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 Single : A 29 GLN : amide:sc= 0.737 K(o=0.74,f=0) USER MOD Single : A 33 TYR OH : rot -163:sc= 0.476 USER MOD Single : A 35 THR OG1 : rot -68:sc= 0.278 USER MOD Single : A 37 ASN : amide:sc= 0.786 K(o=0.79,f=-0.12) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.57 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 61 MET CE :methyl 177:sc= 0 (180deg=-0.00952) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.211 31.081 -29.497 1.00 0.00 N ATOM 438 CA GLN A 29 -14.168 32.343 -28.756 1.00 0.00 C ATOM 439 C GLN A 29 -14.089 32.038 -27.258 1.00 0.00 C ATOM 440 O GLN A 29 -15.022 31.501 -26.669 1.00 0.00 O ATOM 441 CB GLN A 29 -15.431 33.191 -29.014 1.00 0.00 C ATOM 442 CG GLN A 29 -15.755 33.469 -30.492 1.00 0.00 C ATOM 443 CD GLN A 29 -17.116 32.906 -30.886 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.984 33.592 -31.408 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.340 31.634 -30.642 1.00 0.00 N ATOM 0 HA GLN A 29 -13.295 32.904 -29.091 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.285 32.685 -28.562 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.317 34.145 -28.500 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.740 34.544 -30.672 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.983 33.029 -31.123 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.616 31.063 -30.207 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.238 31.218 -30.888 1.00 0.00 H new ATOM 454 N ILE A 30 -12.976 32.385 -26.629 1.00 0.00 N ATOM 455 CA ILE A 30 -12.791 32.282 -25.178 1.00 0.00 C ATOM 456 C ILE A 30 -13.213 33.605 -24.527 1.00 0.00 C ATOM 457 O ILE A 30 -12.456 34.580 -24.560 1.00 0.00 O ATOM 458 CB ILE A 30 -11.338 31.896 -24.818 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.742 30.755 -25.674 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.296 31.550 -23.320 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.553 29.459 -25.718 1.00 0.00 C ATOM 0 H ILE A 30 -12.158 32.753 -27.115 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.421 31.482 -24.789 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.704 32.754 -25.043 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.619 31.119 -26.694 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.746 30.525 -25.295 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.280 31.273 -23.039 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.611 32.416 -22.738 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.968 30.715 -23.120 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.041 28.731 -26.347 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.655 29.059 -24.709 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.542 29.662 -26.130 1.00 0.00 H new ATOM 473 N ALA A 31 -14.411 33.641 -23.939 1.00 0.00 N ATOM 474 CA ALA A 31 -14.925 34.801 -23.212 1.00 0.00 C ATOM 475 C ALA A 31 -14.818 34.610 -21.695 1.00 0.00 C ATOM 476 O ALA A 31 -14.990 33.504 -21.186 1.00 0.00 O ATOM 477 CB ALA A 31 -16.361 35.088 -23.644 1.00 0.00 C ATOM 0 H ALA A 31 -15.059 32.854 -23.955 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.310 35.666 -23.460 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.739 35.953 -23.099 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.385 35.294 -24.714 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.986 34.222 -23.428 1.00 0.00 H new ATOM 483 N ARG A 32 -14.552 35.686 -20.957 1.00 0.00 N ATOM 484 CA ARG A 32 -14.411 35.670 -19.491 1.00 0.00 C ATOM 485 C ARG A 32 -15.661 36.172 -18.784 1.00 0.00 C ATOM 486 O ARG A 32 -16.380 37.022 -19.309 1.00 0.00 O ATOM 487 CB ARG A 32 -13.147 36.445 -19.089 1.00 0.00 C ATOM 488 CG ARG A 32 -11.915 35.543 -19.272 1.00 0.00 C ATOM 489 CD ARG A 32 -10.650 36.335 -19.651 1.00 0.00 C ATOM 490 NE ARG A 32 -9.810 35.570 -20.594 1.00 0.00 N ATOM 491 CZ ARG A 32 -10.083 35.349 -21.871 1.00 0.00 C ATOM 492 NH1 ARG A 32 -11.036 35.967 -22.506 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.402 34.470 -22.548 1.00 0.00 N ATOM 0 H ARG A 32 -14.425 36.613 -21.363 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.295 34.637 -19.162 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -13.048 37.343 -19.699 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.222 36.771 -18.052 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.732 34.994 -18.349 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.122 34.805 -20.047 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.933 37.287 -20.100 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.078 36.565 -18.752 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.942 35.177 -20.230 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.610 36.655 -22.019 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.209 35.763 -23.490 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.653 33.946 -22.095 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.618 34.305 -23.531 1.00 0.00 H new ATOM 507 N TYR A 33 -15.890 35.672 -17.567 1.00 0.00 N ATOM 508 CA TYR A 33 -17.001 36.083 -16.706 1.00 0.00 C ATOM 509 C TYR A 33 -16.587 36.114 -15.225 1.00 0.00 C ATOM 510 O TYR A 33 -15.828 35.254 -14.772 1.00 0.00 O ATOM 511 CB TYR A 33 -18.195 35.142 -16.884 1.00 0.00 C ATOM 512 CG TYR A 33 -18.799 35.064 -18.267 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.204 34.277 -19.272 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.994 35.749 -18.530 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.831 34.148 -20.525 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.614 35.634 -19.783 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.061 34.796 -20.766 1.00 0.00 C ATOM 518 OH TYR A 33 -20.747 34.579 -21.913 1.00 0.00 O ATOM 0 H TYR A 33 -15.297 34.957 -17.145 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.287 37.092 -17.004 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.884 34.139 -16.592 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.976 35.449 -16.189 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.268 33.773 -19.081 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.439 36.368 -17.765 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.372 33.554 -21.301 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.516 36.189 -19.992 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.413 35.287 -22.035 1.00 0.00 H new ATOM 528 N ARG A 34 -17.097 37.093 -14.466 1.00 0.00 N ATOM 529 CA ARG A 34 -16.819 37.318 -13.039 1.00 0.00 C ATOM 530 C ARG A 34 -18.031 36.988 -12.174 1.00 0.00 C ATOM 531 O ARG A 34 -19.115 37.522 -12.409 1.00 0.00 O ATOM 532 CB ARG A 34 -16.351 38.770 -12.839 1.00 0.00 C ATOM 533 CG ARG A 34 -16.000 39.050 -11.367 1.00 0.00 C ATOM 534 CD ARG A 34 -15.050 40.237 -11.210 1.00 0.00 C ATOM 535 NE ARG A 34 -15.629 41.508 -11.685 1.00 0.00 N ATOM 536 CZ ARG A 34 -15.062 42.393 -12.489 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.925 42.194 -13.094 1.00 0.00 N ATOM 538 NH2 ARG A 34 -15.654 43.533 -12.713 1.00 0.00 N ATOM 0 H ARG A 34 -17.745 37.783 -14.847 1.00 0.00 H new ATOM 0 HA ARG A 34 -16.023 36.645 -12.719 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.480 38.962 -13.465 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.135 39.454 -13.164 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.916 39.245 -10.809 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.543 38.162 -10.930 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.776 40.339 -10.160 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.131 40.035 -11.761 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.570 41.729 -11.358 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.422 41.317 -12.959 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.538 42.915 -13.703 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.549 43.739 -12.269 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -15.222 44.219 -13.332 1.00 0.00 H new ATOM 552 N THR A 35 -17.838 36.131 -11.177 1.00 0.00 N ATOM 553 CA THR A 35 -18.874 35.706 -10.216 1.00 0.00 C ATOM 554 C THR A 35 -19.130 36.786 -9.161 1.00 0.00 C ATOM 555 O THR A 35 -18.439 37.805 -9.095 1.00 0.00 O ATOM 556 CB THR A 35 -18.526 34.380 -9.520 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.355 34.524 -8.775 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.351 33.231 -10.501 1.00 0.00 C ATOM 0 H THR A 35 -16.933 35.695 -11.002 1.00 0.00 H new ATOM 0 HA THR A 35 -19.781 35.550 -10.800 1.00 0.00 H new ATOM 0 HB THR A 35 -19.366 34.137 -8.869 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.595 34.646 -9.381 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.106 32.320 -9.955 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.277 33.083 -11.057 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.544 33.465 -11.195 1.00 0.00 H new ATOM 566 N ASP A 36 -20.103 36.549 -8.281 1.00 0.00 N ATOM 567 CA ASP A 36 -20.485 37.512 -7.239 1.00 0.00 C ATOM 568 C ASP A 36 -19.517 37.496 -6.038 1.00 0.00 C ATOM 569 O ASP A 36 -19.523 38.402 -5.203 1.00 0.00 O ATOM 570 CB ASP A 36 -21.938 37.236 -6.824 1.00 0.00 C ATOM 571 CG ASP A 36 -22.507 38.319 -5.890 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.642 39.487 -6.328 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.860 37.998 -4.730 1.00 0.00 O ATOM 0 H ASP A 36 -20.649 35.688 -8.267 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.415 38.521 -7.644 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.560 37.169 -7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.991 36.268 -6.326 1.00 0.00 H new ATOM 578 N ASN A 37 -18.641 36.487 -5.983 1.00 0.00 N ATOM 579 CA ASN A 37 -17.578 36.324 -4.998 1.00 0.00 C ATOM 580 C ASN A 37 -16.220 36.861 -5.530 1.00 0.00 C ATOM 581 O ASN A 37 -15.166 36.615 -4.942 1.00 0.00 O ATOM 582 CB ASN A 37 -17.620 34.838 -4.612 1.00 0.00 C ATOM 583 CG ASN A 37 -16.706 34.454 -3.466 1.00 0.00 C ATOM 584 OD1 ASN A 37 -16.629 35.112 -2.436 1.00 0.00 O ATOM 585 ND2 ASN A 37 -16.036 33.335 -3.588 1.00 0.00 N ATOM 0 H ASN A 37 -18.659 35.725 -6.661 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.716 36.923 -4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -18.644 34.575 -4.346 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.355 34.242 -5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -15.446 33.008 -2.823 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.104 32.791 -4.448 1.00 0.00 H new ATOM 592 N GLY A 38 -16.245 37.588 -6.660 1.00 0.00 N ATOM 593 CA GLY A 38 -15.080 38.163 -7.354 1.00 0.00 C ATOM 594 C GLY A 38 -14.329 37.194 -8.261 1.00 0.00 C ATOM 595 O GLY A 38 -13.305 37.561 -8.835 1.00 0.00 O ATOM 0 H GLY A 38 -17.121 37.801 -7.137 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.414 39.012 -7.951 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.386 38.551 -6.608 1.00 0.00 H new ATOM 599 N GLU A 39 -14.798 35.954 -8.365 1.00 0.00 N ATOM 600 CA GLU A 39 -14.043 34.863 -8.978 1.00 0.00 C ATOM 601 C GLU A 39 -14.234 34.876 -10.492 1.00 0.00 C ATOM 602 O GLU A 39 -15.359 34.763 -10.980 1.00 0.00 O ATOM 603 CB GLU A 39 -14.413 33.500 -8.370 1.00 0.00 C ATOM 604 CG GLU A 39 -14.685 33.555 -6.863 1.00 0.00 C ATOM 605 CD GLU A 39 -14.252 32.257 -6.158 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.044 31.917 -6.172 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.115 31.599 -5.535 1.00 0.00 O ATOM 0 H GLU A 39 -15.718 35.675 -8.025 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.986 35.021 -8.766 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.297 33.113 -8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.603 32.795 -8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.152 34.401 -6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.748 33.725 -6.691 1.00 0.00 H new ATOM 614 N GLU A 40 -13.146 35.024 -11.235 1.00 0.00 N ATOM 615 CA GLU A 40 -13.174 35.160 -12.696 1.00 0.00 C ATOM 616 C GLU A 40 -12.776 33.847 -13.389 1.00 0.00 C ATOM 617 O GLU A 40 -11.724 33.268 -13.102 1.00 0.00 O ATOM 618 CB GLU A 40 -12.248 36.301 -13.151 1.00 0.00 C ATOM 619 CG GLU A 40 -12.637 37.647 -12.529 1.00 0.00 C ATOM 620 CD GLU A 40 -11.787 38.818 -13.064 1.00 0.00 C ATOM 621 OE1 GLU A 40 -10.541 38.691 -13.162 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.361 39.896 -13.352 1.00 0.00 O ATOM 0 H GLU A 40 -12.205 35.054 -10.842 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.197 35.399 -12.985 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.220 36.062 -12.880 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.281 36.382 -14.237 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.690 37.845 -12.731 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.526 37.588 -11.446 1.00 0.00 H new ATOM 629 N PHE A 41 -13.622 33.395 -14.319 1.00 0.00 N ATOM 630 CA PHE A 41 -13.455 32.167 -15.100 1.00 0.00 C ATOM 631 C PHE A 41 -13.538 32.437 -16.607 1.00 0.00 C ATOM 632 O PHE A 41 -14.042 33.474 -17.043 1.00 0.00 O ATOM 633 CB PHE A 41 -14.512 31.135 -14.676 1.00 0.00 C ATOM 634 CG PHE A 41 -14.376 30.652 -13.243 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.973 31.357 -12.179 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.630 29.489 -12.965 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.804 30.907 -10.864 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.444 29.056 -11.642 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.029 29.770 -10.586 1.00 0.00 C ATOM 0 H PHE A 41 -14.478 33.896 -14.558 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.461 31.769 -14.898 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.502 31.572 -14.807 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.452 30.276 -15.344 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.559 32.242 -12.377 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.197 28.925 -13.778 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.276 31.442 -10.053 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.852 28.176 -11.438 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.884 29.447 -9.566 1.00 0.00 H new ATOM 649 N GLU A 42 -13.068 31.481 -17.408 1.00 0.00 N ATOM 650 CA GLU A 42 -13.100 31.514 -18.867 1.00 0.00 C ATOM 651 C GLU A 42 -14.080 30.459 -19.396 1.00 0.00 C ATOM 652 O GLU A 42 -14.037 29.292 -18.994 1.00 0.00 O ATOM 653 CB GLU A 42 -11.703 31.292 -19.478 1.00 0.00 C ATOM 654 CG GLU A 42 -10.542 32.050 -18.812 1.00 0.00 C ATOM 655 CD GLU A 42 -9.768 31.163 -17.816 1.00 0.00 C ATOM 656 OE1 GLU A 42 -8.804 30.475 -18.236 1.00 0.00 O ATOM 657 OE2 GLU A 42 -10.104 31.148 -16.607 1.00 0.00 O ATOM 0 H GLU A 42 -12.639 30.631 -17.043 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.437 32.506 -19.167 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.480 30.226 -19.444 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.740 31.577 -20.529 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.859 32.414 -19.580 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.932 32.925 -18.291 1.00 0.00 H new ATOM 664 N VAL A 43 -14.946 30.868 -20.319 1.00 0.00 N ATOM 665 CA VAL A 43 -15.953 30.036 -20.983 1.00 0.00 C ATOM 666 C VAL A 43 -15.635 29.940 -22.485 1.00 0.00 C ATOM 667 O VAL A 43 -15.742 30.944 -23.195 1.00 0.00 O ATOM 668 CB VAL A 43 -17.379 30.566 -20.751 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.409 29.613 -21.367 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.708 30.736 -19.261 1.00 0.00 C ATOM 0 H VAL A 43 -14.968 31.835 -20.642 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.915 29.038 -20.546 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.425 31.545 -21.229 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.413 30.001 -21.195 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.231 29.529 -22.439 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.316 28.630 -20.906 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.725 31.112 -19.154 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.622 29.773 -18.757 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -17.010 31.443 -18.813 1.00 0.00 H new ATOM 680 N PRO A 44 -15.208 28.769 -22.993 1.00 0.00 N ATOM 681 CA PRO A 44 -15.029 28.536 -24.424 1.00 0.00 C ATOM 682 C PRO A 44 -16.382 28.432 -25.153 1.00 0.00 C ATOM 683 O PRO A 44 -17.253 27.644 -24.774 1.00 0.00 O ATOM 684 CB PRO A 44 -14.222 27.235 -24.523 1.00 0.00 C ATOM 685 CG PRO A 44 -14.579 26.476 -23.245 1.00 0.00 C ATOM 686 CD PRO A 44 -14.852 27.583 -22.226 1.00 0.00 C ATOM 0 HA PRO A 44 -14.509 29.363 -24.907 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.491 26.666 -25.413 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.152 27.433 -24.583 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.453 25.840 -23.388 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.763 25.829 -22.923 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.660 27.300 -21.552 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.973 27.769 -21.609 1.00 0.00 H new ATOM 694 N PHE A 45 -16.534 29.193 -26.238 1.00 0.00 N ATOM 695 CA PHE A 45 -17.685 29.171 -27.160 1.00 0.00 C ATOM 696 C PHE A 45 -17.243 28.812 -28.583 1.00 0.00 C ATOM 697 O PHE A 45 -16.210 29.283 -29.045 1.00 0.00 O ATOM 698 CB PHE A 45 -18.376 30.541 -27.172 1.00 0.00 C ATOM 699 CG PHE A 45 -19.242 30.827 -25.960 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.673 31.399 -24.807 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.628 30.581 -26.000 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.483 31.722 -23.708 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.435 30.896 -24.891 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.860 31.452 -23.735 1.00 0.00 C ATOM 0 H PHE A 45 -15.829 29.875 -26.516 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.383 28.411 -26.809 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.613 31.316 -27.247 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -18.993 30.613 -28.067 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.611 31.590 -24.768 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.073 30.149 -26.884 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.044 32.182 -22.835 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.498 30.710 -24.928 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.474 31.670 -22.873 1.00 0.00 H new ATOM 714 N ALA A 46 -18.039 28.047 -29.324 1.00 0.00 N ATOM 715 CA ALA A 46 -17.761 27.694 -30.720 1.00 0.00 C ATOM 716 C ALA A 46 -18.259 28.783 -31.686 1.00 0.00 C ATOM 717 O ALA A 46 -19.149 29.561 -31.343 1.00 0.00 O ATOM 718 CB ALA A 46 -18.395 26.329 -31.016 1.00 0.00 C ATOM 0 H ALA A 46 -18.908 27.647 -28.970 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.684 27.626 -30.872 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.197 26.053 -32.052 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.968 25.578 -30.352 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.472 26.385 -30.855 1.00 0.00 H new ATOM 724 N ASP A 47 -17.729 28.831 -32.910 1.00 0.00 N ATOM 725 CA ASP A 47 -18.146 29.789 -33.954 1.00 0.00 C ATOM 726 C ASP A 47 -19.636 29.657 -34.360 1.00 0.00 C ATOM 727 O ASP A 47 -20.232 30.600 -34.883 1.00 0.00 O ATOM 728 CB ASP A 47 -17.223 29.612 -35.167 1.00 0.00 C ATOM 729 CG ASP A 47 -17.492 30.640 -36.279 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.185 31.841 -36.082 1.00 0.00 O ATOM 731 OD2 ASP A 47 -17.972 30.245 -37.369 1.00 0.00 O ATOM 0 H ASP A 47 -16.988 28.200 -33.215 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.054 30.795 -33.545 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.186 29.697 -34.843 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.349 28.607 -35.570 1.00 0.00 H new ATOM 736 N ASP A 48 -20.260 28.507 -34.078 1.00 0.00 N ATOM 737 CA ASP A 48 -21.706 28.273 -34.237 1.00 0.00 C ATOM 738 C ASP A 48 -22.567 28.979 -33.158 1.00 0.00 C ATOM 739 O ASP A 48 -23.785 29.103 -33.308 1.00 0.00 O ATOM 740 CB ASP A 48 -21.939 26.755 -34.224 1.00 0.00 C ATOM 741 CG ASP A 48 -23.379 26.365 -34.601 1.00 0.00 C ATOM 742 OD1 ASP A 48 -23.798 26.624 -35.756 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.084 25.752 -33.762 1.00 0.00 O ATOM 0 H ASP A 48 -19.763 27.690 -33.723 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.026 28.709 -35.183 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.246 26.281 -34.919 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.711 26.366 -33.231 1.00 0.00 H new ATOM 748 N ALA A 49 -21.935 29.455 -32.080 1.00 0.00 N ATOM 749 CA ALA A 49 -22.538 30.127 -30.928 1.00 0.00 C ATOM 750 C ALA A 49 -22.094 31.604 -30.801 1.00 0.00 C ATOM 751 O ALA A 49 -21.246 32.096 -31.547 1.00 0.00 O ATOM 752 CB ALA A 49 -22.187 29.310 -29.673 1.00 0.00 C ATOM 0 H ALA A 49 -20.923 29.375 -31.984 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.619 30.169 -31.057 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.623 29.786 -28.795 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.585 28.300 -29.773 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.104 29.264 -29.560 1.00 0.00 H new ATOM 758 N GLU A 50 -22.669 32.312 -29.826 1.00 0.00 N ATOM 759 CA GLU A 50 -22.319 33.686 -29.433 1.00 0.00 C ATOM 760 C GLU A 50 -22.192 33.821 -27.903 1.00 0.00 C ATOM 761 O GLU A 50 -22.612 32.928 -27.166 1.00 0.00 O ATOM 762 CB GLU A 50 -23.351 34.668 -30.018 1.00 0.00 C ATOM 763 CG GLU A 50 -24.758 34.545 -29.409 1.00 0.00 C ATOM 764 CD GLU A 50 -25.741 35.508 -30.102 1.00 0.00 C ATOM 765 OE1 GLU A 50 -25.831 36.692 -29.693 1.00 0.00 O ATOM 766 OE2 GLU A 50 -26.438 35.089 -31.059 1.00 0.00 O ATOM 0 H GLU A 50 -23.427 31.929 -29.261 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.340 33.933 -29.843 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.991 35.686 -29.869 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.418 34.508 -31.094 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -25.114 33.520 -29.510 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.718 34.765 -28.342 1.00 0.00 H new ATOM 773 N ILE A 51 -21.626 34.937 -27.427 1.00 0.00 N ATOM 774 CA ILE A 51 -21.402 35.269 -26.013 1.00 0.00 C ATOM 775 C ILE A 51 -22.607 36.058 -25.474 1.00 0.00 C ATOM 776 O ILE A 51 -22.799 37.224 -25.841 1.00 0.00 O ATOM 777 CB ILE A 51 -20.104 36.091 -25.805 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.931 35.625 -26.694 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.697 36.106 -24.318 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.449 34.191 -26.474 1.00 0.00 C ATOM 0 H ILE A 51 -21.294 35.673 -28.051 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.289 34.333 -25.466 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.335 37.109 -26.120 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.228 35.731 -27.737 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.089 36.298 -26.532 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.784 36.689 -24.197 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.495 36.555 -23.727 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.524 35.085 -23.978 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.624 33.976 -27.153 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.111 34.075 -25.444 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.268 33.498 -26.668 1.00 0.00 H new ATOM 792 N PRO A 52 -23.426 35.460 -24.599 1.00 0.00 N ATOM 793 CA PRO A 52 -24.442 36.171 -23.840 1.00 0.00 C ATOM 794 C PRO A 52 -23.798 37.044 -22.754 1.00 0.00 C ATOM 795 O PRO A 52 -22.726 36.726 -22.232 1.00 0.00 O ATOM 796 CB PRO A 52 -25.340 35.076 -23.262 1.00 0.00 C ATOM 797 CG PRO A 52 -24.415 33.869 -23.139 1.00 0.00 C ATOM 798 CD PRO A 52 -23.413 34.052 -24.268 1.00 0.00 C ATOM 0 HA PRO A 52 -25.020 36.863 -24.453 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.750 35.365 -22.294 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.186 34.866 -23.917 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.921 33.843 -22.168 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.965 32.933 -23.242 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.417 33.735 -23.959 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.687 33.447 -25.132 1.00 0.00 H new ATOM 806 N GLY A 53 -24.478 38.135 -22.389 1.00 0.00 N ATOM 807 CA GLY A 53 -24.059 39.104 -21.362 1.00 0.00 C ATOM 808 C GLY A 53 -23.642 38.489 -20.017 1.00 0.00 C ATOM 809 O GLY A 53 -22.780 39.041 -19.327 1.00 0.00 O ATOM 0 H GLY A 53 -25.371 38.380 -22.816 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.224 39.685 -21.752 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.878 39.801 -21.187 1.00 0.00 H new ATOM 813 N THR A 54 -24.215 37.341 -19.642 1.00 0.00 N ATOM 814 CA THR A 54 -23.783 36.551 -18.483 1.00 0.00 C ATOM 815 C THR A 54 -23.807 35.035 -18.760 1.00 0.00 C ATOM 816 O THR A 54 -24.494 34.573 -19.676 1.00 0.00 O ATOM 817 CB THR A 54 -24.696 36.812 -17.263 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.034 36.457 -17.558 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.784 38.279 -16.845 1.00 0.00 C ATOM 0 H THR A 54 -25.003 36.928 -20.141 1.00 0.00 H new ATOM 0 HA THR A 54 -22.760 36.865 -18.278 1.00 0.00 H new ATOM 0 HB THR A 54 -24.243 36.219 -16.468 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.598 36.627 -16.775 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.444 38.373 -15.983 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.791 38.643 -16.583 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.180 38.870 -17.671 1.00 0.00 H new ATOM 827 N TRP A 55 -23.058 34.249 -17.972 1.00 0.00 N ATOM 828 CA TRP A 55 -22.941 32.786 -18.095 1.00 0.00 C ATOM 829 C TRP A 55 -22.484 32.123 -16.780 1.00 0.00 C ATOM 830 O TRP A 55 -21.723 32.708 -16.009 1.00 0.00 O ATOM 831 CB TRP A 55 -21.948 32.453 -19.216 1.00 0.00 C ATOM 832 CG TRP A 55 -21.933 31.022 -19.648 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.112 30.073 -19.157 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.743 30.352 -20.660 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.312 28.884 -19.821 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.313 28.994 -20.762 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.790 30.761 -21.511 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.879 28.095 -21.678 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.371 29.866 -22.432 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.917 28.536 -22.518 1.00 0.00 C ATOM 0 H TRP A 55 -22.499 34.625 -17.207 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.929 32.390 -18.330 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.179 33.075 -20.081 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.946 32.727 -18.885 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.400 30.223 -18.359 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.786 28.029 -19.640 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.153 31.777 -21.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.522 27.077 -21.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.170 30.203 -23.076 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.365 27.856 -23.227 1.00 0.00 H new ATOM 851 N LEU A 56 -22.927 30.891 -16.503 1.00 0.00 N ATOM 852 CA LEU A 56 -22.589 30.152 -15.282 1.00 0.00 C ATOM 853 C LEU A 56 -21.107 29.727 -15.261 1.00 0.00 C ATOM 854 O LEU A 56 -20.617 29.060 -16.175 1.00 0.00 O ATOM 855 CB LEU A 56 -23.541 28.949 -15.135 1.00 0.00 C ATOM 856 CG LEU A 56 -24.144 28.792 -13.730 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.265 27.756 -13.751 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.106 28.331 -12.710 1.00 0.00 C ATOM 0 H LEU A 56 -23.540 30.372 -17.131 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.723 30.808 -14.422 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.351 29.051 -15.857 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.000 28.038 -15.390 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.521 29.773 -13.440 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.684 27.653 -12.750 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.045 28.078 -14.440 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.867 26.795 -14.078 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.576 28.233 -11.731 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.699 27.367 -13.015 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.300 29.063 -12.654 1.00 0.00 H new ATOM 870 N CYS A 57 -20.398 30.108 -14.201 1.00 0.00 N ATOM 871 CA CYS A 57 -18.968 29.852 -14.009 1.00 0.00 C ATOM 872 C CYS A 57 -18.690 28.586 -13.187 1.00 0.00 C ATOM 873 O CYS A 57 -19.563 28.081 -12.476 1.00 0.00 O ATOM 874 CB CYS A 57 -18.345 31.080 -13.346 1.00 0.00 C ATOM 875 SG CYS A 57 -18.317 32.445 -14.526 1.00 0.00 S ATOM 0 H CYS A 57 -20.815 30.621 -13.424 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.517 29.673 -14.985 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.918 31.360 -12.462 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.333 30.853 -13.011 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.790 33.493 -13.965 1.00 0.00 H new ATOM 881 N ARG A 58 -17.438 28.104 -13.219 1.00 0.00 N ATOM 882 CA ARG A 58 -17.026 26.842 -12.569 1.00 0.00 C ATOM 883 C ARG A 58 -17.046 26.882 -11.031 1.00 0.00 C ATOM 884 O ARG A 58 -17.040 25.822 -10.404 1.00 0.00 O ATOM 885 CB ARG A 58 -15.654 26.371 -13.088 1.00 0.00 C ATOM 886 CG ARG A 58 -15.566 26.270 -14.621 1.00 0.00 C ATOM 887 CD ARG A 58 -14.216 25.705 -15.094 1.00 0.00 C ATOM 888 NE ARG A 58 -14.009 24.301 -14.679 1.00 0.00 N ATOM 889 CZ ARG A 58 -14.453 23.211 -15.281 1.00 0.00 C ATOM 890 NH1 ARG A 58 -15.171 23.255 -16.369 1.00 0.00 N ATOM 891 NH2 ARG A 58 -14.180 22.034 -14.793 1.00 0.00 N ATOM 0 H ARG A 58 -16.674 28.580 -13.699 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.786 26.114 -12.852 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.887 27.061 -12.735 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.429 25.396 -12.656 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.372 25.634 -14.987 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.716 27.258 -15.057 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.160 25.771 -16.181 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.409 26.320 -14.695 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.461 24.157 -13.831 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.410 24.155 -16.787 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.494 22.390 -16.802 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.622 21.951 -13.943 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.525 21.196 -15.261 1.00 0.00 H new ATOM 905 N ASN A 59 -17.143 28.069 -10.416 1.00 0.00 N ATOM 906 CA ASN A 59 -17.417 28.204 -8.975 1.00 0.00 C ATOM 907 C ASN A 59 -18.864 27.772 -8.600 1.00 0.00 C ATOM 908 O ASN A 59 -19.168 27.475 -7.444 1.00 0.00 O ATOM 909 CB ASN A 59 -17.159 29.669 -8.582 1.00 0.00 C ATOM 910 CG ASN A 59 -17.418 30.023 -7.121 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.288 29.220 -6.208 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.764 31.263 -6.856 1.00 0.00 N ATOM 0 H ASN A 59 -17.035 28.960 -10.900 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.756 27.536 -8.423 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.122 29.910 -8.816 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.783 30.308 -9.207 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.923 31.553 -5.891 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.873 31.935 -7.615 1.00 0.00 H new ATOM 919 N GLY A 60 -19.754 27.686 -9.591 1.00 0.00 N ATOM 920 CA GLY A 60 -21.180 27.365 -9.432 1.00 0.00 C ATOM 921 C GLY A 60 -22.081 28.598 -9.278 1.00 0.00 C ATOM 922 O GLY A 60 -23.225 28.468 -8.839 1.00 0.00 O ATOM 0 H GLY A 60 -19.494 27.844 -10.565 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.512 26.790 -10.297 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.303 26.725 -8.558 1.00 0.00 H new ATOM 926 N MET A 61 -21.577 29.788 -9.633 1.00 0.00 N ATOM 927 CA MET A 61 -22.304 31.061 -9.625 1.00 0.00 C ATOM 928 C MET A 61 -22.444 31.638 -11.040 1.00 0.00 C ATOM 929 O MET A 61 -21.574 31.448 -11.891 1.00 0.00 O ATOM 930 CB MET A 61 -21.593 32.037 -8.671 1.00 0.00 C ATOM 931 CG MET A 61 -22.388 33.321 -8.389 1.00 0.00 C ATOM 932 SD MET A 61 -24.096 33.071 -7.822 1.00 0.00 S ATOM 933 CE MET A 61 -24.673 34.789 -7.791 1.00 0.00 C ATOM 0 H MET A 61 -20.612 29.892 -9.946 1.00 0.00 H new ATOM 0 HA MET A 61 -23.319 30.895 -9.265 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.396 31.529 -7.727 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.626 32.306 -9.096 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.854 33.901 -7.636 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.409 33.922 -9.298 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.727 34.814 -7.514 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.093 35.355 -7.062 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.547 35.233 -8.778 1.00 0.00 H new ATOM 943 N GLU A 62 -23.523 32.379 -11.292 1.00 0.00 N ATOM 944 CA GLU A 62 -23.716 33.140 -12.531 1.00 0.00 C ATOM 945 C GLU A 62 -22.674 34.267 -12.629 1.00 0.00 C ATOM 946 O GLU A 62 -22.704 35.234 -11.863 1.00 0.00 O ATOM 947 CB GLU A 62 -25.149 33.690 -12.608 1.00 0.00 C ATOM 948 CG GLU A 62 -26.188 32.570 -12.762 1.00 0.00 C ATOM 949 CD GLU A 62 -27.612 33.147 -12.877 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.275 33.357 -11.831 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.085 33.389 -14.014 1.00 0.00 O ATOM 0 H GLU A 62 -24.298 32.470 -10.635 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.572 32.474 -13.382 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.366 34.264 -11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.229 34.377 -13.451 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.960 31.977 -13.648 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.133 31.898 -11.906 1.00 0.00 H new ATOM 958 N GLY A 63 -21.731 34.123 -13.561 1.00 0.00 N ATOM 959 CA GLY A 63 -20.715 35.124 -13.871 1.00 0.00 C ATOM 960 C GLY A 63 -21.214 36.162 -14.880 1.00 0.00 C ATOM 961 O GLY A 63 -21.989 35.833 -15.779 1.00 0.00 O ATOM 0 H GLY A 63 -21.653 33.284 -14.135 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.412 35.628 -12.953 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.829 34.629 -14.270 1.00 0.00 H new ATOM 965 N THR A 64 -20.730 37.403 -14.789 1.00 0.00 N ATOM 966 CA THR A 64 -21.017 38.466 -15.771 1.00 0.00 C ATOM 967 C THR A 64 -19.810 38.755 -16.658 1.00 0.00 C ATOM 968 O THR A 64 -18.683 38.783 -16.168 1.00 0.00 O ATOM 969 CB THR A 64 -21.481 39.761 -15.088 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.618 39.510 -14.286 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.869 40.859 -16.083 1.00 0.00 C ATOM 0 H THR A 64 -20.123 37.707 -14.028 1.00 0.00 H new ATOM 0 HA THR A 64 -21.828 38.096 -16.398 1.00 0.00 H new ATOM 0 HB THR A 64 -20.632 40.102 -14.496 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.904 40.342 -13.854 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.188 41.748 -15.538 1.00 0.00 H new ATOM 0 HG22 THR A 64 -21.010 41.105 -16.707 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.686 40.507 -16.713 1.00 0.00 H new ATOM 979 N LEU A 65 -20.046 38.939 -17.959 1.00 0.00 N ATOM 980 CA LEU A 65 -19.027 39.069 -19.004 1.00 0.00 C ATOM 981 C LEU A 65 -18.094 40.275 -18.753 1.00 0.00 C ATOM 982 O LEU A 65 -18.550 41.420 -18.707 1.00 0.00 O ATOM 983 CB LEU A 65 -19.777 39.123 -20.352 1.00 0.00 C ATOM 984 CG LEU A 65 -18.988 38.925 -21.664 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.920 39.276 -22.828 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.720 39.761 -21.831 1.00 0.00 C ATOM 0 H LEU A 65 -20.994 39.004 -18.329 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.349 38.216 -19.007 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.559 38.364 -20.322 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.274 40.091 -20.412 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.656 37.887 -21.642 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.389 39.145 -23.771 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.790 38.620 -22.808 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.244 40.312 -22.735 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.257 39.532 -22.791 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -17.975 40.820 -21.795 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.022 39.528 -21.027 1.00 0.00 H new