 1082 CG PRO A 420 -1.281 12.414 -1.046 1.00 0.00 C ATOM 1083 CD PRO A 420 -0.620 12.451 -2.367 1.00 0.00 C ATOM 0 HA PRO A 420 -1.306 9.444 -1.585 1.00 0.00 H new ATOM 0 HB2 PRO A 420 -3.269 11.745 -1.476 1.00 0.00 H new ATOM 0 HB3 PRO A 420 -2.509 10.916 -0.133 1.00 0.00 H new ATOM 0 HG2 PRO A 420 -1.731 13.379 -0.812 1.00 0.00 H new ATOM 0 HG3 PRO A 420 -0.559 12.199 -0.258 1.00 0.00 H new ATOM 0 HD2 PRO A 420 -1.102 13.161 -3.039 1.00 0.00 H new ATOM 0 HD3 PRO A 420 0.426 12.748 -2.286 1.00 0.00 H new ATOM 1091 N PRO A 421 -3.340 10.556 -3.907 1.00 0.00 N ATOM 1092 CA PRO A 421 -4.402 10.153 -4.834 1.00 0.00 C ATOM 1093 C PRO A 421 -4.097 8.829 -5.525 1.00 0.00 C ATOM 1094 O PRO A 421 -4.969 7.971 -5.659 1.00 0.00 O ATOM 1095 CB PRO A 421 -4.434 11.294 -5.854 1.00 0.00 C ATOM 1096 CG PRO A 421 -3.877 12.469 -5.126 1.00 0.00 C ATOM 1097 CD PRO A 421 -2.891 11.939 -4.142 1.00 0.00 C ATOM 0 HA PRO A 421 -5.351 9.994 -4.322 1.00 0.00 H new ATOM 0 HB2 PRO A 421 -3.838 11.055 -6.734 1.00 0.00 H new ATOM 0 HB3 PRO A 421 -5.449 11.488 -6.200 1.00 0.00 H new ATOM 0 HG2 PRO A 421 -3.398 13.161 -5.819 1.00 0.00 H new ATOM 0 HG3 PRO A 421 -4.669 13.021 -4.620 1.00 0.00 H new ATOM 0 HD2 PRO A 421 -1.876 11.968 -4.537 1.00 0.00 H new ATOM 0 HD3 PRO A 421 -2.892 12.522 -3.221 1.00 0.00 H new ATOM 1105 N THR A 422 -2.852 8.668 -5.962 1.00 0.00 N ATOM 1106 CA THR A 422 -2.431 7.449 -6.641 1.00 0.00 C ATOM 1107 C THR A 422 -2.430 6.261 -5.686 1.00 0.00 C ATOM 1108 O THR A 422 -2.881 5.171 -6.035 1.00 0.00 O ATOM 1109 CB THR A 422 -1.026 7.602 -7.252 1.00 0.00 C ATOM 1110 OG1 THR A 422 -0.992 8.738 -8.122 1.00 0.00 O ATOM 1111 CG2 THR A 422 -0.633 6.353 -8.026 1.00 0.00 C ATOM 0 H THR A 422 -2.117 9.367 -5.858 1.00 0.00 H new ATOM 0 HA THR A 422 -3.149 7.269 -7.441 1.00 0.00 H new ATOM 0 HB THR A 422 -0.314 7.745 -6.439 1.00 0.00 H new ATOM 0 HG1 THR A 422 -0.095 8.830 -8.505 1.00 0.00 H new ATOM 0 HG21 THR A 422 0.363 6.485 -8.448 1.00 0.00 H new ATOM 0 HG22 THR A 422 -0.632 5.494 -7.355 1.00 0.00 H new ATOM 0 HG23 THR A 422 -1.349 6.183 -8.831 1.00 0.00 H new ATOM 1119 N ALA A 423 -1.922 6.479 -4.477 1.00 0.00 N ATOM 1120 CA ALA A 423 -1.865 5.427 -3.470 1.00 0.00 C ATOM 1121 C ALA A 423 -3.253 4.860 -3.189 1.00 0.00 C ATOM 1122 O ALA A 423 -3.487 3.660 -3.336 1.00 0.00 O ATOM 1123 CB ALA A 423 -1.240 5.956 -2.188 1.00 0.00 C ATOM 0 H ALA A 423 -1.544 7.376 -4.171 1.00 0.00 H new ATOM 0 HA ALA A 423 -1.243 4.620 -3.858 1.00 0.00 H new ATOM 0 HB1 ALA A 423 -1.204 5.159 -1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 423 -0.228 6.306 -2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 423 -1.839 6.782 -1.805 1.00 0.00 H new ATOM 1129 N LYS A 424 -4.172 5.731 -2.784 1.00 0.00 N ATOM 1130 CA LYS A 424 -5.537 5.319 -2.483 1.00 0.00 C ATOM 1131 C LYS A 424 -6.133 4.522 -3.640 1.00 0.00 C ATOM 1132 O LYS A 424 -6.880 3.568 -3.429 1.00 0.00 O ATOM 1133 CB LYS A 424 -6.409 6.542 -2.190 1.00 0.00 C ATOM 1134 CG LYS A 424 -5.846 7.443 -1.105 1.00 0.00 C ATOM 1135 CD LYS A 424 -6.778 8.607 -0.808 1.00 0.00 C ATOM 1136 CE LYS A 424 -6.652 9.703 -1.854 1.00 0.00 C ATOM 1137 NZ LYS A 424 -5.560 10.661 -1.526 1.00 0.00 N ATOM 0 H LYS A 424 -3.995 6.727 -2.657 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.510 4.680 -1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -6.528 7.121 -3.106 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -7.403 6.207 -1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -5.685 6.863 -0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -4.873 7.824 -1.416 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -7.808 8.251 -0.775 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -6.550 9.015 0.177 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -6.461 9.254 -2.829 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -7.596 10.242 -1.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -5.266 11.161 -2.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -5.902 11.350 -0.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -4.749 10.142 -1.133 1.00 0.00 H new ATOM 1151 N ALA A 425 -5.796 4.921 -4.862 1.00 0.00 N ATOM 1152 CA ALA A 425 -6.295 4.242 -6.051 1.00 0.00 C ATOM 1153 C ALA A 425 -5.601 2.898 -6.248 1.00 0.00 C ATOM 1154 O ALA A 425 -6.211 1.937 -6.714 1.00 0.00 O ATOM 1155 CB ALA A 425 -6.105 5.121 -7.279 1.00 0.00 C ATOM 0 H ALA A 425 -5.180 5.711 -5.054 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.360 4.055 -5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -6.482 4.602 -8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -6.652 6.055 -7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -5.045 5.337 -7.411 1.00 0.00 H new ATOM 1161 N ALA A 426 -4.322 2.840 -5.892 1.00 0.00 N ATOM 1162 CA ALA A 426 -3.545 1.614 -6.028 1.00 0.00 C ATOM 1163 C ALA A 426 -4.012 0.556 -5.033 1.00 0.00 C ATOM 1164 O ALA A 426 -3.934 -0.642 -5.304 1.00 0.00 O ATOM 1165 CB ALA A 426 -2.064 1.903 -5.839 1.00 0.00 C ATOM 0 H ALA A 426 -3.802 3.628 -5.507 1.00 0.00 H new ATOM 0 HA ALA A 426 -3.701 1.224 -7.034 1.00 0.00 H new ATOM 0 HB1 ALA A 426 -1.497 0.978 -5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 426 -1.734 2.618 -6.592 1.00 0.00 H new ATOM 0 HB3 ALA A 426 -1.899 2.320 -4.846 1.00 0.00 H new ATOM 1171 N VAL A 427 -4.496 1.007 -3.881 1.00 0.00 N ATOM 1172 CA VAL A 427 -4.975 0.098 -2.846 1.00 0.00 C ATOM 1173 C VAL A 427 -6.102 -0.785 -3.368 1.00 0.00 C ATOM 1174 O VAL A 427 -5.973 -2.009 -3.414 1.00 0.00 O ATOM 1175 CB VAL A 427 -5.474 0.869 -1.609 1.00 0.00 C ATOM 1176 CG1 VAL A 427 -6.027 -0.090 -0.568 1.00 0.00 C ATOM 1177 CG2 VAL A 427 -4.355 1.718 -1.023 1.00 0.00 C ATOM 0 H VAL A 427 -4.567 1.996 -3.640 1.00 0.00 H new ATOM 0 HA VAL A 427 -4.130 -0.528 -2.559 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.280 1.534 -1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -6.374 0.474 0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -6.860 -0.649 -0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -5.244 -0.783 -0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.725 2.256 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.526 1.074 -0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -4.011 2.433 -1.770 1.00 0.00 H new ATOM 1187 N GLU A 428 -7.205 -0.158 -3.761 1.00 0.00 N ATOM 1188 CA GLU A 428 -8.355 -0.889 -4.281 1.00 0.00 C ATOM 1189 C GLU A 428 -8.027 -1.535 -5.624 1.00 0.00 C ATOM 1190 O GLU A 428 -8.800 -2.341 -6.143 1.00 0.00 O ATOM 1191 CB GLU A 428 -9.556 0.046 -4.433 1.00 0.00 C ATOM 1192 CG GLU A 428 -10.027 0.651 -3.120 1.00 0.00 C ATOM 1193 CD GLU A 428 -11.061 -0.209 -2.420 1.00 0.00 C ATOM 1194 OE1 GLU A 428 -11.896 -0.822 -3.119 1.00 0.00 O ATOM 1195 OE2 GLU A 428 -11.036 -0.270 -1.173 1.00 0.00 O ATOM 0 H GLU A 428 -7.327 0.854 -3.730 1.00 0.00 H new ATOM 0 HA GLU A 428 -8.604 -1.676 -3.569 1.00 0.00 H new ATOM 0 HB2 GLU A 428 -9.295 0.850 -5.121 1.00 0.00 H new ATOM 0 HB3 GLU A 428 -10.380 -0.505 -4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 428 -9.170 0.792 -2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 428 -10.449 1.638 -3.310 1.00 0.00 H new ATOM 1202 N TRP A 429 -6.876 -1.177 -6.181 1.00 0.00 N ATOM 1203 CA TRP A 429 -6.445 -1.722 -7.463 1.00 0.00 C ATOM 1204 C TRP A 429 -5.788 -3.085 -7.283 1.00 0.00 C ATOM 1205 O TRP A 429 -6.185 -4.065 -7.914 1.00 0.00 O ATOM 1206 CB TRP A 429 -5.473 -0.760 -8.148 1.00 0.00 C ATOM 1207 CG TRP A 429 -4.789 -1.355 -9.341 1.00 0.00 C ATOM 1208 CD1 TRP A 429 -4.002 -2.471 -9.362 1.00 0.00 C ATOM 1209 CD2 TRP A 429 -4.829 -0.866 -10.686 1.00 0.00 C ATOM 1210 NE1 TRP A 429 -3.550 -2.705 -10.638 1.00 0.00 N ATOM 1211 CE2 TRP A 429 -4.045 -1.735 -11.470 1.00 0.00 C ATOM 1212 CE3 TRP A 429 -5.453 0.220 -11.305 1.00 0.00 C ATOM 1213 CZ2 TRP A 429 -3.869 -1.549 -12.838 1.00 0.00 C ATOM 1214 CZ3 TRP A 429 -5.277 0.404 -12.663 1.00 0.00 C ATOM 1215 CH2 TRP A 429 -4.491 -0.477 -13.417 1.00 0.00 C ATOM 0 H TRP A 429 -6.224 -0.512 -5.765 1.00 0.00 H new ATOM 0 HA TRP A 429 -7.327 -1.846 -8.091 1.00 0.00 H new ATOM 0 HB2 TRP A 429 -6.015 0.134 -8.457 1.00 0.00 H new ATOM 0 HB3 TRP A 429 -4.720 -0.442 -7.427 1.00 0.00 H new ATOM 0 HD1 TRP A 429 -3.769 -3.080 -8.501 1.00 0.00 H new ATOM 0 HE1 TRP A 429 -2.944 -3.476 -10.920 1.00 0.00 H new ATOM 0 HE3 TRP A 429 -6.062 0.904 -10.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 429 -3.263 -2.227 -13.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 429 -5.753 1.241 -13.151 1.00 0.00 H new ATOM 0 HH2 TRP A 429 -4.374 -0.306 -14.477 1.00 0.00 H new ATOM 1226 N PHE A 430 -4.781 -3.141 -6.418 1.00 0.00 N ATOM 1227 CA PHE A 430 -4.068 -4.387 -6.155 1.00 0.00 C ATOM 1228 C PHE A 430 -4.733 -5.166 -5.025 1.00 0.00 C ATOM 1229 O PHE A 430 -4.548 -6.377 -4.898 1.00 0.00 O ATOM 1230 CB PHE A 430 -2.608 -4.098 -5.800 1.00 0.00 C ATOM 1231 CG PHE A 430 -1.858 -3.378 -6.884 1.00 0.00 C ATOM 1232 CD1 PHE A 430 -1.386 -4.064 -7.991 1.00 0.00 C ATOM 1233 CD2 PHE A 430 -1.624 -2.015 -6.795 1.00 0.00 C ATOM 1234 CE1 PHE A 430 -0.696 -3.405 -8.990 1.00 0.00 C ATOM 1235 CE2 PHE A 430 -0.935 -1.350 -7.792 1.00 0.00 C ATOM 1236 CZ PHE A 430 -0.469 -2.046 -8.891 1.00 0.00 C ATOM 0 H PHE A 430 -4.440 -2.339 -5.887 1.00 0.00 H new ATOM 0 HA PHE A 430 -4.102 -4.994 -7.060 1.00 0.00 H new ATOM 0 HB2 PHE A 430 -2.576 -3.501 -4.889 1.00 0.00 H new ATOM 0 HB3 PHE A 430 -2.102 -5.039 -5.583 1.00 0.00 H new ATOM 0 HD1 PHE A 430 -1.560 -5.127 -8.074 1.00 0.00 H new ATOM 0 HD2 PHE A 430 -1.984 -1.466 -5.937 1.00 0.00 H new ATOM 0 HE1 PHE A 430 -0.334 -3.952 -9.848 1.00 0.00 H new ATOM 0 HE2 PHE A 430 -0.761 -0.287 -7.712 1.00 0.00 H new ATOM 0 HZ PHE A 430 0.071 -1.529 -9.670 1.00 0.00 H new ATOM 1246 N ASP A 431 -5.509 -4.464 -4.207 1.00 0.00 N ATOM 1247 CA ASP A 431 -6.204 -5.089 -3.087 1.00 0.00 C ATOM 1248 C ASP A 431 -6.956 -6.336 -3.543 1.00 0.00 C ATOM 1249 O ASP A 431 -8.091 -6.251 -4.012 1.00 0.00 O ATOM 1250 CB ASP A 431 -7.174 -4.099 -2.444 1.00 0.00 C ATOM 1251 CG ASP A 431 -8.305 -4.790 -1.706 1.00 0.00 C ATOM 1252 OD1 ASP A 431 -8.018 -5.704 -0.906 1.00 0.00 O ATOM 1253 OD2 ASP A 431 -9.474 -4.416 -1.930 1.00 0.00 O ATOM 0 H ASP A 431 -5.673 -3.461 -4.298 1.00 0.00 H new ATOM 0 HA ASP A 431 -5.459 -5.385 -2.348 1.00 0.00 H new ATOM 0 HB2 ASP A 431 -6.629 -3.460 -1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 431 -7.590 -3.450 -3.215 1.00 0.00 H new ATOM 1258 N GLY A 432 -6.318 -7.493 -3.401 1.00 0.00 N ATOM 1259 CA GLY A 432 -6.941 -8.740 -3.804 1.00 0.00 C ATOM 1260 C GLY A 432 -6.367 -9.285 -5.097 1.00 0.00 C ATOM 1261 O GLY A 432 -6.999 -10.098 -5.771 1.00 0.00 O ATOM 0 H GLY A 432 -5.379 -7.589 -3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 432 -6.812 -9.479 -3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 432 -8.013 -8.585 -3.923 1.00 0.00 H new ATOM 1265 N LYS A 433 -5.167 -8.835 -5.444 1.00 0.00 N ATOM 1266 CA LYS A 433 -4.506 -9.282 -6.666 1.00 0.00 C ATOM 1267 C LYS A 433 -3.894 -10.666 -6.477 1.00 0.00 C ATOM 1268 O LYS A 433 -3.687 -11.116 -5.350 1.00 0.00 O ATOM 1269 CB LYS A 433 -3.421 -8.285 -7.076 1.00 0.00 C ATOM 1270 CG LYS A 433 -3.920 -7.190 -8.004 1.00 0.00 C ATOM 1271 CD LYS A 433 -4.213 -7.729 -9.394 1.00 0.00 C ATOM 1272 CE LYS A 433 -5.129 -6.794 -10.171 1.00 0.00 C ATOM 1273 NZ LYS A 433 -6.564 -7.029 -9.848 1.00 0.00 N ATOM 0 H LYS A 433 -4.631 -8.161 -4.897 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.255 -9.340 -7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -3.003 -7.827 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -2.611 -8.824 -7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -4.823 -6.743 -7.588 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -3.173 -6.399 -8.069 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -3.278 -7.861 -9.939 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -4.677 -8.712 -9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -4.870 -5.760 -9.943 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -4.970 -6.935 -11.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -7.155 -6.373 -10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -6.818 -8.008 -10.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -6.722 -6.870 -8.832 1.00 0.00 H new ATOM 1287 N ASP A 434 -3.607 -11.337 -7.588 1.00 0.00 N ATOM 1288 CA ASP A 434 -3.017 -12.670 -7.546 1.00 0.00 C ATOM 1289 C ASP A 434 -1.549 -12.627 -7.960 1.00 0.00 C ATOM 1290 O ASP A 434 -1.230 -12.462 -9.137 1.00 0.00 O ATOM 1291 CB ASP A 434 -3.790 -13.622 -8.459 1.00 0.00 C ATOM 1292 CG ASP A 434 -3.558 -13.332 -9.929 1.00 0.00 C ATOM 1293 OD1 ASP A 434 -3.657 -12.151 -10.323 1.00 0.00 O ATOM 1294 OD2 ASP A 434 -3.276 -14.286 -10.683 1.00 0.00 O ATOM 0 H ASP A 434 -3.774 -10.979 -8.529 1.00 0.00 H new ATOM 0 HA ASP A 434 -3.076 -13.035 -6.521 1.00 0.00 H new ATOM 0 HB2 ASP A 434 -3.493 -14.648 -8.243 1.00 0.00 H new ATOM 0 HB3 ASP A 434 -4.855 -13.545 -8.240 1.00 0.00 H new ATOM 1299 N PHE A 435 -0.660 -12.776 -6.984 1.00 0.00 N ATOM 1300 CA PHE A 435 0.774 -12.752 -7.246 1.00 0.00 C ATOM 1301 C PHE A 435 1.371 -14.151 -7.128 1.00 0.00 C ATOM 1302 O PHE A 435 1.463 -14.707 -6.033 1.00 0.00 O ATOM 1303 CB PHE A 435 1.476 -11.802 -6.275 1.00 0.00 C ATOM 1304 CG PHE A 435 2.710 -11.164 -6.847 1.00 0.00 C ATOM 1305 CD1 PHE A 435 2.610 -10.142 -7.777 1.00 0.00 C ATOM 1306 CD2 PHE A 435 3.970 -11.586 -6.454 1.00 0.00 C ATOM 1307 CE1 PHE A 435 3.743 -9.554 -8.306 1.00 0.00 C ATOM 1308 CE2 PHE A 435 5.108 -11.001 -6.978 1.00 0.00 C ATOM 1309 CZ PHE A 435 4.994 -9.984 -7.905 1.00 0.00 C ATOM 0 H PHE A 435 -0.907 -12.915 -6.004 1.00 0.00 H new ATOM 0 HA PHE A 435 0.926 -12.395 -8.265 1.00 0.00 H new ATOM 0 HB2 PHE A 435 0.778 -11.020 -5.976 1.00 0.00 H new ATOM 0 HB3 PHE A 435 1.745 -12.351 -5.373 1.00 0.00 H new ATOM 0 HD1 PHE A 435 1.635 -9.801 -8.092 1.00 0.00 H new ATOM 0 HD2 PHE A 435 4.064 -12.381 -5.730 1.00 0.00 H new ATOM 0 HE1 PHE A 435 3.651 -8.760 -9.032 1.00 0.00 H new ATOM 0 HE2 PHE A 435 6.084 -11.339 -6.663 1.00 0.00 H new ATOM 0 HZ PHE A 435 5.881 -9.525 -8.316 1.00 0.00 H new ATOM 1319 N GLN A 436 1.775 -14.714 -8.262 1.00 0.00 N ATOM 1320 CA GLN A 436 2.363 -16.048 -8.286 1.00 0.00 C ATOM 1321 C GLN A 436 1.400 -17.078 -7.703 1.00 0.00 C ATOM 1322 O GLN A 436 1.817 -18.031 -7.048 1.00 0.00 O ATOM 1323 CB GLN A 436 3.678 -16.064 -7.506 1.00 0.00 C ATOM 1324 CG GLN A 436 4.735 -15.132 -8.076 1.00 0.00 C ATOM 1325 CD GLN A 436 6.126 -15.443 -7.561 1.00 0.00 C ATOM 1326 OE1 GLN A 436 6.398 -16.554 -7.106 1.00 0.00 O ATOM 1327 NE2 GLN A 436 7.016 -14.460 -7.631 1.00 0.00 N ATOM 0 H GLN A 436 1.706 -14.267 -9.176 1.00 0.00 H new ATOM 0 HA GLN A 436 2.562 -16.310 -9.325 1.00 0.00 H new ATOM 0 HB2 GLN A 436 3.480 -15.786 -6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 436 4.071 -17.081 -7.493 1.00 0.00 H new ATOM 0 HG2 GLN A 436 4.730 -15.205 -9.164 1.00 0.00 H new ATOM 0 HG3 GLN A 436 4.480 -14.103 -7.824 1.00 0.00 H new ATOM 0 HE21 GLN A 436 6.747 -13.555 -8.016 1.00 0.00 H new ATOM 0 HE22 GLN A 436 7.969 -14.610 -7.300 1.00 0.00 H new ATOM 1336 N GLY A 437 0.107 -16.877 -7.946 1.00 0.00 N ATOM 1337 CA GLY A 437 -0.894 -17.794 -7.438 1.00 0.00 C ATOM 1338 C GLY A 437 -1.393 -17.404 -6.060 1.00 0.00 C ATOM 1339 O GLY A 437 -2.457 -17.848 -5.628 1.00 0.00 O ATOM 0 H GLY A 437 -0.263 -16.095 -8.486 1.00 0.00 H new ATOM 0 HA2 GLY A 437 -1.736 -17.827 -8.130 1.00 0.00 H new ATOM 0 HA3 GLY A 437 -0.474 -18.799 -7.398 1.00 0.00 H new ATOM 1343 N SER A 438 -0.620 -16.575 -5.366 1.00 0.00 N ATOM 1344 CA SER A 438 -0.986 -16.129 -4.027 1.00 0.00 C ATOM 1345 C SER A 438 -1.807 -14.844 -4.087 1.00 0.00 C ATOM 1346 O SER A 438 -1.842 -14.163 -5.111 1.00 0.00 O ATOM 1347 CB SER A 438 0.268 -15.907 -3.180 1.00 0.00 C ATOM 1348 OG SER A 438 0.748 -17.130 -2.648 1.00 0.00 O ATOM 0 H SER A 438 0.264 -16.199 -5.709 1.00 0.00 H new ATOM 0 HA SER A 438 -1.595 -16.907 -3.566 1.00 0.00 H new ATOM 0 HB2 SER A 438 1.044 -15.442 -3.788 1.00 0.00 H new ATOM 0 HB3 SER A 438 0.044 -15.216 -2.367 1.00 0.00 H new ATOM 0 HG SER A 438 1.551 -16.961 -2.112 1.00 0.00 H new ATOM 1354 N LYS A 439 -2.467 -14.520 -2.981 1.00 0.00 N ATOM 1355 CA LYS A 439 -3.289 -13.317 -2.904 1.00 0.00 C ATOM 1356 C LYS A 439 -2.541 -12.192 -2.195 1.00 0.00 C ATOM 1357 O LYS A 439 -1.834 -12.425 -1.214 1.00 0.00 O ATOM 1358 CB LYS A 439 -4.598 -13.614 -2.170 1.00 0.00 C ATOM 1359 CG LYS A 439 -5.764 -12.762 -2.638 1.00 0.00 C ATOM 1360 CD LYS A 439 -6.528 -13.432 -3.768 1.00 0.00 C ATOM 1361 CE LYS A 439 -5.661 -13.589 -5.009 1.00 0.00 C ATOM 1362 NZ LYS A 439 -6.423 -14.175 -6.146 1.00 0.00 N ATOM 0 H LYS A 439 -2.449 -15.074 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 439 -3.515 -12.996 -3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 439 -4.850 -14.666 -2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 439 -4.450 -13.457 -1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -6.438 -12.576 -1.802 1.00 0.00 H new ATOM 0 HG3 LYS A 439 -5.396 -11.792 -2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 439 -6.879 -14.411 -3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 439 -7.411 -12.842 -4.012 1.00 0.00 H new ATOM 0 HE2 LYS A 439 -5.264 -12.617 -5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 439 -4.807 -14.225 -4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 -5.792 -14.777 -6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 -7.210 -14.747 -5.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 -6.800 -13.411 -6.742 1.00 0.00 H new ATOM 1376 N LEU A 440 -2.701 -10.973 -2.698 1.00 0.00 N ATOM 1377 CA LEU A 440 -2.042 -9.811 -2.112 1.00 0.00 C ATOM 1378 C LEU A 440 -3.048 -8.923 -1.387 1.00 0.00 C ATOM 1379 O LEU A 440 -4.163 -8.709 -1.866 1.00 0.00 O ATOM 1380 CB LEU A 440 -1.323 -9.008 -3.196 1.00 0.00 C ATOM 1381 CG LEU A 440 -0.406 -9.804 -4.125 1.00 0.00 C ATOM 1382 CD1 LEU A 440 0.532 -8.873 -4.878 1.00 0.00 C ATOM 1383 CD2 LEU A 440 0.385 -10.838 -3.336 1.00 0.00 C ATOM 0 H LEU A 440 -3.281 -10.764 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 440 -1.310 -10.166 -1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 440 -2.074 -8.504 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 440 -0.731 -8.231 -2.712 1.00 0.00 H new ATOM 0 HG LEU A 440 -1.025 -10.328 -4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 440 1.176 -9.458 -5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 440 -0.052 -8.172 -5.474 1.00 0.00 H new ATOM 0 HD13 LEU A 440 1.145 -8.320 -4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 440 1.032 -11.395 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 440 0.993 -10.335 -2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 440 -0.304 -11.525 -2.845 1.00 0.00 H new ATOM 1395 N LYS A 441 -2.647 -8.405 -0.231 1.00 0.00 N ATOM 1396 CA LYS A 441 -3.512 -7.536 0.559 1.00 0.00 C ATOM 1397 C LYS A 441 -2.924 -6.132 0.661 1.00 0.00 C ATOM 1398 O LYS A 441 -1.980 -5.896 1.414 1.00 0.00 O ATOM 1399 CB LYS A 441 -3.712 -8.118 1.960 1.00 0.00 C ATOM 1400 CG LYS A 441 -4.911 -9.046 2.067 1.00 0.00 C ATOM 1401 CD LYS A 441 -6.169 -8.287 2.452 1.00 0.00 C ATOM 1402 CE LYS A 441 -6.291 -8.139 3.961 1.00 0.00 C ATOM 1403 NZ LYS A 441 -5.452 -7.024 4.478 1.00 0.00 N ATOM 0 H LYS A 441 -1.728 -8.572 0.180 1.00 0.00 H new ATOM 0 HA LYS A 441 -4.477 -7.472 0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 441 -2.814 -8.663 2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 441 -3.831 -7.300 2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 441 -5.067 -9.552 1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 441 -4.709 -9.819 2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 441 -6.156 -7.301 1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 441 -7.044 -8.810 2.065 1.00 0.00 H new ATOM 0 HE2 LYS A 441 -7.333 -7.962 4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 441 -5.994 -9.071 4.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 441 -5.921 -6.587 5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 441 -4.524 -7.393 4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 441 -5.323 -6.311 3.732 1.00 0.00 H new ATOM 1417 N VAL A 442 -3.491 -5.201 -0.102 1.00 0.00 N ATOM 1418 CA VAL A 442 -3.024 -3.820 -0.095 1.00 0.00 C ATOM 1419 C VAL A 442 -3.910 -2.946 0.786 1.00 0.00 C ATOM 1420 O VAL A 442 -5.137 -2.992 0.692 1.00 0.00 O ATOM 1421 CB VAL A 442 -2.995 -3.232 -1.518 1.00 0.00 C ATOM 1422 CG1 VAL A 442 -2.300 -1.878 -1.522 1.00 0.00 C ATOM 1423 CG2 VAL A 442 -2.311 -4.193 -2.478 1.00 0.00 C ATOM 0 H VAL A 442 -4.273 -5.379 -0.732 1.00 0.00 H new ATOM 0 HA VAL A 442 -2.011 -3.829 0.308 1.00 0.00 H new ATOM 0 HB VAL A 442 -4.022 -3.088 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 442 -2.289 -1.478 -2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 442 -2.836 -1.192 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 442 -1.276 -1.994 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 442 -2.300 -3.761 -3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 442 -1.288 -4.370 -2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 442 -2.855 -5.137 -2.497 1.00 0.00 H new ATOM 1433 N SER A 443 -3.279 -2.149 1.643 1.00 0.00 N ATOM 1434 CA SER A 443 -4.010 -1.266 2.544 1.00 0.00 C ATOM 1435 C SER A 443 -3.181 -0.031 2.884 1.00 0.00 C ATOM 1436 O SER A 443 -2.002 -0.133 3.226 1.00 0.00 O ATOM 1437 CB SER A 443 -4.385 -2.010 3.828 1.00 0.00 C ATOM 1438 OG SER A 443 -3.318 -1.989 4.760 1.00 0.00 O ATOM 0 H SER A 443 -2.264 -2.097 1.732 1.00 0.00 H new ATOM 0 HA SER A 443 -4.921 -0.945 2.039 1.00 0.00 H new ATOM 0 HB2 SER A 443 -5.269 -1.552 4.272 1.00 0.00 H new ATOM 0 HB3 SER A 443 -4.645 -3.042 3.591 1.00 0.00 H new ATOM 0 HG SER A 443 -3.583 -2.469 5.572 1.00 0.00 H new ATOM 1444 N LEU A 444 -3.806 1.138 2.784 1.00 0.00 N ATOM 1445 CA LEU A 444 -3.128 2.396 3.079 1.00 0.00 C ATOM 1446 C LEU A 444 -2.395 2.318 4.414 1.00 0.00 C ATOM 1447 O LEU A 444 -3.013 2.362 5.477 1.00 0.00 O ATOM 1448 CB LEU A 444 -4.134 3.546 3.104 1.00 0.00 C ATOM 1449 CG LEU A 444 -4.423 4.215 1.759 1.00 0.00 C ATOM 1450 CD1 LEU A 444 -5.380 5.382 1.937 1.00 0.00 C ATOM 1451 CD2 LEU A 444 -3.129 4.679 1.107 1.00 0.00 C ATOM 0 H LEU A 444 -4.781 1.241 2.501 1.00 0.00 H new ATOM 0 HA LEU A 444 -2.396 2.579 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 444 -5.074 3.171 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 444 -3.769 4.306 3.794 1.00 0.00 H new ATOM 0 HG LEU A 444 -4.895 3.482 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 444 -5.573 5.845 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 444 -6.318 5.022 2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 444 -4.937 6.117 2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 444 -3.353 5.153 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 444 -2.630 5.396 1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 444 -2.476 3.822 0.943 1.00 0.00 H new