USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 488 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 172 SER OG : rot 180:sc= -0.0224 USER MOD Set 1.2: A 226 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 162 SER OG : rot -99:sc= 1.31 USER MOD Single : A 167 ASN : amide:sc= 0.126 K(o=0.13,f=-3.4!) USER MOD Single : A 169 THR OG1 : rot 123:sc= 0.947 USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 173 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 73:sc= 1.12 USER MOD Single : A 182 SER OG : rot -35:sc= 0.706 USER MOD Single : A 183 GLN : amide:sc= 1.02 K(o=1,f=-0.087) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 MET CE :methyl -149:sc= 0 (180deg=-0.000736) USER MOD Single : A 204 THR OG1 : rot -103:sc= 0.981 USER MOD Single : A 208 THR OG1 : rot 180:sc= 0 USER MOD Single : A 209 ASN : amide:sc= 1.2 K(o=1.2,f=-8.3!) USER MOD Single : A 210 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 219 GLN : amide:sc= -0.0164 X(o=-0.016,f=-0.34) USER MOD Single : A 220 TYR OH : rot 30:sc= 0 USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 313 N SER A 162 52.431 19.587 8.774 1.00 0.00 N ATOM 314 CA SER A 162 52.997 18.605 9.707 1.00 0.00 C ATOM 315 C SER A 162 52.063 17.377 9.755 1.00 0.00 C ATOM 316 O SER A 162 50.871 17.501 9.470 1.00 0.00 O ATOM 317 CB SER A 162 53.148 19.201 11.124 1.00 0.00 C ATOM 318 OG SER A 162 53.596 20.551 11.124 1.00 0.00 O ATOM 0 HA SER A 162 53.989 18.317 9.359 1.00 0.00 H new ATOM 0 HB2 SER A 162 52.189 19.144 11.638 1.00 0.00 H new ATOM 0 HB3 SER A 162 53.851 18.593 11.693 1.00 0.00 H new ATOM 0 HG SER A 162 54.561 20.576 11.295 1.00 0.00 H new ATOM 324 N ILE A 163 52.579 16.199 10.114 1.00 0.00 N ATOM 325 CA ILE A 163 51.830 14.936 10.245 1.00 0.00 C ATOM 326 C ILE A 163 52.310 14.173 11.491 1.00 0.00 C ATOM 327 O ILE A 163 53.489 14.269 11.849 1.00 0.00 O ATOM 328 CB ILE A 163 51.942 14.056 8.966 1.00 0.00 C ATOM 329 CG1 ILE A 163 53.358 13.486 8.721 1.00 0.00 C ATOM 330 CG2 ILE A 163 51.479 14.795 7.693 1.00 0.00 C ATOM 331 CD1 ILE A 163 53.356 12.162 7.953 1.00 0.00 C ATOM 0 H ILE A 163 53.570 16.089 10.331 1.00 0.00 H new ATOM 0 HA ILE A 163 50.774 15.178 10.364 1.00 0.00 H new ATOM 0 HB ILE A 163 51.270 13.221 9.166 1.00 0.00 H new ATOM 0 HG12 ILE A 163 53.945 14.218 8.167 1.00 0.00 H new ATOM 0 HG13 ILE A 163 53.854 13.340 9.681 1.00 0.00 H new ATOM 0 HG21 ILE A 163 51.579 14.134 6.832 1.00 0.00 H new ATOM 0 HG22 ILE A 163 50.436 15.092 7.804 1.00 0.00 H new ATOM 0 HG23 ILE A 163 52.095 15.682 7.543 1.00 0.00 H new ATOM 0 HD11 ILE A 163 54.382 11.819 7.816 1.00 0.00 H new ATOM 0 HD12 ILE A 163 52.796 11.416 8.516 1.00 0.00 H new ATOM 0 HD13 ILE A 163 52.889 12.307 6.979 1.00 0.00 H new ATOM 343 N PHE A 164 51.431 13.377 12.106 1.00 0.00 N ATOM 344 CA PHE A 164 51.708 12.577 13.308 1.00 0.00 C ATOM 345 C PHE A 164 51.435 11.079 13.079 1.00 0.00 C ATOM 346 O PHE A 164 50.486 10.708 12.393 1.00 0.00 O ATOM 347 CB PHE A 164 50.868 13.114 14.480 1.00 0.00 C ATOM 348 CG PHE A 164 51.511 14.272 15.223 1.00 0.00 C ATOM 349 CD1 PHE A 164 51.413 15.585 14.725 1.00 0.00 C ATOM 350 CD2 PHE A 164 52.201 14.030 16.427 1.00 0.00 C ATOM 351 CE1 PHE A 164 52.003 16.650 15.431 1.00 0.00 C ATOM 352 CE2 PHE A 164 52.780 15.095 17.137 1.00 0.00 C ATOM 353 CZ PHE A 164 52.683 16.407 16.637 1.00 0.00 C ATOM 0 H PHE A 164 50.474 13.266 11.772 1.00 0.00 H new ATOM 0 HA PHE A 164 52.768 12.670 13.546 1.00 0.00 H new ATOM 0 HB2 PHE A 164 49.897 13.433 14.101 1.00 0.00 H new ATOM 0 HB3 PHE A 164 50.684 12.302 15.183 1.00 0.00 H new ATOM 0 HD1 PHE A 164 50.885 15.775 13.802 1.00 0.00 H new ATOM 0 HD2 PHE A 164 52.285 13.022 16.806 1.00 0.00 H new ATOM 0 HE1 PHE A 164 51.933 17.656 15.045 1.00 0.00 H new ATOM 0 HE2 PHE A 164 53.299 14.907 18.065 1.00 0.00 H new ATOM 0 HZ PHE A 164 53.131 17.227 17.180 1.00 0.00 H new ATOM 363 N VAL A 165 52.263 10.224 13.686 1.00 0.00 N ATOM 364 CA VAL A 165 52.267 8.759 13.533 1.00 0.00 C ATOM 365 C VAL A 165 52.125 8.131 14.927 1.00 0.00 C ATOM 366 O VAL A 165 52.984 8.340 15.781 1.00 0.00 O ATOM 367 CB VAL A 165 53.567 8.257 12.842 1.00 0.00 C ATOM 368 CG1 VAL A 165 53.384 6.816 12.346 1.00 0.00 C ATOM 369 CG2 VAL A 165 54.045 9.128 11.665 1.00 0.00 C ATOM 0 H VAL A 165 52.986 10.546 14.330 1.00 0.00 H new ATOM 0 HA VAL A 165 51.434 8.463 12.895 1.00 0.00 H new ATOM 0 HB VAL A 165 54.338 8.317 13.611 1.00 0.00 H new ATOM 0 HG11 VAL A 165 54.302 6.478 11.865 1.00 0.00 H new ATOM 0 HG12 VAL A 165 53.157 6.166 13.191 1.00 0.00 H new ATOM 0 HG13 VAL A 165 52.563 6.779 11.629 1.00 0.00 H new ATOM 0 HG21 VAL A 165 54.956 8.703 11.244 1.00 0.00 H new ATOM 0 HG22 VAL A 165 53.271 9.159 10.898 1.00 0.00 H new ATOM 0 HG23 VAL A 165 54.246 10.139 12.019 1.00 0.00 H new ATOM 379 N GLY A 166 51.037 7.396 15.178 1.00 0.00 N ATOM 380 CA GLY A 166 50.668 6.920 16.524 1.00 0.00 C ATOM 381 C GLY A 166 51.450 5.689 16.997 1.00 0.00 C ATOM 382 O GLY A 166 51.629 5.498 18.198 1.00 0.00 O ATOM 0 H GLY A 166 50.381 7.110 14.451 1.00 0.00 H new ATOM 0 HA2 GLY A 166 50.822 7.730 17.237 1.00 0.00 H new ATOM 0 HA3 GLY A 166 49.604 6.685 16.534 1.00 0.00 H new ATOM 386 N ASN A 167 51.948 4.887 16.055 1.00 0.00 N ATOM 387 CA ASN A 167 52.796 3.704 16.265 1.00 0.00 C ATOM 388 C ASN A 167 53.493 3.358 14.936 1.00 0.00 C ATOM 389 O ASN A 167 52.953 3.681 13.881 1.00 0.00 O ATOM 390 CB ASN A 167 51.940 2.534 16.797 1.00 0.00 C ATOM 391 CG ASN A 167 52.746 1.304 17.223 1.00 0.00 C ATOM 392 OD1 ASN A 167 53.969 1.316 17.307 1.00 0.00 O ATOM 393 ND2 ASN A 167 52.077 0.198 17.494 1.00 0.00 N ATOM 0 H ASN A 167 51.762 5.052 15.066 1.00 0.00 H new ATOM 0 HA ASN A 167 53.563 3.905 17.013 1.00 0.00 H new ATOM 0 HB2 ASN A 167 51.357 2.884 17.649 1.00 0.00 H new ATOM 0 HB3 ASN A 167 51.230 2.239 16.025 1.00 0.00 H new ATOM 0 HD21 ASN A 167 52.578 -0.646 17.773 1.00 0.00 H new ATOM 0 HD22 ASN A 167 51.059 0.187 17.424 1.00 0.00 H new ATOM 400 N LEU A 168 54.687 2.753 14.982 1.00 0.00 N ATOM 401 CA LEU A 168 55.585 2.508 13.830 1.00 0.00 C ATOM 402 C LEU A 168 56.836 1.636 14.147 1.00 0.00 C ATOM 403 O LEU A 168 57.746 1.588 13.319 1.00 0.00 O ATOM 404 CB LEU A 168 55.985 3.878 13.204 1.00 0.00 C ATOM 405 CG LEU A 168 56.449 5.003 14.161 1.00 0.00 C ATOM 406 CD1 LEU A 168 57.504 4.564 15.179 1.00 0.00 C ATOM 407 CD2 LEU A 168 57.041 6.158 13.347 1.00 0.00 C ATOM 0 H LEU A 168 55.077 2.403 15.857 1.00 0.00 H new ATOM 0 HA LEU A 168 55.024 1.909 13.113 1.00 0.00 H new ATOM 0 HB2 LEU A 168 56.786 3.697 12.487 1.00 0.00 H new ATOM 0 HB3 LEU A 168 55.130 4.250 12.640 1.00 0.00 H new ATOM 0 HG LEU A 168 55.559 5.301 14.716 1.00 0.00 H new ATOM 0 HD11 LEU A 168 57.775 5.410 15.810 1.00 0.00 H new ATOM 0 HD12 LEU A 168 57.101 3.763 15.799 1.00 0.00 H new ATOM 0 HD13 LEU A 168 58.389 4.206 14.654 1.00 0.00 H new ATOM 0 HD21 LEU A 168 57.367 6.949 14.022 1.00 0.00 H new ATOM 0 HD22 LEU A 168 57.894 5.798 12.771 1.00 0.00 H new ATOM 0 HD23 LEU A 168 56.284 6.550 12.668 1.00 0.00 H new ATOM 419 N THR A 169 56.884 0.998 15.335 1.00 0.00 N ATOM 420 CA THR A 169 58.050 0.359 16.002 1.00 0.00 C ATOM 421 C THR A 169 58.807 1.408 16.816 1.00 0.00 C ATOM 422 O THR A 169 59.448 2.291 16.258 1.00 0.00 O ATOM 423 CB THR A 169 59.015 -0.376 15.046 1.00 0.00 C ATOM 424 OG1 THR A 169 58.300 -1.300 14.265 1.00 0.00 O ATOM 425 CG2 THR A 169 60.076 -1.168 15.813 1.00 0.00 C ATOM 0 H THR A 169 56.042 0.906 15.903 1.00 0.00 H new ATOM 0 HA THR A 169 57.642 -0.417 16.650 1.00 0.00 H new ATOM 0 HB THR A 169 59.494 0.386 14.431 1.00 0.00 H new ATOM 0 HG1 THR A 169 58.437 -1.101 13.315 1.00 0.00 H new ATOM 0 HG21 THR A 169 60.736 -1.671 15.106 1.00 0.00 H new ATOM 0 HG22 THR A 169 60.660 -0.488 16.434 1.00 0.00 H new ATOM 0 HG23 THR A 169 59.589 -1.910 16.446 1.00 0.00 H new ATOM 433 N TYR A 170 58.772 1.304 18.147 1.00 0.00 N ATOM 434 CA TYR A 170 59.382 2.296 19.056 1.00 0.00 C ATOM 435 C TYR A 170 60.917 2.436 18.922 1.00 0.00 C ATOM 436 O TYR A 170 61.486 3.442 19.348 1.00 0.00 O ATOM 437 CB TYR A 170 58.979 1.970 20.504 1.00 0.00 C ATOM 438 CG TYR A 170 59.468 0.622 21.007 1.00 0.00 C ATOM 439 CD1 TYR A 170 60.777 0.485 21.511 1.00 0.00 C ATOM 440 CD2 TYR A 170 58.625 -0.506 20.942 1.00 0.00 C ATOM 441 CE1 TYR A 170 61.253 -0.775 21.919 1.00 0.00 C ATOM 442 CE2 TYR A 170 59.095 -1.770 21.350 1.00 0.00 C ATOM 443 CZ TYR A 170 60.416 -1.910 21.832 1.00 0.00 C ATOM 444 OH TYR A 170 60.883 -3.129 22.220 1.00 0.00 O ATOM 0 H TYR A 170 58.320 0.529 18.633 1.00 0.00 H new ATOM 0 HA TYR A 170 58.992 3.270 18.762 1.00 0.00 H new ATOM 0 HB2 TYR A 170 59.366 2.750 21.160 1.00 0.00 H new ATOM 0 HB3 TYR A 170 57.892 1.999 20.580 1.00 0.00 H new ATOM 0 HD1 TYR A 170 61.418 1.351 21.584 1.00 0.00 H new ATOM 0 HD2 TYR A 170 57.614 -0.401 20.578 1.00 0.00 H new ATOM 0 HE1 TYR A 170 62.259 -0.874 22.299 1.00 0.00 H new ATOM 0 HE2 TYR A 170 58.446 -2.631 21.294 1.00 0.00 H new ATOM 0 HH TYR A 170 60.181 -3.802 22.097 1.00 0.00 H new ATOM 454 N ASP A 171 61.580 1.451 18.303 1.00 0.00 N ATOM 455 CA ASP A 171 63.013 1.459 17.967 1.00 0.00 C ATOM 456 C ASP A 171 63.334 2.197 16.641 1.00 0.00 C ATOM 457 O ASP A 171 64.496 2.298 16.244 1.00 0.00 O ATOM 458 CB ASP A 171 63.511 0.002 17.950 1.00 0.00 C ATOM 459 CG ASP A 171 65.046 -0.115 17.923 1.00 0.00 C ATOM 460 OD1 ASP A 171 65.710 0.442 18.830 1.00 0.00 O ATOM 461 OD2 ASP A 171 65.581 -0.810 17.026 1.00 0.00 O ATOM 0 H ASP A 171 61.116 0.591 18.010 1.00 0.00 H new ATOM 0 HA ASP A 171 63.543 2.029 18.730 1.00 0.00 H new ATOM 0 HB2 ASP A 171 63.129 -0.516 18.830 1.00 0.00 H new ATOM 0 HB3 ASP A 171 63.099 -0.506 17.078 1.00 0.00 H new ATOM 466 N SER A 172 62.324 2.731 15.947 1.00 0.00 N ATOM 467 CA SER A 172 62.493 3.536 14.727 1.00 0.00 C ATOM 468 C SER A 172 63.173 4.904 14.971 1.00 0.00 C ATOM 469 O SER A 172 63.318 5.367 16.112 1.00 0.00 O ATOM 470 CB SER A 172 61.135 3.716 14.038 1.00 0.00 C ATOM 471 OG SER A 172 61.287 4.237 12.729 1.00 0.00 O ATOM 0 H SER A 172 61.348 2.616 16.220 1.00 0.00 H new ATOM 0 HA SER A 172 63.172 2.986 14.076 1.00 0.00 H new ATOM 0 HB2 SER A 172 60.618 2.757 13.992 1.00 0.00 H new ATOM 0 HB3 SER A 172 60.511 4.387 14.629 1.00 0.00 H new ATOM 0 HG SER A 172 60.405 4.340 12.313 1.00 0.00 H new ATOM 477 N THR A 173 63.586 5.565 13.877 1.00 0.00 N ATOM 478 CA THR A 173 64.356 6.821 13.864 1.00 0.00 C ATOM 479 C THR A 173 63.779 7.793 12.822 1.00 0.00 C ATOM 480 O THR A 173 63.185 7.348 11.833 1.00 0.00 O ATOM 481 CB THR A 173 65.852 6.559 13.604 1.00 0.00 C ATOM 482 OG1 THR A 173 66.021 6.065 12.297 1.00 0.00 O ATOM 483 CG2 THR A 173 66.471 5.564 14.588 1.00 0.00 C ATOM 0 H THR A 173 63.384 5.224 12.937 1.00 0.00 H new ATOM 0 HA THR A 173 64.270 7.280 14.849 1.00 0.00 H new ATOM 0 HB THR A 173 66.364 7.512 13.738 1.00 0.00 H new ATOM 0 HG1 THR A 173 66.972 5.900 12.130 1.00 0.00 H new ATOM 0 HG21 THR A 173 67.525 5.424 14.349 1.00 0.00 H new ATOM 0 HG22 THR A 173 66.377 5.950 15.603 1.00 0.00 H new ATOM 0 HG23 THR A 173 65.952 4.608 14.513 1.00 0.00 H new ATOM 491 N PRO A 174 63.948 9.118 13.007 1.00 0.00 N ATOM 492 CA PRO A 174 63.425 10.115 12.076 1.00 0.00 C ATOM 493 C PRO A 174 64.169 10.135 10.733 1.00 0.00 C ATOM 494 O PRO A 174 63.582 10.533 9.728 1.00 0.00 O ATOM 495 CB PRO A 174 63.544 11.449 12.812 1.00 0.00 C ATOM 496 CG PRO A 174 64.724 11.244 13.756 1.00 0.00 C ATOM 497 CD PRO A 174 64.580 9.774 14.149 1.00 0.00 C ATOM 0 HA PRO A 174 62.395 9.887 11.803 1.00 0.00 H new ATOM 0 HB2 PRO A 174 63.724 12.272 12.120 1.00 0.00 H new ATOM 0 HB3 PRO A 174 62.631 11.686 13.359 1.00 0.00 H new ATOM 0 HG2 PRO A 174 65.676 11.441 13.264 1.00 0.00 H new ATOM 0 HG3 PRO A 174 64.670 11.903 14.622 1.00 0.00 H new ATOM 0 HD2 PRO A 174 65.551 9.330 14.367 1.00 0.00 H new ATOM 0 HD3 PRO A 174 63.972 9.667 15.047 1.00 0.00 H new ATOM 505 N GLU A 175 65.427 9.676 10.683 1.00 0.00 N ATOM 506 CA GLU A 175 66.166 9.513 9.425 1.00 0.00 C ATOM 507 C GLU A 175 65.591 8.369 8.571 1.00 0.00 C ATOM 508 O GLU A 175 65.494 8.507 7.350 1.00 0.00 O ATOM 509 CB GLU A 175 67.660 9.272 9.700 1.00 0.00 C ATOM 510 CG GLU A 175 68.343 10.487 10.340 1.00 0.00 C ATOM 511 CD GLU A 175 69.844 10.230 10.536 1.00 0.00 C ATOM 512 OE1 GLU A 175 70.239 9.712 11.607 1.00 0.00 O ATOM 513 OE2 GLU A 175 70.643 10.549 9.621 1.00 0.00 O ATOM 0 H GLU A 175 65.959 9.408 11.511 1.00 0.00 H new ATOM 0 HA GLU A 175 66.055 10.439 8.861 1.00 0.00 H new ATOM 0 HB2 GLU A 175 67.771 8.409 10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 175 68.163 9.027 8.765 1.00 0.00 H new ATOM 0 HG2 GLU A 175 68.199 11.364 9.709 1.00 0.00 H new ATOM 0 HG3 GLU A 175 67.879 10.706 11.302 1.00 0.00 H new ATOM 520 N ASP A 176 65.144 7.267 9.189 1.00 0.00 N ATOM 521 CA ASP A 176 64.521 6.154 8.463 1.00 0.00 C ATOM 522 C ASP A 176 63.112 6.524 7.969 1.00 0.00 C ATOM 523 O ASP A 176 62.749 6.179 6.842 1.00 0.00 O ATOM 524 CB ASP A 176 64.511 4.883 9.323 1.00 0.00 C ATOM 525 CG ASP A 176 64.661 3.625 8.450 1.00 0.00 C ATOM 526 OD1 ASP A 176 63.651 3.134 7.896 1.00 0.00 O ATOM 527 OD2 ASP A 176 65.806 3.126 8.325 1.00 0.00 O ATOM 0 H ASP A 176 65.204 7.123 10.197 1.00 0.00 H new ATOM 0 HA ASP A 176 65.122 5.948 7.577 1.00 0.00 H new ATOM 0 HB2 ASP A 176 65.323 4.925 10.049 1.00 0.00 H new ATOM 0 HB3 ASP A 176 63.580 4.829 9.888 1.00 0.00 H new ATOM 532 N LEU A 177 62.360 7.323 8.749 1.00 0.00 N ATOM 533 CA LEU A 177 61.137 7.974 8.265 1.00 0.00 C ATOM 534 C LEU A 177 61.414 8.959 7.124 1.00 0.00 C ATOM 535 O LEU A 177 60.600 9.048 6.208 1.00 0.00 O ATOM 536 CB LEU A 177 60.397 8.715 9.394 1.00 0.00 C ATOM 537 CG LEU A 177 59.653 7.848 10.426 1.00 0.00 C ATOM 538 CD1 LEU A 177 58.818 8.791 11.307 1.00 0.00 C ATOM 539 CD2 LEU A 177 58.728 6.801 9.782 1.00 0.00 C ATOM 0 H LEU A 177 62.583 7.531 9.722 1.00 0.00 H new ATOM 0 HA LEU A 177 60.506 7.169 7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 177 61.121 9.331 9.927 1.00 0.00 H new ATOM 0 HB3 LEU A 177 59.676 9.394 8.939 1.00 0.00 H new ATOM 0 HG LEU A 177 60.393 7.293 11.003 1.00 0.00 H new ATOM 0 HD11 LEU A 177 58.276 8.208 12.052 1.00 0.00 H new ATOM 0 HD12 LEU A 177 59.478 9.499 11.810 1.00 0.00 H new ATOM 0 HD13 LEU A 177 58.108 9.336 10.685 1.00 0.00 H new ATOM 0 HD21 LEU A 177 58.233 6.223 10.563 1.00 0.00 H new ATOM 0 HD22 LEU A 177 57.977 7.304 9.173 1.00 0.00 H new ATOM 0 HD23 LEU A 177 59.317 6.133 9.154 1.00 0.00 H new ATOM 551 N THR A 178 62.543 9.678 7.141 1.00 0.00 N ATOM 552 CA THR A 178 62.904 10.621 6.070 1.00 0.00 C ATOM 553 C THR A 178 63.209 9.866 4.779 1.00 0.00 C ATOM 554 O THR A 178 62.668 10.215 3.730 1.00 0.00 O ATOM 555 CB THR A 178 64.060 11.534 6.498 1.00 0.00 C ATOM 556 OG1 THR A 178 63.635 12.314 7.592 1.00 0.00 O ATOM 557 CG2 THR A 178 64.472 12.483 5.373 1.00 0.00 C ATOM 0 H THR A 178 63.230 9.625 7.893 1.00 0.00 H new ATOM 0 HA THR A 178 62.051 11.271 5.876 1.00 0.00 H new ATOM 0 HB THR A 178 64.912 10.906 6.757 1.00 0.00 H new ATOM 0 HG1 THR A 178 63.572 11.750 8.391 1.00 0.00 H new ATOM 0 HG21 THR A 178 65.293 13.114 5.712 1.00 0.00 H new ATOM 0 HG22 THR A 178 64.793 11.904 4.508 1.00 0.00 H new ATOM 0 HG23 THR A 178 63.624 13.109 5.096 1.00 0.00 H new ATOM 565 N GLU A 179 63.994 8.791 4.868 1.00 0.00 N ATOM 566 CA GLU A 179 64.313 7.891 3.752 1.00 0.00 C ATOM 567 C GLU A 179 63.075 7.165 3.171 1.00 0.00 C ATOM 568 O GLU A 179 63.119 6.654 2.050 1.00 0.00 O ATOM 569 CB GLU A 179 65.388 6.900 4.236 1.00 0.00 C ATOM 570 CG GLU A 179 65.983 6.046 3.111 1.00 0.00 C ATOM 571 CD GLU A 179 67.184 5.229 3.608 1.00 0.00 C ATOM 572 OE1 GLU A 179 68.322 5.758 3.608 1.00 0.00 O ATOM 573 OE2 GLU A 179 67.004 4.045 3.980 1.00 0.00 O ATOM 0 H GLU A 179 64.439 8.512 5.742 1.00 0.00 H new ATOM 0 HA GLU A 179 64.692 8.485 2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 179 66.190 7.455 4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 179 64.953 6.243 4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 179 65.220 5.374 2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 179 66.294 6.690 2.288 1.00 0.00 H new ATOM 580 N PHE A 180 61.954 7.156 3.897 1.00 0.00 N ATOM 581 CA PHE A 180 60.676 6.559 3.509 1.00 0.00 C ATOM 582 C PHE A 180 59.715 7.601 2.904 1.00 0.00 C ATOM 583 O PHE A 180 59.286 7.452 1.758 1.00 0.00 O ATOM 584 CB PHE A 180 60.111 5.878 4.764 1.00 0.00 C ATOM 585 CG PHE A 180 58.711 5.308 4.665 1.00 0.00 C ATOM 586 CD1 PHE A 180 58.492 4.073 4.025 1.00 0.00 C ATOM 587 CD2 PHE A 180 57.645 5.959 5.316 1.00 0.00 C ATOM 588 CE1 PHE A 180 57.227 3.462 4.088 1.00 0.00 C ATOM 589 CE2 PHE A 180 56.376 5.362 5.353 1.00 0.00 C ATOM 590 CZ PHE A 180 56.169 4.107 4.753 1.00 0.00 C ATOM 0 H PHE A 180 61.913 7.588 4.820 1.00 0.00 H new ATOM 0 HA PHE A 180 60.811 5.823 2.716 1.00 0.00 H new ATOM 0 HB2 PHE A 180 60.787 5.070 5.044 1.00 0.00 H new ATOM 0 HB3 PHE A 180 60.125 6.603 5.578 1.00 0.00 H new ATOM 0 HD1 PHE A 180 59.296 3.595 3.485 1.00 0.00 H new ATOM 0 HD2 PHE A 180 57.805 6.918 5.787 1.00 0.00 H new ATOM 0 HE1 PHE A 180 57.068 2.499 3.626 1.00 0.00 H new ATOM 0 HE2 PHE A 180 55.557 5.867 5.843 1.00 0.00 H new ATOM 0 HZ PHE A 180 55.197 3.638 4.803 1.00 0.00 H new ATOM 600 N PHE A 181 59.390 8.664 3.650 1.00 0.00 N ATOM 601 CA PHE A 181 58.412 9.687 3.266 1.00 0.00 C ATOM 602 C PHE A 181 58.855 10.635 2.138 1.00 0.00 C ATOM 603 O PHE A 181 58.020 11.089 1.357 1.00 0.00 O ATOM 604 CB PHE A 181 58.012 10.494 4.518 1.00 0.00 C ATOM 605 CG PHE A 181 56.924 9.878 5.389 1.00 0.00 C ATOM 606 CD1 PHE A 181 55.619 9.730 4.879 1.00 0.00 C ATOM 607 CD2 PHE A 181 57.179 9.532 6.730 1.00 0.00 C ATOM 608 CE1 PHE A 181 54.576 9.273 5.704 1.00 0.00 C ATOM 609 CE2 PHE A 181 56.138 9.060 7.553 1.00 0.00 C ATOM 610 CZ PHE A 181 54.833 8.937 7.041 1.00 0.00 C ATOM 0 H PHE A 181 59.812 8.840 4.562 1.00 0.00 H new ATOM 0 HA PHE A 181 57.562 9.147 2.850 1.00 0.00 H new ATOM 0 HB2 PHE A 181 58.901 10.641 5.131 1.00 0.00 H new ATOM 0 HB3 PHE A 181 57.679 11.481 4.199 1.00 0.00 H new ATOM 0 HD1 PHE A 181 55.418 9.970 3.845 1.00 0.00 H new ATOM 0 HD2 PHE A 181 58.178 9.629 7.129 1.00 0.00 H new ATOM 0 HE1 PHE A 181 53.576 9.181 5.307 1.00 0.00 H new ATOM 0 HE2 PHE A 181 56.342 8.792 8.579 1.00 0.00 H new ATOM 0 HZ PHE A 181 54.033 8.585 7.675 1.00 0.00 H new ATOM 620 N SER A 182 60.142 10.982 2.050 1.00 0.00 N ATOM 621 CA SER A 182 60.574 12.189 1.309 1.00 0.00 C ATOM 622 C SER A 182 60.502 12.082 -0.231 1.00 0.00 C ATOM 623 O SER A 182 60.472 13.107 -0.916 1.00 0.00 O ATOM 624 CB SER A 182 61.972 12.627 1.775 1.00 0.00 C ATOM 625 OG SER A 182 62.222 14.001 1.490 1.00 0.00 O ATOM 0 H SER A 182 60.904 10.454 2.476 1.00 0.00 H new ATOM 0 HA SER A 182 59.842 12.958 1.556 1.00 0.00 H new ATOM 0 HB2 SER A 182 62.067 12.456 2.847 1.00 0.00 H new ATOM 0 HB3 SER A 182 62.727 12.012 1.286 1.00 0.00 H new ATOM 0 HG SER A 182 61.797 14.241 0.640 1.00 0.00 H new ATOM 631 N GLN A 183 60.384 10.868 -0.792 1.00 0.00 N ATOM 632 CA GLN A 183 60.278 10.641 -2.248 1.00 0.00 C ATOM 633 C GLN A 183 59.002 11.235 -2.875 1.00 0.00 C ATOM 634 O GLN A 183 58.940 11.445 -4.087 1.00 0.00 O ATOM 635 CB GLN A 183 60.329 9.135 -2.553 1.00 0.00 C ATOM 636 CG GLN A 183 61.738 8.530 -2.488 1.00 0.00 C ATOM 637 CD GLN A 183 62.284 8.349 -1.071 1.00 0.00 C ATOM 638 OE1 GLN A 183 63.108 9.113 -0.583 1.00 0.00 O ATOM 639 NE2 GLN A 183 61.842 7.339 -0.357 1.00 0.00 N ATOM 0 H GLN A 183 60.359 10.007 -0.246 1.00 0.00 H new ATOM 0 HA GLN A 183 61.127 11.158 -2.694 1.00 0.00 H new ATOM 0 HB2 GLN A 183 59.687 8.610 -1.846 1.00 0.00 H new ATOM 0 HB3 GLN A 183 59.917 8.962 -3.547 1.00 0.00 H new ATOM 0 HG2 GLN A 183 61.727 7.561 -2.986 1.00 0.00 H new ATOM 0 HG3 GLN A 183 62.421 9.169 -3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 183 61.156 6.696 -0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 183 62.185 7.197 0.593 1.00 0.00 H new ATOM 648 N ILE A 184 57.995 11.539 -2.050 1.00 0.00 N ATOM 649 CA ILE A 184 56.758 12.244 -2.443 1.00 0.00 C ATOM 650 C ILE A 184 57.033 13.650 -3.022 1.00 0.00 C ATOM 651 O ILE A 184 56.240 14.156 -3.821 1.00 0.00 O ATOM 652 CB ILE A 184 55.812 12.284 -1.216 1.00 0.00 C ATOM 653 CG1 ILE A 184 55.384 10.863 -0.776 1.00 0.00 C ATOM 654 CG2 ILE A 184 54.574 13.175 -1.417 1.00 0.00 C ATOM 655 CD1 ILE A 184 54.504 10.084 -1.766 1.00 0.00 C ATOM 0 H ILE A 184 58.013 11.297 -1.059 1.00 0.00 H new ATOM 0 HA ILE A 184 56.276 11.699 -3.255 1.00 0.00 H new ATOM 0 HB ILE A 184 56.400 12.739 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 184 56.283 10.278 -0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 184 54.848 10.944 0.169 1.00 0.00 H new ATOM 0 HG21 ILE A 184 53.960 13.153 -0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 184 54.891 14.199 -1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 184 53.993 12.805 -2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 184 54.268 9.104 -1.350 1.00 0.00 H new ATOM 0 HD12 ILE A 184 53.580 10.635 -1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 184 55.039 9.959 -2.708 1.00 0.00 H new ATOM 667 N GLY A 185 58.170 14.265 -2.672 1.00 0.00 N ATOM 668 CA GLY A 185 58.618 15.561 -3.192 1.00 0.00 C ATOM 669 C GLY A 185 59.779 16.117 -2.378 1.00 0.00 C ATOM 670 O GLY A 185 60.923 16.108 -2.835 1.00 0.00 O ATOM 0 H GLY A 185 58.822 13.862 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 185 58.922 15.451 -4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 185 57.788 16.268 -3.175 1.00 0.00 H new ATOM 674 N LYS A 186 59.475 16.565 -1.155 1.00 0.00 N ATOM 675 CA LYS A 186 60.451 17.043 -0.167 1.00 0.00 C ATOM 676 C LYS A 186 59.859 17.019 1.257 1.00 0.00 C ATOM 677 O LYS A 186 58.899 17.734 1.547 1.00 0.00 O ATOM 678 CB LYS A 186 60.929 18.460 -0.566 1.00 0.00 C ATOM 679 CG LYS A 186 62.035 18.995 0.364 1.00 0.00 C ATOM 680 CD LYS A 186 62.568 20.371 -0.066 1.00 0.00 C ATOM 681 CE LYS A 186 63.319 20.306 -1.407 1.00 0.00 C ATOM 682 NZ LYS A 186 63.887 21.628 -1.789 1.00 0.00 N ATOM 0 H LYS A 186 58.515 16.607 -0.814 1.00 0.00 H new ATOM 0 HA LYS A 186 61.312 16.374 -0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 186 61.299 18.439 -1.591 1.00 0.00 H new ATOM 0 HB3 LYS A 186 60.081 19.144 -0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 186 61.646 19.064 1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 186 62.860 18.283 0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 186 61.737 21.071 -0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 186 63.235 20.758 0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 186 64.122 19.572 -1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 186 62.640 19.963 -2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 64.385 21.542 -2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 63.119 22.323 -1.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 64.555 21.944 -1.057 1.00 0.00 H new ATOM 696 N VAL A 187 60.456 16.235 2.157 1.00 0.00 N ATOM 697 CA VAL A 187 60.216 16.319 3.611 1.00 0.00 C ATOM 698 C VAL A 187 61.256 17.268 4.224 1.00 0.00 C ATOM 699 O VAL A 187 62.417 17.242 3.822 1.00 0.00 O ATOM 700 CB VAL A 187 60.195 14.907 4.247 1.00 0.00 C ATOM 701 CG1 VAL A 187 61.460 14.477 4.986 1.00 0.00 C ATOM 702 CG2 VAL A 187 59.050 14.749 5.232 1.00 0.00 C ATOM 0 H VAL A 187 61.129 15.513 1.900 1.00 0.00 H new ATOM 0 HA VAL A 187 59.231 16.737 3.820 1.00 0.00 H new ATOM 0 HB VAL A 187 60.088 14.268 3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 187 61.324 13.472 5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 187 62.304 14.481 4.296 1.00 0.00 H new ATOM 0 HG13 VAL A 187 61.657 15.170 5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 187 59.071 13.745 5.656 1.00 0.00 H new ATOM 0 HG22 VAL A 187 59.154 15.483 6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 187 58.102 14.906 4.717 1.00 0.00 H new ATOM 712 N VAL A 188 60.830 18.132 5.150 1.00 0.00 N ATOM 713 CA VAL A 188 61.666 19.206 5.736 1.00 0.00 C ATOM 714 C VAL A 188 62.045 18.990 7.208 1.00 0.00 C ATOM 715 O VAL A 188 62.995 19.612 7.685 1.00 0.00 O ATOM 716 CB VAL A 188 61.038 20.607 5.554 1.00 0.00 C ATOM 717 CG1 VAL A 188 61.312 21.122 4.133 1.00 0.00 C ATOM 718 CG2 VAL A 188 59.531 20.678 5.853 1.00 0.00 C ATOM 0 H VAL A 188 59.882 18.112 5.525 1.00 0.00 H new ATOM 0 HA VAL A 188 62.593 19.154 5.165 1.00 0.00 H new ATOM 0 HB VAL A 188 61.518 21.244 6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 188 60.867 22.109 4.012 1.00 0.00 H new ATOM 0 HG12 VAL A 188 62.388 21.187 3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 188 60.876 20.436 3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 188 59.177 21.697 5.699 1.00 0.00 H new ATOM 0 HG22 VAL A 188 58.995 20.003 5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 188 59.351 20.384 6.887 1.00 0.00 H new ATOM 728 N ARG A 189 61.348 18.093 7.913 1.00 0.00 N ATOM 729 CA ARG A 189 61.629 17.722 9.311 1.00 0.00 C ATOM 730 C ARG A 189 61.012 16.364 9.678 1.00 0.00 C ATOM 731 O ARG A 189 60.044 15.938 9.050 1.00 0.00 O ATOM 732 CB ARG A 189 61.129 18.836 10.261 1.00 0.00 C ATOM 733 CG ARG A 189 62.273 19.485 11.050 1.00 0.00 C ATOM 734 CD ARG A 189 61.732 20.577 11.980 1.00 0.00 C ATOM 735 NE ARG A 189 62.815 21.244 12.725 1.00 0.00 N ATOM 736 CZ ARG A 189 62.660 22.238 13.593 1.00 0.00 C ATOM 737 NH1 ARG A 189 61.471 22.737 13.871 1.00 0.00 N ATOM 738 NH2 ARG A 189 63.710 22.751 14.199 1.00 0.00 N ATOM 0 H ARG A 189 60.552 17.590 7.521 1.00 0.00 H new ATOM 0 HA ARG A 189 62.708 17.619 9.424 1.00 0.00 H new ATOM 0 HB2 ARG A 189 60.612 19.600 9.681 1.00 0.00 H new ATOM 0 HB3 ARG A 189 60.402 18.418 10.957 1.00 0.00 H new ATOM 0 HG2 ARG A 189 62.795 18.727 11.634 1.00 0.00 H new ATOM 0 HG3 ARG A 189 63.001 19.914 10.361 1.00 0.00 H new ATOM 0 HD2 ARG A 189 61.185 21.316 11.394 1.00 0.00 H new ATOM 0 HD3 ARG A 189 61.023 20.139 12.683 1.00 0.00 H new ATOM 0 HE ARG A 189 63.766 20.914 12.560 1.00 0.00 H new ATOM 0 HH11 ARG A 189 60.640 22.360 13.415 1.00 0.00 H new ATOM 0 HH12 ARG A 189 61.382 23.500 14.542 1.00 0.00 H new ATOM 0 HH21 ARG A 189 64.642 22.385 14.002 1.00 0.00 H new ATOM 0 HH22 ARG A 189 63.592 23.514 14.865 1.00 0.00 H new ATOM 752 N ALA A 190 61.543 15.723 10.721 1.00 0.00 N ATOM 753 CA ALA A 190 61.044 14.475 11.310 1.00 0.00 C ATOM 754 C ALA A 190 61.560 14.278 12.752 1.00 0.00 C ATOM 755 O ALA A 190 62.670 14.699 13.083 1.00 0.00 O ATOM 756 CB ALA A 190 61.426 13.293 10.404 1.00 0.00 C ATOM 0 H ALA A 190 62.371 16.075 11.202 1.00 0.00 H new ATOM 0 HA ALA A 190 59.957 14.529 11.377 1.00 0.00 H new ATOM 0 HB1 ALA A 190 61.056 12.365 10.841 1.00 0.00 H new ATOM 0 HB2 ALA A 190 60.983 13.432 9.418 1.00 0.00 H new ATOM 0 HB3 ALA A 190 62.511 13.242 10.310 1.00 0.00 H new ATOM 762 N ASP A 191 60.760 13.613 13.592 1.00 0.00 N ATOM 763 CA ASP A 191 61.008 13.352 15.018 1.00 0.00 C ATOM 764 C ASP A 191 60.362 12.026 15.475 1.00 0.00 C ATOM 765 O ASP A 191 59.337 11.604 14.942 1.00 0.00 O ATOM 766 CB ASP A 191 60.453 14.510 15.871 1.00 0.00 C ATOM 767 CG ASP A 191 61.278 15.802 15.761 1.00 0.00 C ATOM 768 OD1 ASP A 191 62.371 15.864 16.377 1.00 0.00 O ATOM 769 OD2 ASP A 191 60.807 16.771 15.115 1.00 0.00 O ATOM 0 H ASP A 191 59.872 13.220 13.280 1.00 0.00 H new ATOM 0 HA ASP A 191 62.086 13.272 15.155 1.00 0.00 H new ATOM 0 HB2 ASP A 191 59.427 14.716 15.566 1.00 0.00 H new ATOM 0 HB3 ASP A 191 60.419 14.198 16.915 1.00 0.00 H new ATOM 774 N ILE A 192 60.941 11.395 16.507 1.00 0.00 N ATOM 775 CA ILE A 192 60.391 10.233 17.239 1.00 0.00 C ATOM 776 C ILE A 192 60.535 10.514 18.748 1.00 0.00 C ATOM 777 O ILE A 192 61.628 10.861 19.206 1.00 0.00 O ATOM 778 CB ILE A 192 61.132 8.923 16.856 1.00 0.00 C ATOM 779 CG1 ILE A 192 61.140 8.575 15.347 1.00 0.00 C ATOM 780 CG2 ILE A 192 60.588 7.732 17.671 1.00 0.00 C ATOM 781 CD1 ILE A 192 59.806 8.160 14.714 1.00 0.00 C ATOM 0 H ILE A 192 61.846 11.690 16.874 1.00 0.00 H new ATOM 0 HA ILE A 192 59.343 10.095 16.975 1.00 0.00 H new ATOM 0 HB ILE A 192 62.175 9.117 17.108 1.00 0.00 H new ATOM 0 HG12 ILE A 192 61.517 9.441 14.803 1.00 0.00 H new ATOM 0 HG13 ILE A 192 61.854 7.766 15.191 1.00 0.00 H new ATOM 0 HG21 ILE A 192 61.120 6.824 17.388 1.00 0.00 H new ATOM 0 HG22 ILE A 192 60.734 7.922 18.734 1.00 0.00 H new ATOM 0 HG23 ILE A 192 59.524 7.608 17.468 1.00 0.00 H new ATOM 0 HD11 ILE A 192 59.957 7.945 13.656 1.00 0.00 H new ATOM 0 HD12 ILE A 192 59.427 7.269 15.215 1.00 0.00 H new ATOM 0 HD13 ILE A 192 59.085 8.970 14.821 1.00 0.00 H new ATOM 933 N MET A 202 55.846 7.345 19.495 1.00 0.00 N ATOM 934 CA MET A 202 55.149 8.086 18.429 1.00 0.00 C ATOM 935 C MET A 202 56.121 8.881 17.533 1.00 0.00 C ATOM 936 O MET A 202 57.153 9.377 17.991 1.00 0.00 O ATOM 937 CB MET A 202 54.088 9.038 19.014 1.00 0.00 C ATOM 938 CG MET A 202 53.122 8.359 19.997 1.00 0.00 C ATOM 939 SD MET A 202 53.630 8.417 21.739 1.00 0.00 S ATOM 940 CE MET A 202 53.177 10.133 22.114 1.00 0.00 C ATOM 0 HA MET A 202 54.657 7.337 17.809 1.00 0.00 H new ATOM 0 HB2 MET A 202 54.592 9.860 19.523 1.00 0.00 H new ATOM 0 HB3 MET A 202 53.513 9.473 18.196 1.00 0.00 H new ATOM 0 HG2 MET A 202 52.143 8.830 19.904 1.00 0.00 H new ATOM 0 HG3 MET A 202 53.003 7.316 19.704 1.00 0.00 H new ATOM 0 HE1 MET A 202 53.854 10.531 22.870 1.00 0.00 H new ATOM 0 HE2 MET A 202 53.250 10.735 21.208 1.00 0.00 H new ATOM 0 HE3 MET A 202 52.154 10.166 22.490 1.00 0.00 H new ATOM 950 N GLY A 203 55.767 9.026 16.254 1.00 0.00 N ATOM 951 CA GLY A 203 56.512 9.816 15.266 1.00 0.00 C ATOM 952 C GLY A 203 55.786 11.085 14.831 1.00 0.00 C ATOM 953 O GLY A 203 54.556 11.156 14.894 1.00 0.00 O ATOM 0 H GLY A 203 54.933 8.587 15.865 1.00 0.00 H new ATOM 0 HA2 GLY A 203 57.481 10.087 15.685 1.00 0.00 H new ATOM 0 HA3 GLY A 203 56.705 9.198 14.389 1.00 0.00 H new ATOM 957 N THR A 204 56.545 12.043 14.300 1.00 0.00 N ATOM 958 CA THR A 204 56.058 13.291 13.690 1.00 0.00 C ATOM 959 C THR A 204 56.933 13.598 12.482 1.00 0.00 C ATOM 960 O THR A 204 58.135 13.363 12.529 1.00 0.00 O ATOM 961 CB THR A 204 56.116 14.458 14.690 1.00 0.00 C ATOM 962 OG1 THR A 204 55.492 14.098 15.900 1.00 0.00 O ATOM 963 CG2 THR A 204 55.400 15.699 14.151 1.00 0.00 C ATOM 0 H THR A 204 57.562 11.972 14.280 1.00 0.00 H new ATOM 0 HA THR A 204 55.017 13.167 13.391 1.00 0.00 H new ATOM 0 HB THR A 204 57.170 14.684 14.849 1.00 0.00 H new ATOM 0 HG1 THR A 204 54.602 14.505 15.943 1.00 0.00 H new ATOM 0 HG21 THR A 204 55.462 16.502 14.885 1.00 0.00 H new ATOM 0 HG22 THR A 204 55.874 16.018 13.223 1.00 0.00 H new ATOM 0 HG23 THR A 204 54.353 15.461 13.961 1.00 0.00 H new ATOM 971 N VAL A 205 56.347 14.115 11.406 1.00 0.00 N ATOM 972 CA VAL A 205 57.063 14.446 10.152 1.00 0.00 C ATOM 973 C VAL A 205 56.487 15.734 9.562 1.00 0.00 C ATOM 974 O VAL A 205 55.317 16.030 9.777 1.00 0.00 O ATOM 975 CB VAL A 205 57.003 13.272 9.141 1.00 0.00 C ATOM 976 CG1 VAL A 205 57.732 13.558 7.832 1.00 0.00 C ATOM 977 CG2 VAL A 205 57.603 11.972 9.700 1.00 0.00 C ATOM 0 H VAL A 205 55.349 14.323 11.368 1.00 0.00 H new ATOM 0 HA VAL A 205 58.117 14.608 10.377 1.00 0.00 H new ATOM 0 HB VAL A 205 55.935 13.156 8.955 1.00 0.00 H new ATOM 0 HG11 VAL A 205 57.649 12.694 7.173 1.00 0.00 H new ATOM 0 HG12 VAL A 205 57.285 14.427 7.349 1.00 0.00 H new ATOM 0 HG13 VAL A 205 58.784 13.758 8.037 1.00 0.00 H new ATOM 0 HG21 VAL A 205 57.533 11.186 8.948 1.00 0.00 H new ATOM 0 HG22 VAL A 205 58.649 12.136 9.958 1.00 0.00 H new ATOM 0 HG23 VAL A 205 57.053 11.671 10.591 1.00 0.00 H new ATOM 987 N GLU A 206 57.293 16.523 8.849 1.00 0.00 N ATOM 988 CA GLU A 206 56.888 17.816 8.294 1.00 0.00 C ATOM 989 C GLU A 206 57.300 17.951 6.831 1.00 0.00 C ATOM 990 O GLU A 206 58.457 17.737 6.464 1.00 0.00 O ATOM 991 CB GLU A 206 57.452 18.985 9.118 1.00 0.00 C ATOM 992 CG GLU A 206 57.147 18.859 10.614 1.00 0.00 C ATOM 993 CD GLU A 206 57.241 20.215 11.322 1.00 0.00 C ATOM 994 OE1 GLU A 206 58.365 20.671 11.638 1.00 0.00 O ATOM 995 OE2 GLU A 206 56.169 20.819 11.566 1.00 0.00 O ATOM 0 H GLU A 206 58.260 16.278 8.638 1.00 0.00 H new ATOM 0 HA GLU A 206 55.800 17.857 8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 206 58.531 19.037 8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 206 57.036 19.921 8.745 1.00 0.00 H new ATOM 0 HG2 GLU A 206 56.148 18.445 10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 206 57.846 18.159 11.071 1.00 0.00 H new ATOM 1002 N PHE A 207 56.331 18.339 6.005 1.00 0.00 N ATOM 1003 CA PHE A 207 56.431 18.460 4.555 1.00 0.00 C ATOM 1004 C PHE A 207 56.278 19.923 4.110 1.00 0.00 C ATOM 1005 O PHE A 207 55.939 20.806 4.904 1.00 0.00 O ATOM 1006 CB PHE A 207 55.315 17.607 3.942 1.00 0.00 C ATOM 1007 CG PHE A 207 55.506 16.105 4.022 1.00 0.00 C ATOM 1008 CD1 PHE A 207 55.235 15.394 5.211 1.00 0.00 C ATOM 1009 CD2 PHE A 207 55.899 15.405 2.862 1.00 0.00 C ATOM 1010 CE1 PHE A 207 55.272 13.992 5.206 1.00 0.00 C ATOM 1011 CE2 PHE A 207 55.948 14.003 2.868 1.00 0.00 C ATOM 1012 CZ PHE A 207 55.581 13.303 4.026 1.00 0.00 C ATOM 0 H PHE A 207 55.405 18.591 6.350 1.00 0.00 H new ATOM 0 HA PHE A 207 57.411 18.118 4.222 1.00 0.00 H new ATOM 0 HB2 PHE A 207 54.377 17.861 4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 207 55.207 17.884 2.893 1.00 0.00 H new ATOM 0 HD1 PHE A 207 55.000 15.927 6.120 1.00 0.00 H new ATOM 0 HD2 PHE A 207 56.163 15.950 1.967 1.00 0.00 H new ATOM 0 HE1 PHE A 207 55.062 13.443 6.112 1.00 0.00 H new ATOM 0 HE2 PHE A 207 56.266 13.466 1.986 1.00 0.00 H new ATOM 0 HZ PHE A 207 55.536 12.224 4.008 1.00 0.00 H new ATOM 1022 N THR A 208 56.505 20.166 2.813 1.00 0.00 N ATOM 1023 CA THR A 208 56.370 21.488 2.189 1.00 0.00 C ATOM 1024 C THR A 208 54.952 21.811 1.705 1.00 0.00 C ATOM 1025 O THR A 208 54.700 22.972 1.382 1.00 0.00 O ATOM 1026 CB THR A 208 57.370 21.630 1.036 1.00 0.00 C ATOM 1027 OG1 THR A 208 57.101 20.636 0.071 1.00 0.00 O ATOM 1028 CG2 THR A 208 58.820 21.483 1.501 1.00 0.00 C ATOM 0 H THR A 208 56.792 19.439 2.158 1.00 0.00 H new ATOM 0 HA THR A 208 56.590 22.215 2.971 1.00 0.00 H new ATOM 0 HB THR A 208 57.253 22.630 0.619 1.00 0.00 H new ATOM 0 HG1 THR A 208 57.735 20.721 -0.671 1.00 0.00 H new ATOM 0 HG21 THR A 208 59.489 21.592 0.647 1.00 0.00 H new ATOM 0 HG22 THR A 208 59.045 22.253 2.239 1.00 0.00 H new ATOM 0 HG23 THR A 208 58.960 20.499 1.949 1.00 0.00 H new ATOM 1036 N ASN A 209 54.023 20.840 1.655 1.00 0.00 N ATOM 1037 CA ASN A 209 52.724 21.019 1.009 1.00 0.00 C ATOM 1038 C ASN A 209 51.542 20.220 1.594 1.00 0.00 C ATOM 1039 O ASN A 209 51.566 18.993 1.693 1.00 0.00 O ATOM 1040 CB ASN A 209 52.918 20.756 -0.490 1.00 0.00 C ATOM 1041 CG ASN A 209 51.624 20.981 -1.244 1.00 0.00 C ATOM 1042 OD1 ASN A 209 50.764 20.113 -1.305 1.00 0.00 O ATOM 1043 ND2 ASN A 209 51.413 22.176 -1.755 1.00 0.00 N ATOM 0 H ASN A 209 54.157 19.914 2.062 1.00 0.00 H new ATOM 0 HA ASN A 209 52.410 22.044 1.206 1.00 0.00 H new ATOM 0 HB2 ASN A 209 53.693 21.414 -0.883 1.00 0.00 H new ATOM 0 HB3 ASN A 209 53.261 19.733 -0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 209 50.524 22.387 -2.208 1.00 0.00 H new ATOM 0 HD22 ASN A 209 52.138 22.891 -1.697 1.00 0.00 H new ATOM 1050 N SER A 210 50.459 20.949 1.890 1.00 0.00 N ATOM 1051 CA SER A 210 49.225 20.511 2.561 1.00 0.00 C ATOM 1052 C SER A 210 48.265 19.638 1.717 1.00 0.00 C ATOM 1053 O SER A 210 47.212 19.230 2.213 1.00 0.00 O ATOM 1054 CB SER A 210 48.492 21.757 3.092 1.00 0.00 C ATOM 1055 OG SER A 210 48.303 22.729 2.070 1.00 0.00 O ATOM 0 H SER A 210 50.418 21.939 1.648 1.00 0.00 H new ATOM 0 HA SER A 210 49.540 19.846 3.365 1.00 0.00 H new ATOM 0 HB2 SER A 210 47.525 21.464 3.500 1.00 0.00 H new ATOM 0 HB3 SER A 210 49.064 22.195 3.910 1.00 0.00 H new ATOM 0 HG SER A 210 47.834 23.506 2.440 1.00 0.00 H new ATOM 1061 N ASP A 211 48.624 19.300 0.473 1.00 0.00 N ATOM 1062 CA ASP A 211 47.934 18.311 -0.372 1.00 0.00 C ATOM 1063 C ASP A 211 48.821 17.080 -0.649 1.00 0.00 C ATOM 1064 O ASP A 211 48.331 15.951 -0.612 1.00 0.00 O ATOM 1065 CB ASP A 211 47.478 18.982 -1.676 1.00 0.00 C ATOM 1066 CG ASP A 211 46.633 18.038 -2.545 1.00 0.00 C ATOM 1067 OD1 ASP A 211 45.479 17.732 -2.157 1.00 0.00 O ATOM 1068 OD2 ASP A 211 47.110 17.636 -3.633 1.00 0.00 O ATOM 0 H ASP A 211 49.429 19.720 0.009 1.00 0.00 H new ATOM 0 HA ASP A 211 47.057 17.946 0.162 1.00 0.00 H new ATOM 0 HB2 ASP A 211 46.898 19.874 -1.441 1.00 0.00 H new ATOM 0 HB3 ASP A 211 48.352 19.309 -2.240 1.00 0.00 H new ATOM 1073 N ASP A 212 50.136 17.267 -0.825 1.00 0.00 N ATOM 1074 CA ASP A 212 51.100 16.165 -0.963 1.00 0.00 C ATOM 1075 C ASP A 212 51.211 15.307 0.311 1.00 0.00 C ATOM 1076 O ASP A 212 51.466 14.108 0.219 1.00 0.00 O ATOM 1077 CB ASP A 212 52.483 16.705 -1.358 1.00 0.00 C ATOM 1078 CG ASP A 212 52.551 17.193 -2.816 1.00 0.00 C ATOM 1079 OD1 ASP A 212 52.203 16.410 -3.733 1.00 0.00 O ATOM 1080 OD2 ASP A 212 52.999 18.342 -3.047 1.00 0.00 O ATOM 0 H ASP A 212 50.564 18.191 -0.876 1.00 0.00 H new ATOM 0 HA ASP A 212 50.723 15.517 -1.754 1.00 0.00 H new ATOM 0 HB2 ASP A 212 52.748 17.528 -0.694 1.00 0.00 H new ATOM 0 HB3 ASP A 212 53.227 15.923 -1.209 1.00 0.00 H new ATOM 1085 N VAL A 213 50.945 15.887 1.485 1.00 0.00 N ATOM 1086 CA VAL A 213 50.832 15.151 2.762 1.00 0.00 C ATOM 1087 C VAL A 213 49.731 14.079 2.759 1.00 0.00 C ATOM 1088 O VAL A 213 49.912 13.021 3.362 1.00 0.00 O ATOM 1089 CB VAL A 213 50.607 16.087 3.970 1.00 0.00 C ATOM 1090 CG1 VAL A 213 51.901 16.817 4.335 1.00 0.00 C ATOM 1091 CG2 VAL A 213 49.500 17.124 3.734 1.00 0.00 C ATOM 0 H VAL A 213 50.799 16.892 1.584 1.00 0.00 H new ATOM 0 HA VAL A 213 51.796 14.653 2.865 1.00 0.00 H new ATOM 0 HB VAL A 213 50.289 15.444 4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 213 51.721 17.471 5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 213 52.670 16.088 4.592 1.00 0.00 H new ATOM 0 HG13 VAL A 213 52.235 17.412 3.485 1.00 0.00 H new ATOM 0 HG21 VAL A 213 49.393 17.750 4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 213 49.762 17.748 2.879 1.00 0.00 H new ATOM 0 HG23 VAL A 213 48.558 16.612 3.535 1.00 0.00 H new ATOM 1101 N ASP A 214 48.617 14.296 2.049 1.00 0.00 N ATOM 1102 CA ASP A 214 47.594 13.265 1.855 1.00 0.00 C ATOM 1103 C ASP A 214 48.085 12.213 0.851 1.00 0.00 C ATOM 1104 O ASP A 214 48.051 11.022 1.150 1.00 0.00 O ATOM 1105 CB ASP A 214 46.269 13.913 1.426 1.00 0.00 C ATOM 1106 CG ASP A 214 45.138 12.882 1.283 1.00 0.00 C ATOM 1107 OD1 ASP A 214 44.760 12.258 2.303 1.00 0.00 O ATOM 1108 OD2 ASP A 214 44.619 12.706 0.157 1.00 0.00 O ATOM 0 H ASP A 214 48.402 15.184 1.597 1.00 0.00 H new ATOM 0 HA ASP A 214 47.411 12.748 2.797 1.00 0.00 H new ATOM 0 HB2 ASP A 214 45.981 14.666 2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 214 46.410 14.429 0.476 1.00 0.00 H new ATOM 1113 N ARG A 215 48.648 12.646 -0.286 1.00 0.00 N ATOM 1114 CA ARG A 215 49.201 11.749 -1.318 1.00 0.00 C ATOM 1115 C ARG A 215 50.304 10.822 -0.775 1.00 0.00 C ATOM 1116 O ARG A 215 50.428 9.687 -1.239 1.00 0.00 O ATOM 1117 CB ARG A 215 49.727 12.562 -2.513 1.00 0.00 C ATOM 1118 CG ARG A 215 48.621 13.391 -3.185 1.00 0.00 C ATOM 1119 CD ARG A 215 49.187 14.270 -4.304 1.00 0.00 C ATOM 1120 NE ARG A 215 48.176 15.236 -4.757 1.00 0.00 N ATOM 1121 CZ ARG A 215 47.380 15.167 -5.814 1.00 0.00 C ATOM 1122 NH1 ARG A 215 47.416 14.178 -6.684 1.00 0.00 N ATOM 1123 NH2 ARG A 215 46.514 16.139 -5.979 1.00 0.00 N ATOM 0 H ARG A 215 48.734 13.635 -0.520 1.00 0.00 H new ATOM 0 HA ARG A 215 48.383 11.109 -1.648 1.00 0.00 H new ATOM 0 HB2 ARG A 215 50.522 13.227 -2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 215 50.167 11.885 -3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 215 47.861 12.725 -3.592 1.00 0.00 H new ATOM 0 HG3 ARG A 215 48.130 14.018 -2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 215 50.071 14.799 -3.948 1.00 0.00 H new ATOM 0 HD3 ARG A 215 49.504 13.646 -5.140 1.00 0.00 H new ATOM 0 HE ARG A 215 48.073 16.071 -4.181 1.00 0.00 H new ATOM 0 HH11 ARG A 215 48.081 13.414 -6.561 1.00 0.00 H new ATOM 0 HH12 ARG A 215 46.779 14.176 -7.481 1.00 0.00 H new ATOM 0 HH21 ARG A 215 46.474 16.906 -5.308 1.00 0.00 H new ATOM 0 HH22 ARG A 215 45.881 16.128 -6.779 1.00 0.00 H new ATOM 1137 N ALA A 216 51.049 11.265 0.245 1.00 0.00 N ATOM 1138 CA ALA A 216 51.943 10.433 1.047 1.00 0.00 C ATOM 1139 C ALA A 216 51.164 9.376 1.844 1.00 0.00 C ATOM 1140 O ALA A 216 51.248 8.183 1.566 1.00 0.00 O ATOM 1141 CB ALA A 216 52.775 11.350 1.965 1.00 0.00 C ATOM 0 H ALA A 216 51.044 12.241 0.541 1.00 0.00 H new ATOM 0 HA ALA A 216 52.615 9.880 0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 216 53.448 10.744 2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 216 53.358 12.042 1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 216 52.108 11.914 2.617 1.00 0.00 H new ATOM 1147 N ILE A 217 50.383 9.806 2.838 1.00 0.00 N ATOM 1148 CA ILE A 217 49.783 8.914 3.851 1.00 0.00 C ATOM 1149 C ILE A 217 48.826 7.889 3.227 1.00 0.00 C ATOM 1150 O ILE A 217 48.842 6.727 3.628 1.00 0.00 O ATOM 1151 CB ILE A 217 49.143 9.779 4.955 1.00 0.00 C ATOM 1152 CG1 ILE A 217 50.289 10.451 5.754 1.00 0.00 C ATOM 1153 CG2 ILE A 217 48.236 8.958 5.892 1.00 0.00 C ATOM 1154 CD1 ILE A 217 49.785 11.645 6.564 1.00 0.00 C ATOM 0 H ILE A 217 50.143 10.789 2.969 1.00 0.00 H new ATOM 0 HA ILE A 217 50.559 8.304 4.313 1.00 0.00 H new ATOM 0 HB ILE A 217 48.501 10.529 4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 217 50.742 9.721 6.425 1.00 0.00 H new ATOM 0 HG13 ILE A 217 51.068 10.780 5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 217 47.810 9.613 6.652 1.00 0.00 H new ATOM 0 HG22 ILE A 217 47.432 8.502 5.313 1.00 0.00 H new ATOM 0 HG23 ILE A 217 48.823 8.177 6.375 1.00 0.00 H new ATOM 0 HD11 ILE A 217 50.616 12.091 7.111 1.00 0.00 H new ATOM 0 HD12 ILE A 217 49.355 12.386 5.890 1.00 0.00 H new ATOM 0 HD13 ILE A 217 49.024 11.311 7.269 1.00 0.00 H new ATOM 1166 N ARG A 218 48.100 8.269 2.169 1.00 0.00 N ATOM 1167 CA ARG A 218 47.245 7.370 1.368 1.00 0.00 C ATOM 1168 C ARG A 218 48.000 6.181 0.728 1.00 0.00 C ATOM 1169 O ARG A 218 47.358 5.245 0.249 1.00 0.00 O ATOM 1170 CB ARG A 218 46.527 8.174 0.266 1.00 0.00 C ATOM 1171 CG ARG A 218 45.539 9.232 0.782 1.00 0.00 C ATOM 1172 CD ARG A 218 44.196 8.686 1.270 1.00 0.00 C ATOM 1173 NE ARG A 218 43.364 9.813 1.723 1.00 0.00 N ATOM 1174 CZ ARG A 218 42.091 9.786 2.092 1.00 0.00 C ATOM 1175 NH1 ARG A 218 41.391 8.671 2.124 1.00 0.00 N ATOM 1176 NH2 ARG A 218 41.510 10.912 2.444 1.00 0.00 N ATOM 0 H ARG A 218 48.087 9.232 1.834 1.00 0.00 H new ATOM 0 HA ARG A 218 46.528 6.939 2.067 1.00 0.00 H new ATOM 0 HB2 ARG A 218 47.277 8.668 -0.351 1.00 0.00 H new ATOM 0 HB3 ARG A 218 45.990 7.479 -0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 218 46.010 9.778 1.600 1.00 0.00 H new ATOM 0 HG3 ARG A 218 45.352 9.951 -0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 218 43.694 8.145 0.468 1.00 0.00 H new ATOM 0 HD3 ARG A 218 44.349 7.978 2.085 1.00 0.00 H new ATOM 0 HE ARG A 218 43.822 10.724 1.757 1.00 0.00 H new ATOM 0 HH11 ARG A 218 41.827 7.788 1.859 1.00 0.00 H new ATOM 0 HH12 ARG A 218 40.413 8.691 2.414 1.00 0.00 H new ATOM 0 HH21 ARG A 218 42.038 11.785 2.430 1.00 0.00 H new ATOM 0 HH22 ARG A 218 40.531 10.913 2.731 1.00 0.00 H new ATOM 1190 N GLN A 219 49.337 6.196 0.717 1.00 0.00 N ATOM 1191 CA GLN A 219 50.202 5.125 0.207 1.00 0.00 C ATOM 1192 C GLN A 219 51.087 4.493 1.305 1.00 0.00 C ATOM 1193 O GLN A 219 51.808 3.537 1.015 1.00 0.00 O ATOM 1194 CB GLN A 219 51.076 5.682 -0.937 1.00 0.00 C ATOM 1195 CG GLN A 219 50.280 6.222 -2.141 1.00 0.00 C ATOM 1196 CD GLN A 219 49.398 5.175 -2.837 1.00 0.00 C ATOM 1197 OE1 GLN A 219 49.611 3.969 -2.763 1.00 0.00 O ATOM 1198 NE2 GLN A 219 48.364 5.593 -3.540 1.00 0.00 N ATOM 0 H GLN A 219 49.869 6.988 1.078 1.00 0.00 H new ATOM 0 HA GLN A 219 49.558 4.327 -0.164 1.00 0.00 H new ATOM 0 HB2 GLN A 219 51.702 6.482 -0.543 1.00 0.00 H new ATOM 0 HB3 GLN A 219 51.745 4.894 -1.283 1.00 0.00 H new ATOM 0 HG2 GLN A 219 49.650 7.045 -1.805 1.00 0.00 H new ATOM 0 HG3 GLN A 219 50.979 6.633 -2.869 1.00 0.00 H new ATOM 0 HE21 GLN A 219 48.168 6.591 -3.615 1.00 0.00 H new ATOM 0 HE22 GLN A 219 47.760 4.918 -4.009 1.00 0.00 H new ATOM 1207 N TYR A 220 51.024 4.979 2.555 1.00 0.00 N ATOM 1208 CA TYR A 220 51.914 4.560 3.652 1.00 0.00 C ATOM 1209 C TYR A 220 51.207 4.141 4.956 1.00 0.00 C ATOM 1210 O TYR A 220 51.785 3.370 5.723 1.00 0.00 O ATOM 1211 CB TYR A 220 52.908 5.687 3.973 1.00 0.00 C ATOM 1212 CG TYR A 220 53.837 6.141 2.857 1.00 0.00 C ATOM 1213 CD1 TYR A 220 54.543 5.211 2.066 1.00 0.00 C ATOM 1214 CD2 TYR A 220 54.044 7.517 2.653 1.00 0.00 C ATOM 1215 CE1 TYR A 220 55.428 5.656 1.066 1.00 0.00 C ATOM 1216 CE2 TYR A 220 54.929 7.974 1.663 1.00 0.00 C ATOM 1217 CZ TYR A 220 55.624 7.040 0.859 1.00 0.00 C ATOM 1218 OH TYR A 220 56.474 7.462 -0.117 1.00 0.00 O ATOM 0 H TYR A 220 50.344 5.685 2.837 1.00 0.00 H new ATOM 0 HA TYR A 220 52.413 3.665 3.280 1.00 0.00 H new ATOM 0 HB2 TYR A 220 52.338 6.553 4.310 1.00 0.00 H new ATOM 0 HB3 TYR A 220 53.523 5.364 4.813 1.00 0.00 H new ATOM 0 HD1 TYR A 220 54.404 4.152 2.228 1.00 0.00 H new ATOM 0 HD2 TYR A 220 53.515 8.232 3.266 1.00 0.00 H new ATOM 0 HE1 TYR A 220 55.958 4.939 0.456 1.00 0.00 H new ATOM 0 HE2 TYR A 220 55.078 9.033 1.516 1.00 0.00 H new ATOM 0 HH TYR A 220 56.487 6.807 -0.846 1.00 0.00 H new ATOM 1228 N ASP A 221 49.974 4.582 5.232 1.00 0.00 N ATOM 1229 CA ASP A 221 49.221 4.093 6.395 1.00 0.00 C ATOM 1230 C ASP A 221 48.964 2.579 6.253 1.00 0.00 C ATOM 1231 O ASP A 221 48.373 2.133 5.264 1.00 0.00 O ATOM 1232 CB ASP A 221 47.914 4.882 6.544 1.00 0.00 C ATOM 1233 CG ASP A 221 47.180 4.507 7.841 1.00 0.00 C ATOM 1234 OD1 ASP A 221 47.723 4.790 8.936 1.00 0.00 O ATOM 1235 OD2 ASP A 221 46.069 3.933 7.757 1.00 0.00 O ATOM 0 H ASP A 221 49.478 5.273 4.670 1.00 0.00 H new ATOM 0 HA ASP A 221 49.805 4.248 7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 221 48.129 5.950 6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 221 47.268 4.685 5.688 1.00 0.00 H new ATOM 1240 N GLY A 222 49.450 1.784 7.216 1.00 0.00 N ATOM 1241 CA GLY A 222 49.474 0.317 7.129 1.00 0.00 C ATOM 1242 C GLY A 222 50.781 -0.296 6.633 1.00 0.00 C ATOM 1243 O GLY A 222 50.854 -1.523 6.556 1.00 0.00 O ATOM 0 H GLY A 222 49.842 2.145 8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 222 49.255 -0.091 8.116 1.00 0.00 H new ATOM 0 HA3 GLY A 222 48.670 -0.002 6.466 1.00 0.00 H new ATOM 1247 N ALA A 223 51.811 0.500 6.321 1.00 0.00 N ATOM 1248 CA ALA A 223 53.152 -0.019 6.060 1.00 0.00 C ATOM 1249 C ALA A 223 53.698 -0.724 7.318 1.00 0.00 C ATOM 1250 O ALA A 223 54.040 -0.086 8.314 1.00 0.00 O ATOM 1251 CB ALA A 223 54.078 1.113 5.574 1.00 0.00 C ATOM 0 H ALA A 223 51.736 1.514 6.244 1.00 0.00 H new ATOM 0 HA ALA A 223 53.108 -0.761 5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 223 55.074 0.712 5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 223 53.677 1.542 4.655 1.00 0.00 H new ATOM 0 HB3 ALA A 223 54.139 1.887 6.339 1.00 0.00 H new ATOM 1257 N PHE A 224 53.784 -2.053 7.272 1.00 0.00 N ATOM 1258 CA PHE A 224 54.672 -2.819 8.155 1.00 0.00 C ATOM 1259 C PHE A 224 56.127 -2.356 7.965 1.00 0.00 C ATOM 1260 O PHE A 224 56.650 -2.331 6.848 1.00 0.00 O ATOM 1261 CB PHE A 224 54.494 -4.326 7.922 1.00 0.00 C ATOM 1262 CG PHE A 224 53.262 -4.893 8.603 1.00 0.00 C ATOM 1263 CD1 PHE A 224 52.006 -4.844 7.970 1.00 0.00 C ATOM 1264 CD2 PHE A 224 53.371 -5.456 9.891 1.00 0.00 C ATOM 1265 CE1 PHE A 224 50.869 -5.367 8.612 1.00 0.00 C ATOM 1266 CE2 PHE A 224 52.234 -5.975 10.535 1.00 0.00 C ATOM 1267 CZ PHE A 224 50.983 -5.934 9.895 1.00 0.00 C ATOM 0 H PHE A 224 53.244 -2.629 6.626 1.00 0.00 H new ATOM 0 HA PHE A 224 54.405 -2.631 9.195 1.00 0.00 H new ATOM 0 HB2 PHE A 224 54.430 -4.517 6.851 1.00 0.00 H new ATOM 0 HB3 PHE A 224 55.377 -4.851 8.287 1.00 0.00 H new ATOM 0 HD1 PHE A 224 51.915 -4.403 6.988 1.00 0.00 H new ATOM 0 HD2 PHE A 224 54.331 -5.489 10.385 1.00 0.00 H new ATOM 0 HE1 PHE A 224 49.908 -5.333 8.120 1.00 0.00 H new ATOM 0 HE2 PHE A 224 52.322 -6.405 11.522 1.00 0.00 H new ATOM 0 HZ PHE A 224 50.110 -6.337 10.387 1.00 0.00 H new ATOM 1277 N PHE A 225 56.754 -1.949 9.073 1.00 0.00 N ATOM 1278 CA PHE A 225 57.936 -1.089 9.096 1.00 0.00 C ATOM 1279 C PHE A 225 58.772 -1.425 10.340 1.00 0.00 C ATOM 1280 O PHE A 225 58.320 -1.224 11.470 1.00 0.00 O ATOM 1281 CB PHE A 225 57.435 0.355 9.126 1.00 0.00 C ATOM 1282 CG PHE A 225 58.468 1.401 8.784 1.00 0.00 C ATOM 1283 CD1 PHE A 225 58.647 1.752 7.436 1.00 0.00 C ATOM 1284 CD2 PHE A 225 59.217 2.046 9.788 1.00 0.00 C ATOM 1285 CE1 PHE A 225 59.568 2.748 7.088 1.00 0.00 C ATOM 1286 CE2 PHE A 225 60.143 3.045 9.433 1.00 0.00 C ATOM 1287 CZ PHE A 225 60.314 3.402 8.084 1.00 0.00 C ATOM 0 H PHE A 225 56.442 -2.218 10.006 1.00 0.00 H new ATOM 0 HA PHE A 225 58.571 -1.237 8.223 1.00 0.00 H new ATOM 0 HB2 PHE A 225 56.602 0.448 8.429 1.00 0.00 H new ATOM 0 HB3 PHE A 225 57.043 0.566 10.121 1.00 0.00 H new ATOM 0 HD1 PHE A 225 58.074 1.254 6.668 1.00 0.00 H new ATOM 0 HD2 PHE A 225 59.081 1.775 10.825 1.00 0.00 H new ATOM 0 HE1 PHE A 225 59.706 3.015 6.051 1.00 0.00 H new ATOM 0 HE2 PHE A 225 60.723 3.538 10.199 1.00 0.00 H new ATOM 0 HZ PHE A 225 61.016 4.176 7.814 1.00 0.00 H new ATOM 1297 N MET A 226 59.955 -2.022 10.141 1.00 0.00 N ATOM 1298 CA MET A 226 60.791 -2.607 11.212 1.00 0.00 C ATOM 1299 C MET A 226 60.065 -3.709 12.032 1.00 0.00 C ATOM 1300 O MET A 226 60.434 -3.966 13.179 1.00 0.00 O ATOM 1301 CB MET A 226 61.384 -1.507 12.117 1.00 0.00 C ATOM 1302 CG MET A 226 62.163 -0.432 11.352 1.00 0.00 C ATOM 1303 SD MET A 226 63.008 0.724 12.460 1.00 0.00 S ATOM 1304 CE MET A 226 63.712 1.849 11.231 1.00 0.00 C ATOM 0 H MET A 226 60.371 -2.117 9.214 1.00 0.00 H new ATOM 0 HA MET A 226 61.617 -3.116 10.715 1.00 0.00 H new ATOM 0 HB2 MET A 226 60.576 -1.031 12.672 1.00 0.00 H new ATOM 0 HB3 MET A 226 62.045 -1.969 12.850 1.00 0.00 H new ATOM 0 HG2 MET A 226 62.896 -0.911 10.703 1.00 0.00 H new ATOM 0 HG3 MET A 226 61.479 0.120 10.708 1.00 0.00 H new ATOM 0 HE1 MET A 226 64.274 2.635 11.736 1.00 0.00 H new ATOM 0 HE2 MET A 226 64.378 1.295 10.570 1.00 0.00 H new ATOM 0 HE3 MET A 226 62.909 2.296 10.645 1.00 0.00 H new ATOM 1314 N ASP A 227 59.037 -4.334 11.431 1.00 0.00 N ATOM 1315 CA ASP A 227 58.204 -5.478 11.876 1.00 0.00 C ATOM 1316 C ASP A 227 56.815 -5.102 12.439 1.00 0.00 C ATOM 1317 O ASP A 227 55.973 -5.990 12.586 1.00 0.00 O ATOM 1318 CB ASP A 227 58.952 -6.446 12.817 1.00 0.00 C ATOM 1319 CG ASP A 227 58.242 -7.803 12.964 1.00 0.00 C ATOM 1320 OD1 ASP A 227 58.167 -8.553 11.960 1.00 0.00 O ATOM 1321 OD2 ASP A 227 57.785 -8.128 14.087 1.00 0.00 O ATOM 0 H ASP A 227 58.730 -4.015 10.512 1.00 0.00 H new ATOM 0 HA ASP A 227 58.001 -6.012 10.947 1.00 0.00 H new ATOM 0 HB2 ASP A 227 59.961 -6.608 12.437 1.00 0.00 H new ATOM 0 HB3 ASP A 227 59.052 -5.985 13.800 1.00 0.00 H new ATOM 1326 N ARG A 228 56.528 -3.820 12.716 1.00 0.00 N ATOM 1327 CA ARG A 228 55.208 -3.357 13.199 1.00 0.00 C ATOM 1328 C ARG A 228 54.536 -2.412 12.199 1.00 0.00 C ATOM 1329 O ARG A 228 55.185 -1.642 11.497 1.00 0.00 O ATOM 1330 CB ARG A 228 55.308 -2.675 14.578 1.00 0.00 C ATOM 1331 CG ARG A 228 56.006 -3.480 15.692 1.00 0.00 C ATOM 1332 CD ARG A 228 55.184 -4.653 16.250 1.00 0.00 C ATOM 1333 NE ARG A 228 55.105 -5.785 15.312 1.00 0.00 N ATOM 1334 CZ ARG A 228 54.411 -6.904 15.465 1.00 0.00 C ATOM 1335 NH1 ARG A 228 53.675 -7.137 16.534 1.00 0.00 N ATOM 1336 NH2 ARG A 228 54.459 -7.809 14.514 1.00 0.00 N ATOM 0 H ARG A 228 57.208 -3.067 12.612 1.00 0.00 H new ATOM 0 HA ARG A 228 54.589 -4.249 13.300 1.00 0.00 H new ATOM 0 HB2 ARG A 228 55.839 -1.731 14.455 1.00 0.00 H new ATOM 0 HB3 ARG A 228 54.300 -2.432 14.913 1.00 0.00 H new ATOM 0 HG2 ARG A 228 56.949 -3.867 15.305 1.00 0.00 H new ATOM 0 HG3 ARG A 228 56.251 -2.804 16.511 1.00 0.00 H new ATOM 0 HD2 ARG A 228 55.629 -4.991 17.186 1.00 0.00 H new ATOM 0 HD3 ARG A 228 54.177 -4.308 16.483 1.00 0.00 H new ATOM 0 HE ARG A 228 55.643 -5.699 14.450 1.00 0.00 H new ATOM 0 HH11 ARG A 228 53.626 -6.443 17.280 1.00 0.00 H new ATOM 0 HH12 ARG A 228 53.155 -8.011 16.615 1.00 0.00 H new ATOM 0 HH21 ARG A 228 55.022 -7.643 13.680 1.00 0.00 H new ATOM 0 HH22 ARG A 228 53.933 -8.678 14.610 1.00 0.00 H new ATOM 1350 N LYS A 229 53.208 -2.462 12.134 1.00 0.00 N ATOM 1351 CA LYS A 229 52.372 -1.638 11.259 1.00 0.00 C ATOM 1352 C LYS A 229 52.394 -0.147 11.664 1.00 0.00 C ATOM 1353 O LYS A 229 51.861 0.203 12.720 1.00 0.00 O ATOM 1354 CB LYS A 229 50.973 -2.259 11.347 1.00 0.00 C ATOM 1355 CG LYS A 229 50.008 -1.677 10.318 1.00 0.00 C ATOM 1356 CD LYS A 229 48.710 -2.482 10.380 1.00 0.00 C ATOM 1357 CE LYS A 229 47.674 -1.915 9.405 1.00 0.00 C ATOM 1358 NZ LYS A 229 46.383 -2.652 9.476 1.00 0.00 N ATOM 0 H LYS A 229 52.662 -3.102 12.711 1.00 0.00 H new ATOM 0 HA LYS A 229 52.738 -1.635 10.232 1.00 0.00 H new ATOM 0 HB2 LYS A 229 51.048 -3.337 11.201 1.00 0.00 H new ATOM 0 HB3 LYS A 229 50.571 -2.100 12.348 1.00 0.00 H new ATOM 0 HG2 LYS A 229 49.815 -0.625 10.529 1.00 0.00 H new ATOM 0 HG3 LYS A 229 50.440 -1.727 9.319 1.00 0.00 H new ATOM 0 HD2 LYS A 229 48.912 -3.525 10.138 1.00 0.00 H new ATOM 0 HD3 LYS A 229 48.312 -2.461 11.394 1.00 0.00 H new ATOM 0 HE2 LYS A 229 47.504 -0.862 9.628 1.00 0.00 H new ATOM 0 HE3 LYS A 229 48.066 -1.966 8.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 45.709 -2.237 8.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 46.541 -3.652 9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 45.996 -2.582 10.439 1.00 0.00 H new ATOM 1372 N ILE A 230 52.978 0.750 10.852 1.00 0.00 N ATOM 1373 CA ILE A 230 52.777 2.199 11.029 1.00 0.00 C ATOM 1374 C ILE A 230 51.300 2.588 10.874 1.00 0.00 C ATOM 1375 O ILE A 230 50.596 2.065 10.006 1.00 0.00 O ATOM 1376 CB ILE A 230 53.709 3.111 10.186 1.00 0.00 C ATOM 1377 CG1 ILE A 230 53.194 3.420 8.763 1.00 0.00 C ATOM 1378 CG2 ILE A 230 55.149 2.583 10.133 1.00 0.00 C ATOM 1379 CD1 ILE A 230 54.188 4.244 7.929 1.00 0.00 C ATOM 0 H ILE A 230 53.588 0.501 10.073 1.00 0.00 H new ATOM 0 HA ILE A 230 53.081 2.391 12.058 1.00 0.00 H new ATOM 0 HB ILE A 230 53.703 4.060 10.722 1.00 0.00 H new ATOM 0 HG12 ILE A 230 52.985 2.483 8.247 1.00 0.00 H new ATOM 0 HG13 ILE A 230 52.251 3.962 8.834 1.00 0.00 H new ATOM 0 HG21 ILE A 230 55.761 3.255 9.532 1.00 0.00 H new ATOM 0 HG22 ILE A 230 55.554 2.529 11.143 1.00 0.00 H new ATOM 0 HG23 ILE A 230 55.156 1.589 9.686 1.00 0.00 H new ATOM 0 HD11 ILE A 230 53.768 4.428 6.940 1.00 0.00 H new ATOM 0 HD12 ILE A 230 54.378 5.196 8.425 1.00 0.00 H new ATOM 0 HD13 ILE A 230 55.123 3.693 7.829 1.00 0.00 H new ATOM 1391 N PHE A 231 50.851 3.532 11.700 1.00 0.00 N ATOM 1392 CA PHE A 231 49.481 4.024 11.728 1.00 0.00 C ATOM 1393 C PHE A 231 49.497 5.543 11.892 1.00 0.00 C ATOM 1394 O PHE A 231 50.185 6.068 12.767 1.00 0.00 O ATOM 1395 CB PHE A 231 48.758 3.332 12.882 1.00 0.00 C ATOM 1396 CG PHE A 231 47.395 3.910 13.199 1.00 0.00 C ATOM 1397 CD1 PHE A 231 46.257 3.494 12.484 1.00 0.00 C ATOM 1398 CD2 PHE A 231 47.277 4.894 14.197 1.00 0.00 C ATOM 1399 CE1 PHE A 231 45.001 4.055 12.777 1.00 0.00 C ATOM 1400 CE2 PHE A 231 46.022 5.457 14.489 1.00 0.00 C ATOM 1401 CZ PHE A 231 44.882 5.035 13.780 1.00 0.00 C ATOM 0 H PHE A 231 51.451 3.987 12.388 1.00 0.00 H new ATOM 0 HA PHE A 231 48.955 3.800 10.800 1.00 0.00 H new ATOM 0 HB2 PHE A 231 48.645 2.275 12.643 1.00 0.00 H new ATOM 0 HB3 PHE A 231 49.382 3.392 13.774 1.00 0.00 H new ATOM 0 HD1 PHE A 231 46.348 2.745 11.711 1.00 0.00 H new ATOM 0 HD2 PHE A 231 48.152 5.218 14.740 1.00 0.00 H new ATOM 0 HE1 PHE A 231 44.126 3.733 12.231 1.00 0.00 H new ATOM 0 HE2 PHE A 231 45.933 6.212 15.256 1.00 0.00 H new ATOM 0 HZ PHE A 231 43.916 5.463 14.005 1.00 0.00 H new ATOM 1411 N VAL A 232 48.760 6.243 11.035 1.00 0.00 N ATOM 1412 CA VAL A 232 48.900 7.688 10.836 1.00 0.00 C ATOM 1413 C VAL A 232 47.605 8.286 10.281 1.00 0.00 C ATOM 1414 O VAL A 232 47.085 7.859 9.251 1.00 0.00 O ATOM 1415 CB VAL A 232 50.141 8.029 9.962 1.00 0.00 C ATOM 1416 CG1 VAL A 232 50.452 6.974 8.880 1.00 0.00 C ATOM 1417 CG2 VAL A 232 50.066 9.417 9.301 1.00 0.00 C ATOM 0 H VAL A 232 48.039 5.821 10.450 1.00 0.00 H new ATOM 0 HA VAL A 232 49.077 8.151 11.807 1.00 0.00 H new ATOM 0 HB VAL A 232 50.958 8.031 10.683 1.00 0.00 H new ATOM 0 HG11 VAL A 232 51.330 7.283 8.313 1.00 0.00 H new ATOM 0 HG12 VAL A 232 50.646 6.012 9.355 1.00 0.00 H new ATOM 0 HG13 VAL A 232 49.600 6.881 8.207 1.00 0.00 H new ATOM 0 HG21 VAL A 232 50.964 9.586 8.708 1.00 0.00 H new ATOM 0 HG22 VAL A 232 49.190 9.465 8.655 1.00 0.00 H new ATOM 0 HG23 VAL A 232 49.991 10.184 10.072 1.00 0.00 H new ATOM 1427 N ARG A 233 47.130 9.319 10.985 1.00 0.00 N ATOM 1428 CA ARG A 233 46.027 10.202 10.601 1.00 0.00 C ATOM 1429 C ARG A 233 46.609 11.470 9.963 1.00 0.00 C ATOM 1430 O ARG A 233 47.618 11.997 10.434 1.00 0.00 O ATOM 1431 CB ARG A 233 45.220 10.531 11.873 1.00 0.00 C ATOM 1432 CG ARG A 233 43.999 11.442 11.643 1.00 0.00 C ATOM 1433 CD ARG A 233 43.369 11.844 12.987 1.00 0.00 C ATOM 1434 NE ARG A 233 42.381 12.932 12.836 1.00 0.00 N ATOM 1435 CZ ARG A 233 41.085 12.817 12.567 1.00 0.00 C ATOM 1436 NH1 ARG A 233 40.524 11.653 12.307 1.00 0.00 N ATOM 1437 NH2 ARG A 233 40.321 13.890 12.561 1.00 0.00 N ATOM 0 H ARG A 233 47.528 9.574 11.889 1.00 0.00 H new ATOM 0 HA ARG A 233 45.367 9.729 9.874 1.00 0.00 H new ATOM 0 HB2 ARG A 233 44.881 9.598 12.323 1.00 0.00 H new ATOM 0 HB3 ARG A 233 45.883 11.010 12.594 1.00 0.00 H new ATOM 0 HG2 ARG A 233 44.301 12.334 11.095 1.00 0.00 H new ATOM 0 HG3 ARG A 233 43.262 10.925 11.029 1.00 0.00 H new ATOM 0 HD2 ARG A 233 42.885 10.975 13.434 1.00 0.00 H new ATOM 0 HD3 ARG A 233 44.154 12.161 13.674 1.00 0.00 H new ATOM 0 HE ARG A 233 42.735 13.882 12.952 1.00 0.00 H new ATOM 0 HH11 ARG A 233 41.088 10.803 12.308 1.00 0.00 H new ATOM 0 HH12 ARG A 233 39.526 11.602 12.105 1.00 0.00 H new ATOM 0 HH21 ARG A 233 40.725 14.805 12.762 1.00 0.00 H new ATOM 0 HH22 ARG A 233 39.326 13.806 12.355 1.00 0.00 H new