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 183 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Set 1.2: A 220 TYR OH : rot 100:sc= 0 USER MOD Set 2.1: A 208 THR OG1 : rot 180:sc= 0.077 USER MOD Set 2.2: A 209 ASN : amide:sc= 0.00726 X(o=0.084,f=0.39) USER MOD Single : A 162 SER OG : rot 180:sc= 0 USER MOD Single : A 167 ASN : amide:sc= -0.1 K(o=-0.1,f=-0.75) USER MOD Single : A 169 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 172 SER OG : rot -90:sc= 0.0207 USER MOD Single : A 173 THR OG1 : rot -77:sc= 1.22 USER MOD Single : A 178 THR OG1 : rot 90:sc= 1.25 USER MOD Single : A 182 SER OG : rot 71:sc= 1.85 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=-0.00692 USER MOD Single : A 210 SER OG : rot 180:sc= 0.0187 USER MOD Single : A 219 GLN : amide:sc= 0 X(o=0,f=-0.42) 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 51.551 19.114 8.816 1.00 0.00 N ATOM 314 CA SER A 162 52.173 18.003 9.547 1.00 0.00 C ATOM 315 C SER A 162 51.252 16.776 9.651 1.00 0.00 C ATOM 316 O SER A 162 50.066 16.834 9.324 1.00 0.00 O ATOM 317 CB SER A 162 52.621 18.482 10.944 1.00 0.00 C ATOM 318 OG SER A 162 53.754 19.335 10.875 1.00 0.00 O ATOM 0 HA SER A 162 53.047 17.682 8.980 1.00 0.00 H new ATOM 0 HB2 SER A 162 51.799 19.010 11.427 1.00 0.00 H new ATOM 0 HB3 SER A 162 52.855 17.618 11.566 1.00 0.00 H new ATOM 0 HG SER A 162 54.006 19.618 11.779 1.00 0.00 H new ATOM 324 N ILE A 163 51.819 15.647 10.086 1.00 0.00 N ATOM 325 CA ILE A 163 51.180 14.328 10.181 1.00 0.00 C ATOM 326 C ILE A 163 51.658 13.632 11.462 1.00 0.00 C ATOM 327 O ILE A 163 52.836 13.756 11.820 1.00 0.00 O ATOM 328 CB ILE A 163 51.471 13.474 8.914 1.00 0.00 C ATOM 329 CG1 ILE A 163 52.962 13.097 8.745 1.00 0.00 C ATOM 330 CG2 ILE A 163 51.002 14.205 7.640 1.00 0.00 C ATOM 331 CD1 ILE A 163 53.251 12.012 7.706 1.00 0.00 C ATOM 0 H ILE A 163 52.790 15.626 10.399 1.00 0.00 H new ATOM 0 HA ILE A 163 50.098 14.449 10.232 1.00 0.00 H new ATOM 0 HB ILE A 163 50.911 12.550 9.057 1.00 0.00 H new ATOM 0 HG12 ILE A 163 53.517 13.994 8.472 1.00 0.00 H new ATOM 0 HG13 ILE A 163 53.347 12.765 9.709 1.00 0.00 H new ATOM 0 HG21 ILE A 163 51.216 13.588 6.767 1.00 0.00 H new ATOM 0 HG22 ILE A 163 49.929 14.389 7.700 1.00 0.00 H new ATOM 0 HG23 ILE A 163 51.529 15.155 7.551 1.00 0.00 H new ATOM 0 HD11 ILE A 163 54.324 11.823 7.666 1.00 0.00 H new ATOM 0 HD12 ILE A 163 52.731 11.095 7.983 1.00 0.00 H new ATOM 0 HD13 ILE A 163 52.904 12.344 6.727 1.00 0.00 H new ATOM 343 N PHE A 164 50.764 12.905 12.136 1.00 0.00 N ATOM 344 CA PHE A 164 51.033 12.240 13.414 1.00 0.00 C ATOM 345 C PHE A 164 51.076 10.715 13.238 1.00 0.00 C ATOM 346 O PHE A 164 50.148 10.132 12.682 1.00 0.00 O ATOM 347 CB PHE A 164 49.966 12.657 14.436 1.00 0.00 C ATOM 348 CG PHE A 164 50.255 12.117 15.823 1.00 0.00 C ATOM 349 CD1 PHE A 164 49.762 10.857 16.220 1.00 0.00 C ATOM 350 CD2 PHE A 164 51.077 12.854 16.697 1.00 0.00 C ATOM 351 CE1 PHE A 164 50.094 10.340 17.486 1.00 0.00 C ATOM 352 CE2 PHE A 164 51.409 12.334 17.960 1.00 0.00 C ATOM 353 CZ PHE A 164 50.918 11.076 18.353 1.00 0.00 C ATOM 0 H PHE A 164 49.812 12.759 11.801 1.00 0.00 H new ATOM 0 HA PHE A 164 52.011 12.548 13.783 1.00 0.00 H new ATOM 0 HB2 PHE A 164 49.910 13.745 14.476 1.00 0.00 H new ATOM 0 HB3 PHE A 164 48.991 12.300 14.106 1.00 0.00 H new ATOM 0 HD1 PHE A 164 49.130 10.289 15.553 1.00 0.00 H new ATOM 0 HD2 PHE A 164 51.453 13.821 16.396 1.00 0.00 H new ATOM 0 HE1 PHE A 164 49.715 9.376 17.791 1.00 0.00 H new ATOM 0 HE2 PHE A 164 52.041 12.900 18.628 1.00 0.00 H new ATOM 0 HZ PHE A 164 51.175 10.676 19.323 1.00 0.00 H new ATOM 363 N VAL A 165 52.145 10.079 13.727 1.00 0.00 N ATOM 364 CA VAL A 165 52.492 8.666 13.491 1.00 0.00 C ATOM 365 C VAL A 165 52.363 7.919 14.826 1.00 0.00 C ATOM 366 O VAL A 165 53.172 8.117 15.730 1.00 0.00 O ATOM 367 CB VAL A 165 53.923 8.537 12.901 1.00 0.00 C ATOM 368 CG1 VAL A 165 54.206 7.109 12.420 1.00 0.00 C ATOM 369 CG2 VAL A 165 54.195 9.493 11.725 1.00 0.00 C ATOM 0 H VAL A 165 52.824 10.551 14.324 1.00 0.00 H new ATOM 0 HA VAL A 165 51.814 8.228 12.759 1.00 0.00 H new ATOM 0 HB VAL A 165 54.584 8.806 13.725 1.00 0.00 H new ATOM 0 HG11 VAL A 165 55.216 7.055 12.013 1.00 0.00 H new ATOM 0 HG12 VAL A 165 54.115 6.418 13.258 1.00 0.00 H new ATOM 0 HG13 VAL A 165 53.488 6.837 11.646 1.00 0.00 H new ATOM 0 HG21 VAL A 165 55.213 9.346 11.365 1.00 0.00 H new ATOM 0 HG22 VAL A 165 53.492 9.287 10.918 1.00 0.00 H new ATOM 0 HG23 VAL A 165 54.073 10.524 12.058 1.00 0.00 H new ATOM 379 N GLY A 166 51.308 7.112 14.978 1.00 0.00 N ATOM 380 CA GLY A 166 50.787 6.701 16.294 1.00 0.00 C ATOM 381 C GLY A 166 51.193 5.314 16.803 1.00 0.00 C ATOM 382 O GLY A 166 50.949 5.022 17.973 1.00 0.00 O ATOM 0 H GLY A 166 50.787 6.722 14.192 1.00 0.00 H new ATOM 0 HA2 GLY A 166 51.107 7.439 17.030 1.00 0.00 H new ATOM 0 HA3 GLY A 166 49.698 6.742 16.255 1.00 0.00 H new ATOM 386 N ASN A 167 51.788 4.455 15.964 1.00 0.00 N ATOM 387 CA ASN A 167 52.046 3.040 16.313 1.00 0.00 C ATOM 388 C ASN A 167 53.188 2.399 15.488 1.00 0.00 C ATOM 389 O ASN A 167 53.097 1.256 15.039 1.00 0.00 O ATOM 390 CB ASN A 167 50.717 2.256 16.232 1.00 0.00 C ATOM 391 CG ASN A 167 50.784 0.857 16.857 1.00 0.00 C ATOM 392 OD1 ASN A 167 51.605 0.564 17.718 1.00 0.00 O ATOM 393 ND2 ASN A 167 49.903 -0.045 16.453 1.00 0.00 N ATOM 0 H ASN A 167 52.104 4.713 15.029 1.00 0.00 H new ATOM 0 HA ASN A 167 52.416 2.997 17.337 1.00 0.00 H new ATOM 0 HB2 ASN A 167 49.937 2.830 16.732 1.00 0.00 H new ATOM 0 HB3 ASN A 167 50.424 2.163 15.186 1.00 0.00 H new ATOM 0 HD21 ASN A 167 49.909 -0.981 16.858 1.00 0.00 H new ATOM 0 HD22 ASN A 167 49.218 0.196 15.736 1.00 0.00 H new ATOM 400 N LEU A 168 54.252 3.164 15.216 1.00 0.00 N ATOM 401 CA LEU A 168 55.465 2.675 14.533 1.00 0.00 C ATOM 402 C LEU A 168 56.360 1.812 15.461 1.00 0.00 C ATOM 403 O LEU A 168 56.059 1.626 16.642 1.00 0.00 O ATOM 404 CB LEU A 168 56.218 3.879 13.904 1.00 0.00 C ATOM 405 CG LEU A 168 56.503 5.132 14.770 1.00 0.00 C ATOM 406 CD1 LEU A 168 57.144 4.868 16.138 1.00 0.00 C ATOM 407 CD2 LEU A 168 57.435 6.055 13.975 1.00 0.00 C ATOM 0 H LEU A 168 54.300 4.152 15.465 1.00 0.00 H new ATOM 0 HA LEU A 168 55.171 2.000 13.729 1.00 0.00 H new ATOM 0 HB2 LEU A 168 57.176 3.510 13.536 1.00 0.00 H new ATOM 0 HB3 LEU A 168 55.647 4.205 13.035 1.00 0.00 H new ATOM 0 HG LEU A 168 55.529 5.571 14.984 1.00 0.00 H new ATOM 0 HD11 LEU A 168 57.298 5.814 16.656 1.00 0.00 H new ATOM 0 HD12 LEU A 168 56.487 4.232 16.731 1.00 0.00 H new ATOM 0 HD13 LEU A 168 58.104 4.370 16.000 1.00 0.00 H new ATOM 0 HD21 LEU A 168 57.652 6.947 14.563 1.00 0.00 H new ATOM 0 HD22 LEU A 168 58.365 5.531 13.754 1.00 0.00 H new ATOM 0 HD23 LEU A 168 56.951 6.344 13.042 1.00 0.00 H new ATOM 419 N THR A 169 57.465 1.285 14.910 1.00 0.00 N ATOM 420 CA THR A 169 58.483 0.504 15.638 1.00 0.00 C ATOM 421 C THR A 169 59.397 1.401 16.473 1.00 0.00 C ATOM 422 O THR A 169 59.826 2.467 16.030 1.00 0.00 O ATOM 423 CB THR A 169 59.291 -0.377 14.670 1.00 0.00 C ATOM 424 OG1 THR A 169 60.209 -1.115 15.439 1.00 0.00 O ATOM 425 CG2 THR A 169 60.061 0.409 13.608 1.00 0.00 C ATOM 0 H THR A 169 57.683 1.392 13.919 1.00 0.00 H new ATOM 0 HA THR A 169 57.960 -0.152 16.334 1.00 0.00 H new ATOM 0 HB THR A 169 58.584 -1.007 14.130 1.00 0.00 H new ATOM 0 HG1 THR A 169 60.741 -1.690 14.850 1.00 0.00 H new ATOM 0 HG21 THR A 169 60.605 -0.284 12.965 1.00 0.00 H new ATOM 0 HG22 THR A 169 59.361 0.989 13.006 1.00 0.00 H new ATOM 0 HG23 THR A 169 60.767 1.083 14.094 1.00 0.00 H new ATOM 433 N TYR A 170 59.768 0.924 17.663 1.00 0.00 N ATOM 434 CA TYR A 170 60.791 1.557 18.506 1.00 0.00 C ATOM 435 C TYR A 170 62.199 1.559 17.866 1.00 0.00 C ATOM 436 O TYR A 170 63.080 2.288 18.330 1.00 0.00 O ATOM 437 CB TYR A 170 60.806 0.876 19.884 1.00 0.00 C ATOM 438 CG TYR A 170 59.685 1.315 20.809 1.00 0.00 C ATOM 439 CD1 TYR A 170 58.414 0.711 20.744 1.00 0.00 C ATOM 440 CD2 TYR A 170 59.924 2.336 21.750 1.00 0.00 C ATOM 441 CE1 TYR A 170 57.386 1.122 21.617 1.00 0.00 C ATOM 442 CE2 TYR A 170 58.907 2.750 22.628 1.00 0.00 C ATOM 443 CZ TYR A 170 57.634 2.137 22.569 1.00 0.00 C ATOM 444 OH TYR A 170 56.659 2.525 23.436 1.00 0.00 O ATOM 0 H TYR A 170 59.366 0.082 18.074 1.00 0.00 H new ATOM 0 HA TYR A 170 60.522 2.607 18.616 1.00 0.00 H new ATOM 0 HB2 TYR A 170 60.744 -0.203 19.744 1.00 0.00 H new ATOM 0 HB3 TYR A 170 61.761 1.081 20.367 1.00 0.00 H new ATOM 0 HD1 TYR A 170 58.226 -0.070 20.022 1.00 0.00 H new ATOM 0 HD2 TYR A 170 60.896 2.804 21.797 1.00 0.00 H new ATOM 0 HE1 TYR A 170 56.411 0.662 21.558 1.00 0.00 H new ATOM 0 HE2 TYR A 170 59.097 3.534 23.346 1.00 0.00 H new ATOM 0 HH TYR A 170 57.003 3.232 24.020 1.00 0.00 H new ATOM 454 N ASP A 171 62.412 0.791 16.789 1.00 0.00 N ATOM 455 CA ASP A 171 63.649 0.795 15.995 1.00 0.00 C ATOM 456 C ASP A 171 63.787 2.028 15.073 1.00 0.00 C ATOM 457 O ASP A 171 64.884 2.304 14.584 1.00 0.00 O ATOM 458 CB ASP A 171 63.735 -0.490 15.153 1.00 0.00 C ATOM 459 CG ASP A 171 63.963 -1.755 15.995 1.00 0.00 C ATOM 460 OD1 ASP A 171 65.017 -1.848 16.671 1.00 0.00 O ATOM 461 OD2 ASP A 171 63.109 -2.674 15.945 1.00 0.00 O ATOM 0 H ASP A 171 61.714 0.135 16.438 1.00 0.00 H new ATOM 0 HA ASP A 171 64.472 0.842 16.708 1.00 0.00 H new ATOM 0 HB2 ASP A 171 62.814 -0.604 14.581 1.00 0.00 H new ATOM 0 HB3 ASP A 171 64.547 -0.390 14.433 1.00 0.00 H new ATOM 466 N SER A 172 62.713 2.787 14.828 1.00 0.00 N ATOM 467 CA SER A 172 62.748 3.949 13.931 1.00 0.00 C ATOM 468 C SER A 172 63.518 5.143 14.514 1.00 0.00 C ATOM 469 O SER A 172 63.314 5.537 15.669 1.00 0.00 O ATOM 470 CB SER A 172 61.329 4.426 13.596 1.00 0.00 C ATOM 471 OG SER A 172 60.659 3.495 12.768 1.00 0.00 O ATOM 0 H SER A 172 61.798 2.614 15.244 1.00 0.00 H new ATOM 0 HA SER A 172 63.267 3.605 13.036 1.00 0.00 H new ATOM 0 HB2 SER A 172 60.764 4.570 14.517 1.00 0.00 H new ATOM 0 HB3 SER A 172 61.376 5.393 13.096 1.00 0.00 H new ATOM 0 HG SER A 172 60.829 3.712 11.828 1.00 0.00 H new ATOM 477 N THR A 173 64.325 5.785 13.661 1.00 0.00 N ATOM 478 CA THR A 173 64.884 7.131 13.866 1.00 0.00 C ATOM 479 C THR A 173 64.068 8.148 13.053 1.00 0.00 C ATOM 480 O THR A 173 63.430 7.752 12.074 1.00 0.00 O ATOM 481 CB THR A 173 66.366 7.179 13.452 1.00 0.00 C ATOM 482 OG1 THR A 173 66.472 7.012 12.062 1.00 0.00 O ATOM 483 CG2 THR A 173 67.216 6.112 14.144 1.00 0.00 C ATOM 0 H THR A 173 64.618 5.369 12.777 1.00 0.00 H new ATOM 0 HA THR A 173 64.825 7.381 14.925 1.00 0.00 H new ATOM 0 HB THR A 173 66.747 8.153 13.761 1.00 0.00 H new ATOM 0 HG1 THR A 173 66.347 6.067 11.836 1.00 0.00 H new ATOM 0 HG21 THR A 173 68.250 6.198 13.811 1.00 0.00 H new ATOM 0 HG22 THR A 173 67.170 6.254 15.224 1.00 0.00 H new ATOM 0 HG23 THR A 173 66.834 5.123 13.892 1.00 0.00 H new ATOM 491 N PRO A 174 64.100 9.453 13.384 1.00 0.00 N ATOM 492 CA PRO A 174 63.512 10.483 12.529 1.00 0.00 C ATOM 493 C PRO A 174 64.153 10.535 11.134 1.00 0.00 C ATOM 494 O PRO A 174 63.477 10.934 10.193 1.00 0.00 O ATOM 495 CB PRO A 174 63.665 11.801 13.293 1.00 0.00 C ATOM 496 CG PRO A 174 64.832 11.543 14.245 1.00 0.00 C ATOM 497 CD PRO A 174 64.682 10.057 14.575 1.00 0.00 C ATOM 0 HA PRO A 174 62.463 10.266 12.329 1.00 0.00 H new ATOM 0 HB2 PRO A 174 63.876 12.631 12.619 1.00 0.00 H new ATOM 0 HB3 PRO A 174 62.755 12.055 13.837 1.00 0.00 H new ATOM 0 HG2 PRO A 174 65.792 11.758 13.775 1.00 0.00 H new ATOM 0 HG3 PRO A 174 64.769 12.164 15.139 1.00 0.00 H new ATOM 0 HD2 PRO A 174 65.647 9.608 14.812 1.00 0.00 H new ATOM 0 HD3 PRO A 174 64.040 9.910 15.444 1.00 0.00 H new ATOM 505 N GLU A 175 65.404 10.083 10.956 1.00 0.00 N ATOM 506 CA GLU A 175 66.042 9.977 9.634 1.00 0.00 C ATOM 507 C GLU A 175 65.349 8.919 8.749 1.00 0.00 C ATOM 508 O GLU A 175 65.099 9.167 7.565 1.00 0.00 O ATOM 509 CB GLU A 175 67.531 9.636 9.804 1.00 0.00 C ATOM 510 CG GLU A 175 68.312 9.825 8.498 1.00 0.00 C ATOM 511 CD GLU A 175 69.812 9.584 8.709 1.00 0.00 C ATOM 512 OE1 GLU A 175 70.270 8.424 8.573 1.00 0.00 O ATOM 513 OE2 GLU A 175 70.547 10.557 9.007 1.00 0.00 O ATOM 0 H GLU A 175 66.002 9.780 11.725 1.00 0.00 H new ATOM 0 HA GLU A 175 65.943 10.939 9.132 1.00 0.00 H new ATOM 0 HB2 GLU A 175 67.962 10.268 10.580 1.00 0.00 H new ATOM 0 HB3 GLU A 175 67.631 8.604 10.141 1.00 0.00 H new ATOM 0 HG2 GLU A 175 67.933 9.137 7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 175 68.153 10.834 8.119 1.00 0.00 H new ATOM 520 N ASP A 176 64.979 7.769 9.327 1.00 0.00 N ATOM 521 CA ASP A 176 64.239 6.711 8.624 1.00 0.00 C ATOM 522 C ASP A 176 62.884 7.231 8.125 1.00 0.00 C ATOM 523 O ASP A 176 62.548 7.067 6.953 1.00 0.00 O ATOM 524 CB ASP A 176 64.005 5.495 9.535 1.00 0.00 C ATOM 525 CG ASP A 176 65.295 4.828 10.015 1.00 0.00 C ATOM 526 OD1 ASP A 176 66.110 4.395 9.167 1.00 0.00 O ATOM 527 OD2 ASP A 176 65.467 4.721 11.253 1.00 0.00 O ATOM 0 H ASP A 176 65.185 7.544 10.300 1.00 0.00 H new ATOM 0 HA ASP A 176 64.846 6.405 7.772 1.00 0.00 H new ATOM 0 HB2 ASP A 176 63.424 5.809 10.402 1.00 0.00 H new ATOM 0 HB3 ASP A 176 63.405 4.760 8.998 1.00 0.00 H new ATOM 532 N LEU A 177 62.139 7.920 9.001 1.00 0.00 N ATOM 533 CA LEU A 177 60.864 8.572 8.678 1.00 0.00 C ATOM 534 C LEU A 177 61.035 9.684 7.630 1.00 0.00 C ATOM 535 O LEU A 177 60.187 9.823 6.748 1.00 0.00 O ATOM 536 CB LEU A 177 60.225 9.109 9.980 1.00 0.00 C ATOM 537 CG LEU A 177 59.293 8.130 10.731 1.00 0.00 C ATOM 538 CD1 LEU A 177 57.900 8.108 10.111 1.00 0.00 C ATOM 539 CD2 LEU A 177 59.820 6.693 10.822 1.00 0.00 C ATOM 0 H LEU A 177 62.413 8.042 9.976 1.00 0.00 H new ATOM 0 HA LEU A 177 60.197 7.835 8.230 1.00 0.00 H new ATOM 0 HB2 LEU A 177 61.025 9.410 10.657 1.00 0.00 H new ATOM 0 HB3 LEU A 177 59.657 10.008 9.739 1.00 0.00 H new ATOM 0 HG LEU A 177 59.253 8.519 11.748 1.00 0.00 H new ATOM 0 HD11 LEU A 177 57.268 7.411 10.661 1.00 0.00 H new ATOM 0 HD12 LEU A 177 57.465 9.106 10.158 1.00 0.00 H new ATOM 0 HD13 LEU A 177 57.970 7.791 9.070 1.00 0.00 H new ATOM 0 HD21 LEU A 177 59.103 6.076 11.364 1.00 0.00 H new ATOM 0 HD22 LEU A 177 59.958 6.292 9.818 1.00 0.00 H new ATOM 0 HD23 LEU A 177 60.774 6.688 11.349 1.00 0.00 H new ATOM 551 N THR A 178 62.138 10.442 7.693 1.00 0.00 N ATOM 552 CA THR A 178 62.459 11.516 6.740 1.00 0.00 C ATOM 553 C THR A 178 62.661 10.949 5.345 1.00 0.00 C ATOM 554 O THR A 178 62.042 11.449 4.408 1.00 0.00 O ATOM 555 CB THR A 178 63.676 12.335 7.189 1.00 0.00 C ATOM 556 OG1 THR A 178 63.381 12.954 8.414 1.00 0.00 O ATOM 557 CG2 THR A 178 64.009 13.462 6.214 1.00 0.00 C ATOM 0 H THR A 178 62.845 10.325 8.419 1.00 0.00 H new ATOM 0 HA THR A 178 61.610 12.199 6.713 1.00 0.00 H new ATOM 0 HB THR A 178 64.517 11.644 7.252 1.00 0.00 H new ATOM 0 HG1 THR A 178 63.637 12.360 9.151 1.00 0.00 H new ATOM 0 HG21 THR A 178 64.877 14.012 6.576 1.00 0.00 H new ATOM 0 HG22 THR A 178 64.229 13.041 5.233 1.00 0.00 H new ATOM 0 HG23 THR A 178 63.158 14.139 6.136 1.00 0.00 H new ATOM 565 N GLU A 179 63.489 9.914 5.192 1.00 0.00 N ATOM 566 CA GLU A 179 63.763 9.297 3.893 1.00 0.00 C ATOM 567 C GLU A 179 62.523 8.577 3.332 1.00 0.00 C ATOM 568 O GLU A 179 62.213 8.725 2.148 1.00 0.00 O ATOM 569 CB GLU A 179 64.955 8.338 4.035 1.00 0.00 C ATOM 570 CG GLU A 179 65.414 7.789 2.680 1.00 0.00 C ATOM 571 CD GLU A 179 66.688 6.946 2.820 1.00 0.00 C ATOM 572 OE1 GLU A 179 66.584 5.723 3.078 1.00 0.00 O ATOM 573 OE2 GLU A 179 67.802 7.494 2.647 1.00 0.00 O ATOM 0 H GLU A 179 63.989 9.479 5.967 1.00 0.00 H new ATOM 0 HA GLU A 179 64.016 10.078 3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 179 65.784 8.858 4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 179 64.678 7.510 4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 179 64.620 7.182 2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 179 65.597 8.616 1.994 1.00 0.00 H new ATOM 580 N PHE A 180 61.785 7.855 4.185 1.00 0.00 N ATOM 581 CA PHE A 180 60.570 7.111 3.847 1.00 0.00 C ATOM 582 C PHE A 180 59.490 8.010 3.226 1.00 0.00 C ATOM 583 O PHE A 180 59.042 7.753 2.105 1.00 0.00 O ATOM 584 CB PHE A 180 60.083 6.439 5.137 1.00 0.00 C ATOM 585 CG PHE A 180 58.747 5.732 5.074 1.00 0.00 C ATOM 586 CD1 PHE A 180 58.642 4.474 4.453 1.00 0.00 C ATOM 587 CD2 PHE A 180 57.633 6.286 5.734 1.00 0.00 C ATOM 588 CE1 PHE A 180 57.447 3.739 4.550 1.00 0.00 C ATOM 589 CE2 PHE A 180 56.432 5.563 5.809 1.00 0.00 C ATOM 590 CZ PHE A 180 56.350 4.278 5.244 1.00 0.00 C ATOM 0 H PHE A 180 62.031 7.771 5.171 1.00 0.00 H new ATOM 0 HA PHE A 180 60.788 6.363 3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 180 60.836 5.715 5.449 1.00 0.00 H new ATOM 0 HB3 PHE A 180 60.029 7.199 5.917 1.00 0.00 H new ATOM 0 HD1 PHE A 180 59.479 4.073 3.902 1.00 0.00 H new ATOM 0 HD2 PHE A 180 57.703 7.266 6.182 1.00 0.00 H new ATOM 0 HE1 PHE A 180 57.372 2.763 4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 180 55.572 5.993 6.300 1.00 0.00 H new ATOM 0 HZ PHE A 180 55.441 3.703 5.344 1.00 0.00 H new ATOM 600 N PHE A 181 59.101 9.088 3.919 1.00 0.00 N ATOM 601 CA PHE A 181 58.095 10.029 3.423 1.00 0.00 C ATOM 602 C PHE A 181 58.596 10.896 2.251 1.00 0.00 C ATOM 603 O PHE A 181 57.818 11.258 1.369 1.00 0.00 O ATOM 604 CB PHE A 181 57.560 10.855 4.601 1.00 0.00 C ATOM 605 CG PHE A 181 56.525 10.150 5.461 1.00 0.00 C ATOM 606 CD1 PHE A 181 55.287 9.767 4.910 1.00 0.00 C ATOM 607 CD2 PHE A 181 56.777 9.908 6.825 1.00 0.00 C ATOM 608 CE1 PHE A 181 54.298 9.172 5.714 1.00 0.00 C ATOM 609 CE2 PHE A 181 55.794 9.286 7.621 1.00 0.00 C ATOM 610 CZ PHE A 181 54.555 8.922 7.070 1.00 0.00 C ATOM 0 H PHE A 181 59.475 9.330 4.837 1.00 0.00 H new ATOM 0 HA PHE A 181 57.271 9.460 2.993 1.00 0.00 H new ATOM 0 HB2 PHE A 181 58.399 11.145 5.233 1.00 0.00 H new ATOM 0 HB3 PHE A 181 57.122 11.774 4.212 1.00 0.00 H new ATOM 0 HD1 PHE A 181 55.095 9.932 3.860 1.00 0.00 H new ATOM 0 HD2 PHE A 181 57.722 10.198 7.260 1.00 0.00 H new ATOM 0 HE1 PHE A 181 53.342 8.908 5.288 1.00 0.00 H new ATOM 0 HE2 PHE A 181 55.996 9.088 8.663 1.00 0.00 H new ATOM 0 HZ PHE A 181 53.804 8.452 7.687 1.00 0.00 H new ATOM 620 N SER A 182 59.903 11.170 2.164 1.00 0.00 N ATOM 621 CA SER A 182 60.504 11.951 1.060 1.00 0.00 C ATOM 622 C SER A 182 60.593 11.202 -0.289 1.00 0.00 C ATOM 623 O SER A 182 61.032 11.784 -1.281 1.00 0.00 O ATOM 624 CB SER A 182 61.864 12.544 1.456 1.00 0.00 C ATOM 625 OG SER A 182 61.724 13.377 2.598 1.00 0.00 O ATOM 0 H SER A 182 60.583 10.858 2.858 1.00 0.00 H new ATOM 0 HA SER A 182 59.803 12.768 0.889 1.00 0.00 H new ATOM 0 HB2 SER A 182 62.571 11.742 1.667 1.00 0.00 H new ATOM 0 HB3 SER A 182 62.273 13.119 0.626 1.00 0.00 H new ATOM 0 HG SER A 182 61.539 12.824 3.386 1.00 0.00 H new ATOM 631 N GLN A 183 60.135 9.945 -0.375 1.00 0.00 N ATOM 632 CA GLN A 183 59.907 9.273 -1.664 1.00 0.00 C ATOM 633 C GLN A 183 58.754 9.913 -2.472 1.00 0.00 C ATOM 634 O GLN A 183 58.703 9.761 -3.693 1.00 0.00 O ATOM 635 CB GLN A 183 59.628 7.780 -1.437 1.00 0.00 C ATOM 636 CG GLN A 183 60.840 7.030 -0.866 1.00 0.00 C ATOM 637 CD GLN A 183 60.628 5.515 -0.818 1.00 0.00 C ATOM 638 OE1 GLN A 183 59.529 5.000 -0.632 1.00 0.00 O ATOM 639 NE2 GLN A 183 61.676 4.738 -1.010 1.00 0.00 N ATOM 0 H GLN A 183 59.914 9.370 0.438 1.00 0.00 H new ATOM 0 HA GLN A 183 60.816 9.393 -2.254 1.00 0.00 H new ATOM 0 HB2 GLN A 183 58.785 7.672 -0.755 1.00 0.00 H new ATOM 0 HB3 GLN A 183 59.335 7.322 -2.382 1.00 0.00 H new ATOM 0 HG2 GLN A 183 61.718 7.251 -1.473 1.00 0.00 H new ATOM 0 HG3 GLN A 183 61.048 7.396 0.140 1.00 0.00 H new ATOM 0 HE21 GLN A 183 62.595 5.151 -1.166 1.00 0.00 H new ATOM 0 HE22 GLN A 183 61.567 3.724 -1.003 1.00 0.00 H new ATOM 648 N ILE A 184 57.848 10.651 -1.812 1.00 0.00 N ATOM 649 CA ILE A 184 56.732 11.385 -2.446 1.00 0.00 C ATOM 650 C ILE A 184 57.177 12.766 -2.962 1.00 0.00 C ATOM 651 O ILE A 184 56.762 13.192 -4.044 1.00 0.00 O ATOM 652 CB ILE A 184 55.572 11.530 -1.428 1.00 0.00 C ATOM 653 CG1 ILE A 184 55.101 10.177 -0.851 1.00 0.00 C ATOM 654 CG2 ILE A 184 54.376 12.301 -2.014 1.00 0.00 C ATOM 655 CD1 ILE A 184 54.364 9.251 -1.825 1.00 0.00 C ATOM 0 H ILE A 184 57.868 10.759 -0.798 1.00 0.00 H new ATOM 0 HA ILE A 184 56.391 10.816 -3.311 1.00 0.00 H new ATOM 0 HB ILE A 184 55.986 12.111 -0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 184 55.971 9.647 -0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 184 54.446 10.375 -0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 184 53.589 12.377 -1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 184 54.696 13.301 -2.307 1.00 0.00 H new ATOM 0 HG23 ILE A 184 53.995 11.772 -2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 184 54.081 8.333 -1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 184 53.468 9.750 -2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 184 55.017 9.011 -2.664 1.00 0.00 H new ATOM 667 N GLY A 185 58.022 13.457 -2.187 1.00 0.00 N ATOM 668 CA GLY A 185 58.471 14.834 -2.426 1.00 0.00 C ATOM 669 C GLY A 185 59.550 15.254 -1.433 1.00 0.00 C ATOM 670 O GLY A 185 60.720 14.915 -1.610 1.00 0.00 O ATOM 0 H GLY A 185 58.428 13.056 -1.342 1.00 0.00 H new ATOM 0 HA2 GLY A 185 58.857 14.920 -3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 185 57.621 15.513 -2.349 1.00 0.00 H new ATOM 674 N LYS A 186 59.159 15.971 -0.372 1.00 0.00 N ATOM 675 CA LYS A 186 60.062 16.456 0.688 1.00 0.00 C ATOM 676 C LYS A 186 59.397 16.441 2.083 1.00 0.00 C ATOM 677 O LYS A 186 58.401 17.129 2.311 1.00 0.00 O ATOM 678 CB LYS A 186 60.541 17.889 0.357 1.00 0.00 C ATOM 679 CG LYS A 186 61.509 17.954 -0.837 1.00 0.00 C ATOM 680 CD LYS A 186 62.025 19.374 -1.127 1.00 0.00 C ATOM 681 CE LYS A 186 62.933 19.916 -0.010 1.00 0.00 C ATOM 682 NZ LYS A 186 63.488 21.255 -0.355 1.00 0.00 N ATOM 0 H LYS A 186 58.186 16.238 -0.220 1.00 0.00 H new ATOM 0 HA LYS A 186 60.912 15.774 0.723 1.00 0.00 H new ATOM 0 HB2 LYS A 186 59.673 18.513 0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 186 61.031 18.311 1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 186 62.358 17.299 -0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 186 61.006 17.570 -1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 186 62.576 19.371 -2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 186 61.176 20.045 -1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 186 62.367 19.985 0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 186 63.751 19.217 0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 64.095 21.589 0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 64.049 21.184 -1.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 62.708 21.928 -0.499 1.00 0.00 H new ATOM 696 N VAL A 187 60.010 15.739 3.041 1.00 0.00 N ATOM 697 CA VAL A 187 59.822 16.014 4.481 1.00 0.00 C ATOM 698 C VAL A 187 60.593 17.293 4.825 1.00 0.00 C ATOM 699 O VAL A 187 61.755 17.422 4.442 1.00 0.00 O ATOM 700 CB VAL A 187 60.326 14.843 5.356 1.00 0.00 C ATOM 701 CG1 VAL A 187 60.501 15.206 6.839 1.00 0.00 C ATOM 702 CG2 VAL A 187 59.356 13.668 5.258 1.00 0.00 C ATOM 0 H VAL A 187 60.648 14.967 2.849 1.00 0.00 H new ATOM 0 HA VAL A 187 58.758 16.135 4.686 1.00 0.00 H new ATOM 0 HB VAL A 187 61.310 14.583 4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 187 60.857 14.334 7.388 1.00 0.00 H new ATOM 0 HG12 VAL A 187 61.226 16.014 6.933 1.00 0.00 H new ATOM 0 HG13 VAL A 187 59.544 15.528 7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 187 59.716 12.846 5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 187 58.371 13.979 5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 187 59.287 13.339 4.221 1.00 0.00 H new ATOM 712 N VAL A 188 59.964 18.215 5.560 1.00 0.00 N ATOM 713 CA VAL A 188 60.625 19.447 6.050 1.00 0.00 C ATOM 714 C VAL A 188 61.290 19.239 7.423 1.00 0.00 C ATOM 715 O VAL A 188 62.240 19.950 7.741 1.00 0.00 O ATOM 716 CB VAL A 188 59.700 20.695 6.101 1.00 0.00 C ATOM 717 CG1 VAL A 188 60.430 21.924 5.537 1.00 0.00 C ATOM 718 CG2 VAL A 188 58.397 20.552 5.307 1.00 0.00 C ATOM 0 H VAL A 188 58.985 18.137 5.836 1.00 0.00 H new ATOM 0 HA VAL A 188 61.392 19.653 5.303 1.00 0.00 H new ATOM 0 HB VAL A 188 59.447 20.806 7.155 1.00 0.00 H new ATOM 0 HG11 VAL A 188 59.770 22.790 5.579 1.00 0.00 H new ATOM 0 HG12 VAL A 188 61.324 22.120 6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 188 60.715 21.735 4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 188 57.813 21.468 5.398 1.00 0.00 H new ATOM 0 HG22 VAL A 188 58.629 20.372 4.257 1.00 0.00 H new ATOM 0 HG23 VAL A 188 57.821 19.714 5.701 1.00 0.00 H new ATOM 728 N ARG A 189 60.820 18.247 8.200 1.00 0.00 N ATOM 729 CA ARG A 189 61.332 17.809 9.514 1.00 0.00 C ATOM 730 C ARG A 189 60.556 16.575 10.011 1.00 0.00 C ATOM 731 O ARG A 189 59.354 16.479 9.774 1.00 0.00 O ATOM 732 CB ARG A 189 61.215 18.950 10.556 1.00 0.00 C ATOM 733 CG ARG A 189 62.587 19.516 10.963 1.00 0.00 C ATOM 734 CD ARG A 189 62.464 20.704 11.926 1.00 0.00 C ATOM 735 NE ARG A 189 61.979 20.294 13.259 1.00 0.00 N ATOM 736 CZ ARG A 189 61.548 21.104 14.222 1.00 0.00 C ATOM 737 NH1 ARG A 189 61.494 22.410 14.064 1.00 0.00 N ATOM 738 NH2 ARG A 189 61.165 20.601 15.376 1.00 0.00 N ATOM 0 H ARG A 189 60.017 17.691 7.908 1.00 0.00 H new ATOM 0 HA ARG A 189 62.383 17.546 9.395 1.00 0.00 H new ATOM 0 HB2 ARG A 189 60.602 19.752 10.145 1.00 0.00 H new ATOM 0 HB3 ARG A 189 60.701 18.578 11.442 1.00 0.00 H new ATOM 0 HG2 ARG A 189 63.177 18.729 11.433 1.00 0.00 H new ATOM 0 HG3 ARG A 189 63.128 19.829 10.070 1.00 0.00 H new ATOM 0 HD2 ARG A 189 63.435 21.189 12.028 1.00 0.00 H new ATOM 0 HD3 ARG A 189 61.782 21.442 11.504 1.00 0.00 H new ATOM 0 HE ARG A 189 61.974 19.294 13.461 1.00 0.00 H new ATOM 0 HH11 ARG A 189 61.788 22.830 13.182 1.00 0.00 H new ATOM 0 HH12 ARG A 189 61.158 23.002 14.824 1.00 0.00 H new ATOM 0 HH21 ARG A 189 61.199 19.593 15.530 1.00 0.00 H new ATOM 0 HH22 ARG A 189 60.834 21.219 16.117 1.00 0.00 H new ATOM 752 N ALA A 190 61.215 15.666 10.731 1.00 0.00 N ATOM 753 CA ALA A 190 60.600 14.562 11.485 1.00 0.00 C ATOM 754 C ALA A 190 61.124 14.487 12.937 1.00 0.00 C ATOM 755 O ALA A 190 62.214 14.979 13.241 1.00 0.00 O ATOM 756 CB ALA A 190 60.871 13.252 10.736 1.00 0.00 C ATOM 0 H ALA A 190 62.232 15.675 10.811 1.00 0.00 H new ATOM 0 HA ALA A 190 59.527 14.738 11.556 1.00 0.00 H new ATOM 0 HB1 ALA A 190 60.422 12.422 11.281 1.00 0.00 H new ATOM 0 HB2 ALA A 190 60.437 13.307 9.737 1.00 0.00 H new ATOM 0 HB3 ALA A 190 61.947 13.094 10.656 1.00 0.00 H new ATOM 762 N ASP A 191 60.358 13.843 13.824 1.00 0.00 N ATOM 763 CA ASP A 191 60.671 13.634 15.247 1.00 0.00 C ATOM 764 C ASP A 191 59.932 12.398 15.793 1.00 0.00 C ATOM 765 O ASP A 191 58.789 12.144 15.414 1.00 0.00 O ATOM 766 CB ASP A 191 60.297 14.889 16.053 1.00 0.00 C ATOM 767 CG ASP A 191 60.618 14.734 17.549 1.00 0.00 C ATOM 768 OD1 ASP A 191 61.781 14.397 17.882 1.00 0.00 O ATOM 769 OD2 ASP A 191 59.712 14.961 18.386 1.00 0.00 O ATOM 0 H ASP A 191 59.462 13.434 13.560 1.00 0.00 H new ATOM 0 HA ASP A 191 61.742 13.456 15.348 1.00 0.00 H new ATOM 0 HB2 ASP A 191 60.836 15.749 15.655 1.00 0.00 H new ATOM 0 HB3 ASP A 191 59.234 15.094 15.930 1.00 0.00 H new ATOM 774 N ILE A 192 60.574 11.617 16.671 1.00 0.00 N ATOM 775 CA ILE A 192 60.044 10.348 17.218 1.00 0.00 C ATOM 776 C ILE A 192 60.514 10.161 18.672 1.00 0.00 C ATOM 777 O ILE A 192 61.682 10.407 18.984 1.00 0.00 O ATOM 778 CB ILE A 192 60.452 9.119 16.357 1.00 0.00 C ATOM 779 CG1 ILE A 192 60.424 9.389 14.835 1.00 0.00 C ATOM 780 CG2 ILE A 192 59.537 7.926 16.697 1.00 0.00 C ATOM 781 CD1 ILE A 192 60.684 8.154 13.974 1.00 0.00 C ATOM 0 H ILE A 192 61.499 11.850 17.033 1.00 0.00 H new ATOM 0 HA ILE A 192 58.956 10.412 17.193 1.00 0.00 H new ATOM 0 HB ILE A 192 61.489 8.892 16.606 1.00 0.00 H new ATOM 0 HG12 ILE A 192 59.452 9.805 14.569 1.00 0.00 H new ATOM 0 HG13 ILE A 192 61.171 10.147 14.598 1.00 0.00 H new ATOM 0 HG21 ILE A 192 59.823 7.065 16.093 1.00 0.00 H new ATOM 0 HG22 ILE A 192 59.639 7.679 17.754 1.00 0.00 H new ATOM 0 HG23 ILE A 192 58.501 8.190 16.485 1.00 0.00 H new ATOM 0 HD11 ILE A 192 60.647 8.431 12.920 1.00 0.00 H new ATOM 0 HD12 ILE A 192 61.668 7.748 14.208 1.00 0.00 H new ATOM 0 HD13 ILE A 192 59.923 7.401 14.179 1.00 0.00 H new ATOM 933 N MET A 202 55.885 6.780 19.461 1.00 0.00 N ATOM 934 CA MET A 202 55.118 7.672 18.568 1.00 0.00 C ATOM 935 C MET A 202 56.023 8.740 17.947 1.00 0.00 C ATOM 936 O MET A 202 57.066 9.075 18.507 1.00 0.00 O ATOM 937 CB MET A 202 53.970 8.361 19.331 1.00 0.00 C ATOM 938 CG MET A 202 52.928 7.385 19.888 1.00 0.00 C ATOM 939 SD MET A 202 51.602 8.209 20.804 1.00 0.00 S ATOM 940 CE MET A 202 50.518 6.789 21.079 1.00 0.00 C ATOM 0 HA MET A 202 54.700 7.054 17.774 1.00 0.00 H new ATOM 0 HB2 MET A 202 54.389 8.940 20.154 1.00 0.00 H new ATOM 0 HB3 MET A 202 53.474 9.067 18.664 1.00 0.00 H new ATOM 0 HG2 MET A 202 52.494 6.817 19.065 1.00 0.00 H new ATOM 0 HG3 MET A 202 53.424 6.669 20.543 1.00 0.00 H new ATOM 0 HE1 MET A 202 49.636 7.107 21.636 1.00 0.00 H new ATOM 0 HE2 MET A 202 50.211 6.374 20.119 1.00 0.00 H new ATOM 0 HE3 MET A 202 51.052 6.028 21.648 1.00 0.00 H new ATOM 950 N GLY A 203 55.618 9.291 16.801 1.00 0.00 N ATOM 951 CA GLY A 203 56.331 10.368 16.107 1.00 0.00 C ATOM 952 C GLY A 203 55.431 11.309 15.312 1.00 0.00 C ATOM 953 O GLY A 203 54.205 11.166 15.289 1.00 0.00 O ATOM 0 H GLY A 203 54.769 8.996 16.319 1.00 0.00 H new ATOM 0 HA2 GLY A 203 56.887 10.951 16.841 1.00 0.00 H new ATOM 0 HA3 GLY A 203 57.062 9.926 15.430 1.00 0.00 H new ATOM 957 N THR A 204 56.047 12.281 14.640 1.00 0.00 N ATOM 958 CA THR A 204 55.387 13.358 13.884 1.00 0.00 C ATOM 959 C THR A 204 56.306 13.780 12.743 1.00 0.00 C ATOM 960 O THR A 204 57.525 13.771 12.903 1.00 0.00 O ATOM 961 CB THR A 204 55.087 14.571 14.789 1.00 0.00 C ATOM 962 OG1 THR A 204 54.530 14.163 16.020 1.00 0.00 O ATOM 963 CG2 THR A 204 54.090 15.541 14.148 1.00 0.00 C ATOM 0 H THR A 204 57.064 12.347 14.603 1.00 0.00 H new ATOM 0 HA THR A 204 54.438 12.991 13.494 1.00 0.00 H new ATOM 0 HB THR A 204 56.045 15.069 14.939 1.00 0.00 H new ATOM 0 HG1 THR A 204 54.351 14.951 16.575 1.00 0.00 H new ATOM 0 HG21 THR A 204 53.911 16.378 14.823 1.00 0.00 H new ATOM 0 HG22 THR A 204 54.498 15.914 13.208 1.00 0.00 H new ATOM 0 HG23 THR A 204 53.151 15.023 13.956 1.00 0.00 H new ATOM 971 N VAL A 205 55.730 14.141 11.596 1.00 0.00 N ATOM 972 CA VAL A 205 56.482 14.527 10.382 1.00 0.00 C ATOM 973 C VAL A 205 55.826 15.748 9.724 1.00 0.00 C ATOM 974 O VAL A 205 54.607 15.876 9.738 1.00 0.00 O ATOM 975 CB VAL A 205 56.601 13.336 9.396 1.00 0.00 C ATOM 976 CG1 VAL A 205 57.439 13.669 8.154 1.00 0.00 C ATOM 977 CG2 VAL A 205 57.197 12.078 10.051 1.00 0.00 C ATOM 0 H VAL A 205 54.718 14.177 11.473 1.00 0.00 H new ATOM 0 HA VAL A 205 57.497 14.802 10.670 1.00 0.00 H new ATOM 0 HB VAL A 205 55.573 13.135 9.093 1.00 0.00 H new ATOM 0 HG11 VAL A 205 57.486 12.797 7.502 1.00 0.00 H new ATOM 0 HG12 VAL A 205 56.980 14.499 7.617 1.00 0.00 H new ATOM 0 HG13 VAL A 205 58.447 13.948 8.460 1.00 0.00 H new ATOM 0 HG21 VAL A 205 57.256 11.277 9.314 1.00 0.00 H new ATOM 0 HG22 VAL A 205 58.196 12.301 10.425 1.00 0.00 H new ATOM 0 HG23 VAL A 205 56.561 11.763 10.879 1.00 0.00 H new ATOM 987 N GLU A 206 56.634 16.651 9.168 1.00 0.00 N ATOM 988 CA GLU A 206 56.220 17.893 8.506 1.00 0.00 C ATOM 989 C GLU A 206 56.469 17.797 6.994 1.00 0.00 C ATOM 990 O GLU A 206 57.549 17.382 6.569 1.00 0.00 O ATOM 991 CB GLU A 206 57.000 19.067 9.124 1.00 0.00 C ATOM 992 CG GLU A 206 56.454 20.432 8.678 1.00 0.00 C ATOM 993 CD GLU A 206 57.209 21.637 9.266 1.00 0.00 C ATOM 994 OE1 GLU A 206 58.246 21.466 9.952 1.00 0.00 O ATOM 995 OE2 GLU A 206 56.763 22.784 9.023 1.00 0.00 O ATOM 0 H GLU A 206 57.647 16.532 9.166 1.00 0.00 H new ATOM 0 HA GLU A 206 55.153 18.057 8.654 1.00 0.00 H new ATOM 0 HB2 GLU A 206 56.954 18.998 10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 206 58.050 18.990 8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 206 56.494 20.489 7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 206 55.404 20.501 8.963 1.00 0.00 H new ATOM 1002 N PHE A 207 55.495 18.224 6.184 1.00 0.00 N ATOM 1003 CA PHE A 207 55.514 18.219 4.712 1.00 0.00 C ATOM 1004 C PHE A 207 55.432 19.639 4.127 1.00 0.00 C ATOM 1005 O PHE A 207 54.960 20.572 4.783 1.00 0.00 O ATOM 1006 CB PHE A 207 54.318 17.405 4.196 1.00 0.00 C ATOM 1007 CG PHE A 207 54.586 15.932 3.981 1.00 0.00 C ATOM 1008 CD1 PHE A 207 54.859 15.097 5.079 1.00 0.00 C ATOM 1009 CD2 PHE A 207 54.503 15.387 2.683 1.00 0.00 C ATOM 1010 CE1 PHE A 207 55.007 13.716 4.883 1.00 0.00 C ATOM 1011 CE2 PHE A 207 54.634 14.002 2.491 1.00 0.00 C ATOM 1012 CZ PHE A 207 54.858 13.169 3.597 1.00 0.00 C ATOM 0 H PHE A 207 54.624 18.603 6.555 1.00 0.00 H new ATOM 0 HA PHE A 207 56.458 17.776 4.395 1.00 0.00 H new ATOM 0 HB2 PHE A 207 53.496 17.509 4.904 1.00 0.00 H new ATOM 0 HB3 PHE A 207 53.984 17.838 3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 207 54.954 15.517 6.069 1.00 0.00 H new ATOM 0 HD2 PHE A 207 54.338 16.036 1.835 1.00 0.00 H new ATOM 0 HE1 PHE A 207 55.235 13.073 5.720 1.00 0.00 H new ATOM 0 HE2 PHE A 207 54.563 13.581 1.499 1.00 0.00 H new ATOM 0 HZ PHE A 207 54.916 12.099 3.459 1.00 0.00 H new ATOM 1022 N THR A 208 55.856 19.785 2.861 1.00 0.00 N ATOM 1023 CA THR A 208 55.832 21.066 2.136 1.00 0.00 C ATOM 1024 C THR A 208 54.477 21.389 1.492 1.00 0.00 C ATOM 1025 O THR A 208 54.186 22.572 1.313 1.00 0.00 O ATOM 1026 CB THR A 208 56.949 21.129 1.084 1.00 0.00 C ATOM 1027 OG1 THR A 208 56.709 20.134 0.112 1.00 0.00 O ATOM 1028 CG2 THR A 208 58.352 20.909 1.646 1.00 0.00 C ATOM 0 H THR A 208 56.227 19.012 2.308 1.00 0.00 H new ATOM 0 HA THR A 208 56.004 21.831 2.893 1.00 0.00 H new ATOM 0 HB THR A 208 56.925 22.137 0.671 1.00 0.00 H new ATOM 0 HG1 THR A 208 57.414 20.164 -0.568 1.00 0.00 H new ATOM 0 HG21 THR A 208 59.081 20.969 0.838 1.00 0.00 H new ATOM 0 HG22 THR A 208 58.570 21.675 2.390 1.00 0.00 H new ATOM 0 HG23 THR A 208 58.407 19.925 2.112 1.00 0.00 H new ATOM 1036 N ASN A 209 53.636 20.390 1.163 1.00 0.00 N ATOM 1037 CA ASN A 209 52.432 20.587 0.331 1.00 0.00 C ATOM 1038 C ASN A 209 51.233 19.670 0.621 1.00 0.00 C ATOM 1039 O ASN A 209 51.375 18.478 0.896 1.00 0.00 O ATOM 1040 CB ASN A 209 52.815 20.500 -1.158 1.00 0.00 C ATOM 1041 CG ASN A 209 53.532 21.743 -1.676 1.00 0.00 C ATOM 1042 OD1 ASN A 209 52.910 22.752 -1.992 1.00 0.00 O ATOM 1043 ND2 ASN A 209 54.848 21.702 -1.800 1.00 0.00 N ATOM 0 H ASN A 209 53.771 19.425 1.465 1.00 0.00 H new ATOM 0 HA ASN A 209 52.073 21.580 0.602 1.00 0.00 H new ATOM 0 HB2 ASN A 209 53.455 19.631 -1.310 1.00 0.00 H new ATOM 0 HB3 ASN A 209 51.913 20.338 -1.748 1.00 0.00 H new ATOM 0 HD21 ASN A 209 55.352 22.512 -2.160 1.00 0.00 H new ATOM 0 HD22 ASN A 209 55.359 20.860 -1.535 1.00 0.00 H new ATOM 1050 N SER A 210 50.039 20.267 0.508 1.00 0.00 N ATOM 1051 CA SER A 210 48.746 19.814 1.053 1.00 0.00 C ATOM 1052 C SER A 210 48.063 18.657 0.299 1.00 0.00 C ATOM 1053 O SER A 210 47.173 18.018 0.866 1.00 0.00 O ATOM 1054 CB SER A 210 47.793 21.019 1.143 1.00 0.00 C ATOM 1055 OG SER A 210 47.702 21.714 -0.095 1.00 0.00 O ATOM 0 H SER A 210 49.941 21.144 -0.004 1.00 0.00 H new ATOM 0 HA SER A 210 48.974 19.398 2.034 1.00 0.00 H new ATOM 0 HB2 SER A 210 46.802 20.677 1.442 1.00 0.00 H new ATOM 0 HB3 SER A 210 48.142 21.701 1.918 1.00 0.00 H new ATOM 0 HG SER A 210 47.087 22.471 -0.001 1.00 0.00 H new ATOM 1061 N ASP A 211 48.492 18.336 -0.929 1.00 0.00 N ATOM 1062 CA ASP A 211 48.064 17.124 -1.650 1.00 0.00 C ATOM 1063 C ASP A 211 49.122 16.006 -1.617 1.00 0.00 C ATOM 1064 O ASP A 211 48.756 14.838 -1.506 1.00 0.00 O ATOM 1065 CB ASP A 211 47.621 17.459 -3.082 1.00 0.00 C ATOM 1066 CG ASP A 211 48.789 17.663 -4.059 1.00 0.00 C ATOM 1067 OD1 ASP A 211 49.373 18.773 -4.070 1.00 0.00 O ATOM 1068 OD2 ASP A 211 49.098 16.715 -4.821 1.00 0.00 O ATOM 0 H ASP A 211 49.149 18.911 -1.455 1.00 0.00 H new ATOM 0 HA ASP A 211 47.197 16.729 -1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 211 46.985 16.656 -3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 211 47.013 18.364 -3.062 1.00 0.00 H new ATOM 1073 N ASP A 212 50.420 16.341 -1.628 1.00 0.00 N ATOM 1074 CA ASP A 212 51.515 15.370 -1.478 1.00 0.00 C ATOM 1075 C ASP A 212 51.445 14.669 -0.112 1.00 0.00 C ATOM 1076 O ASP A 212 51.556 13.447 -0.027 1.00 0.00 O ATOM 1077 CB ASP A 212 52.875 16.073 -1.649 1.00 0.00 C ATOM 1078 CG ASP A 212 53.116 16.587 -3.079 1.00 0.00 C ATOM 1079 OD1 ASP A 212 53.464 15.771 -3.967 1.00 0.00 O ATOM 1080 OD2 ASP A 212 52.976 17.811 -3.308 1.00 0.00 O ATOM 0 H ASP A 212 50.743 17.302 -1.742 1.00 0.00 H new ATOM 0 HA ASP A 212 51.408 14.612 -2.254 1.00 0.00 H new ATOM 0 HB2 ASP A 212 52.934 16.911 -0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 212 53.672 15.379 -1.380 1.00 0.00 H new ATOM 1085 N VAL A 213 51.184 15.444 0.944 1.00 0.00 N ATOM 1086 CA VAL A 213 51.044 14.969 2.331 1.00 0.00 C ATOM 1087 C VAL A 213 49.872 13.997 2.543 1.00 0.00 C ATOM 1088 O VAL A 213 49.997 13.036 3.301 1.00 0.00 O ATOM 1089 CB VAL A 213 50.971 16.183 3.279 1.00 0.00 C ATOM 1090 CG1 VAL A 213 49.759 17.097 3.052 1.00 0.00 C ATOM 1091 CG2 VAL A 213 51.061 15.792 4.757 1.00 0.00 C ATOM 0 H VAL A 213 51.060 16.453 0.859 1.00 0.00 H new ATOM 0 HA VAL A 213 51.929 14.378 2.565 1.00 0.00 H new ATOM 0 HB VAL A 213 51.856 16.762 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 213 49.789 17.924 3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 213 49.785 17.490 2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 213 48.841 16.527 3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 213 51.004 16.688 5.375 1.00 0.00 H new ATOM 0 HG22 VAL A 213 50.236 15.125 5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 213 52.007 15.284 4.942 1.00 0.00 H new ATOM 1101 N ASP A 214 48.751 14.200 1.844 1.00 0.00 N ATOM 1102 CA ASP A 214 47.630 13.252 1.843 1.00 0.00 C ATOM 1103 C ASP A 214 47.921 11.992 1.007 1.00 0.00 C ATOM 1104 O ASP A 214 47.723 10.873 1.487 1.00 0.00 O ATOM 1105 CB ASP A 214 46.349 13.949 1.375 1.00 0.00 C ATOM 1106 CG ASP A 214 45.167 12.975 1.454 1.00 0.00 C ATOM 1107 OD1 ASP A 214 44.714 12.679 2.583 1.00 0.00 O ATOM 1108 OD2 ASP A 214 44.719 12.479 0.393 1.00 0.00 O ATOM 0 H ASP A 214 48.594 15.024 1.264 1.00 0.00 H new ATOM 0 HA ASP A 214 47.489 12.910 2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 214 46.153 14.824 1.995 1.00 0.00 H new ATOM 0 HB3 ASP A 214 46.471 14.305 0.352 1.00 0.00 H new ATOM 1113 N ARG A 215 48.443 12.172 -0.215 1.00 0.00 N ATOM 1114 CA ARG A 215 48.817 11.088 -1.136 1.00 0.00 C ATOM 1115 C ARG A 215 49.851 10.132 -0.526 1.00 0.00 C ATOM 1116 O ARG A 215 49.766 8.922 -0.741 1.00 0.00 O ATOM 1117 CB ARG A 215 49.356 11.693 -2.445 1.00 0.00 C ATOM 1118 CG ARG A 215 48.219 12.162 -3.373 1.00 0.00 C ATOM 1119 CD ARG A 215 48.679 13.157 -4.451 1.00 0.00 C ATOM 1120 NE ARG A 215 49.920 12.718 -5.123 1.00 0.00 N ATOM 1121 CZ ARG A 215 51.043 13.423 -5.209 1.00 0.00 C ATOM 1122 NH1 ARG A 215 51.090 14.703 -4.929 1.00 0.00 N ATOM 1123 NH2 ARG A 215 52.166 12.841 -5.570 1.00 0.00 N ATOM 0 H ARG A 215 48.621 13.099 -0.600 1.00 0.00 H new ATOM 0 HA ARG A 215 47.923 10.499 -1.338 1.00 0.00 H new ATOM 0 HB2 ARG A 215 50.007 12.536 -2.214 1.00 0.00 H new ATOM 0 HB3 ARG A 215 49.965 10.952 -2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 215 47.774 11.293 -3.858 1.00 0.00 H new ATOM 0 HG3 ARG A 215 47.437 12.626 -2.771 1.00 0.00 H new ATOM 0 HD2 ARG A 215 47.889 13.277 -5.193 1.00 0.00 H new ATOM 0 HD3 ARG A 215 48.840 14.134 -3.996 1.00 0.00 H new ATOM 0 HE ARG A 215 49.914 11.795 -5.558 1.00 0.00 H new ATOM 0 HH11 ARG A 215 50.245 15.192 -4.633 1.00 0.00 H new ATOM 0 HH12 ARG A 215 51.972 15.210 -5.007 1.00 0.00 H new ATOM 0 HH21 ARG A 215 52.177 11.844 -5.785 1.00 0.00 H new ATOM 0 HH22 ARG A 215 53.025 13.387 -5.635 1.00 0.00 H new ATOM 1137 N ALA A 216 50.773 10.657 0.289 1.00 0.00 N ATOM 1138 CA ALA A 216 51.715 9.878 1.087 1.00 0.00 C ATOM 1139 C ALA A 216 50.992 8.872 1.994 1.00 0.00 C ATOM 1140 O ALA A 216 51.179 7.666 1.892 1.00 0.00 O ATOM 1141 CB ALA A 216 52.566 10.868 1.900 1.00 0.00 C ATOM 0 H ALA A 216 50.884 11.663 0.412 1.00 0.00 H new ATOM 0 HA ALA A 216 52.356 9.284 0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 216 53.282 10.317 2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 216 53.102 11.531 1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 216 51.918 11.459 2.547 1.00 0.00 H new ATOM 1147 N ILE A 217 50.106 9.346 2.865 1.00 0.00 N ATOM 1148 CA ILE A 217 49.450 8.498 3.883 1.00 0.00 C ATOM 1149 C ILE A 217 48.454 7.512 3.269 1.00 0.00 C ATOM 1150 O ILE A 217 48.333 6.383 3.744 1.00 0.00 O ATOM 1151 CB ILE A 217 48.845 9.424 4.949 1.00 0.00 C ATOM 1152 CG1 ILE A 217 50.041 9.956 5.764 1.00 0.00 C ATOM 1153 CG2 ILE A 217 47.808 8.724 5.846 1.00 0.00 C ATOM 1154 CD1 ILE A 217 49.675 11.226 6.513 1.00 0.00 C ATOM 0 H ILE A 217 49.816 10.324 2.894 1.00 0.00 H new ATOM 0 HA ILE A 217 50.182 7.850 4.365 1.00 0.00 H new ATOM 0 HB ILE A 217 48.284 10.230 4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 217 50.369 9.195 6.472 1.00 0.00 H new ATOM 0 HG13 ILE A 217 50.880 10.153 5.097 1.00 0.00 H new ATOM 0 HG21 ILE A 217 47.420 9.434 6.577 1.00 0.00 H new ATOM 0 HG22 ILE A 217 46.988 8.351 5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 217 48.280 7.890 6.366 1.00 0.00 H new ATOM 0 HD11 ILE A 217 50.538 11.577 7.078 1.00 0.00 H new ATOM 0 HD12 ILE A 217 49.371 11.993 5.801 1.00 0.00 H new ATOM 0 HD13 ILE A 217 48.852 11.020 7.198 1.00 0.00 H new ATOM 1166 N ARG A 218 47.849 7.896 2.142 1.00 0.00 N ATOM 1167 CA ARG A 218 47.064 6.997 1.284 1.00 0.00 C ATOM 1168 C ARG A 218 47.867 5.794 0.733 1.00 0.00 C ATOM 1169 O ARG A 218 47.254 4.826 0.277 1.00 0.00 O ATOM 1170 CB ARG A 218 46.380 7.804 0.157 1.00 0.00 C ATOM 1171 CG ARG A 218 44.908 8.129 0.467 1.00 0.00 C ATOM 1172 CD ARG A 218 44.673 9.037 1.685 1.00 0.00 C ATOM 1173 NE ARG A 218 43.252 8.994 2.078 1.00 0.00 N ATOM 1174 CZ ARG A 218 42.266 9.772 1.642 1.00 0.00 C ATOM 1175 NH1 ARG A 218 42.479 10.849 0.918 1.00 0.00 N ATOM 1176 NH2 ARG A 218 41.021 9.461 1.937 1.00 0.00 N ATOM 0 H ARG A 218 47.890 8.853 1.793 1.00 0.00 H new ATOM 0 HA ARG A 218 46.296 6.549 1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 218 46.927 8.733 -0.002 1.00 0.00 H new ATOM 0 HB3 ARG A 218 46.435 7.239 -0.773 1.00 0.00 H new ATOM 0 HG2 ARG A 218 44.467 8.604 -0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 218 44.373 7.193 0.625 1.00 0.00 H new ATOM 0 HD2 ARG A 218 45.299 8.713 2.517 1.00 0.00 H new ATOM 0 HD3 ARG A 218 44.963 10.061 1.447 1.00 0.00 H new ATOM 0 HE ARG A 218 42.996 8.284 2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 218 43.431 11.116 0.670 1.00 0.00 H new ATOM 0 HH12 ARG A 218 41.692 11.417 0.605 1.00 0.00 H new ATOM 0 HH21 ARG A 218 40.821 8.631 2.495 1.00 0.00 H new ATOM 0 HH22 ARG A 218 40.256 10.051 1.608 1.00 0.00 H new ATOM 1190 N GLN A 219 49.205 5.803 0.809 1.00 0.00 N ATOM 1191 CA GLN A 219 50.092 4.693 0.506 1.00 0.00 C ATOM 1192 C GLN A 219 50.685 4.059 1.788 1.00 0.00 C ATOM 1193 O GLN A 219 50.780 2.832 1.860 1.00 0.00 O ATOM 1194 CB GLN A 219 51.170 5.265 -0.435 1.00 0.00 C ATOM 1195 CG GLN A 219 52.275 4.251 -0.708 1.00 0.00 C ATOM 1196 CD GLN A 219 53.271 4.669 -1.800 1.00 0.00 C ATOM 1197 OE1 GLN A 219 53.099 5.636 -2.534 1.00 0.00 O ATOM 1198 NE2 GLN A 219 54.359 3.939 -1.962 1.00 0.00 N ATOM 0 H GLN A 219 49.717 6.636 1.101 1.00 0.00 H new ATOM 0 HA GLN A 219 49.559 3.873 0.025 1.00 0.00 H new ATOM 0 HB2 GLN A 219 50.710 5.564 -1.377 1.00 0.00 H new ATOM 0 HB3 GLN A 219 51.601 6.163 0.008 1.00 0.00 H new ATOM 0 HG2 GLN A 219 52.824 4.073 0.217 1.00 0.00 H new ATOM 0 HG3 GLN A 219 51.818 3.304 -0.995 1.00 0.00 H new ATOM 0 HE21 GLN A 219 54.524 3.130 -1.363 1.00 0.00 H new ATOM 0 HE22 GLN A 219 55.035 4.184 -2.686 1.00 0.00 H new ATOM 1207 N TYR A 220 51.080 4.855 2.793 1.00 0.00 N ATOM 1208 CA TYR A 220 51.921 4.386 3.912 1.00 0.00 C ATOM 1209 C TYR A 220 51.201 3.940 5.199 1.00 0.00 C ATOM 1210 O TYR A 220 51.835 3.302 6.042 1.00 0.00 O ATOM 1211 CB TYR A 220 52.942 5.473 4.269 1.00 0.00 C ATOM 1212 CG TYR A 220 53.874 5.870 3.143 1.00 0.00 C ATOM 1213 CD1 TYR A 220 54.622 4.902 2.443 1.00 0.00 C ATOM 1214 CD2 TYR A 220 53.996 7.227 2.800 1.00 0.00 C ATOM 1215 CE1 TYR A 220 55.474 5.292 1.393 1.00 0.00 C ATOM 1216 CE2 TYR A 220 54.842 7.628 1.757 1.00 0.00 C ATOM 1217 CZ TYR A 220 55.580 6.658 1.041 1.00 0.00 C ATOM 1218 OH TYR A 220 56.390 7.030 0.016 1.00 0.00 O ATOM 0 H TYR A 220 50.827 5.841 2.856 1.00 0.00 H new ATOM 0 HA TYR A 220 52.380 3.475 3.529 1.00 0.00 H new ATOM 0 HB2 TYR A 220 52.404 6.359 4.605 1.00 0.00 H new ATOM 0 HB3 TYR A 220 53.541 5.126 5.111 1.00 0.00 H new ATOM 0 HD1 TYR A 220 54.541 3.859 2.713 1.00 0.00 H new ATOM 0 HD2 TYR A 220 53.432 7.969 3.346 1.00 0.00 H new ATOM 0 HE1 TYR A 220 56.046 4.549 0.857 1.00 0.00 H new ATOM 0 HE2 TYR A 220 54.930 8.674 1.501 1.00 0.00 H new ATOM 0 HH TYR A 220 55.852 7.176 -0.790 1.00 0.00 H new ATOM 1228 N ASP A 221 49.912 4.233 5.394 1.00 0.00 N ATOM 1229 CA ASP A 221 49.186 3.717 6.564 1.00 0.00 C ATOM 1230 C ASP A 221 49.044 2.183 6.461 1.00 0.00 C ATOM 1231 O ASP A 221 48.502 1.673 5.475 1.00 0.00 O ATOM 1232 CB ASP A 221 47.833 4.427 6.685 1.00 0.00 C ATOM 1233 CG ASP A 221 47.153 4.103 8.021 1.00 0.00 C ATOM 1234 OD1 ASP A 221 47.672 4.560 9.068 1.00 0.00 O ATOM 1235 OD2 ASP A 221 46.111 3.407 8.012 1.00 0.00 O ATOM 0 H ASP A 221 49.354 4.815 4.769 1.00 0.00 H new ATOM 0 HA ASP A 221 49.746 3.926 7.476 1.00 0.00 H new ATOM 0 HB2 ASP A 221 47.976 5.504 6.599 1.00 0.00 H new ATOM 0 HB3 ASP A 221 47.186 4.124 5.862 1.00 0.00 H new ATOM 1240 N GLY A 222 49.575 1.441 7.446 1.00 0.00 N ATOM 1241 CA GLY A 222 49.744 -0.019 7.355 1.00 0.00 C ATOM 1242 C GLY A 222 51.109 -0.485 6.857 1.00 0.00 C ATOM 1243 O GLY A 222 51.290 -1.695 6.723 1.00 0.00 O ATOM 0 H GLY A 222 49.900 1.836 8.329 1.00 0.00 H new ATOM 0 HA2 GLY A 222 49.567 -0.451 8.340 1.00 0.00 H new ATOM 0 HA3 GLY A 222 48.977 -0.417 6.690 1.00 0.00 H new ATOM 1247 N ALA A 223 52.058 0.411 6.553 1.00 0.00 N ATOM 1248 CA ALA A 223 53.422 0.015 6.196 1.00 0.00 C ATOM 1249 C ALA A 223 54.088 -0.761 7.347 1.00 0.00 C ATOM 1250 O ALA A 223 54.481 -0.197 8.371 1.00 0.00 O ATOM 1251 CB ALA A 223 54.250 1.239 5.774 1.00 0.00 C ATOM 0 H ALA A 223 51.902 1.419 6.548 1.00 0.00 H new ATOM 0 HA ALA A 223 53.374 -0.658 5.340 1.00 0.00 H new ATOM 0 HB1 ALA A 223 55.260 0.923 5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 223 53.784 1.714 4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 223 54.294 1.950 6.599 1.00 0.00 H new ATOM 1257 N PHE A 224 54.230 -2.072 7.153 1.00 0.00 N ATOM 1258 CA PHE A 224 55.172 -2.912 7.893 1.00 0.00 C ATOM 1259 C PHE A 224 56.588 -2.311 7.807 1.00 0.00 C ATOM 1260 O PHE A 224 57.135 -2.139 6.714 1.00 0.00 O ATOM 1261 CB PHE A 224 55.144 -4.339 7.323 1.00 0.00 C ATOM 1262 CG PHE A 224 53.872 -5.114 7.615 1.00 0.00 C ATOM 1263 CD1 PHE A 224 52.771 -5.052 6.736 1.00 0.00 C ATOM 1264 CD2 PHE A 224 53.791 -5.907 8.776 1.00 0.00 C ATOM 1265 CE1 PHE A 224 51.621 -5.818 6.995 1.00 0.00 C ATOM 1266 CE2 PHE A 224 52.628 -6.647 9.049 1.00 0.00 C ATOM 1267 CZ PHE A 224 51.550 -6.620 8.148 1.00 0.00 C ATOM 0 H PHE A 224 53.684 -2.590 6.465 1.00 0.00 H new ATOM 0 HA PHE A 224 54.883 -2.952 8.943 1.00 0.00 H new ATOM 0 HB2 PHE A 224 55.282 -4.287 6.243 1.00 0.00 H new ATOM 0 HB3 PHE A 224 55.992 -4.893 7.726 1.00 0.00 H new ATOM 0 HD1 PHE A 224 52.811 -4.416 5.864 1.00 0.00 H new ATOM 0 HD2 PHE A 224 54.626 -5.947 9.459 1.00 0.00 H new ATOM 0 HE1 PHE A 224 50.789 -5.790 6.306 1.00 0.00 H new ATOM 0 HE2 PHE A 224 52.563 -7.237 9.951 1.00 0.00 H new ATOM 0 HZ PHE A 224 50.669 -7.214 8.341 1.00 0.00 H new ATOM 1277 N PHE A 225 57.168 -1.995 8.967 1.00 0.00 N ATOM 1278 CA PHE A 225 58.409 -1.236 9.116 1.00 0.00 C ATOM 1279 C PHE A 225 59.207 -1.862 10.271 1.00 0.00 C ATOM 1280 O PHE A 225 58.754 -1.858 11.417 1.00 0.00 O ATOM 1281 CB PHE A 225 58.027 0.238 9.349 1.00 0.00 C ATOM 1282 CG PHE A 225 59.035 1.255 8.863 1.00 0.00 C ATOM 1283 CD1 PHE A 225 59.091 1.544 7.488 1.00 0.00 C ATOM 1284 CD2 PHE A 225 59.860 1.960 9.760 1.00 0.00 C ATOM 1285 CE1 PHE A 225 59.969 2.527 7.008 1.00 0.00 C ATOM 1286 CE2 PHE A 225 60.743 2.945 9.277 1.00 0.00 C ATOM 1287 CZ PHE A 225 60.797 3.232 7.901 1.00 0.00 C ATOM 0 H PHE A 225 56.769 -2.273 9.864 1.00 0.00 H new ATOM 0 HA PHE A 225 59.046 -1.270 8.232 1.00 0.00 H new ATOM 0 HB2 PHE A 225 57.075 0.431 8.855 1.00 0.00 H new ATOM 0 HB3 PHE A 225 57.869 0.390 10.417 1.00 0.00 H new ATOM 0 HD1 PHE A 225 58.456 1.007 6.799 1.00 0.00 H new ATOM 0 HD2 PHE A 225 59.816 1.746 10.818 1.00 0.00 H new ATOM 0 HE1 PHE A 225 60.010 2.743 5.951 1.00 0.00 H new ATOM 0 HE2 PHE A 225 61.380 3.481 9.965 1.00 0.00 H new ATOM 0 HZ PHE A 225 61.471 3.990 7.531 1.00 0.00 H new ATOM 1297 N MET A 226 60.336 -2.510 9.949 1.00 0.00 N ATOM 1298 CA MET A 226 61.030 -3.477 10.829 1.00 0.00 C ATOM 1299 C MET A 226 60.064 -4.563 11.361 1.00 0.00 C ATOM 1300 O MET A 226 60.070 -4.896 12.548 1.00 0.00 O ATOM 1301 CB MET A 226 61.810 -2.774 11.958 1.00 0.00 C ATOM 1302 CG MET A 226 62.718 -1.631 11.480 1.00 0.00 C ATOM 1303 SD MET A 226 64.021 -2.111 10.317 1.00 0.00 S ATOM 1304 CE MET A 226 64.814 -0.495 10.123 1.00 0.00 C ATOM 0 H MET A 226 60.806 -2.378 9.053 1.00 0.00 H new ATOM 0 HA MET A 226 61.773 -3.993 10.220 1.00 0.00 H new ATOM 0 HB2 MET A 226 61.099 -2.379 12.684 1.00 0.00 H new ATOM 0 HB3 MET A 226 62.419 -3.513 12.478 1.00 0.00 H new ATOM 0 HG2 MET A 226 62.097 -0.868 11.010 1.00 0.00 H new ATOM 0 HG3 MET A 226 63.183 -1.170 12.351 1.00 0.00 H new ATOM 0 HE1 MET A 226 65.654 -0.582 9.433 1.00 0.00 H new ATOM 0 HE2 MET A 226 64.092 0.219 9.727 1.00 0.00 H new ATOM 0 HE3 MET A 226 65.174 -0.148 11.091 1.00 0.00 H new ATOM 1314 N ASP A 227 59.180 -5.054 10.477 1.00 0.00 N ATOM 1315 CA ASP A 227 58.162 -6.101 10.704 1.00 0.00 C ATOM 1316 C ASP A 227 56.909 -5.642 11.490 1.00 0.00 C ATOM 1317 O ASP A 227 56.006 -6.454 11.711 1.00 0.00 O ATOM 1318 CB ASP A 227 58.775 -7.398 11.279 1.00 0.00 C ATOM 1319 CG ASP A 227 59.901 -7.961 10.398 1.00 0.00 C ATOM 1320 OD1 ASP A 227 59.596 -8.469 9.291 1.00 0.00 O ATOM 1321 OD2 ASP A 227 61.083 -7.922 10.818 1.00 0.00 O ATOM 0 H ASP A 227 59.153 -4.708 9.518 1.00 0.00 H new ATOM 0 HA ASP A 227 57.783 -6.328 9.708 1.00 0.00 H new ATOM 0 HB2 ASP A 227 59.165 -7.200 12.277 1.00 0.00 H new ATOM 0 HB3 ASP A 227 57.992 -8.149 11.386 1.00 0.00 H new ATOM 1326 N ARG A 228 56.821 -4.363 11.894 1.00 0.00 N ATOM 1327 CA ARG A 228 55.695 -3.804 12.669 1.00 0.00 C ATOM 1328 C ARG A 228 54.945 -2.725 11.878 1.00 0.00 C ATOM 1329 O ARG A 228 55.551 -1.804 11.335 1.00 0.00 O ATOM 1330 CB ARG A 228 56.207 -3.224 14.000 1.00 0.00 C ATOM 1331 CG ARG A 228 56.886 -4.279 14.889 1.00 0.00 C ATOM 1332 CD ARG A 228 57.330 -3.681 16.231 1.00 0.00 C ATOM 1333 NE ARG A 228 58.080 -4.669 17.030 1.00 0.00 N ATOM 1334 CZ ARG A 228 57.584 -5.593 17.848 1.00 0.00 C ATOM 1335 NH1 ARG A 228 56.290 -5.727 18.063 1.00 0.00 N ATOM 1336 NH2 ARG A 228 58.403 -6.414 18.471 1.00 0.00 N ATOM 0 H ARG A 228 57.544 -3.674 11.688 1.00 0.00 H new ATOM 0 HA ARG A 228 54.995 -4.614 12.872 1.00 0.00 H new ATOM 0 HB2 ARG A 228 56.914 -2.421 13.793 1.00 0.00 H new ATOM 0 HB3 ARG A 228 55.372 -2.781 14.543 1.00 0.00 H new ATOM 0 HG2 ARG A 228 56.197 -5.104 15.067 1.00 0.00 H new ATOM 0 HG3 ARG A 228 57.751 -4.692 14.370 1.00 0.00 H new ATOM 0 HD2 ARG A 228 57.952 -2.804 16.054 1.00 0.00 H new ATOM 0 HD3 ARG A 228 56.457 -3.344 16.790 1.00 0.00 H new ATOM 0 HE ARG A 228 59.096 -4.640 16.945 1.00 0.00 H new ATOM 0 HH11 ARG A 228 55.628 -5.109 17.594 1.00 0.00 H new ATOM 0 HH12 ARG A 228 55.951 -6.449 18.698 1.00 0.00 H new ATOM 0 HH21 ARG A 228 59.410 -6.339 18.325 1.00 0.00 H new ATOM 0 HH22 ARG A 228 58.031 -7.125 19.100 1.00 0.00 H new ATOM 1350 N LYS A 229 53.616 -2.814 11.801 1.00 0.00 N ATOM 1351 CA LYS A 229 52.782 -1.846 11.068 1.00 0.00 C ATOM 1352 C LYS A 229 52.708 -0.472 11.764 1.00 0.00 C ATOM 1353 O LYS A 229 51.957 -0.307 12.725 1.00 0.00 O ATOM 1354 CB LYS A 229 51.369 -2.419 10.864 1.00 0.00 C ATOM 1355 CG LYS A 229 51.314 -3.447 9.736 1.00 0.00 C ATOM 1356 CD LYS A 229 49.867 -3.759 9.326 1.00 0.00 C ATOM 1357 CE LYS A 229 49.143 -4.610 10.382 1.00 0.00 C ATOM 1358 NZ LYS A 229 47.787 -5.027 9.924 1.00 0.00 N ATOM 0 H LYS A 229 53.081 -3.560 12.245 1.00 0.00 H new ATOM 0 HA LYS A 229 53.256 -1.682 10.101 1.00 0.00 H new ATOM 0 HB2 LYS A 229 51.031 -2.882 11.791 1.00 0.00 H new ATOM 0 HB3 LYS A 229 50.678 -1.605 10.644 1.00 0.00 H new ATOM 0 HG2 LYS A 229 51.864 -3.071 8.873 1.00 0.00 H new ATOM 0 HG3 LYS A 229 51.808 -4.365 10.055 1.00 0.00 H new ATOM 0 HD2 LYS A 229 49.323 -2.826 9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 229 49.866 -4.286 8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 229 49.739 -5.495 10.606 1.00 0.00 H new ATOM 0 HE3 LYS A 229 49.055 -4.042 11.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 47.331 -5.599 10.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 47.210 -4.183 9.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 47.872 -5.591 9.054 1.00 0.00 H new ATOM 1372 N ILE A 230 53.427 0.536 11.249 1.00 0.00 N ATOM 1373 CA ILE A 230 53.097 1.956 11.464 1.00 0.00 C ATOM 1374 C ILE A 230 51.629 2.246 11.088 1.00 0.00 C ATOM 1375 O ILE A 230 51.097 1.694 10.121 1.00 0.00 O ATOM 1376 CB ILE A 230 54.080 2.917 10.722 1.00 0.00 C ATOM 1377 CG1 ILE A 230 53.651 3.243 9.268 1.00 0.00 C ATOM 1378 CG2 ILE A 230 55.530 2.393 10.744 1.00 0.00 C ATOM 1379 CD1 ILE A 230 54.639 4.113 8.483 1.00 0.00 C ATOM 0 H ILE A 230 54.255 0.391 10.671 1.00 0.00 H new ATOM 0 HA ILE A 230 53.218 2.154 12.529 1.00 0.00 H new ATOM 0 HB ILE A 230 54.037 3.850 11.284 1.00 0.00 H new ATOM 0 HG12 ILE A 230 53.506 2.307 8.729 1.00 0.00 H new ATOM 0 HG13 ILE A 230 52.686 3.748 9.294 1.00 0.00 H new ATOM 0 HG21 ILE A 230 56.178 3.093 10.217 1.00 0.00 H new ATOM 0 HG22 ILE A 230 55.866 2.295 11.776 1.00 0.00 H new ATOM 0 HG23 ILE A 230 55.573 1.420 10.255 1.00 0.00 H new ATOM 0 HD11 ILE A 230 54.252 4.287 7.479 1.00 0.00 H new ATOM 0 HD12 ILE A 230 54.768 5.068 8.993 1.00 0.00 H new ATOM 0 HD13 ILE A 230 55.601 3.604 8.419 1.00 0.00 H new ATOM 1391 N PHE A 231 51.017 3.180 11.816 1.00 0.00 N ATOM 1392 CA PHE A 231 49.719 3.773 11.495 1.00 0.00 C ATOM 1393 C PHE A 231 49.812 5.290 11.696 1.00 0.00 C ATOM 1394 O PHE A 231 50.576 5.755 12.542 1.00 0.00 O ATOM 1395 CB PHE A 231 48.610 3.135 12.348 1.00 0.00 C ATOM 1396 CG PHE A 231 48.305 1.687 11.997 1.00 0.00 C ATOM 1397 CD1 PHE A 231 47.463 1.388 10.909 1.00 0.00 C ATOM 1398 CD2 PHE A 231 48.860 0.635 12.749 1.00 0.00 C ATOM 1399 CE1 PHE A 231 47.180 0.051 10.576 1.00 0.00 C ATOM 1400 CE2 PHE A 231 48.570 -0.702 12.425 1.00 0.00 C ATOM 1401 CZ PHE A 231 47.730 -0.995 11.337 1.00 0.00 C ATOM 0 H PHE A 231 51.424 3.556 12.672 1.00 0.00 H new ATOM 0 HA PHE A 231 49.458 3.579 10.455 1.00 0.00 H new ATOM 0 HB2 PHE A 231 48.899 3.189 13.398 1.00 0.00 H new ATOM 0 HB3 PHE A 231 47.699 3.723 12.237 1.00 0.00 H new ATOM 0 HD1 PHE A 231 47.032 2.189 10.327 1.00 0.00 H new ATOM 0 HD2 PHE A 231 49.513 0.856 13.580 1.00 0.00 H new ATOM 0 HE1 PHE A 231 46.540 -0.172 9.735 1.00 0.00 H new ATOM 0 HE2 PHE A 231 48.993 -1.504 13.012 1.00 0.00 H new ATOM 0 HZ PHE A 231 47.508 -2.022 11.086 1.00 0.00 H new ATOM 1411 N VAL A 232 49.077 6.062 10.899 1.00 0.00 N ATOM 1412 CA VAL A 232 49.261 7.517 10.759 1.00 0.00 C ATOM 1413 C VAL A 232 47.957 8.204 10.352 1.00 0.00 C ATOM 1414 O VAL A 232 47.214 7.698 9.511 1.00 0.00 O ATOM 1415 CB VAL A 232 50.422 7.865 9.783 1.00 0.00 C ATOM 1416 CG1 VAL A 232 50.411 7.017 8.497 1.00 0.00 C ATOM 1417 CG2 VAL A 232 50.475 9.356 9.378 1.00 0.00 C ATOM 0 H VAL A 232 48.322 5.694 10.320 1.00 0.00 H new ATOM 0 HA VAL A 232 49.545 7.903 11.738 1.00 0.00 H new ATOM 0 HB VAL A 232 51.313 7.629 10.365 1.00 0.00 H new ATOM 0 HG11 VAL A 232 51.246 7.310 7.861 1.00 0.00 H new ATOM 0 HG12 VAL A 232 50.505 5.962 8.756 1.00 0.00 H new ATOM 0 HG13 VAL A 232 49.474 7.178 7.963 1.00 0.00 H new ATOM 0 HG21 VAL A 232 51.311 9.519 8.697 1.00 0.00 H new ATOM 0 HG22 VAL A 232 49.544 9.632 8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 232 50.608 9.970 10.268 1.00 0.00 H new ATOM 1427 N ARG A 233 47.717 9.383 10.939 1.00 0.00 N ATOM 1428 CA ARG A 233 46.604 10.274 10.602 1.00 0.00 C ATOM 1429 C ARG A 233 47.138 11.605 10.059 1.00 0.00 C ATOM 1430 O ARG A 233 48.125 12.146 10.567 1.00 0.00 O ATOM 1431 CB ARG A 233 45.707 10.468 11.839 1.00 0.00 C ATOM 1432 CG ARG A 233 44.320 11.010 11.451 1.00 0.00 C ATOM 1433 CD ARG A 233 43.410 11.253 12.663 1.00 0.00 C ATOM 1434 NE ARG A 233 43.168 10.037 13.464 1.00 0.00 N ATOM 1435 CZ ARG A 233 42.348 9.026 13.188 1.00 0.00 C ATOM 1436 NH1 ARG A 233 41.658 8.964 12.068 1.00 0.00 N ATOM 1437 NH2 ARG A 233 42.213 8.047 14.055 1.00 0.00 N ATOM 0 H ARG A 233 48.310 9.752 11.682 1.00 0.00 H new ATOM 0 HA ARG A 233 45.995 9.827 9.816 1.00 0.00 H new ATOM 0 HB2 ARG A 233 45.594 9.518 12.361 1.00 0.00 H new ATOM 0 HB3 ARG A 233 46.187 11.158 12.533 1.00 0.00 H new ATOM 0 HG2 ARG A 233 44.442 11.944 10.902 1.00 0.00 H new ATOM 0 HG3 ARG A 233 43.836 10.304 10.776 1.00 0.00 H new ATOM 0 HD2 ARG A 233 43.860 12.015 13.299 1.00 0.00 H new ATOM 0 HD3 ARG A 233 42.455 11.649 12.318 1.00 0.00 H new ATOM 0 HE ARG A 233 43.693 9.963 14.335 1.00 0.00 H new ATOM 0 HH11 ARG A 233 41.742 9.708 11.375 1.00 0.00 H new ATOM 0 HH12 ARG A 233 41.040 8.172 11.893 1.00 0.00 H new ATOM 0 HH21 ARG A 233 42.735 8.066 14.931 1.00 0.00 H new ATOM 0 HH22 ARG A 233 41.587 7.268 13.851 1.00 0.00 H new