USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=11 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 74:sc= 0.914 USER MOD Set 1.2: A 209 ASN : amide:sc= 0.679 K(o=1.6,f=-0.35) USER MOD Single : A 162 SER OG : rot 27:sc= 0.161 USER MOD Single : A 167 ASN : amide:sc= 0.015 K(o=0.015,f=-3.6!) USER MOD Single : A 169 THR OG1 : rot 115:sc= 1.21 USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 172 SER OG : rot -64:sc= 1.34 USER MOD Single : A 173 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 67:sc= 1.21 USER MOD Single : A 182 SER OG : rot -39:sc= 0.798 USER MOD Single : A 183 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 186 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 202 MET CE :methyl 180:sc= 0 (180deg=0) 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= 0.851 K(o=0.85,f=0) USER MOD Single : A 220 TYR OH : rot -114:sc= 0.297 USER MOD Single : A 226 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 313 N SER A 162 50.920 18.647 8.309 1.00 0.00 N ATOM 314 CA SER A 162 51.717 17.821 9.228 1.00 0.00 C ATOM 315 C SER A 162 51.141 16.401 9.362 1.00 0.00 C ATOM 316 O SER A 162 49.996 16.140 8.983 1.00 0.00 O ATOM 317 CB SER A 162 51.773 18.484 10.621 1.00 0.00 C ATOM 318 OG SER A 162 52.120 19.858 10.561 1.00 0.00 O ATOM 0 HA SER A 162 52.722 17.743 8.812 1.00 0.00 H new ATOM 0 HB2 SER A 162 50.803 18.380 11.108 1.00 0.00 H new ATOM 0 HB3 SER A 162 52.499 17.957 11.240 1.00 0.00 H new ATOM 0 HG SER A 162 51.849 20.226 9.694 1.00 0.00 H new ATOM 324 N ILE A 163 51.927 15.458 9.901 1.00 0.00 N ATOM 325 CA ILE A 163 51.510 14.057 10.066 1.00 0.00 C ATOM 326 C ILE A 163 52.046 13.476 11.389 1.00 0.00 C ATOM 327 O ILE A 163 53.197 13.716 11.769 1.00 0.00 O ATOM 328 CB ILE A 163 51.865 13.200 8.816 1.00 0.00 C ATOM 329 CG1 ILE A 163 53.368 12.908 8.652 1.00 0.00 C ATOM 330 CG2 ILE A 163 51.361 13.832 7.497 1.00 0.00 C ATOM 331 CD1 ILE A 163 53.657 11.655 7.822 1.00 0.00 C ATOM 0 H ILE A 163 52.872 15.645 10.236 1.00 0.00 H new ATOM 0 HA ILE A 163 50.423 14.026 10.138 1.00 0.00 H new ATOM 0 HB ILE A 163 51.349 12.259 9.007 1.00 0.00 H new ATOM 0 HG12 ILE A 163 53.848 13.766 8.181 1.00 0.00 H new ATOM 0 HG13 ILE A 163 53.818 12.793 9.638 1.00 0.00 H new ATOM 0 HG21 ILE A 163 51.636 13.192 6.659 1.00 0.00 H new ATOM 0 HG22 ILE A 163 50.277 13.935 7.534 1.00 0.00 H new ATOM 0 HG23 ILE A 163 51.815 14.815 7.368 1.00 0.00 H new ATOM 0 HD11 ILE A 163 54.735 11.509 7.747 1.00 0.00 H new ATOM 0 HD12 ILE A 163 53.206 10.787 8.304 1.00 0.00 H new ATOM 0 HD13 ILE A 163 53.236 11.775 6.824 1.00 0.00 H new ATOM 343 N PHE A 164 51.198 12.713 12.082 1.00 0.00 N ATOM 344 CA PHE A 164 51.440 12.134 13.407 1.00 0.00 C ATOM 345 C PHE A 164 51.150 10.628 13.381 1.00 0.00 C ATOM 346 O PHE A 164 50.141 10.202 12.822 1.00 0.00 O ATOM 347 CB PHE A 164 50.546 12.843 14.432 1.00 0.00 C ATOM 348 CG PHE A 164 50.698 12.293 15.837 1.00 0.00 C ATOM 349 CD1 PHE A 164 51.810 12.662 16.614 1.00 0.00 C ATOM 350 CD2 PHE A 164 49.750 11.388 16.356 1.00 0.00 C ATOM 351 CE1 PHE A 164 51.969 12.146 17.912 1.00 0.00 C ATOM 352 CE2 PHE A 164 49.909 10.871 17.655 1.00 0.00 C ATOM 353 CZ PHE A 164 51.013 11.258 18.436 1.00 0.00 C ATOM 0 H PHE A 164 50.277 12.469 11.717 1.00 0.00 H new ATOM 0 HA PHE A 164 52.484 12.273 13.688 1.00 0.00 H new ATOM 0 HB2 PHE A 164 50.783 13.907 14.437 1.00 0.00 H new ATOM 0 HB3 PHE A 164 49.505 12.750 14.123 1.00 0.00 H new ATOM 0 HD1 PHE A 164 52.545 13.344 16.212 1.00 0.00 H new ATOM 0 HD2 PHE A 164 48.902 11.092 15.757 1.00 0.00 H new ATOM 0 HE1 PHE A 164 52.825 12.431 18.506 1.00 0.00 H new ATOM 0 HE2 PHE A 164 49.183 10.177 18.052 1.00 0.00 H new ATOM 0 HZ PHE A 164 51.126 10.873 19.439 1.00 0.00 H new ATOM 363 N VAL A 165 52.045 9.829 13.961 1.00 0.00 N ATOM 364 CA VAL A 165 52.234 8.404 13.641 1.00 0.00 C ATOM 365 C VAL A 165 52.176 7.563 14.930 1.00 0.00 C ATOM 366 O VAL A 165 52.788 7.939 15.927 1.00 0.00 O ATOM 367 CB VAL A 165 53.585 8.193 12.904 1.00 0.00 C ATOM 368 CG1 VAL A 165 53.681 6.789 12.289 1.00 0.00 C ATOM 369 CG2 VAL A 165 53.848 9.214 11.777 1.00 0.00 C ATOM 0 H VAL A 165 52.680 10.159 14.688 1.00 0.00 H new ATOM 0 HA VAL A 165 51.431 8.078 12.980 1.00 0.00 H new ATOM 0 HB VAL A 165 54.338 8.331 13.680 1.00 0.00 H new ATOM 0 HG11 VAL A 165 54.640 6.679 11.782 1.00 0.00 H new ATOM 0 HG12 VAL A 165 53.599 6.040 13.077 1.00 0.00 H new ATOM 0 HG13 VAL A 165 52.873 6.650 11.571 1.00 0.00 H new ATOM 0 HG21 VAL A 165 54.810 9.001 11.310 1.00 0.00 H new ATOM 0 HG22 VAL A 165 53.058 9.142 11.029 1.00 0.00 H new ATOM 0 HG23 VAL A 165 53.862 10.221 12.194 1.00 0.00 H new ATOM 379 N GLY A 166 51.434 6.446 14.902 1.00 0.00 N ATOM 380 CA GLY A 166 51.065 5.593 16.051 1.00 0.00 C ATOM 381 C GLY A 166 52.190 4.689 16.576 1.00 0.00 C ATOM 382 O GLY A 166 53.172 5.186 17.110 1.00 0.00 O ATOM 0 H GLY A 166 51.051 6.089 14.027 1.00 0.00 H new ATOM 0 HA2 GLY A 166 50.724 6.233 16.865 1.00 0.00 H new ATOM 0 HA3 GLY A 166 50.221 4.967 15.763 1.00 0.00 H new ATOM 386 N ASN A 167 52.038 3.359 16.496 1.00 0.00 N ATOM 387 CA ASN A 167 53.035 2.413 17.034 1.00 0.00 C ATOM 388 C ASN A 167 54.357 2.448 16.234 1.00 0.00 C ATOM 389 O ASN A 167 55.402 2.783 16.789 1.00 0.00 O ATOM 390 CB ASN A 167 52.426 0.999 17.103 1.00 0.00 C ATOM 391 CG ASN A 167 53.436 -0.040 17.593 1.00 0.00 C ATOM 392 OD1 ASN A 167 54.389 -0.375 16.898 1.00 0.00 O ATOM 393 ND2 ASN A 167 53.271 -0.563 18.793 1.00 0.00 N ATOM 0 H ASN A 167 51.231 2.910 16.062 1.00 0.00 H new ATOM 0 HA ASN A 167 53.295 2.720 18.047 1.00 0.00 H new ATOM 0 HB2 ASN A 167 51.564 1.008 17.770 1.00 0.00 H new ATOM 0 HB3 ASN A 167 52.062 0.713 16.116 1.00 0.00 H new ATOM 0 HD21 ASN A 167 53.938 -1.249 19.146 1.00 0.00 H new ATOM 0 HD22 ASN A 167 52.477 -0.281 19.367 1.00 0.00 H new ATOM 400 N LEU A 168 54.294 2.089 14.940 1.00 0.00 N ATOM 401 CA LEU A 168 55.333 2.267 13.905 1.00 0.00 C ATOM 402 C LEU A 168 56.674 1.524 14.115 1.00 0.00 C ATOM 403 O LEU A 168 57.591 1.740 13.322 1.00 0.00 O ATOM 404 CB LEU A 168 55.490 3.787 13.614 1.00 0.00 C ATOM 405 CG LEU A 168 56.584 4.559 14.405 1.00 0.00 C ATOM 406 CD1 LEU A 168 57.657 5.100 13.454 1.00 0.00 C ATOM 407 CD2 LEU A 168 56.013 5.759 15.170 1.00 0.00 C ATOM 0 H LEU A 168 53.462 1.637 14.562 1.00 0.00 H new ATOM 0 HA LEU A 168 54.971 1.751 13.016 1.00 0.00 H new ATOM 0 HB2 LEU A 168 55.696 3.907 12.550 1.00 0.00 H new ATOM 0 HB3 LEU A 168 54.531 4.268 13.809 1.00 0.00 H new ATOM 0 HG LEU A 168 57.005 3.843 15.111 1.00 0.00 H new ATOM 0 HD11 LEU A 168 58.413 5.637 14.027 1.00 0.00 H new ATOM 0 HD12 LEU A 168 58.125 4.271 12.923 1.00 0.00 H new ATOM 0 HD13 LEU A 168 57.197 5.778 12.735 1.00 0.00 H new ATOM 0 HD21 LEU A 168 56.816 6.265 15.706 1.00 0.00 H new ATOM 0 HD22 LEU A 168 55.553 6.453 14.467 1.00 0.00 H new ATOM 0 HD23 LEU A 168 55.263 5.413 15.882 1.00 0.00 H new ATOM 419 N THR A 169 56.782 0.685 15.161 1.00 0.00 N ATOM 420 CA THR A 169 58.024 0.159 15.766 1.00 0.00 C ATOM 421 C THR A 169 58.680 1.271 16.577 1.00 0.00 C ATOM 422 O THR A 169 59.383 2.127 16.036 1.00 0.00 O ATOM 423 CB THR A 169 59.004 -0.453 14.749 1.00 0.00 C ATOM 424 OG1 THR A 169 58.331 -1.455 14.031 1.00 0.00 O ATOM 425 CG2 THR A 169 60.201 -1.098 15.449 1.00 0.00 C ATOM 0 H THR A 169 55.952 0.332 15.638 1.00 0.00 H new ATOM 0 HA THR A 169 57.750 -0.672 16.416 1.00 0.00 H new ATOM 0 HB THR A 169 59.363 0.342 14.095 1.00 0.00 H new ATOM 0 HG1 THR A 169 58.263 -1.193 13.089 1.00 0.00 H new ATOM 0 HG21 THR A 169 60.874 -1.521 14.703 1.00 0.00 H new ATOM 0 HG22 THR A 169 60.732 -0.344 16.031 1.00 0.00 H new ATOM 0 HG23 THR A 169 59.852 -1.889 16.112 1.00 0.00 H new ATOM 433 N TYR A 170 58.453 1.258 17.891 1.00 0.00 N ATOM 434 CA TYR A 170 58.834 2.349 18.803 1.00 0.00 C ATOM 435 C TYR A 170 60.358 2.582 18.940 1.00 0.00 C ATOM 436 O TYR A 170 60.776 3.647 19.399 1.00 0.00 O ATOM 437 CB TYR A 170 58.182 2.103 20.174 1.00 0.00 C ATOM 438 CG TYR A 170 58.613 0.826 20.875 1.00 0.00 C ATOM 439 CD1 TYR A 170 59.773 0.816 21.676 1.00 0.00 C ATOM 440 CD2 TYR A 170 57.856 -0.355 20.725 1.00 0.00 C ATOM 441 CE1 TYR A 170 60.184 -0.368 22.314 1.00 0.00 C ATOM 442 CE2 TYR A 170 58.269 -1.546 21.351 1.00 0.00 C ATOM 443 CZ TYR A 170 59.433 -1.556 22.153 1.00 0.00 C ATOM 444 OH TYR A 170 59.835 -2.702 22.770 1.00 0.00 O ATOM 0 H TYR A 170 57.993 0.480 18.363 1.00 0.00 H new ATOM 0 HA TYR A 170 58.462 3.273 18.359 1.00 0.00 H new ATOM 0 HB2 TYR A 170 58.408 2.949 20.823 1.00 0.00 H new ATOM 0 HB3 TYR A 170 57.100 2.080 20.045 1.00 0.00 H new ATOM 0 HD1 TYR A 170 60.348 1.721 21.800 1.00 0.00 H new ATOM 0 HD2 TYR A 170 56.956 -0.345 20.128 1.00 0.00 H new ATOM 0 HE1 TYR A 170 61.073 -0.370 22.927 1.00 0.00 H new ATOM 0 HE2 TYR A 170 57.697 -2.452 21.219 1.00 0.00 H new ATOM 0 HH TYR A 170 59.209 -3.425 22.557 1.00 0.00 H new ATOM 454 N ASP A 171 61.180 1.616 18.518 1.00 0.00 N ATOM 455 CA ASP A 171 62.650 1.682 18.498 1.00 0.00 C ATOM 456 C ASP A 171 63.243 2.103 17.131 1.00 0.00 C ATOM 457 O ASP A 171 64.464 2.201 16.991 1.00 0.00 O ATOM 458 CB ASP A 171 63.237 0.357 19.014 1.00 0.00 C ATOM 459 CG ASP A 171 62.928 -0.843 18.105 1.00 0.00 C ATOM 460 OD1 ASP A 171 61.872 -1.490 18.310 1.00 0.00 O ATOM 461 OD2 ASP A 171 63.753 -1.155 17.213 1.00 0.00 O ATOM 0 H ASP A 171 60.826 0.727 18.165 1.00 0.00 H new ATOM 0 HA ASP A 171 62.946 2.485 19.173 1.00 0.00 H new ATOM 0 HB2 ASP A 171 64.318 0.461 19.112 1.00 0.00 H new ATOM 0 HB3 ASP A 171 62.845 0.158 20.011 1.00 0.00 H new ATOM 466 N SER A 172 62.402 2.369 16.124 1.00 0.00 N ATOM 467 CA SER A 172 62.834 2.930 14.829 1.00 0.00 C ATOM 468 C SER A 172 63.282 4.415 14.916 1.00 0.00 C ATOM 469 O SER A 172 63.055 5.096 15.926 1.00 0.00 O ATOM 470 CB SER A 172 61.729 2.736 13.772 1.00 0.00 C ATOM 471 OG SER A 172 60.569 3.491 14.066 1.00 0.00 O ATOM 0 H SER A 172 61.397 2.202 16.181 1.00 0.00 H new ATOM 0 HA SER A 172 63.722 2.376 14.524 1.00 0.00 H new ATOM 0 HB2 SER A 172 62.110 3.026 12.793 1.00 0.00 H new ATOM 0 HB3 SER A 172 61.467 1.680 13.712 1.00 0.00 H new ATOM 0 HG SER A 172 60.172 3.169 14.902 1.00 0.00 H new ATOM 477 N THR A 173 63.936 4.921 13.852 1.00 0.00 N ATOM 478 CA THR A 173 64.610 6.240 13.819 1.00 0.00 C ATOM 479 C THR A 173 64.093 7.135 12.676 1.00 0.00 C ATOM 480 O THR A 173 63.695 6.608 11.634 1.00 0.00 O ATOM 481 CB THR A 173 66.138 6.055 13.731 1.00 0.00 C ATOM 482 OG1 THR A 173 66.474 5.117 12.728 1.00 0.00 O ATOM 483 CG2 THR A 173 66.711 5.546 15.055 1.00 0.00 C ATOM 0 H THR A 173 64.014 4.415 12.970 1.00 0.00 H new ATOM 0 HA THR A 173 64.370 6.755 14.749 1.00 0.00 H new ATOM 0 HB THR A 173 66.560 7.031 13.494 1.00 0.00 H new ATOM 0 HG1 THR A 173 67.448 5.016 12.688 1.00 0.00 H new ATOM 0 HG21 THR A 173 67.790 5.425 14.962 1.00 0.00 H new ATOM 0 HG22 THR A 173 66.493 6.264 15.846 1.00 0.00 H new ATOM 0 HG23 THR A 173 66.259 4.586 15.302 1.00 0.00 H new ATOM 491 N PRO A 174 64.133 8.479 12.826 1.00 0.00 N ATOM 492 CA PRO A 174 63.469 9.412 11.911 1.00 0.00 C ATOM 493 C PRO A 174 64.176 9.630 10.566 1.00 0.00 C ATOM 494 O PRO A 174 63.531 10.094 9.631 1.00 0.00 O ATOM 495 CB PRO A 174 63.334 10.722 12.690 1.00 0.00 C ATOM 496 CG PRO A 174 64.523 10.687 13.647 1.00 0.00 C ATOM 497 CD PRO A 174 64.626 9.204 13.995 1.00 0.00 C ATOM 0 HA PRO A 174 62.509 8.991 11.612 1.00 0.00 H new ATOM 0 HB2 PRO A 174 63.375 11.588 12.030 1.00 0.00 H new ATOM 0 HB3 PRO A 174 62.387 10.775 13.227 1.00 0.00 H new ATOM 0 HG2 PRO A 174 65.434 11.057 13.176 1.00 0.00 H new ATOM 0 HG3 PRO A 174 64.350 11.300 14.532 1.00 0.00 H new ATOM 0 HD2 PRO A 174 65.656 8.927 14.220 1.00 0.00 H new ATOM 0 HD3 PRO A 174 64.033 8.969 14.879 1.00 0.00 H new ATOM 505 N GLU A 175 65.462 9.283 10.422 1.00 0.00 N ATOM 506 CA GLU A 175 66.166 9.402 9.136 1.00 0.00 C ATOM 507 C GLU A 175 65.624 8.409 8.088 1.00 0.00 C ATOM 508 O GLU A 175 65.469 8.758 6.915 1.00 0.00 O ATOM 509 CB GLU A 175 67.676 9.220 9.362 1.00 0.00 C ATOM 510 CG GLU A 175 68.496 9.488 8.094 1.00 0.00 C ATOM 511 CD GLU A 175 70.001 9.430 8.385 1.00 0.00 C ATOM 512 OE1 GLU A 175 70.585 8.320 8.368 1.00 0.00 O ATOM 513 OE2 GLU A 175 70.618 10.497 8.625 1.00 0.00 O ATOM 0 H GLU A 175 66.037 8.917 11.181 1.00 0.00 H new ATOM 0 HA GLU A 175 65.986 10.398 8.732 1.00 0.00 H new ATOM 0 HB2 GLU A 175 68.006 9.894 10.153 1.00 0.00 H new ATOM 0 HB3 GLU A 175 67.869 8.204 9.707 1.00 0.00 H new ATOM 0 HG2 GLU A 175 68.242 8.752 7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 175 68.238 10.467 7.691 1.00 0.00 H new ATOM 520 N ASP A 176 65.254 7.192 8.506 1.00 0.00 N ATOM 521 CA ASP A 176 64.666 6.189 7.609 1.00 0.00 C ATOM 522 C ASP A 176 63.219 6.550 7.229 1.00 0.00 C ATOM 523 O ASP A 176 62.827 6.396 6.073 1.00 0.00 O ATOM 524 CB ASP A 176 64.759 4.800 8.252 1.00 0.00 C ATOM 525 CG ASP A 176 64.524 3.693 7.211 1.00 0.00 C ATOM 526 OD1 ASP A 176 65.486 3.345 6.486 1.00 0.00 O ATOM 527 OD2 ASP A 176 63.391 3.165 7.130 1.00 0.00 O ATOM 0 H ASP A 176 65.353 6.876 9.471 1.00 0.00 H new ATOM 0 HA ASP A 176 65.235 6.175 6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 176 65.740 4.672 8.709 1.00 0.00 H new ATOM 0 HB3 ASP A 176 64.022 4.715 9.051 1.00 0.00 H new ATOM 532 N LEU A 177 62.462 7.139 8.171 1.00 0.00 N ATOM 533 CA LEU A 177 61.158 7.763 7.909 1.00 0.00 C ATOM 534 C LEU A 177 61.280 8.972 6.974 1.00 0.00 C ATOM 535 O LEU A 177 60.382 9.186 6.163 1.00 0.00 O ATOM 536 CB LEU A 177 60.500 8.178 9.237 1.00 0.00 C ATOM 537 CG LEU A 177 59.928 6.979 10.016 1.00 0.00 C ATOM 538 CD1 LEU A 177 59.933 7.281 11.514 1.00 0.00 C ATOM 539 CD2 LEU A 177 58.492 6.647 9.577 1.00 0.00 C ATOM 0 H LEU A 177 62.745 7.195 9.149 1.00 0.00 H new ATOM 0 HA LEU A 177 60.530 7.026 7.407 1.00 0.00 H new ATOM 0 HB2 LEU A 177 61.235 8.692 9.857 1.00 0.00 H new ATOM 0 HB3 LEU A 177 59.700 8.890 9.035 1.00 0.00 H new ATOM 0 HG LEU A 177 60.561 6.118 9.802 1.00 0.00 H new ATOM 0 HD11 LEU A 177 59.527 6.428 12.058 1.00 0.00 H new ATOM 0 HD12 LEU A 177 60.955 7.469 11.844 1.00 0.00 H new ATOM 0 HD13 LEU A 177 59.321 8.161 11.710 1.00 0.00 H new ATOM 0 HD21 LEU A 177 58.124 5.796 10.150 1.00 0.00 H new ATOM 0 HD22 LEU A 177 57.849 7.509 9.754 1.00 0.00 H new ATOM 0 HD23 LEU A 177 58.484 6.401 8.515 1.00 0.00 H new ATOM 551 N THR A 178 62.383 9.734 7.036 1.00 0.00 N ATOM 552 CA THR A 178 62.634 10.870 6.133 1.00 0.00 C ATOM 553 C THR A 178 62.804 10.364 4.709 1.00 0.00 C ATOM 554 O THR A 178 62.119 10.860 3.820 1.00 0.00 O ATOM 555 CB THR A 178 63.841 11.713 6.569 1.00 0.00 C ATOM 556 OG1 THR A 178 63.604 12.218 7.860 1.00 0.00 O ATOM 557 CG2 THR A 178 64.066 12.918 5.651 1.00 0.00 C ATOM 0 H THR A 178 63.128 9.580 7.715 1.00 0.00 H new ATOM 0 HA THR A 178 61.768 11.531 6.180 1.00 0.00 H new ATOM 0 HB THR A 178 64.717 11.066 6.531 1.00 0.00 H new ATOM 0 HG1 THR A 178 63.589 11.479 8.503 1.00 0.00 H new ATOM 0 HG21 THR A 178 64.930 13.484 5.999 1.00 0.00 H new ATOM 0 HG22 THR A 178 64.245 12.572 4.633 1.00 0.00 H new ATOM 0 HG23 THR A 178 63.183 13.557 5.667 1.00 0.00 H new ATOM 565 N GLU A 179 63.648 9.355 4.489 1.00 0.00 N ATOM 566 CA GLU A 179 63.836 8.763 3.160 1.00 0.00 C ATOM 567 C GLU A 179 62.538 8.126 2.622 1.00 0.00 C ATOM 568 O GLU A 179 62.201 8.301 1.451 1.00 0.00 O ATOM 569 CB GLU A 179 64.991 7.750 3.208 1.00 0.00 C ATOM 570 CG GLU A 179 65.350 7.218 1.816 1.00 0.00 C ATOM 571 CD GLU A 179 66.602 6.332 1.865 1.00 0.00 C ATOM 572 OE1 GLU A 179 66.473 5.101 2.067 1.00 0.00 O ATOM 573 OE2 GLU A 179 67.726 6.859 1.682 1.00 0.00 O ATOM 0 H GLU A 179 64.217 8.927 5.219 1.00 0.00 H new ATOM 0 HA GLU A 179 64.095 9.558 2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 179 65.868 8.221 3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 179 64.715 6.917 3.854 1.00 0.00 H new ATOM 0 HG2 GLU A 179 64.513 6.647 1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 179 65.519 8.054 1.137 1.00 0.00 H new ATOM 580 N PHE A 180 61.781 7.431 3.477 1.00 0.00 N ATOM 581 CA PHE A 180 60.497 6.810 3.152 1.00 0.00 C ATOM 582 C PHE A 180 59.441 7.844 2.719 1.00 0.00 C ATOM 583 O PHE A 180 58.914 7.753 1.608 1.00 0.00 O ATOM 584 CB PHE A 180 60.062 6.010 4.387 1.00 0.00 C ATOM 585 CG PHE A 180 58.713 5.326 4.314 1.00 0.00 C ATOM 586 CD1 PHE A 180 58.595 4.059 3.712 1.00 0.00 C ATOM 587 CD2 PHE A 180 57.603 5.900 4.963 1.00 0.00 C ATOM 588 CE1 PHE A 180 57.383 3.350 3.793 1.00 0.00 C ATOM 589 CE2 PHE A 180 56.390 5.196 5.034 1.00 0.00 C ATOM 590 CZ PHE A 180 56.284 3.916 4.463 1.00 0.00 C ATOM 0 H PHE A 180 62.057 7.281 4.448 1.00 0.00 H new ATOM 0 HA PHE A 180 60.602 6.148 2.293 1.00 0.00 H new ATOM 0 HB2 PHE A 180 60.818 5.250 4.584 1.00 0.00 H new ATOM 0 HB3 PHE A 180 60.056 6.684 5.244 1.00 0.00 H new ATOM 0 HD1 PHE A 180 59.436 3.631 3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 180 57.685 6.882 5.406 1.00 0.00 H new ATOM 0 HE1 PHE A 180 57.297 2.373 3.341 1.00 0.00 H new ATOM 0 HE2 PHE A 180 55.538 5.639 5.528 1.00 0.00 H new ATOM 0 HZ PHE A 180 55.357 3.367 4.539 1.00 0.00 H new ATOM 600 N PHE A 181 59.160 8.849 3.559 1.00 0.00 N ATOM 601 CA PHE A 181 58.159 9.877 3.277 1.00 0.00 C ATOM 602 C PHE A 181 58.584 10.860 2.177 1.00 0.00 C ATOM 603 O PHE A 181 57.792 11.186 1.296 1.00 0.00 O ATOM 604 CB PHE A 181 57.754 10.590 4.579 1.00 0.00 C ATOM 605 CG PHE A 181 56.717 9.845 5.406 1.00 0.00 C ATOM 606 CD1 PHE A 181 55.420 9.647 4.889 1.00 0.00 C ATOM 607 CD2 PHE A 181 57.022 9.370 6.698 1.00 0.00 C ATOM 608 CE1 PHE A 181 54.436 9.000 5.657 1.00 0.00 C ATOM 609 CE2 PHE A 181 56.037 8.717 7.463 1.00 0.00 C ATOM 610 CZ PHE A 181 54.743 8.534 6.944 1.00 0.00 C ATOM 0 H PHE A 181 59.626 8.969 4.458 1.00 0.00 H new ATOM 0 HA PHE A 181 57.281 9.373 2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 181 58.645 10.743 5.188 1.00 0.00 H new ATOM 0 HB3 PHE A 181 57.363 11.577 4.332 1.00 0.00 H new ATOM 0 HD1 PHE A 181 55.181 9.995 3.895 1.00 0.00 H new ATOM 0 HD2 PHE A 181 58.014 9.508 7.102 1.00 0.00 H new ATOM 0 HE1 PHE A 181 53.443 8.862 5.256 1.00 0.00 H new ATOM 0 HE2 PHE A 181 56.276 8.355 8.452 1.00 0.00 H new ATOM 0 HZ PHE A 181 53.988 8.036 7.534 1.00 0.00 H new ATOM 620 N SER A 182 59.831 11.329 2.192 1.00 0.00 N ATOM 621 CA SER A 182 60.285 12.412 1.300 1.00 0.00 C ATOM 622 C SER A 182 60.479 12.010 -0.174 1.00 0.00 C ATOM 623 O SER A 182 60.554 12.894 -1.027 1.00 0.00 O ATOM 624 CB SER A 182 61.531 13.117 1.855 1.00 0.00 C ATOM 625 OG SER A 182 61.577 14.465 1.403 1.00 0.00 O ATOM 0 H SER A 182 60.556 10.976 2.816 1.00 0.00 H new ATOM 0 HA SER A 182 59.455 13.119 1.288 1.00 0.00 H new ATOM 0 HB2 SER A 182 61.517 13.092 2.945 1.00 0.00 H new ATOM 0 HB3 SER A 182 62.429 12.588 1.536 1.00 0.00 H new ATOM 0 HG SER A 182 61.279 14.508 0.470 1.00 0.00 H new ATOM 631 N GLN A 183 60.485 10.711 -0.513 1.00 0.00 N ATOM 632 CA GLN A 183 60.466 10.252 -1.917 1.00 0.00 C ATOM 633 C GLN A 183 59.189 10.674 -2.675 1.00 0.00 C ATOM 634 O GLN A 183 59.172 10.668 -3.907 1.00 0.00 O ATOM 635 CB GLN A 183 60.644 8.725 -1.974 1.00 0.00 C ATOM 636 CG GLN A 183 62.124 8.324 -1.908 1.00 0.00 C ATOM 637 CD GLN A 183 62.276 6.812 -1.764 1.00 0.00 C ATOM 638 OE1 GLN A 183 62.410 6.067 -2.729 1.00 0.00 O ATOM 639 NE2 GLN A 183 62.245 6.306 -0.550 1.00 0.00 N ATOM 0 H GLN A 183 60.503 9.953 0.169 1.00 0.00 H new ATOM 0 HA GLN A 183 61.300 10.740 -2.421 1.00 0.00 H new ATOM 0 HB2 GLN A 183 60.105 8.264 -1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 183 60.203 8.341 -2.894 1.00 0.00 H new ATOM 0 HG2 GLN A 183 62.636 8.660 -2.810 1.00 0.00 H new ATOM 0 HG3 GLN A 183 62.602 8.823 -1.065 1.00 0.00 H new ATOM 0 HE21 GLN A 183 62.134 6.921 0.256 1.00 0.00 H new ATOM 0 HE22 GLN A 183 62.332 5.299 -0.415 1.00 0.00 H new ATOM 648 N ILE A 184 58.133 11.077 -1.958 1.00 0.00 N ATOM 649 CA ILE A 184 56.890 11.627 -2.529 1.00 0.00 C ATOM 650 C ILE A 184 57.087 13.056 -3.070 1.00 0.00 C ATOM 651 O ILE A 184 56.465 13.431 -4.070 1.00 0.00 O ATOM 652 CB ILE A 184 55.797 11.599 -1.435 1.00 0.00 C ATOM 653 CG1 ILE A 184 55.520 10.165 -0.926 1.00 0.00 C ATOM 654 CG2 ILE A 184 54.490 12.270 -1.887 1.00 0.00 C ATOM 655 CD1 ILE A 184 54.712 9.277 -1.876 1.00 0.00 C ATOM 0 H ILE A 184 58.115 11.030 -0.939 1.00 0.00 H new ATOM 0 HA ILE A 184 56.588 11.014 -3.378 1.00 0.00 H new ATOM 0 HB ILE A 184 56.195 12.182 -0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 184 56.474 9.678 -0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 184 54.989 10.231 0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 184 53.758 12.222 -1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 184 54.684 13.313 -2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 184 54.099 11.752 -2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 184 54.573 8.294 -1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 184 53.739 9.732 -2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 184 55.248 9.171 -2.819 1.00 0.00 H new ATOM 667 N GLY A 185 57.965 13.837 -2.429 1.00 0.00 N ATOM 668 CA GLY A 185 58.141 15.273 -2.656 1.00 0.00 C ATOM 669 C GLY A 185 59.126 15.904 -1.674 1.00 0.00 C ATOM 670 O GLY A 185 60.303 16.060 -2.005 1.00 0.00 O ATOM 0 H GLY A 185 58.593 13.472 -1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 185 58.494 15.436 -3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 185 57.176 15.772 -2.569 1.00 0.00 H new ATOM 674 N LYS A 186 58.654 16.287 -0.477 1.00 0.00 N ATOM 675 CA LYS A 186 59.436 17.087 0.483 1.00 0.00 C ATOM 676 C LYS A 186 58.967 16.956 1.954 1.00 0.00 C ATOM 677 O LYS A 186 58.008 17.603 2.376 1.00 0.00 O ATOM 678 CB LYS A 186 59.453 18.548 -0.019 1.00 0.00 C ATOM 679 CG LYS A 186 60.432 19.444 0.758 1.00 0.00 C ATOM 680 CD LYS A 186 60.794 20.727 -0.010 1.00 0.00 C ATOM 681 CE LYS A 186 59.566 21.512 -0.501 1.00 0.00 C ATOM 682 NZ LYS A 186 59.958 22.757 -1.216 1.00 0.00 N ATOM 0 H LYS A 186 57.719 16.051 -0.146 1.00 0.00 H new ATOM 0 HA LYS A 186 60.452 16.693 0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 186 59.721 18.559 -1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 186 58.449 18.964 0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 186 59.991 19.712 1.718 1.00 0.00 H new ATOM 0 HG3 LYS A 186 61.342 18.883 0.971 1.00 0.00 H new ATOM 0 HD2 LYS A 186 61.393 21.370 0.634 1.00 0.00 H new ATOM 0 HD3 LYS A 186 61.415 20.466 -0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 186 58.973 20.883 -1.165 1.00 0.00 H new ATOM 0 HE3 LYS A 186 58.932 21.765 0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 59.104 23.259 -1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 60.502 23.369 -0.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 60.542 22.514 -2.041 1.00 0.00 H new ATOM 696 N VAL A 187 59.715 16.186 2.758 1.00 0.00 N ATOM 697 CA VAL A 187 59.750 16.311 4.233 1.00 0.00 C ATOM 698 C VAL A 187 60.622 17.522 4.576 1.00 0.00 C ATOM 699 O VAL A 187 61.696 17.680 3.998 1.00 0.00 O ATOM 700 CB VAL A 187 60.338 15.049 4.915 1.00 0.00 C ATOM 701 CG1 VAL A 187 60.699 15.247 6.398 1.00 0.00 C ATOM 702 CG2 VAL A 187 59.348 13.884 4.836 1.00 0.00 C ATOM 0 H VAL A 187 60.323 15.448 2.403 1.00 0.00 H new ATOM 0 HA VAL A 187 58.730 16.430 4.599 1.00 0.00 H new ATOM 0 HB VAL A 187 61.256 14.838 4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 187 61.103 14.319 6.801 1.00 0.00 H new ATOM 0 HG12 VAL A 187 61.444 16.037 6.489 1.00 0.00 H new ATOM 0 HG13 VAL A 187 59.805 15.526 6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 187 59.778 13.007 5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 187 58.422 14.159 5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 187 59.138 13.655 3.791 1.00 0.00 H new ATOM 712 N VAL A 188 60.182 18.345 5.530 1.00 0.00 N ATOM 713 CA VAL A 188 60.958 19.474 6.076 1.00 0.00 C ATOM 714 C VAL A 188 61.525 19.186 7.476 1.00 0.00 C ATOM 715 O VAL A 188 62.515 19.800 7.874 1.00 0.00 O ATOM 716 CB VAL A 188 60.110 20.759 6.016 1.00 0.00 C ATOM 717 CG1 VAL A 188 59.122 20.976 7.168 1.00 0.00 C ATOM 718 CG2 VAL A 188 60.986 21.998 5.832 1.00 0.00 C ATOM 0 H VAL A 188 59.260 18.249 5.956 1.00 0.00 H new ATOM 0 HA VAL A 188 61.839 19.622 5.452 1.00 0.00 H new ATOM 0 HB VAL A 188 59.482 20.604 5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 188 58.584 21.912 7.015 1.00 0.00 H new ATOM 0 HG12 VAL A 188 58.412 20.150 7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 188 59.667 21.021 8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 188 60.356 22.887 5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 188 61.680 22.081 6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 188 61.548 21.911 4.902 1.00 0.00 H new ATOM 728 N ARG A 189 60.941 18.206 8.182 1.00 0.00 N ATOM 729 CA ARG A 189 61.418 17.686 9.476 1.00 0.00 C ATOM 730 C ARG A 189 60.766 16.336 9.822 1.00 0.00 C ATOM 731 O ARG A 189 59.563 16.198 9.652 1.00 0.00 O ATOM 732 CB ARG A 189 61.084 18.711 10.580 1.00 0.00 C ATOM 733 CG ARG A 189 61.967 18.561 11.830 1.00 0.00 C ATOM 734 CD ARG A 189 61.368 19.273 13.051 1.00 0.00 C ATOM 735 NE ARG A 189 60.942 20.653 12.764 1.00 0.00 N ATOM 736 CZ ARG A 189 61.671 21.760 12.773 1.00 0.00 C ATOM 737 NH1 ARG A 189 62.964 21.756 13.029 1.00 0.00 N ATOM 738 NH2 ARG A 189 61.081 22.906 12.514 1.00 0.00 N ATOM 0 H ARG A 189 60.095 17.737 7.858 1.00 0.00 H new ATOM 0 HA ARG A 189 62.495 17.530 9.406 1.00 0.00 H new ATOM 0 HB2 ARG A 189 61.200 19.718 10.179 1.00 0.00 H new ATOM 0 HB3 ARG A 189 60.038 18.600 10.866 1.00 0.00 H new ATOM 0 HG2 ARG A 189 62.097 17.503 12.056 1.00 0.00 H new ATOM 0 HG3 ARG A 189 62.957 18.967 11.624 1.00 0.00 H new ATOM 0 HD2 ARG A 189 60.512 18.703 13.413 1.00 0.00 H new ATOM 0 HD3 ARG A 189 62.105 19.286 13.854 1.00 0.00 H new ATOM 0 HE ARG A 189 59.957 20.773 12.527 1.00 0.00 H new ATOM 0 HH11 ARG A 189 63.441 20.877 13.230 1.00 0.00 H new ATOM 0 HH12 ARG A 189 63.487 22.632 13.026 1.00 0.00 H new ATOM 0 HH21 ARG A 189 60.082 22.931 12.312 1.00 0.00 H new ATOM 0 HH22 ARG A 189 61.623 23.770 12.516 1.00 0.00 H new ATOM 752 N ALA A 190 61.506 15.372 10.369 1.00 0.00 N ATOM 753 CA ALA A 190 60.968 14.176 11.042 1.00 0.00 C ATOM 754 C ALA A 190 61.614 13.976 12.427 1.00 0.00 C ATOM 755 O ALA A 190 62.798 14.278 12.601 1.00 0.00 O ATOM 756 CB ALA A 190 61.217 12.955 10.149 1.00 0.00 C ATOM 0 H ALA A 190 62.526 15.396 10.359 1.00 0.00 H new ATOM 0 HA ALA A 190 59.897 14.306 11.201 1.00 0.00 H new ATOM 0 HB1 ALA A 190 60.824 12.062 10.635 1.00 0.00 H new ATOM 0 HB2 ALA A 190 60.717 13.097 9.191 1.00 0.00 H new ATOM 0 HB3 ALA A 190 62.288 12.837 9.985 1.00 0.00 H new ATOM 762 N ASP A 191 60.862 13.437 13.397 1.00 0.00 N ATOM 763 CA ASP A 191 61.384 13.082 14.727 1.00 0.00 C ATOM 764 C ASP A 191 60.517 12.044 15.474 1.00 0.00 C ATOM 765 O ASP A 191 59.300 11.960 15.295 1.00 0.00 O ATOM 766 CB ASP A 191 61.613 14.339 15.597 1.00 0.00 C ATOM 767 CG ASP A 191 62.756 14.181 16.623 1.00 0.00 C ATOM 768 OD1 ASP A 191 63.193 13.036 16.902 1.00 0.00 O ATOM 769 OD2 ASP A 191 63.228 15.224 17.136 1.00 0.00 O ATOM 0 H ASP A 191 59.869 13.233 13.282 1.00 0.00 H new ATOM 0 HA ASP A 191 62.346 12.602 14.548 1.00 0.00 H new ATOM 0 HB2 ASP A 191 61.834 15.185 14.947 1.00 0.00 H new ATOM 0 HB3 ASP A 191 60.691 14.577 16.127 1.00 0.00 H new ATOM 774 N ILE A 192 61.174 11.279 16.348 1.00 0.00 N ATOM 775 CA ILE A 192 60.578 10.333 17.309 1.00 0.00 C ATOM 776 C ILE A 192 60.806 10.798 18.768 1.00 0.00 C ATOM 777 O ILE A 192 60.067 10.401 19.670 1.00 0.00 O ATOM 778 CB ILE A 192 61.138 8.904 17.062 1.00 0.00 C ATOM 779 CG1 ILE A 192 60.983 8.407 15.600 1.00 0.00 C ATOM 780 CG2 ILE A 192 60.507 7.873 18.020 1.00 0.00 C ATOM 781 CD1 ILE A 192 59.542 8.325 15.083 1.00 0.00 C ATOM 0 H ILE A 192 62.192 11.300 16.412 1.00 0.00 H new ATOM 0 HA ILE A 192 59.500 10.306 17.153 1.00 0.00 H new ATOM 0 HB ILE A 192 62.206 8.989 17.261 1.00 0.00 H new ATOM 0 HG12 ILE A 192 61.548 9.071 14.946 1.00 0.00 H new ATOM 0 HG13 ILE A 192 61.437 7.419 15.520 1.00 0.00 H new ATOM 0 HG21 ILE A 192 60.923 6.886 17.817 1.00 0.00 H new ATOM 0 HG22 ILE A 192 60.724 8.154 19.051 1.00 0.00 H new ATOM 0 HG23 ILE A 192 59.428 7.850 17.870 1.00 0.00 H new ATOM 0 HD11 ILE A 192 59.545 7.967 14.053 1.00 0.00 H new ATOM 0 HD12 ILE A 192 58.971 7.636 15.705 1.00 0.00 H new ATOM 0 HD13 ILE A 192 59.084 9.314 15.123 1.00 0.00 H new ATOM 933 N MET A 202 55.113 7.019 19.745 1.00 0.00 N ATOM 934 CA MET A 202 54.534 7.846 18.677 1.00 0.00 C ATOM 935 C MET A 202 55.527 8.852 18.077 1.00 0.00 C ATOM 936 O MET A 202 56.257 9.535 18.800 1.00 0.00 O ATOM 937 CB MET A 202 53.266 8.576 19.150 1.00 0.00 C ATOM 938 CG MET A 202 52.133 7.623 19.554 1.00 0.00 C ATOM 939 SD MET A 202 52.164 7.005 21.260 1.00 0.00 S ATOM 940 CE MET A 202 51.547 8.479 22.114 1.00 0.00 C ATOM 0 HA MET A 202 54.268 7.147 17.884 1.00 0.00 H new ATOM 0 HB2 MET A 202 53.517 9.212 19.999 1.00 0.00 H new ATOM 0 HB3 MET A 202 52.914 9.231 18.353 1.00 0.00 H new ATOM 0 HG2 MET A 202 51.184 8.134 19.394 1.00 0.00 H new ATOM 0 HG3 MET A 202 52.151 6.766 18.880 1.00 0.00 H new ATOM 0 HE1 MET A 202 51.498 8.285 23.185 1.00 0.00 H new ATOM 0 HE2 MET A 202 52.220 9.316 21.927 1.00 0.00 H new ATOM 0 HE3 MET A 202 50.552 8.724 21.744 1.00 0.00 H new ATOM 950 N GLY A 203 55.521 8.945 16.742 1.00 0.00 N ATOM 951 CA GLY A 203 56.380 9.823 15.936 1.00 0.00 C ATOM 952 C GLY A 203 55.615 10.906 15.175 1.00 0.00 C ATOM 953 O GLY A 203 54.389 10.833 15.043 1.00 0.00 O ATOM 0 H GLY A 203 54.890 8.386 16.168 1.00 0.00 H new ATOM 0 HA2 GLY A 203 57.112 10.299 16.589 1.00 0.00 H new ATOM 0 HA3 GLY A 203 56.937 9.216 15.223 1.00 0.00 H new ATOM 957 N THR A 204 56.353 11.871 14.612 1.00 0.00 N ATOM 958 CA THR A 204 55.810 13.028 13.875 1.00 0.00 C ATOM 959 C THR A 204 56.689 13.331 12.668 1.00 0.00 C ATOM 960 O THR A 204 57.912 13.215 12.748 1.00 0.00 O ATOM 961 CB THR A 204 55.742 14.269 14.781 1.00 0.00 C ATOM 962 OG1 THR A 204 55.101 13.946 15.995 1.00 0.00 O ATOM 963 CG2 THR A 204 54.938 15.398 14.125 1.00 0.00 C ATOM 0 H THR A 204 57.372 11.872 14.656 1.00 0.00 H new ATOM 0 HA THR A 204 54.802 12.780 13.543 1.00 0.00 H new ATOM 0 HB THR A 204 56.767 14.598 14.952 1.00 0.00 H new ATOM 0 HG1 THR A 204 55.063 14.741 16.567 1.00 0.00 H new ATOM 0 HG21 THR A 204 54.910 16.260 14.792 1.00 0.00 H new ATOM 0 HG22 THR A 204 55.410 15.682 13.185 1.00 0.00 H new ATOM 0 HG23 THR A 204 53.921 15.056 13.931 1.00 0.00 H new ATOM 971 N VAL A 205 56.073 13.765 11.567 1.00 0.00 N ATOM 972 CA VAL A 205 56.781 14.271 10.376 1.00 0.00 C ATOM 973 C VAL A 205 56.067 15.528 9.861 1.00 0.00 C ATOM 974 O VAL A 205 54.840 15.584 9.807 1.00 0.00 O ATOM 975 CB VAL A 205 56.915 13.196 9.263 1.00 0.00 C ATOM 976 CG1 VAL A 205 57.748 13.671 8.065 1.00 0.00 C ATOM 977 CG2 VAL A 205 57.488 11.857 9.760 1.00 0.00 C ATOM 0 H VAL A 205 55.058 13.778 11.470 1.00 0.00 H new ATOM 0 HA VAL A 205 57.800 14.527 10.666 1.00 0.00 H new ATOM 0 HB VAL A 205 55.886 13.033 8.942 1.00 0.00 H new ATOM 0 HG11 VAL A 205 57.804 12.875 7.322 1.00 0.00 H new ATOM 0 HG12 VAL A 205 57.279 14.549 7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 205 58.753 13.927 8.399 1.00 0.00 H new ATOM 0 HG21 VAL A 205 57.552 11.157 8.927 1.00 0.00 H new ATOM 0 HG22 VAL A 205 58.483 12.019 10.175 1.00 0.00 H new ATOM 0 HG23 VAL A 205 56.836 11.446 10.530 1.00 0.00 H new ATOM 987 N GLU A 206 56.847 16.542 9.498 1.00 0.00 N ATOM 988 CA GLU A 206 56.409 17.774 8.852 1.00 0.00 C ATOM 989 C GLU A 206 56.787 17.727 7.369 1.00 0.00 C ATOM 990 O GLU A 206 57.964 17.664 6.999 1.00 0.00 O ATOM 991 CB GLU A 206 57.049 19.009 9.507 1.00 0.00 C ATOM 992 CG GLU A 206 56.636 19.230 10.965 1.00 0.00 C ATOM 993 CD GLU A 206 57.143 20.594 11.462 1.00 0.00 C ATOM 994 OE1 GLU A 206 56.476 21.624 11.201 1.00 0.00 O ATOM 995 OE2 GLU A 206 58.214 20.648 12.112 1.00 0.00 O ATOM 0 H GLU A 206 57.855 16.525 9.655 1.00 0.00 H new ATOM 0 HA GLU A 206 55.328 17.855 8.964 1.00 0.00 H new ATOM 0 HB2 GLU A 206 58.134 18.911 9.459 1.00 0.00 H new ATOM 0 HB3 GLU A 206 56.783 19.893 8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 206 55.551 19.183 11.054 1.00 0.00 H new ATOM 0 HG3 GLU A 206 57.041 18.434 11.590 1.00 0.00 H new ATOM 1002 N PHE A 207 55.770 17.808 6.519 1.00 0.00 N ATOM 1003 CA PHE A 207 55.881 18.127 5.098 1.00 0.00 C ATOM 1004 C PHE A 207 55.698 19.645 4.908 1.00 0.00 C ATOM 1005 O PHE A 207 55.402 20.373 5.863 1.00 0.00 O ATOM 1006 CB PHE A 207 54.782 17.356 4.352 1.00 0.00 C ATOM 1007 CG PHE A 207 55.029 15.890 4.038 1.00 0.00 C ATOM 1008 CD1 PHE A 207 55.261 14.956 5.067 1.00 0.00 C ATOM 1009 CD2 PHE A 207 54.926 15.437 2.706 1.00 0.00 C ATOM 1010 CE1 PHE A 207 55.394 13.591 4.762 1.00 0.00 C ATOM 1011 CE2 PHE A 207 55.039 14.069 2.402 1.00 0.00 C ATOM 1012 CZ PHE A 207 55.266 13.147 3.433 1.00 0.00 C ATOM 0 H PHE A 207 54.806 17.647 6.811 1.00 0.00 H new ATOM 0 HA PHE A 207 56.858 17.843 4.707 1.00 0.00 H new ATOM 0 HB2 PHE A 207 53.868 17.422 4.942 1.00 0.00 H new ATOM 0 HB3 PHE A 207 54.592 17.872 3.411 1.00 0.00 H new ATOM 0 HD1 PHE A 207 55.337 15.290 6.091 1.00 0.00 H new ATOM 0 HD2 PHE A 207 54.759 16.149 1.911 1.00 0.00 H new ATOM 0 HE1 PHE A 207 55.595 12.880 5.550 1.00 0.00 H new ATOM 0 HE2 PHE A 207 54.951 13.731 1.380 1.00 0.00 H new ATOM 0 HZ PHE A 207 55.343 12.094 3.207 1.00 0.00 H new ATOM 1022 N THR A 208 55.836 20.128 3.665 1.00 0.00 N ATOM 1023 CA THR A 208 55.617 21.544 3.319 1.00 0.00 C ATOM 1024 C THR A 208 54.226 21.841 2.747 1.00 0.00 C ATOM 1025 O THR A 208 53.836 23.007 2.730 1.00 0.00 O ATOM 1026 CB THR A 208 56.732 22.056 2.399 1.00 0.00 C ATOM 1027 OG1 THR A 208 56.661 21.399 1.154 1.00 0.00 O ATOM 1028 CG2 THR A 208 58.121 21.802 2.986 1.00 0.00 C ATOM 0 H THR A 208 56.103 19.549 2.869 1.00 0.00 H new ATOM 0 HA THR A 208 55.657 22.095 4.259 1.00 0.00 H new ATOM 0 HB THR A 208 56.586 23.130 2.287 1.00 0.00 H new ATOM 0 HG1 THR A 208 55.902 21.749 0.643 1.00 0.00 H new ATOM 0 HG21 THR A 208 58.880 22.181 2.301 1.00 0.00 H new ATOM 0 HG22 THR A 208 58.210 22.313 3.945 1.00 0.00 H new ATOM 0 HG23 THR A 208 58.265 20.731 3.131 1.00 0.00 H new ATOM 1036 N ASN A 209 53.464 20.824 2.310 1.00 0.00 N ATOM 1037 CA ASN A 209 52.181 20.994 1.607 1.00 0.00 C ATOM 1038 C ASN A 209 51.198 19.832 1.847 1.00 0.00 C ATOM 1039 O ASN A 209 51.516 18.674 1.584 1.00 0.00 O ATOM 1040 CB ASN A 209 52.431 21.139 0.090 1.00 0.00 C ATOM 1041 CG ASN A 209 53.258 22.366 -0.290 1.00 0.00 C ATOM 1042 OD1 ASN A 209 54.483 22.321 -0.352 1.00 0.00 O ATOM 1043 ND2 ASN A 209 52.617 23.489 -0.567 1.00 0.00 N ATOM 0 H ASN A 209 53.726 19.846 2.437 1.00 0.00 H new ATOM 0 HA ASN A 209 51.722 21.895 2.013 1.00 0.00 H new ATOM 0 HB2 ASN A 209 52.940 20.245 -0.271 1.00 0.00 H new ATOM 0 HB3 ASN A 209 51.470 21.188 -0.423 1.00 0.00 H new ATOM 0 HD21 ASN A 209 53.141 24.323 -0.834 1.00 0.00 H new ATOM 0 HD22 ASN A 209 51.599 23.521 -0.514 1.00 0.00 H new ATOM 1050 N SER A 210 49.981 20.151 2.288 1.00 0.00 N ATOM 1051 CA SER A 210 48.883 19.217 2.595 1.00 0.00 C ATOM 1052 C SER A 210 48.640 18.150 1.514 1.00 0.00 C ATOM 1053 O SER A 210 48.691 16.952 1.802 1.00 0.00 O ATOM 1054 CB SER A 210 47.602 20.018 2.868 1.00 0.00 C ATOM 1055 OG SER A 210 47.314 20.947 1.829 1.00 0.00 O ATOM 0 H SER A 210 49.714 21.122 2.452 1.00 0.00 H new ATOM 0 HA SER A 210 49.182 18.658 3.482 1.00 0.00 H new ATOM 0 HB2 SER A 210 46.763 19.331 2.981 1.00 0.00 H new ATOM 0 HB3 SER A 210 47.705 20.553 3.812 1.00 0.00 H new ATOM 0 HG SER A 210 46.490 21.433 2.044 1.00 0.00 H new ATOM 1061 N ASP A 211 48.449 18.560 0.257 1.00 0.00 N ATOM 1062 CA ASP A 211 48.214 17.650 -0.872 1.00 0.00 C ATOM 1063 C ASP A 211 49.373 16.657 -1.107 1.00 0.00 C ATOM 1064 O ASP A 211 49.145 15.544 -1.582 1.00 0.00 O ATOM 1065 CB ASP A 211 47.949 18.493 -2.128 1.00 0.00 C ATOM 1066 CG ASP A 211 47.670 17.617 -3.356 1.00 0.00 C ATOM 1067 OD1 ASP A 211 46.548 17.070 -3.474 1.00 0.00 O ATOM 1068 OD2 ASP A 211 48.571 17.482 -4.218 1.00 0.00 O ATOM 0 H ASP A 211 48.453 19.544 -0.010 1.00 0.00 H new ATOM 0 HA ASP A 211 47.347 17.033 -0.635 1.00 0.00 H new ATOM 0 HB2 ASP A 211 47.098 19.151 -1.951 1.00 0.00 H new ATOM 0 HB3 ASP A 211 48.810 19.131 -2.325 1.00 0.00 H new ATOM 1073 N ASP A 212 50.606 17.040 -0.750 1.00 0.00 N ATOM 1074 CA ASP A 212 51.785 16.169 -0.772 1.00 0.00 C ATOM 1075 C ASP A 212 51.772 15.123 0.362 1.00 0.00 C ATOM 1076 O ASP A 212 52.199 13.986 0.157 1.00 0.00 O ATOM 1077 CB ASP A 212 53.061 17.031 -0.739 1.00 0.00 C ATOM 1078 CG ASP A 212 54.258 16.324 -1.395 1.00 0.00 C ATOM 1079 OD1 ASP A 212 54.200 16.093 -2.628 1.00 0.00 O ATOM 1080 OD2 ASP A 212 55.268 16.065 -0.697 1.00 0.00 O ATOM 0 H ASP A 212 50.815 17.986 -0.431 1.00 0.00 H new ATOM 0 HA ASP A 212 51.766 15.597 -1.700 1.00 0.00 H new ATOM 0 HB2 ASP A 212 52.873 17.974 -1.252 1.00 0.00 H new ATOM 0 HB3 ASP A 212 53.307 17.273 0.295 1.00 0.00 H new ATOM 1085 N VAL A 213 51.254 15.492 1.541 1.00 0.00 N ATOM 1086 CA VAL A 213 51.139 14.593 2.714 1.00 0.00 C ATOM 1087 C VAL A 213 50.094 13.500 2.505 1.00 0.00 C ATOM 1088 O VAL A 213 50.289 12.344 2.882 1.00 0.00 O ATOM 1089 CB VAL A 213 50.901 15.315 4.071 1.00 0.00 C ATOM 1090 CG1 VAL A 213 51.390 16.764 4.073 1.00 0.00 C ATOM 1091 CG2 VAL A 213 49.486 15.277 4.686 1.00 0.00 C ATOM 0 H VAL A 213 50.897 16.431 1.717 1.00 0.00 H new ATOM 0 HA VAL A 213 52.125 14.133 2.786 1.00 0.00 H new ATOM 0 HB VAL A 213 51.510 14.686 4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 213 51.195 17.212 5.047 1.00 0.00 H new ATOM 0 HG12 VAL A 213 52.461 16.787 3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 213 50.863 17.327 3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 213 49.484 15.824 5.629 1.00 0.00 H new ATOM 0 HG22 VAL A 213 48.778 15.738 3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 213 49.195 14.242 4.867 1.00 0.00 H new ATOM 1101 N ASP A 214 48.968 13.873 1.898 1.00 0.00 N ATOM 1102 CA ASP A 214 47.843 12.965 1.697 1.00 0.00 C ATOM 1103 C ASP A 214 48.182 11.862 0.687 1.00 0.00 C ATOM 1104 O ASP A 214 48.015 10.684 1.001 1.00 0.00 O ATOM 1105 CB ASP A 214 46.591 13.752 1.297 1.00 0.00 C ATOM 1106 CG ASP A 214 45.346 12.873 1.466 1.00 0.00 C ATOM 1107 OD1 ASP A 214 44.900 12.706 2.627 1.00 0.00 O ATOM 1108 OD2 ASP A 214 44.841 12.342 0.448 1.00 0.00 O ATOM 0 H ASP A 214 48.812 14.812 1.533 1.00 0.00 H new ATOM 0 HA ASP A 214 47.632 12.462 2.641 1.00 0.00 H new ATOM 0 HB2 ASP A 214 46.501 14.647 1.913 1.00 0.00 H new ATOM 0 HB3 ASP A 214 46.675 14.084 0.262 1.00 0.00 H new ATOM 1113 N ARG A 215 48.763 12.216 -0.471 1.00 0.00 N ATOM 1114 CA ARG A 215 49.212 11.240 -1.480 1.00 0.00 C ATOM 1115 C ARG A 215 50.380 10.355 -1.009 1.00 0.00 C ATOM 1116 O ARG A 215 50.586 9.277 -1.568 1.00 0.00 O ATOM 1117 CB ARG A 215 49.508 11.938 -2.821 1.00 0.00 C ATOM 1118 CG ARG A 215 50.769 12.822 -2.802 1.00 0.00 C ATOM 1119 CD ARG A 215 51.033 13.542 -4.132 1.00 0.00 C ATOM 1120 NE ARG A 215 49.916 14.428 -4.517 1.00 0.00 N ATOM 1121 CZ ARG A 215 49.066 14.272 -5.526 1.00 0.00 C ATOM 1122 NH1 ARG A 215 49.108 13.241 -6.347 1.00 0.00 N ATOM 1123 NH2 ARG A 215 48.137 15.177 -5.718 1.00 0.00 N ATOM 0 H ARG A 215 48.935 13.186 -0.735 1.00 0.00 H new ATOM 0 HA ARG A 215 48.384 10.548 -1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 215 49.620 11.180 -3.596 1.00 0.00 H new ATOM 0 HB3 ARG A 215 48.650 12.552 -3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 215 50.671 13.564 -2.010 1.00 0.00 H new ATOM 0 HG3 ARG A 215 51.632 12.204 -2.555 1.00 0.00 H new ATOM 0 HD2 ARG A 215 51.948 14.128 -4.051 1.00 0.00 H new ATOM 0 HD3 ARG A 215 51.196 12.804 -4.917 1.00 0.00 H new ATOM 0 HE ARG A 215 49.781 15.258 -3.940 1.00 0.00 H new ATOM 0 HH11 ARG A 215 49.816 12.518 -6.222 1.00 0.00 H new ATOM 0 HH12 ARG A 215 48.432 13.167 -7.107 1.00 0.00 H new ATOM 0 HH21 ARG A 215 48.076 15.984 -5.098 1.00 0.00 H new ATOM 0 HH22 ARG A 215 47.476 15.074 -6.488 1.00 0.00 H new ATOM 1137 N ALA A 216 51.108 10.758 0.040 1.00 0.00 N ATOM 1138 CA ALA A 216 52.060 9.898 0.747 1.00 0.00 C ATOM 1139 C ALA A 216 51.318 8.826 1.553 1.00 0.00 C ATOM 1140 O ALA A 216 51.407 7.637 1.264 1.00 0.00 O ATOM 1141 CB ALA A 216 52.967 10.773 1.636 1.00 0.00 C ATOM 0 H ALA A 216 51.051 11.701 0.424 1.00 0.00 H new ATOM 0 HA ALA A 216 52.691 9.372 0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 216 53.678 10.139 2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 216 53.509 11.485 1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 216 52.356 11.314 2.358 1.00 0.00 H new ATOM 1147 N ILE A 217 50.520 9.253 2.531 1.00 0.00 N ATOM 1148 CA ILE A 217 49.833 8.369 3.495 1.00 0.00 C ATOM 1149 C ILE A 217 48.866 7.393 2.816 1.00 0.00 C ATOM 1150 O ILE A 217 48.801 6.231 3.217 1.00 0.00 O ATOM 1151 CB ILE A 217 49.166 9.257 4.562 1.00 0.00 C ATOM 1152 CG1 ILE A 217 50.297 9.815 5.457 1.00 0.00 C ATOM 1153 CG2 ILE A 217 48.107 8.491 5.375 1.00 0.00 C ATOM 1154 CD1 ILE A 217 49.810 10.990 6.298 1.00 0.00 C ATOM 0 H ILE A 217 50.324 10.242 2.685 1.00 0.00 H new ATOM 0 HA ILE A 217 50.558 7.718 3.983 1.00 0.00 H new ATOM 0 HB ILE A 217 48.621 10.073 4.088 1.00 0.00 H new ATOM 0 HG12 ILE A 217 50.669 9.026 6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 217 51.133 10.133 4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 217 47.664 9.158 6.115 1.00 0.00 H new ATOM 0 HG22 ILE A 217 47.329 8.124 4.705 1.00 0.00 H new ATOM 0 HG23 ILE A 217 48.577 7.648 5.882 1.00 0.00 H new ATOM 0 HD11 ILE A 217 50.629 11.359 6.916 1.00 0.00 H new ATOM 0 HD12 ILE A 217 49.462 11.788 5.642 1.00 0.00 H new ATOM 0 HD13 ILE A 217 48.991 10.664 6.939 1.00 0.00 H new ATOM 1166 N ARG A 218 48.228 7.822 1.723 1.00 0.00 N ATOM 1167 CA ARG A 218 47.412 6.994 0.815 1.00 0.00 C ATOM 1168 C ARG A 218 48.131 5.723 0.305 1.00 0.00 C ATOM 1169 O ARG A 218 47.474 4.775 -0.126 1.00 0.00 O ATOM 1170 CB ARG A 218 46.971 7.895 -0.356 1.00 0.00 C ATOM 1171 CG ARG A 218 45.789 7.370 -1.186 1.00 0.00 C ATOM 1172 CD ARG A 218 45.492 8.278 -2.392 1.00 0.00 C ATOM 1173 NE ARG A 218 45.211 9.676 -2.001 1.00 0.00 N ATOM 1174 CZ ARG A 218 45.155 10.725 -2.816 1.00 0.00 C ATOM 1175 NH1 ARG A 218 45.306 10.606 -4.120 1.00 0.00 N ATOM 1176 NH2 ARG A 218 44.948 11.921 -2.318 1.00 0.00 N ATOM 0 H ARG A 218 48.265 8.798 1.430 1.00 0.00 H new ATOM 0 HA ARG A 218 46.554 6.614 1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 218 46.706 8.875 0.042 1.00 0.00 H new ATOM 0 HB3 ARG A 218 47.823 8.040 -1.020 1.00 0.00 H new ATOM 0 HG2 ARG A 218 46.009 6.361 -1.536 1.00 0.00 H new ATOM 0 HG3 ARG A 218 44.903 7.302 -0.555 1.00 0.00 H new ATOM 0 HD2 ARG A 218 46.343 8.260 -3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 218 44.638 7.880 -2.939 1.00 0.00 H new ATOM 0 HE ARG A 218 45.044 9.853 -1.010 1.00 0.00 H new ATOM 0 HH11 ARG A 218 45.472 9.688 -4.533 1.00 0.00 H new ATOM 0 HH12 ARG A 218 45.257 11.432 -4.717 1.00 0.00 H new ATOM 0 HH21 ARG A 218 44.831 12.041 -1.312 1.00 0.00 H new ATOM 0 HH22 ARG A 218 44.904 12.731 -2.937 1.00 0.00 H new ATOM 1190 N GLN A 219 49.467 5.686 0.367 1.00 0.00 N ATOM 1191 CA GLN A 219 50.315 4.564 -0.047 1.00 0.00 C ATOM 1192 C GLN A 219 51.069 3.914 1.136 1.00 0.00 C ATOM 1193 O GLN A 219 51.704 2.876 0.940 1.00 0.00 O ATOM 1194 CB GLN A 219 51.321 5.070 -1.099 1.00 0.00 C ATOM 1195 CG GLN A 219 50.652 5.656 -2.355 1.00 0.00 C ATOM 1196 CD GLN A 219 51.689 6.169 -3.353 1.00 0.00 C ATOM 1197 OE1 GLN A 219 52.271 5.421 -4.129 1.00 0.00 O ATOM 1198 NE2 GLN A 219 51.961 7.460 -3.375 1.00 0.00 N ATOM 0 H GLN A 219 50.010 6.473 0.723 1.00 0.00 H new ATOM 0 HA GLN A 219 49.670 3.791 -0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 219 51.956 5.831 -0.646 1.00 0.00 H new ATOM 0 HB3 GLN A 219 51.971 4.247 -1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 219 50.035 4.893 -2.830 1.00 0.00 H new ATOM 0 HG3 GLN A 219 49.987 6.471 -2.068 1.00 0.00 H new ATOM 0 HE21 GLN A 219 51.483 8.093 -2.734 1.00 0.00 H new ATOM 0 HE22 GLN A 219 52.649 7.825 -4.033 1.00 0.00 H new ATOM 1207 N TYR A 220 51.005 4.484 2.351 1.00 0.00 N ATOM 1208 CA TYR A 220 51.890 4.128 3.476 1.00 0.00 C ATOM 1209 C TYR A 220 51.192 3.750 4.798 1.00 0.00 C ATOM 1210 O TYR A 220 51.798 3.040 5.600 1.00 0.00 O ATOM 1211 CB TYR A 220 52.863 5.285 3.752 1.00 0.00 C ATOM 1212 CG TYR A 220 53.822 5.698 2.645 1.00 0.00 C ATOM 1213 CD1 TYR A 220 54.389 4.756 1.762 1.00 0.00 C ATOM 1214 CD2 TYR A 220 54.206 7.050 2.552 1.00 0.00 C ATOM 1215 CE1 TYR A 220 55.315 5.165 0.786 1.00 0.00 C ATOM 1216 CE2 TYR A 220 55.137 7.469 1.586 1.00 0.00 C ATOM 1217 CZ TYR A 220 55.701 6.520 0.700 1.00 0.00 C ATOM 1218 OH TYR A 220 56.623 6.893 -0.231 1.00 0.00 O ATOM 0 H TYR A 220 50.330 5.213 2.583 1.00 0.00 H new ATOM 0 HA TYR A 220 52.397 3.222 3.144 1.00 0.00 H new ATOM 0 HB2 TYR A 220 52.272 6.160 4.024 1.00 0.00 H new ATOM 0 HB3 TYR A 220 53.458 5.018 4.626 1.00 0.00 H new ATOM 0 HD1 TYR A 220 54.111 3.715 1.836 1.00 0.00 H new ATOM 0 HD2 TYR A 220 53.780 7.773 3.231 1.00 0.00 H new ATOM 0 HE1 TYR A 220 55.732 4.441 0.101 1.00 0.00 H new ATOM 0 HE2 TYR A 220 55.420 8.509 1.520 1.00 0.00 H new ATOM 0 HH TYR A 220 57.436 7.202 0.220 1.00 0.00 H new ATOM 1228 N ASP A 221 49.945 4.164 5.061 1.00 0.00 N ATOM 1229 CA ASP A 221 49.224 3.694 6.255 1.00 0.00 C ATOM 1230 C ASP A 221 48.977 2.176 6.147 1.00 0.00 C ATOM 1231 O ASP A 221 48.378 1.704 5.176 1.00 0.00 O ATOM 1232 CB ASP A 221 47.920 4.480 6.446 1.00 0.00 C ATOM 1233 CG ASP A 221 47.257 4.160 7.796 1.00 0.00 C ATOM 1234 OD1 ASP A 221 47.643 4.789 8.811 1.00 0.00 O ATOM 1235 OD2 ASP A 221 46.354 3.290 7.831 1.00 0.00 O ATOM 0 H ASP A 221 49.420 4.813 4.475 1.00 0.00 H new ATOM 0 HA ASP A 221 49.833 3.873 7.141 1.00 0.00 H new ATOM 0 HB2 ASP A 221 48.127 5.549 6.386 1.00 0.00 H new ATOM 0 HB3 ASP A 221 47.230 4.243 5.636 1.00 0.00 H new ATOM 1240 N GLY A 222 49.494 1.408 7.117 1.00 0.00 N ATOM 1241 CA GLY A 222 49.564 -0.058 7.047 1.00 0.00 C ATOM 1242 C GLY A 222 50.911 -0.624 6.605 1.00 0.00 C ATOM 1243 O GLY A 222 51.037 -1.847 6.545 1.00 0.00 O ATOM 0 H GLY A 222 49.879 1.791 7.980 1.00 0.00 H new ATOM 0 HA2 GLY A 222 49.322 -0.465 8.029 1.00 0.00 H new ATOM 0 HA3 GLY A 222 48.796 -0.410 6.358 1.00 0.00 H new ATOM 1247 N ALA A 223 51.920 0.209 6.321 1.00 0.00 N ATOM 1248 CA ALA A 223 53.286 -0.262 6.099 1.00 0.00 C ATOM 1249 C ALA A 223 53.838 -0.916 7.379 1.00 0.00 C ATOM 1250 O ALA A 223 54.154 -0.242 8.361 1.00 0.00 O ATOM 1251 CB ALA A 223 54.181 0.890 5.607 1.00 0.00 C ATOM 0 H ALA A 223 51.811 1.220 6.240 1.00 0.00 H new ATOM 0 HA ALA A 223 53.280 -1.022 5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 223 55.194 0.521 5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 223 53.786 1.283 4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 223 54.198 1.683 6.355 1.00 0.00 H new ATOM 1257 N PHE A 224 53.973 -2.241 7.361 1.00 0.00 N ATOM 1258 CA PHE A 224 54.938 -2.945 8.211 1.00 0.00 C ATOM 1259 C PHE A 224 56.352 -2.402 7.952 1.00 0.00 C ATOM 1260 O PHE A 224 56.816 -2.342 6.810 1.00 0.00 O ATOM 1261 CB PHE A 224 54.840 -4.460 8.000 1.00 0.00 C ATOM 1262 CG PHE A 224 53.664 -5.079 8.729 1.00 0.00 C ATOM 1263 CD1 PHE A 224 53.812 -5.486 10.071 1.00 0.00 C ATOM 1264 CD2 PHE A 224 52.420 -5.229 8.088 1.00 0.00 C ATOM 1265 CE1 PHE A 224 52.724 -6.049 10.762 1.00 0.00 C ATOM 1266 CE2 PHE A 224 51.338 -5.806 8.775 1.00 0.00 C ATOM 1267 CZ PHE A 224 51.489 -6.215 10.113 1.00 0.00 C ATOM 0 H PHE A 224 53.422 -2.855 6.762 1.00 0.00 H new ATOM 0 HA PHE A 224 54.704 -2.762 9.260 1.00 0.00 H new ATOM 0 HB2 PHE A 224 54.752 -4.669 6.934 1.00 0.00 H new ATOM 0 HB3 PHE A 224 55.762 -4.930 8.342 1.00 0.00 H new ATOM 0 HD1 PHE A 224 54.763 -5.365 10.569 1.00 0.00 H new ATOM 0 HD2 PHE A 224 52.297 -4.900 7.067 1.00 0.00 H new ATOM 0 HE1 PHE A 224 52.838 -6.354 11.792 1.00 0.00 H new ATOM 0 HE2 PHE A 224 50.389 -5.936 8.275 1.00 0.00 H new ATOM 0 HZ PHE A 224 50.656 -6.656 10.641 1.00 0.00 H new ATOM 1277 N PHE A 225 57.007 -1.966 9.031 1.00 0.00 N ATOM 1278 CA PHE A 225 58.139 -1.043 9.016 1.00 0.00 C ATOM 1279 C PHE A 225 59.038 -1.373 10.214 1.00 0.00 C ATOM 1280 O PHE A 225 58.619 -1.218 11.362 1.00 0.00 O ATOM 1281 CB PHE A 225 57.554 0.370 9.104 1.00 0.00 C ATOM 1282 CG PHE A 225 58.518 1.500 8.826 1.00 0.00 C ATOM 1283 CD1 PHE A 225 59.360 2.005 9.837 1.00 0.00 C ATOM 1284 CD2 PHE A 225 58.534 2.079 7.545 1.00 0.00 C ATOM 1285 CE1 PHE A 225 60.230 3.074 9.556 1.00 0.00 C ATOM 1286 CE2 PHE A 225 59.394 3.151 7.269 1.00 0.00 C ATOM 1287 CZ PHE A 225 60.248 3.646 8.269 1.00 0.00 C ATOM 0 H PHE A 225 56.752 -2.259 9.974 1.00 0.00 H new ATOM 0 HA PHE A 225 58.746 -1.123 8.114 1.00 0.00 H new ATOM 0 HB2 PHE A 225 56.725 0.444 8.400 1.00 0.00 H new ATOM 0 HB3 PHE A 225 57.139 0.509 10.102 1.00 0.00 H new ATOM 0 HD1 PHE A 225 59.337 1.572 10.826 1.00 0.00 H new ATOM 0 HD2 PHE A 225 57.883 1.697 6.773 1.00 0.00 H new ATOM 0 HE1 PHE A 225 60.884 3.456 10.326 1.00 0.00 H new ATOM 0 HE2 PHE A 225 59.400 3.597 6.286 1.00 0.00 H new ATOM 0 HZ PHE A 225 60.918 4.465 8.051 1.00 0.00 H new ATOM 1297 N MET A 226 60.238 -1.909 9.964 1.00 0.00 N ATOM 1298 CA MET A 226 61.113 -2.483 11.010 1.00 0.00 C ATOM 1299 C MET A 226 60.399 -3.596 11.827 1.00 0.00 C ATOM 1300 O MET A 226 60.633 -3.748 13.025 1.00 0.00 O ATOM 1301 CB MET A 226 61.709 -1.367 11.896 1.00 0.00 C ATOM 1302 CG MET A 226 62.479 -0.295 11.112 1.00 0.00 C ATOM 1303 SD MET A 226 63.960 -0.882 10.248 1.00 0.00 S ATOM 1304 CE MET A 226 64.488 0.691 9.526 1.00 0.00 C ATOM 0 H MET A 226 60.638 -1.960 9.027 1.00 0.00 H new ATOM 0 HA MET A 226 61.949 -2.979 10.517 1.00 0.00 H new ATOM 0 HB2 MET A 226 60.903 -0.888 12.451 1.00 0.00 H new ATOM 0 HB3 MET A 226 62.378 -1.817 12.630 1.00 0.00 H new ATOM 0 HG2 MET A 226 61.805 0.151 10.381 1.00 0.00 H new ATOM 0 HG3 MET A 226 62.771 0.497 11.802 1.00 0.00 H new ATOM 0 HE1 MET A 226 65.398 0.538 8.947 1.00 0.00 H new ATOM 0 HE2 MET A 226 63.703 1.074 8.874 1.00 0.00 H new ATOM 0 HE3 MET A 226 64.681 1.410 10.322 1.00 0.00 H new ATOM 1314 N ASP A 227 59.502 -4.348 11.163 1.00 0.00 N ATOM 1315 CA ASP A 227 58.762 -5.542 11.631 1.00 0.00 C ATOM 1316 C ASP A 227 57.424 -5.268 12.361 1.00 0.00 C ATOM 1317 O ASP A 227 56.744 -6.227 12.738 1.00 0.00 O ATOM 1318 CB ASP A 227 59.650 -6.551 12.394 1.00 0.00 C ATOM 1319 CG ASP A 227 60.884 -6.994 11.589 1.00 0.00 C ATOM 1320 OD1 ASP A 227 60.706 -7.608 10.509 1.00 0.00 O ATOM 1321 OD2 ASP A 227 62.029 -6.763 12.049 1.00 0.00 O ATOM 0 H ASP A 227 59.252 -4.118 10.201 1.00 0.00 H new ATOM 0 HA ASP A 227 58.460 -6.017 10.698 1.00 0.00 H new ATOM 0 HB2 ASP A 227 59.977 -6.102 13.332 1.00 0.00 H new ATOM 0 HB3 ASP A 227 59.056 -7.428 12.650 1.00 0.00 H new ATOM 1326 N ARG A 228 57.001 -4.005 12.527 1.00 0.00 N ATOM 1327 CA ARG A 228 55.684 -3.629 13.091 1.00 0.00 C ATOM 1328 C ARG A 228 55.018 -2.495 12.295 1.00 0.00 C ATOM 1329 O ARG A 228 55.677 -1.714 11.617 1.00 0.00 O ATOM 1330 CB ARG A 228 55.816 -3.270 14.591 1.00 0.00 C ATOM 1331 CG ARG A 228 54.635 -3.743 15.462 1.00 0.00 C ATOM 1332 CD ARG A 228 54.803 -5.163 16.024 1.00 0.00 C ATOM 1333 NE ARG A 228 54.942 -6.173 14.960 1.00 0.00 N ATOM 1334 CZ ARG A 228 54.095 -7.133 14.610 1.00 0.00 C ATOM 1335 NH1 ARG A 228 52.946 -7.331 15.223 1.00 0.00 N ATOM 1336 NH2 ARG A 228 54.417 -7.912 13.602 1.00 0.00 N ATOM 0 H ARG A 228 57.570 -3.199 12.270 1.00 0.00 H new ATOM 0 HA ARG A 228 55.029 -4.496 13.006 1.00 0.00 H new ATOM 0 HB2 ARG A 228 56.736 -3.708 14.978 1.00 0.00 H new ATOM 0 HB3 ARG A 228 55.913 -2.189 14.687 1.00 0.00 H new ATOM 0 HG2 ARG A 228 54.507 -3.048 16.292 1.00 0.00 H new ATOM 0 HG3 ARG A 228 53.721 -3.704 14.869 1.00 0.00 H new ATOM 0 HD2 ARG A 228 55.681 -5.195 16.669 1.00 0.00 H new ATOM 0 HD3 ARG A 228 53.942 -5.409 16.646 1.00 0.00 H new ATOM 0 HE ARG A 228 55.806 -6.128 14.419 1.00 0.00 H new ATOM 0 HH11 ARG A 228 52.674 -6.733 16.003 1.00 0.00 H new ATOM 0 HH12 ARG A 228 52.328 -8.083 14.917 1.00 0.00 H new ATOM 0 HH21 ARG A 228 55.299 -7.771 13.110 1.00 0.00 H new ATOM 0 HH22 ARG A 228 53.785 -8.658 13.312 1.00 0.00 H new ATOM 1350 N LYS A 229 53.686 -2.432 12.308 1.00 0.00 N ATOM 1351 CA LYS A 229 52.893 -1.593 11.401 1.00 0.00 C ATOM 1352 C LYS A 229 52.867 -0.098 11.786 1.00 0.00 C ATOM 1353 O LYS A 229 52.555 0.251 12.927 1.00 0.00 O ATOM 1354 CB LYS A 229 51.496 -2.233 11.358 1.00 0.00 C ATOM 1355 CG LYS A 229 50.717 -1.830 10.105 1.00 0.00 C ATOM 1356 CD LYS A 229 49.520 -2.760 9.868 1.00 0.00 C ATOM 1357 CE LYS A 229 48.403 -2.562 10.902 1.00 0.00 C ATOM 1358 NZ LYS A 229 47.222 -3.421 10.608 1.00 0.00 N ATOM 0 H LYS A 229 53.116 -2.971 12.960 1.00 0.00 H new ATOM 0 HA LYS A 229 53.348 -1.570 10.411 1.00 0.00 H new ATOM 0 HB2 LYS A 229 51.594 -3.318 11.390 1.00 0.00 H new ATOM 0 HB3 LYS A 229 50.935 -1.937 12.244 1.00 0.00 H new ATOM 0 HG2 LYS A 229 50.367 -0.803 10.207 1.00 0.00 H new ATOM 0 HG3 LYS A 229 51.378 -1.857 9.239 1.00 0.00 H new ATOM 0 HD2 LYS A 229 49.120 -2.584 8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 229 49.858 -3.796 9.898 1.00 0.00 H new ATOM 0 HE2 LYS A 229 48.783 -2.794 11.897 1.00 0.00 H new ATOM 0 HE3 LYS A 229 48.098 -1.516 10.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 46.488 -3.260 11.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 46.844 -3.183 9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 47.508 -4.421 10.623 1.00 0.00 H new ATOM 1372 N ILE A 230 53.164 0.808 10.844 1.00 0.00 N ATOM 1373 CA ILE A 230 52.863 2.248 10.975 1.00 0.00 C ATOM 1374 C ILE A 230 51.361 2.507 10.754 1.00 0.00 C ATOM 1375 O ILE A 230 50.761 2.027 9.790 1.00 0.00 O ATOM 1376 CB ILE A 230 53.772 3.161 10.093 1.00 0.00 C ATOM 1377 CG1 ILE A 230 53.259 3.387 8.652 1.00 0.00 C ATOM 1378 CG2 ILE A 230 55.226 2.661 10.061 1.00 0.00 C ATOM 1379 CD1 ILE A 230 54.220 4.197 7.770 1.00 0.00 C ATOM 0 H ILE A 230 53.621 0.566 9.965 1.00 0.00 H new ATOM 0 HA ILE A 230 53.106 2.533 11.999 1.00 0.00 H new ATOM 0 HB ILE A 230 53.732 4.132 10.586 1.00 0.00 H new ATOM 0 HG12 ILE A 230 53.081 2.419 8.184 1.00 0.00 H new ATOM 0 HG13 ILE A 230 52.299 3.902 8.695 1.00 0.00 H new ATOM 0 HG21 ILE A 230 55.825 3.324 9.437 1.00 0.00 H new ATOM 0 HG22 ILE A 230 55.630 2.652 11.073 1.00 0.00 H new ATOM 0 HG23 ILE A 230 55.255 1.652 9.650 1.00 0.00 H new ATOM 0 HD11 ILE A 230 53.790 4.313 6.775 1.00 0.00 H new ATOM 0 HD12 ILE A 230 54.380 5.180 8.213 1.00 0.00 H new ATOM 0 HD13 ILE A 230 55.173 3.674 7.695 1.00 0.00 H new ATOM 1391 N PHE A 231 50.786 3.306 11.651 1.00 0.00 N ATOM 1392 CA PHE A 231 49.466 3.923 11.520 1.00 0.00 C ATOM 1393 C PHE A 231 49.696 5.436 11.530 1.00 0.00 C ATOM 1394 O PHE A 231 50.581 5.887 12.253 1.00 0.00 O ATOM 1395 CB PHE A 231 48.574 3.532 12.710 1.00 0.00 C ATOM 1396 CG PHE A 231 48.372 2.046 12.950 1.00 0.00 C ATOM 1397 CD1 PHE A 231 49.325 1.314 13.686 1.00 0.00 C ATOM 1398 CD2 PHE A 231 47.195 1.408 12.508 1.00 0.00 C ATOM 1399 CE1 PHE A 231 49.100 -0.041 13.989 1.00 0.00 C ATOM 1400 CE2 PHE A 231 46.966 0.056 12.821 1.00 0.00 C ATOM 1401 CZ PHE A 231 47.913 -0.666 13.570 1.00 0.00 C ATOM 0 H PHE A 231 51.247 3.552 12.527 1.00 0.00 H new ATOM 0 HA PHE A 231 48.970 3.595 10.607 1.00 0.00 H new ATOM 0 HB2 PHE A 231 49.001 3.968 13.613 1.00 0.00 H new ATOM 0 HB3 PHE A 231 47.595 3.990 12.567 1.00 0.00 H new ATOM 0 HD1 PHE A 231 50.232 1.796 14.019 1.00 0.00 H new ATOM 0 HD2 PHE A 231 46.468 1.958 11.928 1.00 0.00 H new ATOM 0 HE1 PHE A 231 49.839 -0.601 14.543 1.00 0.00 H new ATOM 0 HE2 PHE A 231 46.061 -0.429 12.486 1.00 0.00 H new ATOM 0 HZ PHE A 231 47.728 -1.700 13.823 1.00 0.00 H new ATOM 1411 N VAL A 232 48.940 6.231 10.781 1.00 0.00 N ATOM 1412 CA VAL A 232 49.184 7.682 10.701 1.00 0.00 C ATOM 1413 C VAL A 232 47.912 8.478 10.427 1.00 0.00 C ATOM 1414 O VAL A 232 47.073 8.087 9.615 1.00 0.00 O ATOM 1415 CB VAL A 232 50.324 8.023 9.704 1.00 0.00 C ATOM 1416 CG1 VAL A 232 50.174 7.295 8.360 1.00 0.00 C ATOM 1417 CG2 VAL A 232 50.491 9.536 9.440 1.00 0.00 C ATOM 0 H VAL A 232 48.154 5.905 10.219 1.00 0.00 H new ATOM 0 HA VAL A 232 49.525 7.995 11.688 1.00 0.00 H new ATOM 0 HB VAL A 232 51.224 7.668 10.206 1.00 0.00 H new ATOM 0 HG11 VAL A 232 50.998 7.571 7.703 1.00 0.00 H new ATOM 0 HG12 VAL A 232 50.188 6.218 8.526 1.00 0.00 H new ATOM 0 HG13 VAL A 232 49.229 7.579 7.896 1.00 0.00 H new ATOM 0 HG21 VAL A 232 51.306 9.694 8.734 1.00 0.00 H new ATOM 0 HG22 VAL A 232 49.567 9.937 9.023 1.00 0.00 H new ATOM 0 HG23 VAL A 232 50.718 10.046 10.376 1.00 0.00 H new ATOM 1427 N ARG A 233 47.822 9.622 11.110 1.00 0.00 N ATOM 1428 CA ARG A 233 46.810 10.658 10.924 1.00 0.00 C ATOM 1429 C ARG A 233 47.445 11.919 10.334 1.00 0.00 C ATOM 1430 O ARG A 233 48.523 12.348 10.755 1.00 0.00 O ATOM 1431 CB ARG A 233 46.161 10.977 12.280 1.00 0.00 C ATOM 1432 CG ARG A 233 45.291 9.811 12.768 1.00 0.00 C ATOM 1433 CD ARG A 233 44.695 10.115 14.145 1.00 0.00 C ATOM 1434 NE ARG A 233 43.696 9.103 14.516 1.00 0.00 N ATOM 1435 CZ ARG A 233 43.878 7.927 15.097 1.00 0.00 C ATOM 1436 NH1 ARG A 233 45.064 7.475 15.458 1.00 0.00 N ATOM 1437 NH2 ARG A 233 42.817 7.186 15.316 1.00 0.00 N ATOM 0 H ARG A 233 48.488 9.860 11.845 1.00 0.00 H new ATOM 0 HA ARG A 233 46.049 10.300 10.231 1.00 0.00 H new ATOM 0 HB2 ARG A 233 46.936 11.188 13.016 1.00 0.00 H new ATOM 0 HB3 ARG A 233 45.552 11.876 12.192 1.00 0.00 H new ATOM 0 HG2 ARG A 233 44.489 9.626 12.053 1.00 0.00 H new ATOM 0 HG3 ARG A 233 45.890 8.901 12.819 1.00 0.00 H new ATOM 0 HD2 ARG A 233 45.488 10.140 14.892 1.00 0.00 H new ATOM 0 HD3 ARG A 233 44.233 11.102 14.137 1.00 0.00 H new ATOM 0 HE ARG A 233 42.729 9.339 14.295 1.00 0.00 H new ATOM 0 HH11 ARG A 233 45.897 8.040 15.293 1.00 0.00 H new ATOM 0 HH12 ARG A 233 45.148 6.561 15.903 1.00 0.00 H new ATOM 0 HH21 ARG A 233 41.894 7.523 15.041 1.00 0.00 H new ATOM 0 HH22 ARG A 233 42.915 6.274 15.761 1.00 0.00 H new