USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 267 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 37 ASN : amide:sc= 0.938 K(o=0.86,f=-0.0044) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0764 X(o=0.86,f=0.99) USER MOD Single : A 29 GLN : amide:sc= 0.761 K(o=0.76,f=-0.00069) USER MOD Single : A 33 TYR OH : rot -166:sc= 0.587 USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.38 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.68 USER MOD Single : A 61 MET CE :methyl 177:sc= 0 (180deg=-0.0236) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.245 31.183 -29.465 1.00 0.00 N ATOM 438 CA GLN A 29 -14.291 32.468 -28.761 1.00 0.00 C ATOM 439 C GLN A 29 -14.207 32.233 -27.249 1.00 0.00 C ATOM 440 O GLN A 29 -15.180 31.849 -26.601 1.00 0.00 O ATOM 441 CB GLN A 29 -15.599 33.216 -29.077 1.00 0.00 C ATOM 442 CG GLN A 29 -15.897 33.436 -30.569 1.00 0.00 C ATOM 443 CD GLN A 29 -17.269 32.896 -30.951 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.124 33.594 -31.477 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.503 31.629 -30.685 1.00 0.00 N ATOM 0 HA GLN A 29 -13.446 33.070 -29.094 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.428 32.662 -28.638 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.568 34.188 -28.584 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.848 34.501 -30.798 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.132 32.945 -31.170 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.781 31.058 -30.246 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.407 31.217 -30.918 1.00 0.00 H new ATOM 454 N ILE A 30 -13.032 32.454 -26.676 1.00 0.00 N ATOM 455 CA ILE A 30 -12.811 32.416 -25.234 1.00 0.00 C ATOM 456 C ILE A 30 -13.243 33.760 -24.641 1.00 0.00 C ATOM 457 O ILE A 30 -12.562 34.778 -24.777 1.00 0.00 O ATOM 458 CB ILE A 30 -11.347 32.056 -24.914 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.954 30.618 -25.320 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.094 32.167 -23.396 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.141 30.182 -26.777 1.00 0.00 C ATOM 0 H ILE A 30 -12.189 32.669 -27.209 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.414 31.633 -24.775 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.748 32.760 -25.492 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.903 30.480 -25.067 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.525 29.932 -24.695 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.057 31.911 -23.180 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.291 33.188 -23.068 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.755 31.481 -22.866 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.817 29.147 -26.892 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.193 30.266 -27.050 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.546 30.822 -27.428 1.00 0.00 H new ATOM 473 N ALA A 31 -14.371 33.735 -23.939 1.00 0.00 N ATOM 474 CA ALA A 31 -14.831 34.821 -23.086 1.00 0.00 C ATOM 475 C ALA A 31 -14.435 34.547 -21.629 1.00 0.00 C ATOM 476 O ALA A 31 -14.146 33.409 -21.247 1.00 0.00 O ATOM 477 CB ALA A 31 -16.346 34.965 -23.249 1.00 0.00 C ATOM 0 H ALA A 31 -15.006 32.937 -23.949 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.361 35.760 -23.377 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.705 35.776 -22.615 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.580 35.187 -24.290 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.833 34.034 -22.958 1.00 0.00 H new ATOM 483 N ARG A 32 -14.447 35.586 -20.796 1.00 0.00 N ATOM 484 CA ARG A 32 -14.344 35.466 -19.338 1.00 0.00 C ATOM 485 C ARG A 32 -15.612 35.986 -18.678 1.00 0.00 C ATOM 486 O ARG A 32 -16.319 36.819 -19.246 1.00 0.00 O ATOM 487 CB ARG A 32 -13.067 36.154 -18.826 1.00 0.00 C ATOM 488 CG ARG A 32 -11.866 35.206 -18.942 1.00 0.00 C ATOM 489 CD ARG A 32 -10.520 35.911 -18.719 1.00 0.00 C ATOM 490 NE ARG A 32 -10.059 35.816 -17.321 1.00 0.00 N ATOM 491 CZ ARG A 32 -10.214 36.705 -16.358 1.00 0.00 C ATOM 492 NH1 ARG A 32 -10.835 37.836 -16.511 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.742 36.490 -15.170 1.00 0.00 N ATOM 0 H ARG A 32 -14.530 36.551 -21.117 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.255 34.415 -19.064 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.879 37.061 -19.401 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.201 36.457 -17.787 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.973 34.402 -18.214 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.869 34.744 -19.929 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.770 35.472 -19.377 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.612 36.961 -18.997 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.561 34.962 -17.069 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.237 38.079 -17.417 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.921 38.481 -15.726 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.242 35.624 -14.969 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.870 37.187 -14.436 1.00 0.00 H new ATOM 507 N TYR A 33 -15.878 35.504 -17.468 1.00 0.00 N ATOM 508 CA TYR A 33 -17.006 35.939 -16.640 1.00 0.00 C ATOM 509 C TYR A 33 -16.620 36.034 -15.154 1.00 0.00 C ATOM 510 O TYR A 33 -15.909 35.171 -14.639 1.00 0.00 O ATOM 511 CB TYR A 33 -18.201 35.003 -16.827 1.00 0.00 C ATOM 512 CG TYR A 33 -18.791 34.932 -18.219 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.201 34.125 -19.210 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.965 35.646 -18.505 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.809 34.010 -20.474 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.568 35.541 -19.766 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.015 34.691 -20.739 1.00 0.00 C ATOM 518 OH TYR A 33 -20.681 34.495 -21.901 1.00 0.00 O ATOM 0 H TYR A 33 -15.306 34.786 -17.024 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.289 36.939 -16.969 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.897 33.998 -16.534 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.987 35.312 -16.138 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.283 33.595 -19.001 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.406 36.280 -17.750 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.352 33.401 -21.240 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.457 36.113 -19.990 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.357 35.195 -22.013 1.00 0.00 H new ATOM 528 N ARG A 34 -17.096 37.081 -14.464 1.00 0.00 N ATOM 529 CA ARG A 34 -16.858 37.354 -13.036 1.00 0.00 C ATOM 530 C ARG A 34 -18.084 37.027 -12.185 1.00 0.00 C ATOM 531 O ARG A 34 -19.161 37.568 -12.433 1.00 0.00 O ATOM 532 CB ARG A 34 -16.430 38.821 -12.864 1.00 0.00 C ATOM 533 CG ARG A 34 -16.137 39.162 -11.394 1.00 0.00 C ATOM 534 CD ARG A 34 -15.246 40.398 -11.247 1.00 0.00 C ATOM 535 NE ARG A 34 -15.844 41.613 -11.838 1.00 0.00 N ATOM 536 CZ ARG A 34 -15.267 42.462 -12.672 1.00 0.00 C ATOM 537 NH1 ARG A 34 -14.097 42.260 -13.208 1.00 0.00 N ATOM 538 NH2 ARG A 34 -15.879 43.566 -12.995 1.00 0.00 N ATOM 0 H ARG A 34 -17.682 37.791 -14.903 1.00 0.00 H new ATOM 0 HA ARG A 34 -16.056 36.705 -12.684 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.542 39.013 -13.466 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.217 39.475 -13.239 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -17.077 39.331 -10.869 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.653 38.310 -10.916 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -15.049 40.574 -10.189 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.284 40.205 -11.722 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.807 41.820 -11.574 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.576 41.410 -12.990 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.702 42.951 -13.845 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.799 43.772 -12.605 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -15.438 44.224 -13.638 1.00 0.00 H new ATOM 552 N THR A 35 -17.913 36.169 -11.184 1.00 0.00 N ATOM 553 CA THR A 35 -18.961 35.744 -10.238 1.00 0.00 C ATOM 554 C THR A 35 -19.235 36.811 -9.178 1.00 0.00 C ATOM 555 O THR A 35 -18.555 37.836 -9.102 1.00 0.00 O ATOM 556 CB THR A 35 -18.613 34.437 -9.516 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.474 34.618 -8.729 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.379 33.276 -10.462 1.00 0.00 C ATOM 0 H THR A 35 -17.012 35.730 -10.995 1.00 0.00 H new ATOM 0 HA THR A 35 -19.849 35.587 -10.850 1.00 0.00 H new ATOM 0 HB THR A 35 -19.476 34.186 -8.899 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.701 34.788 -9.307 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.137 32.382 -9.888 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.280 33.098 -11.049 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.551 33.513 -11.131 1.00 0.00 H new ATOM 566 N ASP A 36 -20.200 36.547 -8.297 1.00 0.00 N ATOM 567 CA ASP A 36 -20.598 37.500 -7.263 1.00 0.00 C ATOM 568 C ASP A 36 -19.581 37.629 -6.111 1.00 0.00 C ATOM 569 O ASP A 36 -19.604 38.635 -5.399 1.00 0.00 O ATOM 570 CB ASP A 36 -22.001 37.134 -6.762 1.00 0.00 C ATOM 571 CG ASP A 36 -22.612 38.220 -5.857 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.880 39.341 -6.353 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.866 37.943 -4.660 1.00 0.00 O ATOM 0 H ASP A 36 -20.724 35.672 -8.280 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.619 38.492 -7.713 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.656 36.969 -7.617 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.952 36.194 -6.212 1.00 0.00 H new ATOM 578 N ASN A 37 -18.640 36.681 -5.961 1.00 0.00 N ATOM 579 CA ASN A 37 -17.530 36.843 -5.003 1.00 0.00 C ATOM 580 C ASN A 37 -16.303 37.556 -5.625 1.00 0.00 C ATOM 581 O ASN A 37 -15.266 37.692 -4.971 1.00 0.00 O ATOM 582 CB ASN A 37 -17.129 35.510 -4.361 1.00 0.00 C ATOM 583 CG ASN A 37 -18.251 34.549 -4.014 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.330 34.906 -3.560 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.994 33.277 -4.198 1.00 0.00 N ATOM 0 H ASN A 37 -18.624 35.805 -6.483 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.906 37.492 -4.213 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.443 35.000 -5.038 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.574 35.727 -3.448 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.696 32.576 -3.962 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.092 32.989 -4.577 1.00 0.00 H new ATOM 592 N GLY A 38 -16.386 37.961 -6.900 1.00 0.00 N ATOM 593 CA GLY A 38 -15.257 38.432 -7.712 1.00 0.00 C ATOM 594 C GLY A 38 -14.423 37.323 -8.351 1.00 0.00 C ATOM 595 O GLY A 38 -13.371 37.613 -8.919 1.00 0.00 O ATOM 0 H GLY A 38 -17.269 37.970 -7.410 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.640 39.080 -8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.606 39.042 -7.086 1.00 0.00 H new ATOM 599 N GLU A 39 -14.850 36.061 -8.257 1.00 0.00 N ATOM 600 CA GLU A 39 -14.105 34.929 -8.827 1.00 0.00 C ATOM 601 C GLU A 39 -14.291 34.937 -10.350 1.00 0.00 C ATOM 602 O GLU A 39 -15.421 34.842 -10.832 1.00 0.00 O ATOM 603 CB GLU A 39 -14.554 33.581 -8.223 1.00 0.00 C ATOM 604 CG GLU A 39 -14.919 33.657 -6.735 1.00 0.00 C ATOM 605 CD GLU A 39 -14.687 32.382 -5.905 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.713 31.627 -6.142 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.478 32.175 -4.952 1.00 0.00 O ATOM 0 H GLU A 39 -15.715 35.793 -7.788 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.049 35.042 -8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.416 33.214 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.755 32.851 -8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.345 34.467 -6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.971 33.929 -6.655 1.00 0.00 H new ATOM 614 N GLU A 40 -13.210 35.069 -11.113 1.00 0.00 N ATOM 615 CA GLU A 40 -13.255 35.139 -12.581 1.00 0.00 C ATOM 616 C GLU A 40 -12.844 33.809 -13.234 1.00 0.00 C ATOM 617 O GLU A 40 -11.795 33.242 -12.913 1.00 0.00 O ATOM 618 CB GLU A 40 -12.370 36.276 -13.115 1.00 0.00 C ATOM 619 CG GLU A 40 -12.740 37.659 -12.562 1.00 0.00 C ATOM 620 CD GLU A 40 -12.029 38.809 -13.303 1.00 0.00 C ATOM 621 OE1 GLU A 40 -10.905 38.612 -13.825 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.597 39.923 -13.372 1.00 0.00 O ATOM 0 H GLU A 40 -12.266 35.132 -10.732 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.291 35.344 -12.849 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.330 36.062 -12.867 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.440 36.299 -14.202 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.819 37.798 -12.635 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.484 37.702 -11.503 1.00 0.00 H new ATOM 629 N PHE A 41 -13.660 33.338 -14.182 1.00 0.00 N ATOM 630 CA PHE A 41 -13.463 32.095 -14.938 1.00 0.00 C ATOM 631 C PHE A 41 -13.598 32.312 -16.449 1.00 0.00 C ATOM 632 O PHE A 41 -14.152 33.313 -16.900 1.00 0.00 O ATOM 633 CB PHE A 41 -14.475 31.046 -14.470 1.00 0.00 C ATOM 634 CG PHE A 41 -14.316 30.638 -13.019 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.969 31.344 -11.988 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.473 29.558 -12.694 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.779 30.955 -10.657 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.275 29.182 -11.354 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.929 29.884 -10.331 1.00 0.00 C ATOM 0 H PHE A 41 -14.510 33.831 -14.455 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.448 31.747 -14.748 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.482 31.436 -14.618 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.381 30.160 -15.098 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.612 32.179 -12.224 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -12.974 29.013 -13.482 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.293 31.485 -9.869 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.622 28.356 -11.113 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.780 29.603 -9.299 1.00 0.00 H new ATOM 649 N GLU A 42 -13.111 31.358 -17.239 1.00 0.00 N ATOM 650 CA GLU A 42 -13.063 31.409 -18.696 1.00 0.00 C ATOM 651 C GLU A 42 -14.059 30.409 -19.291 1.00 0.00 C ATOM 652 O GLU A 42 -14.110 29.247 -18.871 1.00 0.00 O ATOM 653 CB GLU A 42 -11.642 31.118 -19.219 1.00 0.00 C ATOM 654 CG GLU A 42 -10.495 31.747 -18.405 1.00 0.00 C ATOM 655 CD GLU A 42 -9.866 30.738 -17.417 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.561 30.268 -16.484 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.663 30.410 -17.570 1.00 0.00 O ATOM 0 H GLU A 42 -12.723 30.492 -16.864 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.337 32.417 -19.008 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.497 30.038 -19.244 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.572 31.473 -20.247 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.727 32.115 -19.085 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.872 32.608 -17.853 1.00 0.00 H new ATOM 664 N VAL A 43 -14.827 30.843 -20.288 1.00 0.00 N ATOM 665 CA VAL A 43 -15.803 30.011 -21.007 1.00 0.00 C ATOM 666 C VAL A 43 -15.493 30.029 -22.515 1.00 0.00 C ATOM 667 O VAL A 43 -15.675 31.064 -23.164 1.00 0.00 O ATOM 668 CB VAL A 43 -17.250 30.452 -20.728 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.243 29.462 -21.349 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.556 30.562 -19.227 1.00 0.00 C ATOM 0 H VAL A 43 -14.791 31.803 -20.630 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.714 28.988 -20.641 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.358 31.440 -21.177 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.262 29.790 -21.142 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.088 29.419 -22.427 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.086 28.472 -20.920 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.590 30.877 -19.089 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.405 29.592 -18.753 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.890 31.295 -18.773 1.00 0.00 H new ATOM 680 N PRO A 44 -15.018 28.909 -23.092 1.00 0.00 N ATOM 681 CA PRO A 44 -14.819 28.762 -24.532 1.00 0.00 C ATOM 682 C PRO A 44 -16.142 28.463 -25.264 1.00 0.00 C ATOM 683 O PRO A 44 -16.832 27.485 -24.965 1.00 0.00 O ATOM 684 CB PRO A 44 -13.789 27.638 -24.685 1.00 0.00 C ATOM 685 CG PRO A 44 -13.997 26.772 -23.441 1.00 0.00 C ATOM 686 CD PRO A 44 -14.494 27.753 -22.377 1.00 0.00 C ATOM 0 HA PRO A 44 -14.460 29.684 -24.990 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.953 27.068 -25.600 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.773 28.031 -24.732 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.724 25.981 -23.624 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.070 26.288 -23.134 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.267 27.296 -21.759 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.683 28.045 -21.709 1.00 0.00 H new ATOM 694 N PHE A 45 -16.468 29.292 -26.257 1.00 0.00 N ATOM 695 CA PHE A 45 -17.634 29.166 -27.146 1.00 0.00 C ATOM 696 C PHE A 45 -17.226 28.815 -28.579 1.00 0.00 C ATOM 697 O PHE A 45 -16.286 29.393 -29.119 1.00 0.00 O ATOM 698 CB PHE A 45 -18.416 30.483 -27.162 1.00 0.00 C ATOM 699 CG PHE A 45 -19.238 30.739 -25.917 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.642 31.337 -24.791 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.605 30.401 -25.888 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.420 31.624 -23.659 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.377 30.674 -24.744 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.782 31.289 -23.629 1.00 0.00 C ATOM 0 H PHE A 45 -15.901 30.111 -26.477 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.253 28.357 -26.759 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.714 31.306 -27.294 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.079 30.487 -28.027 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.588 31.574 -24.798 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.062 29.931 -26.746 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.967 32.106 -22.805 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.424 30.412 -24.723 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.372 31.503 -22.750 1.00 0.00 H new ATOM 714 N ALA A 46 -17.978 27.943 -29.240 1.00 0.00 N ATOM 715 CA ALA A 46 -17.773 27.590 -30.649 1.00 0.00 C ATOM 716 C ALA A 46 -18.376 28.649 -31.591 1.00 0.00 C ATOM 717 O ALA A 46 -19.256 29.409 -31.194 1.00 0.00 O ATOM 718 CB ALA A 46 -18.363 26.195 -30.894 1.00 0.00 C ATOM 0 H ALA A 46 -18.761 27.451 -28.810 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.706 27.568 -30.870 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.219 25.917 -31.938 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.861 25.470 -30.253 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.429 26.205 -30.665 1.00 0.00 H new ATOM 724 N ASP A 47 -17.945 28.677 -32.854 1.00 0.00 N ATOM 725 CA ASP A 47 -18.434 29.609 -33.890 1.00 0.00 C ATOM 726 C ASP A 47 -19.950 29.490 -34.169 1.00 0.00 C ATOM 727 O ASP A 47 -20.577 30.423 -34.672 1.00 0.00 O ATOM 728 CB ASP A 47 -17.625 29.361 -35.171 1.00 0.00 C ATOM 729 CG ASP A 47 -17.962 30.355 -36.297 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.614 31.554 -36.171 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.534 29.931 -37.330 1.00 0.00 O ATOM 0 H ASP A 47 -17.228 28.039 -33.200 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.291 30.626 -33.524 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.562 29.428 -34.941 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.812 28.346 -35.522 1.00 0.00 H new ATOM 736 N ASP A 48 -20.559 28.359 -33.797 1.00 0.00 N ATOM 737 CA ASP A 48 -22.013 28.128 -33.848 1.00 0.00 C ATOM 738 C ASP A 48 -22.794 28.916 -32.769 1.00 0.00 C ATOM 739 O ASP A 48 -24.022 29.024 -32.840 1.00 0.00 O ATOM 740 CB ASP A 48 -22.251 26.618 -33.714 1.00 0.00 C ATOM 741 CG ASP A 48 -23.710 26.211 -33.989 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.189 26.402 -35.134 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.369 25.656 -33.076 1.00 0.00 O ATOM 0 H ASP A 48 -20.043 27.554 -33.442 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.393 28.498 -34.800 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.596 26.090 -34.407 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.975 26.300 -32.709 1.00 0.00 H new ATOM 748 N ALA A 49 -22.091 29.485 -31.782 1.00 0.00 N ATOM 749 CA ALA A 49 -22.632 30.256 -30.659 1.00 0.00 C ATOM 750 C ALA A 49 -22.013 31.667 -30.552 1.00 0.00 C ATOM 751 O ALA A 49 -20.918 31.930 -31.054 1.00 0.00 O ATOM 752 CB ALA A 49 -22.412 29.447 -29.374 1.00 0.00 C ATOM 0 H ALA A 49 -21.074 29.415 -31.745 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.697 30.419 -30.823 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.807 30.001 -28.523 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.927 28.490 -29.454 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.345 29.274 -29.231 1.00 0.00 H new ATOM 758 N GLU A 50 -22.704 32.576 -29.856 1.00 0.00 N ATOM 759 CA GLU A 50 -22.251 33.948 -29.569 1.00 0.00 C ATOM 760 C GLU A 50 -22.439 34.283 -28.083 1.00 0.00 C ATOM 761 O GLU A 50 -23.482 33.984 -27.500 1.00 0.00 O ATOM 762 CB GLU A 50 -23.006 34.967 -30.439 1.00 0.00 C ATOM 763 CG GLU A 50 -22.524 34.955 -31.895 1.00 0.00 C ATOM 764 CD GLU A 50 -23.358 35.858 -32.833 1.00 0.00 C ATOM 765 OE1 GLU A 50 -24.550 36.137 -32.554 1.00 0.00 O ATOM 766 OE2 GLU A 50 -22.829 36.261 -33.898 1.00 0.00 O ATOM 0 H GLU A 50 -23.623 32.374 -29.463 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.189 34.006 -29.808 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.073 34.747 -30.410 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.875 35.966 -30.023 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.483 35.277 -31.927 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.553 33.932 -32.270 1.00 0.00 H new ATOM 773 N ILE A 51 -21.429 34.930 -27.498 1.00 0.00 N ATOM 774 CA ILE A 51 -21.260 35.219 -26.063 1.00 0.00 C ATOM 775 C ILE A 51 -22.470 35.973 -25.491 1.00 0.00 C ATOM 776 O ILE A 51 -22.666 37.148 -25.804 1.00 0.00 O ATOM 777 CB ILE A 51 -19.978 36.049 -25.800 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.759 35.591 -26.630 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.628 36.061 -24.299 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.322 34.139 -26.430 1.00 0.00 C ATOM 0 H ILE A 51 -20.651 35.293 -28.048 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.173 34.255 -25.562 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.211 37.062 -26.128 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -18.986 35.740 -27.686 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.916 36.240 -26.391 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.725 36.650 -24.141 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.451 36.502 -23.737 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.460 35.040 -23.956 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.459 33.928 -27.062 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.055 33.980 -25.385 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.141 33.472 -26.700 1.00 0.00 H new ATOM 792 N PRO A 52 -23.281 35.333 -24.640 1.00 0.00 N ATOM 793 CA PRO A 52 -24.333 35.999 -23.889 1.00 0.00 C ATOM 794 C PRO A 52 -23.737 36.888 -22.789 1.00 0.00 C ATOM 795 O PRO A 52 -22.682 36.577 -22.228 1.00 0.00 O ATOM 796 CB PRO A 52 -25.198 34.867 -23.340 1.00 0.00 C ATOM 797 CG PRO A 52 -24.226 33.699 -23.197 1.00 0.00 C ATOM 798 CD PRO A 52 -23.184 33.931 -24.286 1.00 0.00 C ATOM 0 HA PRO A 52 -24.929 36.677 -24.501 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.645 35.134 -22.383 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.017 34.625 -24.018 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.769 33.683 -22.208 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.732 32.743 -23.330 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.184 33.688 -23.927 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.376 33.296 -25.151 1.00 0.00 H new ATOM 806 N GLY A 53 -24.428 37.983 -22.458 1.00 0.00 N ATOM 807 CA GLY A 53 -24.031 38.973 -21.444 1.00 0.00 C ATOM 808 C GLY A 53 -23.625 38.392 -20.080 1.00 0.00 C ATOM 809 O GLY A 53 -22.774 38.963 -19.394 1.00 0.00 O ATOM 0 H GLY A 53 -25.315 38.216 -22.905 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.196 39.554 -21.835 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.859 39.666 -21.293 1.00 0.00 H new ATOM 813 N THR A 54 -24.193 37.247 -19.686 1.00 0.00 N ATOM 814 CA THR A 54 -23.761 36.476 -18.514 1.00 0.00 C ATOM 815 C THR A 54 -23.781 34.956 -18.774 1.00 0.00 C ATOM 816 O THR A 54 -24.455 34.482 -19.694 1.00 0.00 O ATOM 817 CB THR A 54 -24.671 36.757 -17.298 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.011 36.398 -17.584 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.752 38.228 -16.898 1.00 0.00 C ATOM 0 H THR A 54 -24.978 36.823 -20.180 1.00 0.00 H new ATOM 0 HA THR A 54 -22.739 36.794 -18.309 1.00 0.00 H new ATOM 0 HB THR A 54 -24.219 36.174 -16.496 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.573 36.581 -16.802 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.411 38.335 -16.037 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.757 38.590 -16.641 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.146 38.810 -17.731 1.00 0.00 H new ATOM 827 N TRP A 55 -23.039 34.181 -17.971 1.00 0.00 N ATOM 828 CA TRP A 55 -22.910 32.718 -18.074 1.00 0.00 C ATOM 829 C TRP A 55 -22.485 32.078 -16.738 1.00 0.00 C ATOM 830 O TRP A 55 -21.748 32.681 -15.956 1.00 0.00 O ATOM 831 CB TRP A 55 -21.887 32.373 -19.163 1.00 0.00 C ATOM 832 CG TRP A 55 -21.838 30.933 -19.566 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.024 30.000 -19.033 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.612 30.237 -20.590 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.204 28.794 -19.676 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.183 28.877 -20.642 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.623 30.627 -21.490 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.728 27.952 -21.547 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.185 29.709 -22.398 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.739 28.374 -22.429 1.00 0.00 C ATOM 0 H TRP A 55 -22.491 34.569 -17.203 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.888 32.314 -18.333 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.106 32.972 -20.047 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.897 32.669 -18.815 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.332 30.172 -18.221 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.678 27.946 -19.463 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.973 31.649 -21.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.376 26.931 -21.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.963 30.031 -23.075 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.173 27.675 -23.129 1.00 0.00 H new ATOM 851 N LEU A 56 -22.926 30.848 -16.456 1.00 0.00 N ATOM 852 CA LEU A 56 -22.595 30.124 -15.222 1.00 0.00 C ATOM 853 C LEU A 56 -21.106 29.725 -15.176 1.00 0.00 C ATOM 854 O LEU A 56 -20.599 29.040 -16.065 1.00 0.00 O ATOM 855 CB LEU A 56 -23.525 28.904 -15.082 1.00 0.00 C ATOM 856 CG LEU A 56 -24.152 28.749 -13.687 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.221 27.658 -13.713 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.118 28.357 -12.634 1.00 0.00 C ATOM 0 H LEU A 56 -23.530 30.320 -17.085 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.756 30.784 -14.370 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.323 28.982 -15.820 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.961 28.002 -15.317 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.580 29.717 -13.426 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.660 27.555 -12.721 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.999 27.928 -14.428 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.768 26.712 -14.009 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.606 28.259 -11.664 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.661 27.406 -12.909 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.348 29.126 -12.576 1.00 0.00 H new ATOM 870 N CYS A 57 -20.410 30.141 -14.121 1.00 0.00 N ATOM 871 CA CYS A 57 -18.982 29.895 -13.917 1.00 0.00 C ATOM 872 C CYS A 57 -18.705 28.593 -13.158 1.00 0.00 C ATOM 873 O CYS A 57 -19.583 28.022 -12.506 1.00 0.00 O ATOM 874 CB CYS A 57 -18.373 31.088 -13.177 1.00 0.00 C ATOM 875 SG CYS A 57 -18.279 32.498 -14.297 1.00 0.00 S ATOM 0 H CYS A 57 -20.835 30.674 -13.362 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.518 29.781 -14.897 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.980 31.340 -12.307 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.379 30.834 -12.809 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.764 33.515 -13.672 1.00 0.00 H new ATOM 881 N ARG A 58 -17.438 28.160 -13.179 1.00 0.00 N ATOM 882 CA ARG A 58 -16.988 26.882 -12.596 1.00 0.00 C ATOM 883 C ARG A 58 -17.072 26.839 -11.059 1.00 0.00 C ATOM 884 O ARG A 58 -17.096 25.757 -10.477 1.00 0.00 O ATOM 885 CB ARG A 58 -15.567 26.536 -13.091 1.00 0.00 C ATOM 886 CG ARG A 58 -15.349 26.753 -14.602 1.00 0.00 C ATOM 887 CD ARG A 58 -13.944 26.326 -15.042 1.00 0.00 C ATOM 888 NE ARG A 58 -13.631 26.820 -16.400 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.565 26.525 -17.122 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.654 25.686 -16.712 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.397 27.078 -18.287 1.00 0.00 N ATOM 0 H ARG A 58 -16.682 28.694 -13.608 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.684 26.120 -12.946 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.846 27.142 -12.542 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.356 25.494 -12.852 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.093 26.186 -15.162 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.502 27.805 -14.844 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.208 26.709 -14.335 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.870 25.239 -15.022 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.308 27.454 -16.823 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.751 25.231 -15.804 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.845 25.485 -17.299 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.088 27.739 -18.642 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.574 26.851 -18.845 1.00 0.00 H new ATOM 905 N ASN A 59 -17.184 28.005 -10.411 1.00 0.00 N ATOM 906 CA ASN A 59 -17.487 28.151 -8.978 1.00 0.00 C ATOM 907 C ASN A 59 -18.935 27.735 -8.611 1.00 0.00 C ATOM 908 O ASN A 59 -19.249 27.489 -7.445 1.00 0.00 O ATOM 909 CB ASN A 59 -17.216 29.621 -8.615 1.00 0.00 C ATOM 910 CG ASN A 59 -17.458 30.027 -7.168 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.270 29.271 -6.226 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.830 31.270 -6.950 1.00 0.00 N ATOM 0 H ASN A 59 -17.063 28.902 -10.882 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.853 27.476 -8.403 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.178 29.846 -8.862 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.839 30.249 -9.253 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.962 31.603 -5.995 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.987 31.901 -7.736 1.00 0.00 H new ATOM 919 N GLY A 60 -19.825 27.641 -9.602 1.00 0.00 N ATOM 920 CA GLY A 60 -21.255 27.357 -9.429 1.00 0.00 C ATOM 921 C GLY A 60 -22.121 28.612 -9.251 1.00 0.00 C ATOM 922 O GLY A 60 -23.263 28.501 -8.800 1.00 0.00 O ATOM 0 H GLY A 60 -19.563 27.764 -10.580 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.612 26.801 -10.296 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.385 26.712 -8.560 1.00 0.00 H new ATOM 926 N MET A 61 -21.595 29.797 -9.596 1.00 0.00 N ATOM 927 CA MET A 61 -22.306 31.079 -9.559 1.00 0.00 C ATOM 928 C MET A 61 -22.440 31.685 -10.963 1.00 0.00 C ATOM 929 O MET A 61 -21.569 31.499 -11.815 1.00 0.00 O ATOM 930 CB MET A 61 -21.585 32.024 -8.580 1.00 0.00 C ATOM 931 CG MET A 61 -22.404 33.271 -8.213 1.00 0.00 C ATOM 932 SD MET A 61 -24.069 32.942 -7.565 1.00 0.00 S ATOM 933 CE MET A 61 -24.677 34.637 -7.360 1.00 0.00 C ATOM 0 H MET A 61 -20.632 29.890 -9.919 1.00 0.00 H new ATOM 0 HA MET A 61 -23.324 30.921 -9.202 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.345 31.476 -7.669 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.639 32.338 -9.021 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.849 33.844 -7.470 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.494 33.900 -9.099 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.712 34.614 -7.018 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.063 35.157 -6.624 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.622 35.161 -8.314 1.00 0.00 H new ATOM 943 N GLU A 62 -23.514 32.434 -11.212 1.00 0.00 N ATOM 944 CA GLU A 62 -23.715 33.175 -12.462 1.00 0.00 C ATOM 945 C GLU A 62 -22.681 34.307 -12.591 1.00 0.00 C ATOM 946 O GLU A 62 -22.702 35.283 -11.837 1.00 0.00 O ATOM 947 CB GLU A 62 -25.162 33.682 -12.555 1.00 0.00 C ATOM 948 CG GLU A 62 -25.465 34.280 -13.936 1.00 0.00 C ATOM 949 CD GLU A 62 -26.943 34.700 -14.043 1.00 0.00 C ATOM 950 OE1 GLU A 62 -27.804 33.834 -14.340 1.00 0.00 O ATOM 951 OE2 GLU A 62 -27.258 35.897 -13.833 1.00 0.00 O ATOM 0 H GLU A 62 -24.278 32.546 -10.546 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.556 32.505 -13.307 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.849 32.860 -12.355 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.334 34.435 -11.786 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.824 35.144 -14.111 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.234 33.550 -14.711 1.00 0.00 H new ATOM 958 N GLY A 63 -21.747 34.147 -13.528 1.00 0.00 N ATOM 959 CA GLY A 63 -20.730 35.136 -13.863 1.00 0.00 C ATOM 960 C GLY A 63 -21.206 36.151 -14.904 1.00 0.00 C ATOM 961 O GLY A 63 -21.992 35.812 -15.789 1.00 0.00 O ATOM 0 H GLY A 63 -21.677 33.299 -14.090 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.432 35.665 -12.957 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.844 34.625 -14.240 1.00 0.00 H new ATOM 965 N THR A 64 -20.681 37.378 -14.858 1.00 0.00 N ATOM 966 CA THR A 64 -20.956 38.428 -15.859 1.00 0.00 C ATOM 967 C THR A 64 -19.747 38.702 -16.750 1.00 0.00 C ATOM 968 O THR A 64 -18.616 38.750 -16.268 1.00 0.00 O ATOM 969 CB THR A 64 -21.428 39.732 -15.196 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.567 39.490 -14.394 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.819 40.816 -16.207 1.00 0.00 C ATOM 0 H THR A 64 -20.046 37.680 -14.119 1.00 0.00 H new ATOM 0 HA THR A 64 -21.760 38.048 -16.489 1.00 0.00 H new ATOM 0 HB THR A 64 -20.581 40.083 -14.607 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.857 40.328 -13.976 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.143 41.710 -15.675 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.960 41.057 -16.832 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.633 40.452 -16.834 1.00 0.00 H new ATOM 979 N LEU A 65 -19.992 38.865 -18.054 1.00 0.00 N ATOM 980 CA LEU A 65 -18.992 38.926 -19.125 1.00 0.00 C ATOM 981 C LEU A 65 -18.003 40.094 -18.928 1.00 0.00 C ATOM 982 O LEU A 65 -18.402 41.261 -18.901 1.00 0.00 O ATOM 983 CB LEU A 65 -19.784 39.013 -20.449 1.00 0.00 C ATOM 984 CG LEU A 65 -19.060 38.830 -21.798 1.00 0.00 C ATOM 985 CD1 LEU A 65 -20.040 39.215 -22.913 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.796 39.660 -22.014 1.00 0.00 C ATOM 0 H LEU A 65 -20.943 38.963 -18.410 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.357 38.040 -19.126 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.575 38.265 -20.402 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.269 39.989 -20.472 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.739 37.788 -21.805 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.554 39.095 -23.882 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.918 38.570 -22.865 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.346 40.254 -22.786 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.381 39.442 -22.998 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.042 40.720 -21.951 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.062 39.411 -21.248 1.00 0.00 H new