USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=13 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 208 THR OG1 : rot 76:sc= 1.06 USER MOD Set 1.2: A 209 ASN : amide:sc= 0.812 K(o=1.9,f=0.13) USER MOD Set 2.1: A 183 GLN : amide:sc= 0.677 X(o=1.4,f=1.6) USER MOD Set 2.2: A 220 TYR OH : rot -6:sc= 0.764 USER MOD Single : A 162 SER OG : rot 33:sc= 0.0549 USER MOD Single : A 167 ASN : amide:sc= 0.552 K(o=0.55,f=-0.13) USER MOD Single : A 169 THR OG1 : rot 120:sc= 1.05 USER MOD Single : A 170 TYR OH : rot 180:sc= 0.248 USER MOD Single : A 172 SER OG : rot -64:sc= 0.721 USER MOD Single : A 173 THR OG1 : rot -86:sc= 1.58 USER MOD Single : A 178 THR OG1 : rot 72:sc=0.000506 USER MOD Single : A 182 SER OG : rot -76:sc= 1.32 USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 MET CE :methyl 166:sc= -0.0087 (180deg=-0.256) USER MOD Single : A 204 THR OG1 : rot 180:sc= 0 USER MOD Single : A 210 SER OG : rot 180:sc= 0 USER MOD Single : A 219 GLN : amide:sc= 0.725 K(o=0.73,f=-0.0044) USER MOD Single : A 226 MET CE :methyl -174:sc= 0 (180deg=-0.0182) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 313 N SER A 162 50.890 18.304 8.910 1.00 0.00 N ATOM 314 CA SER A 162 51.765 17.295 9.528 1.00 0.00 C ATOM 315 C SER A 162 51.048 15.951 9.762 1.00 0.00 C ATOM 316 O SER A 162 49.854 15.799 9.496 1.00 0.00 O ATOM 317 CB SER A 162 52.304 17.860 10.860 1.00 0.00 C ATOM 318 OG SER A 162 53.074 19.034 10.648 1.00 0.00 O ATOM 0 HA SER A 162 52.586 17.088 8.841 1.00 0.00 H new ATOM 0 HB2 SER A 162 51.471 18.084 11.526 1.00 0.00 H new ATOM 0 HB3 SER A 162 52.915 17.106 11.357 1.00 0.00 H new ATOM 0 HG SER A 162 52.711 19.530 9.885 1.00 0.00 H new ATOM 324 N ILE A 163 51.789 14.948 10.246 1.00 0.00 N ATOM 325 CA ILE A 163 51.332 13.553 10.380 1.00 0.00 C ATOM 326 C ILE A 163 51.815 12.936 11.702 1.00 0.00 C ATOM 327 O ILE A 163 52.852 13.351 12.228 1.00 0.00 O ATOM 328 CB ILE A 163 51.803 12.720 9.161 1.00 0.00 C ATOM 329 CG1 ILE A 163 53.342 12.634 9.070 1.00 0.00 C ATOM 330 CG2 ILE A 163 51.270 13.292 7.834 1.00 0.00 C ATOM 331 CD1 ILE A 163 53.811 11.350 8.396 1.00 0.00 C ATOM 0 H ILE A 163 52.748 15.084 10.565 1.00 0.00 H new ATOM 0 HA ILE A 163 50.242 13.544 10.400 1.00 0.00 H new ATOM 0 HB ILE A 163 51.397 11.721 9.318 1.00 0.00 H new ATOM 0 HG12 ILE A 163 53.719 13.492 8.514 1.00 0.00 H new ATOM 0 HG13 ILE A 163 53.767 12.692 10.072 1.00 0.00 H new ATOM 0 HG21 ILE A 163 51.624 12.679 7.005 1.00 0.00 H new ATOM 0 HG22 ILE A 163 50.180 13.289 7.848 1.00 0.00 H new ATOM 0 HG23 ILE A 163 51.629 14.314 7.708 1.00 0.00 H new ATOM 0 HD11 ILE A 163 54.900 11.337 8.356 1.00 0.00 H new ATOM 0 HD12 ILE A 163 53.458 10.490 8.966 1.00 0.00 H new ATOM 0 HD13 ILE A 163 53.410 11.303 7.383 1.00 0.00 H new ATOM 343 N PHE A 164 51.089 11.933 12.207 1.00 0.00 N ATOM 344 CA PHE A 164 51.256 11.356 13.546 1.00 0.00 C ATOM 345 C PHE A 164 51.250 9.818 13.470 1.00 0.00 C ATOM 346 O PHE A 164 50.202 9.208 13.273 1.00 0.00 O ATOM 347 CB PHE A 164 50.134 11.880 14.467 1.00 0.00 C ATOM 348 CG PHE A 164 49.971 13.390 14.515 1.00 0.00 C ATOM 349 CD1 PHE A 164 49.164 14.043 13.561 1.00 0.00 C ATOM 350 CD2 PHE A 164 50.609 14.145 15.517 1.00 0.00 C ATOM 351 CE1 PHE A 164 49.018 15.440 13.594 1.00 0.00 C ATOM 352 CE2 PHE A 164 50.466 15.544 15.548 1.00 0.00 C ATOM 353 CZ PHE A 164 49.674 16.193 14.584 1.00 0.00 C ATOM 0 H PHE A 164 50.342 11.484 11.676 1.00 0.00 H new ATOM 0 HA PHE A 164 52.217 11.659 13.961 1.00 0.00 H new ATOM 0 HB2 PHE A 164 49.190 11.441 14.144 1.00 0.00 H new ATOM 0 HB3 PHE A 164 50.323 11.521 15.479 1.00 0.00 H new ATOM 0 HD1 PHE A 164 48.656 13.467 12.802 1.00 0.00 H new ATOM 0 HD2 PHE A 164 51.210 13.649 16.264 1.00 0.00 H new ATOM 0 HE1 PHE A 164 48.402 15.936 12.859 1.00 0.00 H new ATOM 0 HE2 PHE A 164 50.965 16.120 16.313 1.00 0.00 H new ATOM 0 HZ PHE A 164 49.570 17.268 14.604 1.00 0.00 H new ATOM 363 N VAL A 165 52.423 9.197 13.610 1.00 0.00 N ATOM 364 CA VAL A 165 52.664 7.745 13.502 1.00 0.00 C ATOM 365 C VAL A 165 52.490 7.103 14.886 1.00 0.00 C ATOM 366 O VAL A 165 53.194 7.473 15.827 1.00 0.00 O ATOM 367 CB VAL A 165 54.081 7.428 12.954 1.00 0.00 C ATOM 368 CG1 VAL A 165 54.183 5.944 12.570 1.00 0.00 C ATOM 369 CG2 VAL A 165 54.500 8.268 11.735 1.00 0.00 C ATOM 0 H VAL A 165 53.278 9.714 13.812 1.00 0.00 H new ATOM 0 HA VAL A 165 51.942 7.335 12.797 1.00 0.00 H new ATOM 0 HB VAL A 165 54.759 7.683 13.768 1.00 0.00 H new ATOM 0 HG11 VAL A 165 55.182 5.735 12.187 1.00 0.00 H new ATOM 0 HG12 VAL A 165 53.995 5.327 13.449 1.00 0.00 H new ATOM 0 HG13 VAL A 165 53.445 5.715 11.801 1.00 0.00 H new ATOM 0 HG21 VAL A 165 55.503 7.978 11.421 1.00 0.00 H new ATOM 0 HG22 VAL A 165 53.800 8.097 10.917 1.00 0.00 H new ATOM 0 HG23 VAL A 165 54.494 9.325 12.002 1.00 0.00 H new ATOM 379 N GLY A 166 51.550 6.159 15.011 1.00 0.00 N ATOM 380 CA GLY A 166 51.082 5.618 16.300 1.00 0.00 C ATOM 381 C GLY A 166 51.432 4.156 16.609 1.00 0.00 C ATOM 382 O GLY A 166 51.144 3.709 17.717 1.00 0.00 O ATOM 0 H GLY A 166 51.083 5.740 14.207 1.00 0.00 H new ATOM 0 HA2 GLY A 166 51.490 6.240 17.097 1.00 0.00 H new ATOM 0 HA3 GLY A 166 49.998 5.722 16.338 1.00 0.00 H new ATOM 386 N ASN A 167 52.029 3.402 15.671 1.00 0.00 N ATOM 387 CA ASN A 167 52.217 1.938 15.816 1.00 0.00 C ATOM 388 C ASN A 167 53.495 1.373 15.147 1.00 0.00 C ATOM 389 O ASN A 167 53.555 0.196 14.798 1.00 0.00 O ATOM 390 CB ASN A 167 50.934 1.229 15.329 1.00 0.00 C ATOM 391 CG ASN A 167 50.799 -0.191 15.882 1.00 0.00 C ATOM 392 OD1 ASN A 167 50.639 -0.392 17.079 1.00 0.00 O ATOM 393 ND2 ASN A 167 50.842 -1.208 15.039 1.00 0.00 N ATOM 0 H ASN A 167 52.394 3.780 14.797 1.00 0.00 H new ATOM 0 HA ASN A 167 52.383 1.733 16.874 1.00 0.00 H new ATOM 0 HB2 ASN A 167 50.064 1.815 15.627 1.00 0.00 H new ATOM 0 HB3 ASN A 167 50.935 1.192 14.240 1.00 0.00 H new ATOM 0 HD21 ASN A 167 50.742 -2.162 15.385 1.00 0.00 H new ATOM 0 HD22 ASN A 167 50.975 -1.039 14.042 1.00 0.00 H new ATOM 400 N LEU A 168 54.512 2.210 14.905 1.00 0.00 N ATOM 401 CA LEU A 168 55.778 1.793 14.266 1.00 0.00 C ATOM 402 C LEU A 168 56.663 0.927 15.196 1.00 0.00 C ATOM 403 O LEU A 168 56.282 0.628 16.331 1.00 0.00 O ATOM 404 CB LEU A 168 56.509 3.050 13.715 1.00 0.00 C ATOM 405 CG LEU A 168 56.763 4.247 14.668 1.00 0.00 C ATOM 406 CD1 LEU A 168 57.464 3.898 15.987 1.00 0.00 C ATOM 407 CD2 LEU A 168 57.612 5.297 13.940 1.00 0.00 C ATOM 0 H LEU A 168 54.485 3.201 15.146 1.00 0.00 H new ATOM 0 HA LEU A 168 55.549 1.136 13.427 1.00 0.00 H new ATOM 0 HB2 LEU A 168 57.475 2.726 13.328 1.00 0.00 H new ATOM 0 HB3 LEU A 168 55.934 3.420 12.867 1.00 0.00 H new ATOM 0 HG LEU A 168 55.773 4.615 14.936 1.00 0.00 H new ATOM 0 HD11 LEU A 168 57.594 4.803 16.580 1.00 0.00 H new ATOM 0 HD12 LEU A 168 56.857 3.183 16.543 1.00 0.00 H new ATOM 0 HD13 LEU A 168 58.439 3.459 15.776 1.00 0.00 H new ATOM 0 HD21 LEU A 168 57.794 6.142 14.604 1.00 0.00 H new ATOM 0 HD22 LEU A 168 58.564 4.855 13.645 1.00 0.00 H new ATOM 0 HD23 LEU A 168 57.082 5.642 13.052 1.00 0.00 H new ATOM 419 N THR A 169 57.851 0.536 14.715 1.00 0.00 N ATOM 420 CA THR A 169 58.892 -0.145 15.507 1.00 0.00 C ATOM 421 C THR A 169 59.757 0.904 16.188 1.00 0.00 C ATOM 422 O THR A 169 60.407 1.705 15.519 1.00 0.00 O ATOM 423 CB THR A 169 59.750 -1.047 14.615 1.00 0.00 C ATOM 424 OG1 THR A 169 58.901 -1.968 13.981 1.00 0.00 O ATOM 425 CG2 THR A 169 60.768 -1.856 15.422 1.00 0.00 C ATOM 0 H THR A 169 58.124 0.686 13.744 1.00 0.00 H new ATOM 0 HA THR A 169 58.418 -0.775 16.259 1.00 0.00 H new ATOM 0 HB THR A 169 60.285 -0.410 13.911 1.00 0.00 H new ATOM 0 HG1 THR A 169 58.973 -1.864 13.009 1.00 0.00 H new ATOM 0 HG21 THR A 169 61.353 -2.481 14.747 1.00 0.00 H new ATOM 0 HG22 THR A 169 61.432 -1.176 15.955 1.00 0.00 H new ATOM 0 HG23 THR A 169 60.244 -2.488 16.139 1.00 0.00 H new ATOM 433 N TYR A 170 59.784 0.897 17.519 1.00 0.00 N ATOM 434 CA TYR A 170 60.392 1.967 18.329 1.00 0.00 C ATOM 435 C TYR A 170 61.933 2.060 18.232 1.00 0.00 C ATOM 436 O TYR A 170 62.526 3.029 18.708 1.00 0.00 O ATOM 437 CB TYR A 170 59.925 1.817 19.786 1.00 0.00 C ATOM 438 CG TYR A 170 58.416 1.741 19.959 1.00 0.00 C ATOM 439 CD1 TYR A 170 57.600 2.802 19.523 1.00 0.00 C ATOM 440 CD2 TYR A 170 57.825 0.596 20.531 1.00 0.00 C ATOM 441 CE1 TYR A 170 56.199 2.723 19.649 1.00 0.00 C ATOM 442 CE2 TYR A 170 56.425 0.511 20.662 1.00 0.00 C ATOM 443 CZ TYR A 170 55.607 1.576 20.222 1.00 0.00 C ATOM 444 OH TYR A 170 54.251 1.482 20.327 1.00 0.00 O ATOM 0 H TYR A 170 59.382 0.144 18.077 1.00 0.00 H new ATOM 0 HA TYR A 170 60.045 2.913 17.914 1.00 0.00 H new ATOM 0 HB2 TYR A 170 60.372 0.916 20.207 1.00 0.00 H new ATOM 0 HB3 TYR A 170 60.302 2.660 20.364 1.00 0.00 H new ATOM 0 HD1 TYR A 170 58.051 3.682 19.089 1.00 0.00 H new ATOM 0 HD2 TYR A 170 58.448 -0.219 20.870 1.00 0.00 H new ATOM 0 HE1 TYR A 170 55.579 3.539 19.308 1.00 0.00 H new ATOM 0 HE2 TYR A 170 55.976 -0.369 21.099 1.00 0.00 H new ATOM 0 HH TYR A 170 54.014 0.627 20.744 1.00 0.00 H new ATOM 454 N ASP A 171 62.581 1.090 17.576 1.00 0.00 N ATOM 455 CA ASP A 171 63.994 1.141 17.177 1.00 0.00 C ATOM 456 C ASP A 171 64.249 2.080 15.971 1.00 0.00 C ATOM 457 O ASP A 171 65.395 2.437 15.692 1.00 0.00 O ATOM 458 CB ASP A 171 64.468 -0.290 16.883 1.00 0.00 C ATOM 459 CG ASP A 171 65.991 -0.381 16.695 1.00 0.00 C ATOM 460 OD1 ASP A 171 66.734 -0.075 17.658 1.00 0.00 O ATOM 461 OD2 ASP A 171 66.440 -0.800 15.601 1.00 0.00 O ATOM 0 H ASP A 171 62.123 0.221 17.299 1.00 0.00 H new ATOM 0 HA ASP A 171 64.570 1.566 17.999 1.00 0.00 H new ATOM 0 HB2 ASP A 171 64.167 -0.944 17.701 1.00 0.00 H new ATOM 0 HB3 ASP A 171 63.972 -0.656 15.984 1.00 0.00 H new ATOM 466 N SER A 172 63.197 2.517 15.269 1.00 0.00 N ATOM 467 CA SER A 172 63.288 3.518 14.200 1.00 0.00 C ATOM 468 C SER A 172 63.835 4.864 14.704 1.00 0.00 C ATOM 469 O SER A 172 63.426 5.373 15.755 1.00 0.00 O ATOM 470 CB SER A 172 61.904 3.760 13.577 1.00 0.00 C ATOM 471 OG SER A 172 61.981 4.574 12.415 1.00 0.00 O ATOM 0 H SER A 172 62.247 2.181 15.429 1.00 0.00 H new ATOM 0 HA SER A 172 63.980 3.119 13.458 1.00 0.00 H new ATOM 0 HB2 SER A 172 61.449 2.803 13.321 1.00 0.00 H new ATOM 0 HB3 SER A 172 61.254 4.236 14.311 1.00 0.00 H new ATOM 0 HG SER A 172 62.301 5.467 12.662 1.00 0.00 H new ATOM 477 N THR A 173 64.708 5.482 13.901 1.00 0.00 N ATOM 478 CA THR A 173 65.059 6.908 14.006 1.00 0.00 C ATOM 479 C THR A 173 63.969 7.751 13.315 1.00 0.00 C ATOM 480 O THR A 173 63.156 7.186 12.571 1.00 0.00 O ATOM 481 CB THR A 173 66.442 7.171 13.380 1.00 0.00 C ATOM 482 OG1 THR A 173 66.345 7.001 11.992 1.00 0.00 O ATOM 483 CG2 THR A 173 67.543 6.253 13.913 1.00 0.00 C ATOM 0 H THR A 173 65.199 5.001 13.148 1.00 0.00 H new ATOM 0 HA THR A 173 65.113 7.193 15.057 1.00 0.00 H new ATOM 0 HB THR A 173 66.724 8.189 13.649 1.00 0.00 H new ATOM 0 HG1 THR A 173 66.475 6.056 11.768 1.00 0.00 H new ATOM 0 HG21 THR A 173 68.487 6.497 13.427 1.00 0.00 H new ATOM 0 HG22 THR A 173 67.643 6.392 14.990 1.00 0.00 H new ATOM 0 HG23 THR A 173 67.284 5.215 13.703 1.00 0.00 H new ATOM 491 N PRO A 174 63.959 9.089 13.480 1.00 0.00 N ATOM 492 CA PRO A 174 63.202 9.976 12.601 1.00 0.00 C ATOM 493 C PRO A 174 63.818 10.095 11.197 1.00 0.00 C ATOM 494 O PRO A 174 63.103 10.451 10.266 1.00 0.00 O ATOM 495 CB PRO A 174 63.176 11.327 13.317 1.00 0.00 C ATOM 496 CG PRO A 174 64.464 11.327 14.138 1.00 0.00 C ATOM 497 CD PRO A 174 64.615 9.857 14.535 1.00 0.00 C ATOM 0 HA PRO A 174 62.200 9.583 12.426 1.00 0.00 H new ATOM 0 HB2 PRO A 174 63.153 12.155 12.609 1.00 0.00 H new ATOM 0 HB3 PRO A 174 62.296 11.426 13.953 1.00 0.00 H new ATOM 0 HG2 PRO A 174 65.315 11.678 13.554 1.00 0.00 H new ATOM 0 HG3 PRO A 174 64.387 11.976 15.011 1.00 0.00 H new ATOM 0 HD2 PRO A 174 65.666 9.582 14.623 1.00 0.00 H new ATOM 0 HD3 PRO A 174 64.153 9.664 15.503 1.00 0.00 H new ATOM 505 N GLU A 175 65.107 9.774 11.012 1.00 0.00 N ATOM 506 CA GLU A 175 65.764 9.772 9.697 1.00 0.00 C ATOM 507 C GLU A 175 65.236 8.637 8.798 1.00 0.00 C ATOM 508 O GLU A 175 65.066 8.819 7.591 1.00 0.00 O ATOM 509 CB GLU A 175 67.284 9.647 9.888 1.00 0.00 C ATOM 510 CG GLU A 175 68.058 9.929 8.597 1.00 0.00 C ATOM 511 CD GLU A 175 69.572 9.923 8.853 1.00 0.00 C ATOM 512 OE1 GLU A 175 70.138 10.993 9.183 1.00 0.00 O ATOM 513 OE2 GLU A 175 70.212 8.853 8.714 1.00 0.00 O ATOM 0 H GLU A 175 65.727 9.507 11.776 1.00 0.00 H new ATOM 0 HA GLU A 175 65.534 10.712 9.195 1.00 0.00 H new ATOM 0 HB2 GLU A 175 67.609 10.342 10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 175 67.522 8.643 10.240 1.00 0.00 H new ATOM 0 HG2 GLU A 175 67.809 9.178 7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 175 67.758 10.895 8.192 1.00 0.00 H new ATOM 520 N ASP A 176 64.922 7.482 9.394 1.00 0.00 N ATOM 521 CA ASP A 176 64.229 6.376 8.729 1.00 0.00 C ATOM 522 C ASP A 176 62.843 6.808 8.212 1.00 0.00 C ATOM 523 O ASP A 176 62.466 6.433 7.099 1.00 0.00 O ATOM 524 CB ASP A 176 64.062 5.203 9.707 1.00 0.00 C ATOM 525 CG ASP A 176 65.383 4.551 10.139 1.00 0.00 C ATOM 526 OD1 ASP A 176 66.114 4.025 9.267 1.00 0.00 O ATOM 527 OD2 ASP A 176 65.668 4.551 11.363 1.00 0.00 O ATOM 0 H ASP A 176 65.147 7.287 10.370 1.00 0.00 H new ATOM 0 HA ASP A 176 64.834 6.069 7.876 1.00 0.00 H new ATOM 0 HB2 ASP A 176 63.537 5.556 10.594 1.00 0.00 H new ATOM 0 HB3 ASP A 176 63.430 4.445 9.244 1.00 0.00 H new ATOM 532 N LEU A 177 62.110 7.637 8.978 1.00 0.00 N ATOM 533 CA LEU A 177 60.853 8.234 8.518 1.00 0.00 C ATOM 534 C LEU A 177 61.096 9.287 7.433 1.00 0.00 C ATOM 535 O LEU A 177 60.354 9.291 6.456 1.00 0.00 O ATOM 536 CB LEU A 177 60.038 8.843 9.676 1.00 0.00 C ATOM 537 CG LEU A 177 59.503 7.853 10.726 1.00 0.00 C ATOM 538 CD1 LEU A 177 58.618 8.628 11.716 1.00 0.00 C ATOM 539 CD2 LEU A 177 58.708 6.684 10.125 1.00 0.00 C ATOM 0 H LEU A 177 62.374 7.907 9.925 1.00 0.00 H new ATOM 0 HA LEU A 177 60.266 7.422 8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 177 60.662 9.578 10.185 1.00 0.00 H new ATOM 0 HB3 LEU A 177 59.191 9.383 9.252 1.00 0.00 H new ATOM 0 HG LEU A 177 60.365 7.407 11.222 1.00 0.00 H new ATOM 0 HD11 LEU A 177 58.229 7.943 12.469 1.00 0.00 H new ATOM 0 HD12 LEU A 177 59.209 9.404 12.202 1.00 0.00 H new ATOM 0 HD13 LEU A 177 57.788 9.087 11.179 1.00 0.00 H new ATOM 0 HD21 LEU A 177 58.363 6.029 10.925 1.00 0.00 H new ATOM 0 HD22 LEU A 177 57.849 7.072 9.578 1.00 0.00 H new ATOM 0 HD23 LEU A 177 59.347 6.121 9.445 1.00 0.00 H new ATOM 551 N THR A 178 62.126 10.138 7.549 1.00 0.00 N ATOM 552 CA THR A 178 62.481 11.125 6.514 1.00 0.00 C ATOM 553 C THR A 178 62.728 10.438 5.179 1.00 0.00 C ATOM 554 O THR A 178 62.116 10.829 4.187 1.00 0.00 O ATOM 555 CB THR A 178 63.682 11.975 6.943 1.00 0.00 C ATOM 556 OG1 THR A 178 63.244 12.838 7.964 1.00 0.00 O ATOM 557 CG2 THR A 178 64.238 12.837 5.805 1.00 0.00 C ATOM 0 H THR A 178 62.739 10.163 8.364 1.00 0.00 H new ATOM 0 HA THR A 178 61.637 11.803 6.388 1.00 0.00 H new ATOM 0 HB THR A 178 64.476 11.301 7.265 1.00 0.00 H new ATOM 0 HG1 THR A 178 63.092 12.324 8.784 1.00 0.00 H new ATOM 0 HG21 THR A 178 65.087 13.416 6.169 1.00 0.00 H new ATOM 0 HG22 THR A 178 64.562 12.194 4.986 1.00 0.00 H new ATOM 0 HG23 THR A 178 63.462 13.515 5.449 1.00 0.00 H new ATOM 565 N GLU A 179 63.569 9.403 5.147 1.00 0.00 N ATOM 566 CA GLU A 179 63.869 8.660 3.921 1.00 0.00 C ATOM 567 C GLU A 179 62.595 8.056 3.299 1.00 0.00 C ATOM 568 O GLU A 179 62.351 8.224 2.102 1.00 0.00 O ATOM 569 CB GLU A 179 64.923 7.581 4.221 1.00 0.00 C ATOM 570 CG GLU A 179 65.410 6.885 2.945 1.00 0.00 C ATOM 571 CD GLU A 179 66.570 5.925 3.246 1.00 0.00 C ATOM 572 OE1 GLU A 179 66.315 4.740 3.568 1.00 0.00 O ATOM 573 OE2 GLU A 179 67.748 6.344 3.144 1.00 0.00 O ATOM 0 H GLU A 179 64.062 9.056 5.970 1.00 0.00 H new ATOM 0 HA GLU A 179 64.276 9.350 3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 179 65.771 8.035 4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 179 64.501 6.840 4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 179 64.586 6.334 2.491 1.00 0.00 H new ATOM 0 HG3 GLU A 179 65.732 7.632 2.220 1.00 0.00 H new ATOM 580 N PHE A 180 61.751 7.423 4.118 1.00 0.00 N ATOM 581 CA PHE A 180 60.487 6.803 3.721 1.00 0.00 C ATOM 582 C PHE A 180 59.474 7.820 3.155 1.00 0.00 C ATOM 583 O PHE A 180 58.986 7.645 2.037 1.00 0.00 O ATOM 584 CB PHE A 180 59.965 6.079 4.968 1.00 0.00 C ATOM 585 CG PHE A 180 58.625 5.388 4.858 1.00 0.00 C ATOM 586 CD1 PHE A 180 58.523 4.143 4.209 1.00 0.00 C ATOM 587 CD2 PHE A 180 57.511 5.920 5.535 1.00 0.00 C ATOM 588 CE1 PHE A 180 57.327 3.407 4.289 1.00 0.00 C ATOM 589 CE2 PHE A 180 56.313 5.191 5.601 1.00 0.00 C ATOM 590 CZ PHE A 180 56.231 3.923 5.001 1.00 0.00 C ATOM 0 H PHE A 180 61.938 7.325 5.116 1.00 0.00 H new ATOM 0 HA PHE A 180 60.639 6.103 2.899 1.00 0.00 H new ATOM 0 HB2 PHE A 180 60.705 5.335 5.261 1.00 0.00 H new ATOM 0 HB3 PHE A 180 59.905 6.805 5.779 1.00 0.00 H new ATOM 0 HD1 PHE A 180 59.362 3.754 3.651 1.00 0.00 H new ATOM 0 HD2 PHE A 180 57.578 6.890 6.004 1.00 0.00 H new ATOM 0 HE1 PHE A 180 57.251 2.445 3.803 1.00 0.00 H new ATOM 0 HE2 PHE A 180 55.456 5.604 6.112 1.00 0.00 H new ATOM 0 HZ PHE A 180 55.324 3.344 5.087 1.00 0.00 H new ATOM 600 N PHE A 181 59.194 8.901 3.893 1.00 0.00 N ATOM 601 CA PHE A 181 58.268 9.969 3.502 1.00 0.00 C ATOM 602 C PHE A 181 58.789 10.874 2.365 1.00 0.00 C ATOM 603 O PHE A 181 57.988 11.527 1.695 1.00 0.00 O ATOM 604 CB PHE A 181 57.844 10.756 4.759 1.00 0.00 C ATOM 605 CG PHE A 181 56.792 10.039 5.599 1.00 0.00 C ATOM 606 CD1 PHE A 181 55.490 9.879 5.085 1.00 0.00 C ATOM 607 CD2 PHE A 181 57.094 9.521 6.877 1.00 0.00 C ATOM 608 CE1 PHE A 181 54.513 9.185 5.821 1.00 0.00 C ATOM 609 CE2 PHE A 181 56.116 8.818 7.607 1.00 0.00 C ATOM 610 CZ PHE A 181 54.830 8.634 7.072 1.00 0.00 C ATOM 0 H PHE A 181 59.619 9.061 4.806 1.00 0.00 H new ATOM 0 HA PHE A 181 57.386 9.501 3.064 1.00 0.00 H new ATOM 0 HB2 PHE A 181 58.724 10.943 5.375 1.00 0.00 H new ATOM 0 HB3 PHE A 181 57.455 11.728 4.456 1.00 0.00 H new ATOM 0 HD1 PHE A 181 55.240 10.292 4.119 1.00 0.00 H new ATOM 0 HD2 PHE A 181 58.079 9.664 7.297 1.00 0.00 H new ATOM 0 HE1 PHE A 181 53.515 9.076 5.422 1.00 0.00 H new ATOM 0 HE2 PHE A 181 56.355 8.419 8.582 1.00 0.00 H new ATOM 0 HZ PHE A 181 54.089 8.071 7.621 1.00 0.00 H new ATOM 620 N SER A 182 60.099 10.888 2.081 1.00 0.00 N ATOM 621 CA SER A 182 60.705 11.740 1.032 1.00 0.00 C ATOM 622 C SER A 182 60.249 11.430 -0.412 1.00 0.00 C ATOM 623 O SER A 182 60.414 12.268 -1.301 1.00 0.00 O ATOM 624 CB SER A 182 62.245 11.679 1.086 1.00 0.00 C ATOM 625 OG SER A 182 62.778 10.434 0.648 1.00 0.00 O ATOM 0 H SER A 182 60.778 10.307 2.573 1.00 0.00 H new ATOM 0 HA SER A 182 60.343 12.741 1.266 1.00 0.00 H new ATOM 0 HB2 SER A 182 62.655 12.478 0.468 1.00 0.00 H new ATOM 0 HB3 SER A 182 62.573 11.866 2.109 1.00 0.00 H new ATOM 0 HG SER A 182 62.647 9.758 1.346 1.00 0.00 H new ATOM 631 N GLN A 183 59.647 10.256 -0.652 1.00 0.00 N ATOM 632 CA GLN A 183 59.231 9.783 -1.983 1.00 0.00 C ATOM 633 C GLN A 183 58.116 10.641 -2.617 1.00 0.00 C ATOM 634 O GLN A 183 57.925 10.613 -3.834 1.00 0.00 O ATOM 635 CB GLN A 183 58.713 8.344 -1.862 1.00 0.00 C ATOM 636 CG GLN A 183 59.761 7.357 -1.330 1.00 0.00 C ATOM 637 CD GLN A 183 59.201 5.939 -1.223 1.00 0.00 C ATOM 638 OE1 GLN A 183 58.088 5.697 -0.765 1.00 0.00 O ATOM 639 NE2 GLN A 183 59.954 4.951 -1.662 1.00 0.00 N ATOM 0 H GLN A 183 59.430 9.592 0.091 1.00 0.00 H new ATOM 0 HA GLN A 183 60.107 9.851 -2.627 1.00 0.00 H new ATOM 0 HB2 GLN A 183 57.847 8.333 -1.201 1.00 0.00 H new ATOM 0 HB3 GLN A 183 58.371 8.006 -2.840 1.00 0.00 H new ATOM 0 HG2 GLN A 183 60.628 7.357 -1.990 1.00 0.00 H new ATOM 0 HG3 GLN A 183 60.106 7.686 -0.350 1.00 0.00 H new ATOM 0 HE21 GLN A 183 60.880 5.146 -2.044 1.00 0.00 H new ATOM 0 HE22 GLN A 183 59.611 3.991 -1.620 1.00 0.00 H new ATOM 648 N ILE A 184 57.360 11.381 -1.797 1.00 0.00 N ATOM 649 CA ILE A 184 56.111 12.062 -2.192 1.00 0.00 C ATOM 650 C ILE A 184 56.354 13.500 -2.699 1.00 0.00 C ATOM 651 O ILE A 184 55.497 14.079 -3.374 1.00 0.00 O ATOM 652 CB ILE A 184 55.122 11.997 -0.997 1.00 0.00 C ATOM 653 CG1 ILE A 184 54.914 10.558 -0.459 1.00 0.00 C ATOM 654 CG2 ILE A 184 53.752 12.619 -1.327 1.00 0.00 C ATOM 655 CD1 ILE A 184 54.286 9.566 -1.448 1.00 0.00 C ATOM 0 H ILE A 184 57.601 11.529 -0.817 1.00 0.00 H new ATOM 0 HA ILE A 184 55.670 11.547 -3.045 1.00 0.00 H new ATOM 0 HB ILE A 184 55.597 12.590 -0.215 1.00 0.00 H new ATOM 0 HG12 ILE A 184 55.880 10.165 -0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 184 54.283 10.608 0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 184 53.100 12.546 -0.456 1.00 0.00 H new ATOM 0 HG22 ILE A 184 53.883 13.667 -1.595 1.00 0.00 H new ATOM 0 HG23 ILE A 184 53.301 12.084 -2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 184 54.185 8.591 -0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 184 53.302 9.926 -1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 184 54.924 9.475 -2.327 1.00 0.00 H new ATOM 667 N GLY A 185 57.534 14.069 -2.423 1.00 0.00 N ATOM 668 CA GLY A 185 57.906 15.447 -2.764 1.00 0.00 C ATOM 669 C GLY A 185 59.112 15.927 -1.964 1.00 0.00 C ATOM 670 O GLY A 185 60.254 15.735 -2.384 1.00 0.00 O ATOM 0 H GLY A 185 58.279 13.567 -1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 185 58.129 15.509 -3.829 1.00 0.00 H new ATOM 0 HA3 GLY A 185 57.060 16.108 -2.576 1.00 0.00 H new ATOM 674 N LYS A 186 58.853 16.541 -0.804 1.00 0.00 N ATOM 675 CA LYS A 186 59.872 17.061 0.125 1.00 0.00 C ATOM 676 C LYS A 186 59.328 17.142 1.570 1.00 0.00 C ATOM 677 O LYS A 186 58.186 17.555 1.780 1.00 0.00 O ATOM 678 CB LYS A 186 60.375 18.424 -0.410 1.00 0.00 C ATOM 679 CG LYS A 186 61.655 18.919 0.290 1.00 0.00 C ATOM 680 CD LYS A 186 62.373 20.020 -0.513 1.00 0.00 C ATOM 681 CE LYS A 186 61.588 21.338 -0.636 1.00 0.00 C ATOM 682 NZ LYS A 186 61.692 22.179 0.591 1.00 0.00 N ATOM 0 H LYS A 186 57.901 16.696 -0.473 1.00 0.00 H new ATOM 0 HA LYS A 186 60.719 16.377 0.174 1.00 0.00 H new ATOM 0 HB2 LYS A 186 60.564 18.339 -1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 186 59.589 19.169 -0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 186 61.401 19.301 1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 186 62.334 18.079 0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 186 63.334 20.227 -0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 186 62.584 19.643 -1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 186 61.961 21.901 -1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 186 60.539 21.116 -0.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 61.147 23.055 0.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 61.312 21.654 1.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 62.690 22.415 0.766 1.00 0.00 H new ATOM 696 N VAL A 187 60.140 16.750 2.561 1.00 0.00 N ATOM 697 CA VAL A 187 59.770 16.701 3.995 1.00 0.00 C ATOM 698 C VAL A 187 60.565 17.767 4.769 1.00 0.00 C ATOM 699 O VAL A 187 61.706 18.051 4.408 1.00 0.00 O ATOM 700 CB VAL A 187 59.947 15.265 4.551 1.00 0.00 C ATOM 701 CG1 VAL A 187 61.256 14.983 5.292 1.00 0.00 C ATOM 702 CG2 VAL A 187 58.802 14.933 5.499 1.00 0.00 C ATOM 0 H VAL A 187 61.099 16.449 2.390 1.00 0.00 H new ATOM 0 HA VAL A 187 58.714 16.941 4.122 1.00 0.00 H new ATOM 0 HB VAL A 187 59.960 14.639 3.658 1.00 0.00 H new ATOM 0 HG11 VAL A 187 61.265 13.948 5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 187 62.098 15.150 4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 187 61.339 15.649 6.151 1.00 0.00 H new ATOM 0 HG21 VAL A 187 58.932 13.923 5.887 1.00 0.00 H new ATOM 0 HG22 VAL A 187 58.798 15.642 6.327 1.00 0.00 H new ATOM 0 HG23 VAL A 187 57.855 14.997 4.963 1.00 0.00 H new ATOM 712 N VAL A 188 59.963 18.391 5.789 1.00 0.00 N ATOM 713 CA VAL A 188 60.435 19.683 6.338 1.00 0.00 C ATOM 714 C VAL A 188 61.042 19.529 7.741 1.00 0.00 C ATOM 715 O VAL A 188 62.032 20.188 8.055 1.00 0.00 O ATOM 716 CB VAL A 188 59.287 20.727 6.342 1.00 0.00 C ATOM 717 CG1 VAL A 188 59.806 22.169 6.380 1.00 0.00 C ATOM 718 CG2 VAL A 188 58.454 20.638 5.058 1.00 0.00 C ATOM 0 H VAL A 188 59.137 18.022 6.261 1.00 0.00 H new ATOM 0 HA VAL A 188 61.230 20.042 5.685 1.00 0.00 H new ATOM 0 HB VAL A 188 58.702 20.498 7.233 1.00 0.00 H new ATOM 0 HG11 VAL A 188 58.962 22.859 6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 188 60.399 22.319 7.282 1.00 0.00 H new ATOM 0 HG13 VAL A 188 60.426 22.356 5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 188 57.657 21.381 5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 188 59.093 20.827 4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 188 58.018 19.642 4.975 1.00 0.00 H new ATOM 728 N ARG A 189 60.491 18.606 8.543 1.00 0.00 N ATOM 729 CA ARG A 189 60.937 18.212 9.891 1.00 0.00 C ATOM 730 C ARG A 189 60.450 16.785 10.190 1.00 0.00 C ATOM 731 O ARG A 189 59.410 16.381 9.670 1.00 0.00 O ATOM 732 CB ARG A 189 60.363 19.160 10.966 1.00 0.00 C ATOM 733 CG ARG A 189 60.942 20.583 10.968 1.00 0.00 C ATOM 734 CD ARG A 189 60.427 21.379 12.175 1.00 0.00 C ATOM 735 NE ARG A 189 60.976 22.748 12.188 1.00 0.00 N ATOM 736 CZ ARG A 189 60.691 23.702 13.069 1.00 0.00 C ATOM 737 NH1 ARG A 189 59.860 23.501 14.073 1.00 0.00 N ATOM 738 NH2 ARG A 189 61.247 24.888 12.950 1.00 0.00 N ATOM 0 H ARG A 189 59.668 18.079 8.250 1.00 0.00 H new ATOM 0 HA ARG A 189 62.025 18.264 9.917 1.00 0.00 H new ATOM 0 HB2 ARG A 189 59.284 19.226 10.829 1.00 0.00 H new ATOM 0 HB3 ARG A 189 60.534 18.715 11.946 1.00 0.00 H new ATOM 0 HG2 ARG A 189 62.031 20.537 10.994 1.00 0.00 H new ATOM 0 HG3 ARG A 189 60.667 21.094 10.045 1.00 0.00 H new ATOM 0 HD2 ARG A 189 59.338 21.422 12.147 1.00 0.00 H new ATOM 0 HD3 ARG A 189 60.702 20.866 13.096 1.00 0.00 H new ATOM 0 HE ARG A 189 61.638 22.986 11.450 1.00 0.00 H new ATOM 0 HH11 ARG A 189 59.414 22.591 14.191 1.00 0.00 H new ATOM 0 HH12 ARG A 189 59.663 24.255 14.731 1.00 0.00 H new ATOM 0 HH21 ARG A 189 61.894 25.073 12.184 1.00 0.00 H new ATOM 0 HH22 ARG A 189 61.031 25.623 13.624 1.00 0.00 H new ATOM 752 N ALA A 190 61.153 16.063 11.063 1.00 0.00 N ATOM 753 CA ALA A 190 60.780 14.739 11.578 1.00 0.00 C ATOM 754 C ALA A 190 61.344 14.505 12.994 1.00 0.00 C ATOM 755 O ALA A 190 62.446 14.961 13.312 1.00 0.00 O ATOM 756 CB ALA A 190 61.274 13.664 10.599 1.00 0.00 C ATOM 0 H ALA A 190 62.036 16.396 11.449 1.00 0.00 H new ATOM 0 HA ALA A 190 59.694 14.682 11.659 1.00 0.00 H new ATOM 0 HB1 ALA A 190 61.001 12.678 10.974 1.00 0.00 H new ATOM 0 HB2 ALA A 190 60.814 13.821 9.623 1.00 0.00 H new ATOM 0 HB3 ALA A 190 62.358 13.729 10.504 1.00 0.00 H new ATOM 762 N ASP A 191 60.600 13.781 13.831 1.00 0.00 N ATOM 763 CA ASP A 191 60.939 13.462 15.225 1.00 0.00 C ATOM 764 C ASP A 191 60.222 12.184 15.702 1.00 0.00 C ATOM 765 O ASP A 191 59.174 11.813 15.174 1.00 0.00 O ATOM 766 CB ASP A 191 60.597 14.660 16.132 1.00 0.00 C ATOM 767 CG ASP A 191 61.059 14.452 17.585 1.00 0.00 C ATOM 768 OD1 ASP A 191 62.193 13.955 17.790 1.00 0.00 O ATOM 769 OD2 ASP A 191 60.291 14.797 18.513 1.00 0.00 O ATOM 0 H ASP A 191 59.705 13.382 13.547 1.00 0.00 H new ATOM 0 HA ASP A 191 62.010 13.269 15.284 1.00 0.00 H new ATOM 0 HB2 ASP A 191 61.064 15.560 15.731 1.00 0.00 H new ATOM 0 HB3 ASP A 191 59.520 14.827 16.117 1.00 0.00 H new ATOM 774 N ILE A 192 60.775 11.509 16.715 1.00 0.00 N ATOM 775 CA ILE A 192 60.153 10.367 17.409 1.00 0.00 C ATOM 776 C ILE A 192 60.400 10.534 18.914 1.00 0.00 C ATOM 777 O ILE A 192 61.544 10.684 19.348 1.00 0.00 O ATOM 778 CB ILE A 192 60.646 8.997 16.862 1.00 0.00 C ATOM 779 CG1 ILE A 192 60.345 8.857 15.345 1.00 0.00 C ATOM 780 CG2 ILE A 192 59.999 7.849 17.667 1.00 0.00 C ATOM 781 CD1 ILE A 192 60.471 7.456 14.736 1.00 0.00 C ATOM 0 H ILE A 192 61.694 11.746 17.089 1.00 0.00 H new ATOM 0 HA ILE A 192 59.080 10.364 17.220 1.00 0.00 H new ATOM 0 HB ILE A 192 61.728 8.942 16.983 1.00 0.00 H new ATOM 0 HG12 ILE A 192 59.331 9.214 15.167 1.00 0.00 H new ATOM 0 HG13 ILE A 192 61.017 9.523 14.804 1.00 0.00 H new ATOM 0 HG21 ILE A 192 60.348 6.892 17.280 1.00 0.00 H new ATOM 0 HG22 ILE A 192 60.277 7.939 18.717 1.00 0.00 H new ATOM 0 HG23 ILE A 192 58.914 7.905 17.573 1.00 0.00 H new ATOM 0 HD11 ILE A 192 60.234 7.499 13.673 1.00 0.00 H new ATOM 0 HD12 ILE A 192 61.490 7.093 14.866 1.00 0.00 H new ATOM 0 HD13 ILE A 192 59.778 6.779 15.235 1.00 0.00 H new ATOM 933 N MET A 202 55.646 7.694 19.914 1.00 0.00 N ATOM 934 CA MET A 202 55.005 8.301 18.737 1.00 0.00 C ATOM 935 C MET A 202 56.033 8.986 17.828 1.00 0.00 C ATOM 936 O MET A 202 56.956 9.646 18.311 1.00 0.00 O ATOM 937 CB MET A 202 53.925 9.308 19.161 1.00 0.00 C ATOM 938 CG MET A 202 52.707 8.610 19.783 1.00 0.00 C ATOM 939 SD MET A 202 51.331 9.715 20.209 1.00 0.00 S ATOM 940 CE MET A 202 50.800 10.225 18.551 1.00 0.00 C ATOM 0 HA MET A 202 54.534 7.496 18.173 1.00 0.00 H new ATOM 0 HB2 MET A 202 54.346 10.012 19.879 1.00 0.00 H new ATOM 0 HB3 MET A 202 53.608 9.888 18.294 1.00 0.00 H new ATOM 0 HG2 MET A 202 52.345 7.854 19.087 1.00 0.00 H new ATOM 0 HG3 MET A 202 53.027 8.087 20.684 1.00 0.00 H new ATOM 0 HE1 MET A 202 49.821 10.701 18.613 1.00 0.00 H new ATOM 0 HE2 MET A 202 51.521 10.931 18.139 1.00 0.00 H new ATOM 0 HE3 MET A 202 50.738 9.350 17.904 1.00 0.00 H new ATOM 950 N GLY A 203 55.845 8.855 16.512 1.00 0.00 N ATOM 951 CA GLY A 203 56.609 9.577 15.486 1.00 0.00 C ATOM 952 C GLY A 203 55.782 10.675 14.831 1.00 0.00 C ATOM 953 O GLY A 203 54.581 10.497 14.633 1.00 0.00 O ATOM 0 H GLY A 203 55.141 8.230 16.119 1.00 0.00 H new ATOM 0 HA2 GLY A 203 57.500 10.014 15.937 1.00 0.00 H new ATOM 0 HA3 GLY A 203 56.948 8.875 14.725 1.00 0.00 H new ATOM 957 N THR A 204 56.413 11.783 14.443 1.00 0.00 N ATOM 958 CA THR A 204 55.766 12.944 13.812 1.00 0.00 C ATOM 959 C THR A 204 56.662 13.552 12.748 1.00 0.00 C ATOM 960 O THR A 204 57.886 13.501 12.841 1.00 0.00 O ATOM 961 CB THR A 204 55.356 14.011 14.840 1.00 0.00 C ATOM 962 OG1 THR A 204 56.354 14.179 15.825 1.00 0.00 O ATOM 963 CG2 THR A 204 54.047 13.621 15.518 1.00 0.00 C ATOM 0 H THR A 204 57.419 11.906 14.561 1.00 0.00 H new ATOM 0 HA THR A 204 54.855 12.579 13.338 1.00 0.00 H new ATOM 0 HB THR A 204 55.226 14.951 14.304 1.00 0.00 H new ATOM 0 HG1 THR A 204 56.070 14.864 16.465 1.00 0.00 H new ATOM 0 HG21 THR A 204 53.771 14.387 16.243 1.00 0.00 H new ATOM 0 HG22 THR A 204 53.261 13.531 14.768 1.00 0.00 H new ATOM 0 HG23 THR A 204 54.172 12.666 16.029 1.00 0.00 H new ATOM 971 N VAL A 205 56.033 14.099 11.709 1.00 0.00 N ATOM 972 CA VAL A 205 56.701 14.573 10.483 1.00 0.00 C ATOM 973 C VAL A 205 55.890 15.728 9.877 1.00 0.00 C ATOM 974 O VAL A 205 54.659 15.706 9.917 1.00 0.00 O ATOM 975 CB VAL A 205 56.883 13.416 9.464 1.00 0.00 C ATOM 976 CG1 VAL A 205 57.593 13.841 8.182 1.00 0.00 C ATOM 977 CG2 VAL A 205 57.626 12.176 9.996 1.00 0.00 C ATOM 0 H VAL A 205 55.022 14.231 11.689 1.00 0.00 H new ATOM 0 HA VAL A 205 57.697 14.936 10.736 1.00 0.00 H new ATOM 0 HB VAL A 205 55.847 13.143 9.262 1.00 0.00 H new ATOM 0 HG11 VAL A 205 57.686 12.983 7.516 1.00 0.00 H new ATOM 0 HG12 VAL A 205 57.016 14.623 7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 205 58.585 14.221 8.425 1.00 0.00 H new ATOM 0 HG21 VAL A 205 57.699 11.429 9.206 1.00 0.00 H new ATOM 0 HG22 VAL A 205 58.627 12.462 10.318 1.00 0.00 H new ATOM 0 HG23 VAL A 205 57.078 11.758 10.841 1.00 0.00 H new ATOM 987 N GLU A 206 56.581 16.736 9.335 1.00 0.00 N ATOM 988 CA GLU A 206 56.010 17.962 8.761 1.00 0.00 C ATOM 989 C GLU A 206 56.327 18.061 7.263 1.00 0.00 C ATOM 990 O GLU A 206 57.469 17.848 6.844 1.00 0.00 O ATOM 991 CB GLU A 206 56.571 19.181 9.512 1.00 0.00 C ATOM 992 CG GLU A 206 55.960 20.516 9.066 1.00 0.00 C ATOM 993 CD GLU A 206 56.520 21.675 9.903 1.00 0.00 C ATOM 994 OE1 GLU A 206 57.564 22.255 9.520 1.00 0.00 O ATOM 995 OE2 GLU A 206 55.920 22.015 10.950 1.00 0.00 O ATOM 0 H GLU A 206 57.599 16.720 9.281 1.00 0.00 H new ATOM 0 HA GLU A 206 54.926 17.936 8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 206 56.396 19.051 10.580 1.00 0.00 H new ATOM 0 HB3 GLU A 206 57.651 19.220 9.368 1.00 0.00 H new ATOM 0 HG2 GLU A 206 56.175 20.686 8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 206 54.875 20.478 9.168 1.00 0.00 H new ATOM 1002 N PHE A 207 55.313 18.414 6.470 1.00 0.00 N ATOM 1003 CA PHE A 207 55.353 18.526 5.008 1.00 0.00 C ATOM 1004 C PHE A 207 55.182 19.990 4.551 1.00 0.00 C ATOM 1005 O PHE A 207 54.677 20.831 5.302 1.00 0.00 O ATOM 1006 CB PHE A 207 54.238 17.647 4.425 1.00 0.00 C ATOM 1007 CG PHE A 207 54.601 16.190 4.199 1.00 0.00 C ATOM 1008 CD1 PHE A 207 54.964 15.353 5.273 1.00 0.00 C ATOM 1009 CD2 PHE A 207 54.568 15.667 2.891 1.00 0.00 C ATOM 1010 CE1 PHE A 207 55.319 14.015 5.033 1.00 0.00 C ATOM 1011 CE2 PHE A 207 54.900 14.323 2.657 1.00 0.00 C ATOM 1012 CZ PHE A 207 55.272 13.496 3.727 1.00 0.00 C ATOM 0 H PHE A 207 54.394 18.641 6.849 1.00 0.00 H new ATOM 0 HA PHE A 207 56.325 18.189 4.647 1.00 0.00 H new ATOM 0 HB2 PHE A 207 53.379 17.689 5.095 1.00 0.00 H new ATOM 0 HB3 PHE A 207 53.922 18.076 3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 207 54.969 15.740 6.281 1.00 0.00 H new ATOM 0 HD2 PHE A 207 54.286 16.303 2.065 1.00 0.00 H new ATOM 0 HE1 PHE A 207 55.629 13.384 5.853 1.00 0.00 H new ATOM 0 HE2 PHE A 207 54.869 13.926 1.653 1.00 0.00 H new ATOM 0 HZ PHE A 207 55.522 12.461 3.548 1.00 0.00 H new ATOM 1022 N THR A 208 55.604 20.301 3.311 1.00 0.00 N ATOM 1023 CA THR A 208 55.600 21.681 2.781 1.00 0.00 C ATOM 1024 C THR A 208 54.205 22.186 2.406 1.00 0.00 C ATOM 1025 O THR A 208 54.009 23.400 2.367 1.00 0.00 O ATOM 1026 CB THR A 208 56.554 21.863 1.590 1.00 0.00 C ATOM 1027 OG1 THR A 208 56.079 21.147 0.473 1.00 0.00 O ATOM 1028 CG2 THR A 208 57.994 21.420 1.834 1.00 0.00 C ATOM 0 H THR A 208 55.956 19.608 2.650 1.00 0.00 H new ATOM 0 HA THR A 208 55.961 22.289 3.610 1.00 0.00 H new ATOM 0 HB THR A 208 56.571 22.940 1.423 1.00 0.00 H new ATOM 0 HG1 THR A 208 55.324 21.628 0.073 1.00 0.00 H new ATOM 0 HG21 THR A 208 58.584 21.590 0.934 1.00 0.00 H new ATOM 0 HG22 THR A 208 58.416 21.994 2.659 1.00 0.00 H new ATOM 0 HG23 THR A 208 58.011 20.359 2.084 1.00 0.00 H new ATOM 1036 N ASN A 209 53.234 21.296 2.160 1.00 0.00 N ATOM 1037 CA ASN A 209 51.870 21.635 1.723 1.00 0.00 C ATOM 1038 C ASN A 209 50.803 20.789 2.458 1.00 0.00 C ATOM 1039 O ASN A 209 50.961 20.538 3.654 1.00 0.00 O ATOM 1040 CB ASN A 209 51.799 21.618 0.178 1.00 0.00 C ATOM 1041 CG ASN A 209 52.717 22.652 -0.475 1.00 0.00 C ATOM 1042 OD1 ASN A 209 53.886 22.395 -0.748 1.00 0.00 O ATOM 1043 ND2 ASN A 209 52.218 23.846 -0.751 1.00 0.00 N ATOM 0 H ASN A 209 53.378 20.291 2.262 1.00 0.00 H new ATOM 0 HA ASN A 209 51.622 22.655 2.017 1.00 0.00 H new ATOM 0 HB2 ASN A 209 52.067 20.624 -0.181 1.00 0.00 H new ATOM 0 HB3 ASN A 209 50.772 21.804 -0.135 1.00 0.00 H new ATOM 0 HD21 ASN A 209 52.805 24.555 -1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 209 51.247 24.058 -0.523 1.00 0.00 H new ATOM 1050 N SER A 210 49.684 20.433 1.817 1.00 0.00 N ATOM 1051 CA SER A 210 48.531 19.777 2.460 1.00 0.00 C ATOM 1052 C SER A 210 47.953 18.612 1.631 1.00 0.00 C ATOM 1053 O SER A 210 47.928 17.479 2.110 1.00 0.00 O ATOM 1054 CB SER A 210 47.452 20.818 2.798 1.00 0.00 C ATOM 1055 OG SER A 210 47.030 21.551 1.655 1.00 0.00 O ATOM 0 H SER A 210 49.548 20.594 0.819 1.00 0.00 H new ATOM 0 HA SER A 210 48.892 19.327 3.385 1.00 0.00 H new ATOM 0 HB2 SER A 210 46.593 20.316 3.242 1.00 0.00 H new ATOM 0 HB3 SER A 210 47.839 21.509 3.547 1.00 0.00 H new ATOM 0 HG SER A 210 46.343 22.199 1.917 1.00 0.00 H new ATOM 1061 N ASP A 211 47.523 18.841 0.384 1.00 0.00 N ATOM 1062 CA ASP A 211 46.874 17.810 -0.448 1.00 0.00 C ATOM 1063 C ASP A 211 47.785 16.602 -0.763 1.00 0.00 C ATOM 1064 O ASP A 211 47.308 15.475 -0.886 1.00 0.00 O ATOM 1065 CB ASP A 211 46.360 18.463 -1.739 1.00 0.00 C ATOM 1066 CG ASP A 211 45.569 17.477 -2.612 1.00 0.00 C ATOM 1067 OD1 ASP A 211 44.431 17.111 -2.238 1.00 0.00 O ATOM 1068 OD2 ASP A 211 46.076 17.084 -3.690 1.00 0.00 O ATOM 0 H ASP A 211 47.613 19.745 -0.080 1.00 0.00 H new ATOM 0 HA ASP A 211 46.043 17.400 0.127 1.00 0.00 H new ATOM 0 HB2 ASP A 211 45.725 19.313 -1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 211 47.204 18.853 -2.308 1.00 0.00 H new ATOM 1073 N ASP A 212 49.101 16.817 -0.825 1.00 0.00 N ATOM 1074 CA ASP A 212 50.133 15.783 -0.955 1.00 0.00 C ATOM 1075 C ASP A 212 50.326 14.961 0.332 1.00 0.00 C ATOM 1076 O ASP A 212 50.690 13.786 0.275 1.00 0.00 O ATOM 1077 CB ASP A 212 51.461 16.447 -1.370 1.00 0.00 C ATOM 1078 CG ASP A 212 52.040 17.430 -0.334 1.00 0.00 C ATOM 1079 OD1 ASP A 212 51.261 18.219 0.253 1.00 0.00 O ATOM 1080 OD2 ASP A 212 53.280 17.432 -0.152 1.00 0.00 O ATOM 0 H ASP A 212 49.495 17.757 -0.784 1.00 0.00 H new ATOM 0 HA ASP A 212 49.802 15.081 -1.720 1.00 0.00 H new ATOM 0 HB2 ASP A 212 52.197 15.667 -1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 212 51.308 16.978 -2.309 1.00 0.00 H new ATOM 1085 N VAL A 213 50.055 15.572 1.485 1.00 0.00 N ATOM 1086 CA VAL A 213 50.241 14.988 2.822 1.00 0.00 C ATOM 1087 C VAL A 213 49.238 13.856 3.095 1.00 0.00 C ATOM 1088 O VAL A 213 49.581 12.861 3.731 1.00 0.00 O ATOM 1089 CB VAL A 213 50.167 16.067 3.932 1.00 0.00 C ATOM 1090 CG1 VAL A 213 50.726 15.532 5.259 1.00 0.00 C ATOM 1091 CG2 VAL A 213 50.963 17.326 3.545 1.00 0.00 C ATOM 0 H VAL A 213 49.686 16.522 1.520 1.00 0.00 H new ATOM 0 HA VAL A 213 51.242 14.556 2.840 1.00 0.00 H new ATOM 0 HB VAL A 213 49.114 16.324 4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 213 50.662 16.309 6.020 1.00 0.00 H new ATOM 0 HG12 VAL A 213 50.145 14.665 5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 213 51.768 15.241 5.124 1.00 0.00 H new ATOM 0 HG21 VAL A 213 50.890 18.063 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 213 52.009 17.062 3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 213 50.554 17.747 2.626 1.00 0.00 H new ATOM 1101 N ASP A 214 48.017 13.957 2.555 1.00 0.00 N ATOM 1102 CA ASP A 214 47.040 12.863 2.575 1.00 0.00 C ATOM 1103 C ASP A 214 47.399 11.745 1.578 1.00 0.00 C ATOM 1104 O ASP A 214 47.348 10.563 1.929 1.00 0.00 O ATOM 1105 CB ASP A 214 45.639 13.424 2.301 1.00 0.00 C ATOM 1106 CG ASP A 214 44.569 12.334 2.463 1.00 0.00 C ATOM 1107 OD1 ASP A 214 44.360 11.883 3.614 1.00 0.00 O ATOM 1108 OD2 ASP A 214 43.947 11.939 1.449 1.00 0.00 O ATOM 0 H ASP A 214 47.679 14.801 2.092 1.00 0.00 H new ATOM 0 HA ASP A 214 47.057 12.408 3.565 1.00 0.00 H new ATOM 0 HB2 ASP A 214 45.432 14.246 2.986 1.00 0.00 H new ATOM 0 HB3 ASP A 214 45.598 13.832 1.291 1.00 0.00 H new ATOM 1113 N ARG A 215 47.841 12.115 0.366 1.00 0.00 N ATOM 1114 CA ARG A 215 48.260 11.170 -0.683 1.00 0.00 C ATOM 1115 C ARG A 215 49.471 10.321 -0.269 1.00 0.00 C ATOM 1116 O ARG A 215 49.567 9.171 -0.699 1.00 0.00 O ATOM 1117 CB ARG A 215 48.558 11.915 -1.997 1.00 0.00 C ATOM 1118 CG ARG A 215 47.304 12.554 -2.611 1.00 0.00 C ATOM 1119 CD ARG A 215 47.671 13.431 -3.816 1.00 0.00 C ATOM 1120 NE ARG A 215 46.563 14.323 -4.187 1.00 0.00 N ATOM 1121 CZ ARG A 215 45.478 14.045 -4.892 1.00 0.00 C ATOM 1122 NH1 ARG A 215 45.248 12.861 -5.425 1.00 0.00 N ATOM 1123 NH2 ARG A 215 44.600 15.006 -5.051 1.00 0.00 N ATOM 0 H ARG A 215 47.919 13.092 0.082 1.00 0.00 H new ATOM 0 HA ARG A 215 47.426 10.485 -0.836 1.00 0.00 H new ATOM 0 HB2 ARG A 215 49.302 12.690 -1.810 1.00 0.00 H new ATOM 0 HB3 ARG A 215 48.995 11.220 -2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 215 46.609 11.774 -2.922 1.00 0.00 H new ATOM 0 HG3 ARG A 215 46.793 13.156 -1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 215 48.555 14.024 -3.581 1.00 0.00 H new ATOM 0 HD3 ARG A 215 47.929 12.797 -4.664 1.00 0.00 H new ATOM 0 HE ARG A 215 46.641 15.285 -3.857 1.00 0.00 H new ATOM 0 HH11 ARG A 215 45.923 12.107 -5.302 1.00 0.00 H new ATOM 0 HH12 ARG A 215 44.395 12.700 -5.960 1.00 0.00 H new ATOM 0 HH21 ARG A 215 44.768 15.924 -4.638 1.00 0.00 H new ATOM 0 HH22 ARG A 215 43.749 14.836 -5.587 1.00 0.00 H new ATOM 1137 N ALA A 216 50.342 10.837 0.607 1.00 0.00 N ATOM 1138 CA ALA A 216 51.415 10.082 1.263 1.00 0.00 C ATOM 1139 C ALA A 216 50.865 8.886 2.046 1.00 0.00 C ATOM 1140 O ALA A 216 51.165 7.739 1.735 1.00 0.00 O ATOM 1141 CB ALA A 216 52.203 11.044 2.176 1.00 0.00 C ATOM 0 H ALA A 216 50.319 11.818 0.886 1.00 0.00 H new ATOM 0 HA ALA A 216 52.083 9.670 0.507 1.00 0.00 H new ATOM 0 HB1 ALA A 216 53.006 10.499 2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 216 52.628 11.849 1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 216 51.533 11.465 2.926 1.00 0.00 H new ATOM 1147 N ILE A 217 50.001 9.130 3.032 1.00 0.00 N ATOM 1148 CA ILE A 217 49.497 8.074 3.931 1.00 0.00 C ATOM 1149 C ILE A 217 48.604 7.054 3.212 1.00 0.00 C ATOM 1150 O ILE A 217 48.593 5.885 3.599 1.00 0.00 O ATOM 1151 CB ILE A 217 48.876 8.724 5.189 1.00 0.00 C ATOM 1152 CG1 ILE A 217 50.002 9.046 6.197 1.00 0.00 C ATOM 1153 CG2 ILE A 217 47.844 7.843 5.902 1.00 0.00 C ATOM 1154 CD1 ILE A 217 50.700 10.371 5.943 1.00 0.00 C ATOM 0 H ILE A 217 49.628 10.058 3.235 1.00 0.00 H new ATOM 0 HA ILE A 217 50.331 7.462 4.274 1.00 0.00 H new ATOM 0 HB ILE A 217 48.357 9.618 4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 217 49.583 9.055 7.203 1.00 0.00 H new ATOM 0 HG13 ILE A 217 50.742 8.246 6.167 1.00 0.00 H new ATOM 0 HG21 ILE A 217 47.456 8.370 6.773 1.00 0.00 H new ATOM 0 HG22 ILE A 217 47.025 7.617 5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 217 48.317 6.914 6.221 1.00 0.00 H new ATOM 0 HD11 ILE A 217 51.476 10.523 6.693 1.00 0.00 H new ATOM 0 HD12 ILE A 217 51.151 10.360 4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 217 49.974 11.182 6.003 1.00 0.00 H new ATOM 1166 N ARG A 218 48.004 7.438 2.078 1.00 0.00 N ATOM 1167 CA ARG A 218 47.348 6.518 1.136 1.00 0.00 C ATOM 1168 C ARG A 218 48.301 5.438 0.559 1.00 0.00 C ATOM 1169 O ARG A 218 47.819 4.451 0.003 1.00 0.00 O ATOM 1170 CB ARG A 218 46.658 7.337 0.020 1.00 0.00 C ATOM 1171 CG ARG A 218 45.183 6.970 -0.220 1.00 0.00 C ATOM 1172 CD ARG A 218 44.974 5.542 -0.740 1.00 0.00 C ATOM 1173 NE ARG A 218 43.560 5.296 -1.074 1.00 0.00 N ATOM 1174 CZ ARG A 218 43.054 4.167 -1.561 1.00 0.00 C ATOM 1175 NH1 ARG A 218 43.809 3.119 -1.824 1.00 0.00 N ATOM 1176 NH2 ARG A 218 41.762 4.078 -1.793 1.00 0.00 N ATOM 0 H ARG A 218 47.959 8.413 1.783 1.00 0.00 H new ATOM 0 HA ARG A 218 46.596 5.956 1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 218 46.720 8.396 0.272 1.00 0.00 H new ATOM 0 HB3 ARG A 218 47.210 7.198 -0.910 1.00 0.00 H new ATOM 0 HG2 ARG A 218 44.632 7.091 0.713 1.00 0.00 H new ATOM 0 HG3 ARG A 218 44.756 7.673 -0.935 1.00 0.00 H new ATOM 0 HD2 ARG A 218 45.592 5.380 -1.623 1.00 0.00 H new ATOM 0 HD3 ARG A 218 45.302 4.826 0.014 1.00 0.00 H new ATOM 0 HE ARG A 218 42.908 6.064 -0.917 1.00 0.00 H new ATOM 0 HH11 ARG A 218 44.814 3.159 -1.654 1.00 0.00 H new ATOM 0 HH12 ARG A 218 43.388 2.268 -2.197 1.00 0.00 H new ATOM 0 HH21 ARG A 218 41.153 4.873 -1.599 1.00 0.00 H new ATOM 0 HH22 ARG A 218 41.369 3.214 -2.167 1.00 0.00 H new ATOM 1190 N GLN A 219 49.626 5.588 0.698 1.00 0.00 N ATOM 1191 CA GLN A 219 50.633 4.580 0.333 1.00 0.00 C ATOM 1192 C GLN A 219 51.171 3.798 1.553 1.00 0.00 C ATOM 1193 O GLN A 219 51.729 2.713 1.373 1.00 0.00 O ATOM 1194 CB GLN A 219 51.838 5.237 -0.382 1.00 0.00 C ATOM 1195 CG GLN A 219 51.546 6.361 -1.391 1.00 0.00 C ATOM 1196 CD GLN A 219 50.437 6.043 -2.396 1.00 0.00 C ATOM 1197 OE1 GLN A 219 50.395 4.987 -3.017 1.00 0.00 O ATOM 1198 NE2 GLN A 219 49.491 6.942 -2.585 1.00 0.00 N ATOM 0 H GLN A 219 50.039 6.439 1.079 1.00 0.00 H new ATOM 0 HA GLN A 219 50.123 3.883 -0.331 1.00 0.00 H new ATOM 0 HB2 GLN A 219 52.504 5.638 0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 219 52.387 4.453 -0.903 1.00 0.00 H new ATOM 0 HG2 GLN A 219 51.273 7.262 -0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 219 52.461 6.586 -1.939 1.00 0.00 H new ATOM 0 HE21 GLN A 219 49.516 7.824 -2.073 1.00 0.00 H new ATOM 0 HE22 GLN A 219 48.734 6.755 -3.243 1.00 0.00 H new ATOM 1207 N TYR A 220 51.034 4.331 2.778 1.00 0.00 N ATOM 1208 CA TYR A 220 51.861 3.924 3.931 1.00 0.00 C ATOM 1209 C TYR A 220 51.120 3.390 5.169 1.00 0.00 C ATOM 1210 O TYR A 220 51.755 2.748 6.008 1.00 0.00 O ATOM 1211 CB TYR A 220 52.727 5.111 4.373 1.00 0.00 C ATOM 1212 CG TYR A 220 53.638 5.716 3.322 1.00 0.00 C ATOM 1213 CD1 TYR A 220 54.472 4.908 2.524 1.00 0.00 C ATOM 1214 CD2 TYR A 220 53.675 7.113 3.176 1.00 0.00 C ATOM 1215 CE1 TYR A 220 55.350 5.498 1.596 1.00 0.00 C ATOM 1216 CE2 TYR A 220 54.531 7.713 2.240 1.00 0.00 C ATOM 1217 CZ TYR A 220 55.384 6.903 1.454 1.00 0.00 C ATOM 1218 OH TYR A 220 56.238 7.466 0.563 1.00 0.00 O ATOM 0 H TYR A 220 50.350 5.054 2.999 1.00 0.00 H new ATOM 0 HA TYR A 220 52.436 3.078 3.555 1.00 0.00 H new ATOM 0 HB2 TYR A 220 52.067 5.895 4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 220 53.343 4.789 5.213 1.00 0.00 H new ATOM 0 HD1 TYR A 220 54.437 3.833 2.625 1.00 0.00 H new ATOM 0 HD2 TYR A 220 53.038 7.732 3.791 1.00 0.00 H new ATOM 0 HE1 TYR A 220 55.997 4.878 0.993 1.00 0.00 H new ATOM 0 HE2 TYR A 220 54.539 8.786 2.120 1.00 0.00 H new ATOM 0 HH TYR A 220 56.814 6.773 0.179 1.00 0.00 H new ATOM 1228 N ASP A 221 49.814 3.621 5.333 1.00 0.00 N ATOM 1229 CA ASP A 221 49.096 3.072 6.492 1.00 0.00 C ATOM 1230 C ASP A 221 49.009 1.535 6.382 1.00 0.00 C ATOM 1231 O ASP A 221 48.487 1.005 5.396 1.00 0.00 O ATOM 1232 CB ASP A 221 47.718 3.728 6.624 1.00 0.00 C ATOM 1233 CG ASP A 221 47.151 3.525 8.034 1.00 0.00 C ATOM 1234 OD1 ASP A 221 47.672 4.168 8.978 1.00 0.00 O ATOM 1235 OD2 ASP A 221 46.197 2.726 8.187 1.00 0.00 O ATOM 0 H ASP A 221 49.241 4.172 4.694 1.00 0.00 H new ATOM 0 HA ASP A 221 49.647 3.301 7.404 1.00 0.00 H new ATOM 0 HB2 ASP A 221 47.795 4.794 6.408 1.00 0.00 H new ATOM 0 HB3 ASP A 221 47.036 3.303 5.888 1.00 0.00 H new ATOM 1240 N GLY A 222 49.560 0.818 7.372 1.00 0.00 N ATOM 1241 CA GLY A 222 49.770 -0.634 7.322 1.00 0.00 C ATOM 1242 C GLY A 222 51.152 -1.070 6.844 1.00 0.00 C ATOM 1243 O GLY A 222 51.381 -2.278 6.775 1.00 0.00 O ATOM 0 H GLY A 222 49.877 1.240 8.245 1.00 0.00 H new ATOM 0 HA2 GLY A 222 49.600 -1.045 8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 222 49.020 -1.072 6.664 1.00 0.00 H new ATOM 1247 N ALA A 223 52.070 -0.148 6.515 1.00 0.00 N ATOM 1248 CA ALA A 223 53.436 -0.496 6.116 1.00 0.00 C ATOM 1249 C ALA A 223 54.151 -1.280 7.231 1.00 0.00 C ATOM 1250 O ALA A 223 54.537 -0.726 8.261 1.00 0.00 O ATOM 1251 CB ALA A 223 54.225 0.762 5.703 1.00 0.00 C ATOM 0 H ALA A 223 51.884 0.855 6.519 1.00 0.00 H new ATOM 0 HA ALA A 223 53.383 -1.148 5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 223 55.236 0.478 5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 223 53.727 1.244 4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 223 54.271 1.455 6.543 1.00 0.00 H new ATOM 1257 N PHE A 224 54.332 -2.583 7.006 1.00 0.00 N ATOM 1258 CA PHE A 224 55.323 -3.404 7.707 1.00 0.00 C ATOM 1259 C PHE A 224 56.715 -2.759 7.585 1.00 0.00 C ATOM 1260 O PHE A 224 57.229 -2.555 6.482 1.00 0.00 O ATOM 1261 CB PHE A 224 55.314 -4.837 7.153 1.00 0.00 C ATOM 1262 CG PHE A 224 54.109 -5.660 7.572 1.00 0.00 C ATOM 1263 CD1 PHE A 224 52.917 -5.608 6.826 1.00 0.00 C ATOM 1264 CD2 PHE A 224 54.185 -6.490 8.709 1.00 0.00 C ATOM 1265 CE1 PHE A 224 51.808 -6.384 7.210 1.00 0.00 C ATOM 1266 CE2 PHE A 224 53.078 -7.272 9.087 1.00 0.00 C ATOM 1267 CZ PHE A 224 51.889 -7.219 8.337 1.00 0.00 C ATOM 0 H PHE A 224 53.786 -3.106 6.321 1.00 0.00 H new ATOM 0 HA PHE A 224 55.067 -3.458 8.765 1.00 0.00 H new ATOM 0 HB2 PHE A 224 55.349 -4.794 6.064 1.00 0.00 H new ATOM 0 HB3 PHE A 224 56.220 -5.347 7.481 1.00 0.00 H new ATOM 0 HD1 PHE A 224 52.853 -4.971 5.956 1.00 0.00 H new ATOM 0 HD2 PHE A 224 55.094 -6.526 9.291 1.00 0.00 H new ATOM 0 HE1 PHE A 224 50.893 -6.338 6.638 1.00 0.00 H new ATOM 0 HE2 PHE A 224 53.141 -7.913 9.954 1.00 0.00 H new ATOM 0 HZ PHE A 224 51.039 -7.819 8.627 1.00 0.00 H new ATOM 1277 N PHE A 225 57.303 -2.423 8.736 1.00 0.00 N ATOM 1278 CA PHE A 225 58.442 -1.520 8.872 1.00 0.00 C ATOM 1279 C PHE A 225 59.292 -2.003 10.051 1.00 0.00 C ATOM 1280 O PHE A 225 58.849 -1.961 11.201 1.00 0.00 O ATOM 1281 CB PHE A 225 57.852 -0.124 9.111 1.00 0.00 C ATOM 1282 CG PHE A 225 58.783 1.054 8.934 1.00 0.00 C ATOM 1283 CD1 PHE A 225 59.732 1.392 9.919 1.00 0.00 C ATOM 1284 CD2 PHE A 225 58.629 1.871 7.800 1.00 0.00 C ATOM 1285 CE1 PHE A 225 60.528 2.541 9.758 1.00 0.00 C ATOM 1286 CE2 PHE A 225 59.411 3.022 7.651 1.00 0.00 C ATOM 1287 CZ PHE A 225 60.366 3.361 8.626 1.00 0.00 C ATOM 0 H PHE A 225 56.984 -2.789 9.633 1.00 0.00 H new ATOM 0 HA PHE A 225 59.086 -1.495 7.993 1.00 0.00 H new ATOM 0 HB2 PHE A 225 57.007 0.007 8.435 1.00 0.00 H new ATOM 0 HB3 PHE A 225 57.456 -0.093 10.126 1.00 0.00 H new ATOM 0 HD1 PHE A 225 59.848 0.771 10.795 1.00 0.00 H new ATOM 0 HD2 PHE A 225 57.905 1.610 7.042 1.00 0.00 H new ATOM 0 HE1 PHE A 225 61.265 2.794 10.505 1.00 0.00 H new ATOM 0 HE2 PHE A 225 59.281 3.652 6.784 1.00 0.00 H new ATOM 0 HZ PHE A 225 60.972 4.247 8.507 1.00 0.00 H new ATOM 1297 N MET A 226 60.490 -2.528 9.766 1.00 0.00 N ATOM 1298 CA MET A 226 61.331 -3.228 10.757 1.00 0.00 C ATOM 1299 C MET A 226 60.554 -4.371 11.467 1.00 0.00 C ATOM 1300 O MET A 226 60.718 -4.596 12.665 1.00 0.00 O ATOM 1301 CB MET A 226 61.952 -2.215 11.741 1.00 0.00 C ATOM 1302 CG MET A 226 62.723 -1.080 11.054 1.00 0.00 C ATOM 1303 SD MET A 226 63.349 0.172 12.205 1.00 0.00 S ATOM 1304 CE MET A 226 64.183 1.238 11.004 1.00 0.00 C ATOM 0 H MET A 226 60.910 -2.481 8.837 1.00 0.00 H new ATOM 0 HA MET A 226 62.154 -3.716 10.235 1.00 0.00 H new ATOM 0 HB2 MET A 226 61.160 -1.785 12.354 1.00 0.00 H new ATOM 0 HB3 MET A 226 62.626 -2.743 12.416 1.00 0.00 H new ATOM 0 HG2 MET A 226 63.561 -1.504 10.501 1.00 0.00 H new ATOM 0 HG3 MET A 226 62.071 -0.598 10.325 1.00 0.00 H new ATOM 0 HE1 MET A 226 64.729 2.021 11.530 1.00 0.00 H new ATOM 0 HE2 MET A 226 64.880 0.644 10.413 1.00 0.00 H new ATOM 0 HE3 MET A 226 63.443 1.692 10.345 1.00 0.00 H new ATOM 1314 N ASP A 227 59.663 -5.045 10.716 1.00 0.00 N ATOM 1315 CA ASP A 227 58.834 -6.216 11.082 1.00 0.00 C ATOM 1316 C ASP A 227 57.481 -5.903 11.774 1.00 0.00 C ATOM 1317 O ASP A 227 56.734 -6.837 12.080 1.00 0.00 O ATOM 1318 CB ASP A 227 59.636 -7.316 11.813 1.00 0.00 C ATOM 1319 CG ASP A 227 60.876 -7.774 11.026 1.00 0.00 C ATOM 1320 OD1 ASP A 227 60.708 -8.323 9.909 1.00 0.00 O ATOM 1321 OD2 ASP A 227 62.013 -7.621 11.533 1.00 0.00 O ATOM 0 H ASP A 227 59.487 -4.762 9.752 1.00 0.00 H new ATOM 0 HA ASP A 227 58.536 -6.620 10.115 1.00 0.00 H new ATOM 0 HB2 ASP A 227 59.948 -6.944 12.789 1.00 0.00 H new ATOM 0 HB3 ASP A 227 58.988 -8.174 11.992 1.00 0.00 H new ATOM 1326 N ARG A 228 57.131 -4.624 11.993 1.00 0.00 N ATOM 1327 CA ARG A 228 55.847 -4.199 12.593 1.00 0.00 C ATOM 1328 C ARG A 228 55.091 -3.218 11.693 1.00 0.00 C ATOM 1329 O ARG A 228 55.682 -2.329 11.087 1.00 0.00 O ATOM 1330 CB ARG A 228 56.107 -3.563 13.967 1.00 0.00 C ATOM 1331 CG ARG A 228 54.866 -3.503 14.868 1.00 0.00 C ATOM 1332 CD ARG A 228 55.187 -2.691 16.126 1.00 0.00 C ATOM 1333 NE ARG A 228 54.078 -2.735 17.094 1.00 0.00 N ATOM 1334 CZ ARG A 228 53.800 -1.825 18.022 1.00 0.00 C ATOM 1335 NH1 ARG A 228 54.448 -0.682 18.107 1.00 0.00 N ATOM 1336 NH2 ARG A 228 52.854 -2.066 18.903 1.00 0.00 N ATOM 0 H ARG A 228 57.740 -3.841 11.755 1.00 0.00 H new ATOM 0 HA ARG A 228 55.221 -5.084 12.707 1.00 0.00 H new ATOM 0 HB2 ARG A 228 56.887 -4.128 14.477 1.00 0.00 H new ATOM 0 HB3 ARG A 228 56.489 -2.552 13.823 1.00 0.00 H new ATOM 0 HG2 ARG A 228 54.035 -3.047 14.330 1.00 0.00 H new ATOM 0 HG3 ARG A 228 54.554 -4.511 15.142 1.00 0.00 H new ATOM 0 HD2 ARG A 228 56.093 -3.081 16.591 1.00 0.00 H new ATOM 0 HD3 ARG A 228 55.390 -1.656 15.850 1.00 0.00 H new ATOM 0 HE ARG A 228 53.461 -3.546 17.048 1.00 0.00 H new ATOM 0 HH11 ARG A 228 55.194 -0.468 17.445 1.00 0.00 H new ATOM 0 HH12 ARG A 228 54.204 -0.010 18.834 1.00 0.00 H new ATOM 0 HH21 ARG A 228 52.340 -2.946 18.871 1.00 0.00 H new ATOM 0 HH22 ARG A 228 52.635 -1.373 19.618 1.00 0.00 H new ATOM 1350 N LYS A 229 53.768 -3.353 11.605 1.00 0.00 N ATOM 1351 CA LYS A 229 52.929 -2.480 10.769 1.00 0.00 C ATOM 1352 C LYS A 229 52.688 -1.095 11.406 1.00 0.00 C ATOM 1353 O LYS A 229 51.867 -0.961 12.315 1.00 0.00 O ATOM 1354 CB LYS A 229 51.631 -3.173 10.308 1.00 0.00 C ATOM 1355 CG LYS A 229 50.829 -3.890 11.402 1.00 0.00 C ATOM 1356 CD LYS A 229 51.172 -5.384 11.469 1.00 0.00 C ATOM 1357 CE LYS A 229 50.592 -5.941 12.770 1.00 0.00 C ATOM 1358 NZ LYS A 229 50.730 -7.421 12.870 1.00 0.00 N ATOM 0 H LYS A 229 53.244 -4.068 12.109 1.00 0.00 H new ATOM 0 HA LYS A 229 53.499 -2.286 9.860 1.00 0.00 H new ATOM 0 HB2 LYS A 229 50.988 -2.425 9.844 1.00 0.00 H new ATOM 0 HB3 LYS A 229 51.884 -3.899 9.535 1.00 0.00 H new ATOM 0 HG2 LYS A 229 51.034 -3.426 12.367 1.00 0.00 H new ATOM 0 HG3 LYS A 229 49.763 -3.769 11.210 1.00 0.00 H new ATOM 0 HD2 LYS A 229 50.756 -5.910 10.610 1.00 0.00 H new ATOM 0 HD3 LYS A 229 52.252 -5.529 11.440 1.00 0.00 H new ATOM 0 HE2 LYS A 229 51.095 -5.475 13.617 1.00 0.00 H new ATOM 0 HE3 LYS A 229 49.538 -5.672 12.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 50.322 -7.748 13.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 50.228 -7.871 12.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 51.737 -7.679 12.833 1.00 0.00 H new ATOM 1372 N ILE A 230 53.382 -0.050 10.933 1.00 0.00 N ATOM 1373 CA ILE A 230 53.025 1.353 11.219 1.00 0.00 C ATOM 1374 C ILE A 230 51.544 1.627 10.882 1.00 0.00 C ATOM 1375 O ILE A 230 51.025 1.161 9.867 1.00 0.00 O ATOM 1376 CB ILE A 230 53.968 2.383 10.517 1.00 0.00 C ATOM 1377 CG1 ILE A 230 53.503 2.803 9.100 1.00 0.00 C ATOM 1378 CG2 ILE A 230 55.427 1.902 10.461 1.00 0.00 C ATOM 1379 CD1 ILE A 230 54.468 3.732 8.349 1.00 0.00 C ATOM 0 H ILE A 230 54.207 -0.150 10.341 1.00 0.00 H new ATOM 0 HA ILE A 230 53.167 1.495 12.290 1.00 0.00 H new ATOM 0 HB ILE A 230 53.910 3.268 11.151 1.00 0.00 H new ATOM 0 HG12 ILE A 230 53.350 1.904 8.503 1.00 0.00 H new ATOM 0 HG13 ILE A 230 52.536 3.299 9.183 1.00 0.00 H new ATOM 0 HG21 ILE A 230 56.039 2.654 9.964 1.00 0.00 H new ATOM 0 HG22 ILE A 230 55.797 1.744 11.474 1.00 0.00 H new ATOM 0 HG23 ILE A 230 55.480 0.966 9.906 1.00 0.00 H new ATOM 0 HD11 ILE A 230 54.055 3.970 7.369 1.00 0.00 H new ATOM 0 HD12 ILE A 230 54.604 4.652 8.918 1.00 0.00 H new ATOM 0 HD13 ILE A 230 55.430 3.235 8.227 1.00 0.00 H new ATOM 1391 N PHE A 231 50.906 2.460 11.702 1.00 0.00 N ATOM 1392 CA PHE A 231 49.632 3.114 11.405 1.00 0.00 C ATOM 1393 C PHE A 231 49.803 4.607 11.691 1.00 0.00 C ATOM 1394 O PHE A 231 50.588 4.973 12.568 1.00 0.00 O ATOM 1395 CB PHE A 231 48.494 2.503 12.240 1.00 0.00 C ATOM 1396 CG PHE A 231 48.230 1.024 12.005 1.00 0.00 C ATOM 1397 CD1 PHE A 231 47.939 0.550 10.710 1.00 0.00 C ATOM 1398 CD2 PHE A 231 48.230 0.122 13.087 1.00 0.00 C ATOM 1399 CE1 PHE A 231 47.669 -0.814 10.498 1.00 0.00 C ATOM 1400 CE2 PHE A 231 47.965 -1.243 12.874 1.00 0.00 C ATOM 1401 CZ PHE A 231 47.684 -1.712 11.579 1.00 0.00 C ATOM 0 H PHE A 231 51.273 2.707 12.621 1.00 0.00 H new ATOM 0 HA PHE A 231 49.360 2.967 10.360 1.00 0.00 H new ATOM 0 HB2 PHE A 231 48.722 2.650 13.296 1.00 0.00 H new ATOM 0 HB3 PHE A 231 47.578 3.055 12.032 1.00 0.00 H new ATOM 0 HD1 PHE A 231 47.923 1.237 9.877 1.00 0.00 H new ATOM 0 HD2 PHE A 231 48.434 0.480 14.085 1.00 0.00 H new ATOM 0 HE1 PHE A 231 47.450 -1.172 9.503 1.00 0.00 H new ATOM 0 HE2 PHE A 231 47.977 -1.931 13.706 1.00 0.00 H new ATOM 0 HZ PHE A 231 47.480 -2.760 11.415 1.00 0.00 H new ATOM 1411 N VAL A 232 49.121 5.468 10.942 1.00 0.00 N ATOM 1412 CA VAL A 232 49.417 6.907 10.924 1.00 0.00 C ATOM 1413 C VAL A 232 48.176 7.742 10.612 1.00 0.00 C ATOM 1414 O VAL A 232 47.497 7.536 9.608 1.00 0.00 O ATOM 1415 CB VAL A 232 50.613 7.240 9.991 1.00 0.00 C ATOM 1416 CG1 VAL A 232 50.531 6.561 8.614 1.00 0.00 C ATOM 1417 CG2 VAL A 232 50.838 8.757 9.818 1.00 0.00 C ATOM 0 H VAL A 232 48.351 5.196 10.332 1.00 0.00 H new ATOM 0 HA VAL A 232 49.727 7.185 11.932 1.00 0.00 H new ATOM 0 HB VAL A 232 51.477 6.823 10.510 1.00 0.00 H new ATOM 0 HG11 VAL A 232 51.400 6.840 8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 232 50.512 5.479 8.743 1.00 0.00 H new ATOM 0 HG13 VAL A 232 49.623 6.882 8.104 1.00 0.00 H new ATOM 0 HG21 VAL A 232 51.687 8.926 9.156 1.00 0.00 H new ATOM 0 HG22 VAL A 232 49.946 9.210 9.387 1.00 0.00 H new ATOM 0 HG23 VAL A 232 51.041 9.208 10.789 1.00 0.00 H new ATOM 1427 N ARG A 233 47.928 8.721 11.487 1.00 0.00 N ATOM 1428 CA ARG A 233 46.926 9.772 11.315 1.00 0.00 C ATOM 1429 C ARG A 233 47.516 10.930 10.501 1.00 0.00 C ATOM 1430 O ARG A 233 48.633 11.383 10.757 1.00 0.00 O ATOM 1431 CB ARG A 233 46.446 10.221 12.711 1.00 0.00 C ATOM 1432 CG ARG A 233 45.569 11.484 12.679 1.00 0.00 C ATOM 1433 CD ARG A 233 45.020 11.848 14.063 1.00 0.00 C ATOM 1434 NE ARG A 233 44.301 13.134 14.010 1.00 0.00 N ATOM 1435 CZ ARG A 233 43.757 13.780 15.037 1.00 0.00 C ATOM 1436 NH1 ARG A 233 43.769 13.284 16.258 1.00 0.00 N ATOM 1437 NH2 ARG A 233 43.188 14.951 14.845 1.00 0.00 N ATOM 0 H ARG A 233 48.439 8.805 12.366 1.00 0.00 H new ATOM 0 HA ARG A 233 46.066 9.401 10.758 1.00 0.00 H new ATOM 0 HB2 ARG A 233 45.884 9.409 13.172 1.00 0.00 H new ATOM 0 HB3 ARG A 233 47.314 10.407 13.343 1.00 0.00 H new ATOM 0 HG2 ARG A 233 46.153 12.319 12.291 1.00 0.00 H new ATOM 0 HG3 ARG A 233 44.738 11.329 11.991 1.00 0.00 H new ATOM 0 HD2 ARG A 233 44.349 11.063 14.413 1.00 0.00 H new ATOM 0 HD3 ARG A 233 45.838 11.911 14.780 1.00 0.00 H new ATOM 0 HE ARG A 233 44.212 13.572 13.093 1.00 0.00 H new ATOM 0 HH11 ARG A 233 44.205 12.379 16.437 1.00 0.00 H new ATOM 0 HH12 ARG A 233 43.343 13.805 17.024 1.00 0.00 H new ATOM 0 HH21 ARG A 233 43.165 15.360 13.911 1.00 0.00 H new ATOM 0 HH22 ARG A 233 42.770 15.450 15.630 1.00 0.00 H new