USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=5 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= 0.994 K(o=0.98,f=-0.0041) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0153 X(o=0.98,f=0.98) USER MOD Single : A 29 GLN : amide:sc= 0.797 K(o=0.8,f=-0.0041) USER MOD Single : A 33 TYR OH : rot -161:sc= 0.457 USER MOD Single : A 35 THR OG1 : rot -67:sc= 0.309 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.7 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.282 31.090 -29.475 1.00 0.00 N ATOM 438 CA GLN A 29 -14.227 32.383 -28.794 1.00 0.00 C ATOM 439 C GLN A 29 -14.157 32.137 -27.286 1.00 0.00 C ATOM 440 O GLN A 29 -15.099 31.638 -26.676 1.00 0.00 O ATOM 441 CB GLN A 29 -15.483 33.223 -29.092 1.00 0.00 C ATOM 442 CG GLN A 29 -15.764 33.465 -30.586 1.00 0.00 C ATOM 443 CD GLN A 29 -17.150 32.970 -30.975 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.983 33.693 -31.507 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.428 31.714 -30.711 1.00 0.00 N ATOM 0 HA GLN A 29 -13.351 32.925 -29.149 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.347 32.726 -28.651 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.383 34.188 -28.596 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.680 34.529 -30.806 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.011 32.955 -31.187 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.728 31.119 -30.268 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.344 31.333 -30.949 1.00 0.00 H new ATOM 454 N ILE A 30 -13.039 32.492 -26.680 1.00 0.00 N ATOM 455 CA ILE A 30 -12.844 32.448 -25.228 1.00 0.00 C ATOM 456 C ILE A 30 -13.301 33.783 -24.629 1.00 0.00 C ATOM 457 O ILE A 30 -12.606 34.796 -24.747 1.00 0.00 O ATOM 458 CB ILE A 30 -11.381 32.115 -24.858 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.777 30.939 -25.661 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.296 31.844 -23.344 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.577 29.635 -25.637 1.00 0.00 C ATOM 0 H ILE A 30 -12.220 32.827 -27.187 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.448 31.645 -24.806 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.778 32.982 -25.128 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.662 31.253 -26.698 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.777 30.737 -25.276 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.267 31.608 -23.074 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.621 32.729 -22.797 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.940 31.003 -23.088 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.062 28.881 -26.232 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.671 29.285 -24.609 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.569 29.809 -26.053 1.00 0.00 H new ATOM 473 N ALA A 31 -14.464 33.785 -23.979 1.00 0.00 N ATOM 474 CA ALA A 31 -14.929 34.904 -23.161 1.00 0.00 C ATOM 475 C ALA A 31 -14.610 34.655 -21.680 1.00 0.00 C ATOM 476 O ALA A 31 -14.542 33.510 -21.228 1.00 0.00 O ATOM 477 CB ALA A 31 -16.423 35.129 -23.408 1.00 0.00 C ATOM 0 H ALA A 31 -15.117 33.002 -24.006 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.403 35.816 -23.446 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.771 35.963 -22.799 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.588 35.356 -24.461 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.976 34.229 -23.140 1.00 0.00 H new ATOM 483 N ARG A 32 -14.435 35.732 -20.912 1.00 0.00 N ATOM 484 CA ARG A 32 -14.293 35.687 -19.448 1.00 0.00 C ATOM 485 C ARG A 32 -15.575 36.160 -18.769 1.00 0.00 C ATOM 486 O ARG A 32 -16.290 37.005 -19.313 1.00 0.00 O ATOM 487 CB ARG A 32 -13.041 36.478 -19.005 1.00 0.00 C ATOM 488 CG ARG A 32 -11.858 35.518 -18.825 1.00 0.00 C ATOM 489 CD ARG A 32 -10.517 36.204 -18.533 1.00 0.00 C ATOM 490 NE ARG A 32 -9.528 35.226 -18.037 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.215 35.341 -17.989 1.00 0.00 C ATOM 492 NH1 ARG A 32 -7.567 36.392 -18.409 1.00 0.00 N ATOM 493 NH2 ARG A 32 -7.519 34.359 -17.499 1.00 0.00 N ATOM 0 H ARG A 32 -14.387 36.677 -21.292 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.140 34.656 -19.129 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.796 37.236 -19.749 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.242 37.002 -18.070 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.085 34.832 -18.009 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.754 34.917 -19.728 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.142 36.681 -19.439 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.659 36.992 -17.793 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.910 34.348 -17.686 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.078 37.183 -18.801 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.549 36.423 -18.346 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.989 33.520 -17.161 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.502 34.428 -17.453 1.00 0.00 H new ATOM 507 N TYR A 33 -15.839 35.647 -17.567 1.00 0.00 N ATOM 508 CA TYR A 33 -16.956 36.054 -16.713 1.00 0.00 C ATOM 509 C TYR A 33 -16.533 36.087 -15.237 1.00 0.00 C ATOM 510 O TYR A 33 -15.760 35.241 -14.784 1.00 0.00 O ATOM 511 CB TYR A 33 -18.153 35.118 -16.889 1.00 0.00 C ATOM 512 CG TYR A 33 -18.777 35.064 -18.264 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.187 34.299 -19.288 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.984 35.739 -18.500 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.828 34.189 -20.535 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.615 35.646 -19.749 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.064 34.832 -20.753 1.00 0.00 C ATOM 518 OH TYR A 33 -20.760 34.632 -21.898 1.00 0.00 O ATOM 0 H TYR A 33 -15.265 34.915 -17.148 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.252 37.058 -17.017 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.839 34.110 -16.618 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.924 35.414 -16.177 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.246 33.798 -19.117 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.429 36.333 -17.716 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.373 33.612 -21.326 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.523 36.199 -19.939 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.414 35.353 -22.013 1.00 0.00 H new ATOM 528 N ARG A 34 -17.047 37.065 -14.485 1.00 0.00 N ATOM 529 CA ARG A 34 -16.757 37.314 -13.063 1.00 0.00 C ATOM 530 C ARG A 34 -17.967 36.989 -12.190 1.00 0.00 C ATOM 531 O ARG A 34 -19.053 37.513 -12.430 1.00 0.00 O ATOM 532 CB ARG A 34 -16.303 38.773 -12.903 1.00 0.00 C ATOM 533 CG ARG A 34 -15.782 39.051 -11.485 1.00 0.00 C ATOM 534 CD ARG A 34 -15.336 40.505 -11.302 1.00 0.00 C ATOM 535 NE ARG A 34 -14.278 40.914 -12.247 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.964 42.136 -12.628 1.00 0.00 C ATOM 537 NH1 ARG A 34 -14.592 43.197 -12.204 1.00 0.00 N ATOM 538 NH2 ARG A 34 -12.985 42.290 -13.465 1.00 0.00 N ATOM 0 H ARG A 34 -17.710 37.740 -14.867 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.954 36.657 -12.728 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.520 38.993 -13.629 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.137 39.440 -13.122 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.564 38.820 -10.762 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -14.944 38.387 -11.272 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.198 41.161 -11.426 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.976 40.642 -10.282 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.724 40.161 -12.654 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -15.366 43.103 -11.546 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.309 44.121 -12.530 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.478 41.476 -13.812 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.722 43.225 -13.776 1.00 0.00 H new ATOM 552 N THR A 35 -17.775 36.139 -11.187 1.00 0.00 N ATOM 553 CA THR A 35 -18.829 35.668 -10.267 1.00 0.00 C ATOM 554 C THR A 35 -19.118 36.684 -9.164 1.00 0.00 C ATOM 555 O THR A 35 -18.455 37.718 -9.046 1.00 0.00 O ATOM 556 CB THR A 35 -18.477 34.331 -9.606 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.342 34.487 -8.810 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.239 33.208 -10.597 1.00 0.00 C ATOM 0 H THR A 35 -16.859 35.742 -10.977 1.00 0.00 H new ATOM 0 HA THR A 35 -19.714 35.537 -10.889 1.00 0.00 H new ATOM 0 HB THR A 35 -19.341 34.047 -9.006 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.566 34.672 -9.379 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.995 32.293 -10.058 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.139 33.050 -11.191 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.412 33.473 -11.255 1.00 0.00 H new ATOM 566 N ASP A 36 -20.081 36.367 -8.299 1.00 0.00 N ATOM 567 CA ASP A 36 -20.498 37.258 -7.222 1.00 0.00 C ATOM 568 C ASP A 36 -19.474 37.376 -6.077 1.00 0.00 C ATOM 569 O ASP A 36 -19.526 38.350 -5.321 1.00 0.00 O ATOM 570 CB ASP A 36 -21.884 36.822 -6.724 1.00 0.00 C ATOM 571 CG ASP A 36 -22.525 37.852 -5.776 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.835 38.981 -6.229 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.761 37.525 -4.588 1.00 0.00 O ATOM 0 H ASP A 36 -20.593 35.485 -8.327 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.557 38.268 -7.628 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.540 36.664 -7.580 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.796 35.865 -6.209 1.00 0.00 H new ATOM 578 N ASN A 37 -18.495 36.459 -5.976 1.00 0.00 N ATOM 579 CA ASN A 37 -17.380 36.617 -5.026 1.00 0.00 C ATOM 580 C ASN A 37 -16.160 37.340 -5.648 1.00 0.00 C ATOM 581 O ASN A 37 -15.112 37.452 -5.006 1.00 0.00 O ATOM 582 CB ASN A 37 -16.979 35.278 -4.393 1.00 0.00 C ATOM 583 CG ASN A 37 -18.104 34.315 -4.063 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.171 34.667 -3.579 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.864 33.049 -4.298 1.00 0.00 N ATOM 0 H ASN A 37 -18.453 35.607 -6.536 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.748 37.262 -4.228 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.289 34.775 -5.070 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.430 35.487 -3.475 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.570 32.347 -4.077 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.971 32.766 -4.702 1.00 0.00 H new ATOM 592 N GLY A 38 -16.260 37.783 -6.909 1.00 0.00 N ATOM 593 CA GLY A 38 -15.136 38.269 -7.722 1.00 0.00 C ATOM 594 C GLY A 38 -14.298 37.168 -8.371 1.00 0.00 C ATOM 595 O GLY A 38 -13.234 37.464 -8.916 1.00 0.00 O ATOM 0 H GLY A 38 -17.150 37.814 -7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.525 38.920 -8.505 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.487 38.879 -7.094 1.00 0.00 H new ATOM 599 N GLU A 39 -14.733 35.908 -8.308 1.00 0.00 N ATOM 600 CA GLU A 39 -13.995 34.785 -8.901 1.00 0.00 C ATOM 601 C GLU A 39 -14.183 34.826 -10.423 1.00 0.00 C ATOM 602 O GLU A 39 -15.311 34.761 -10.908 1.00 0.00 O ATOM 603 CB GLU A 39 -14.445 33.426 -8.325 1.00 0.00 C ATOM 604 CG GLU A 39 -14.797 33.473 -6.832 1.00 0.00 C ATOM 605 CD GLU A 39 -14.564 32.180 -6.032 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.570 31.449 -6.268 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.372 31.932 -5.104 1.00 0.00 O ATOM 0 H GLU A 39 -15.602 35.636 -7.848 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.939 34.888 -8.653 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.313 33.075 -8.883 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.651 32.696 -8.479 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.215 34.270 -6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.847 33.748 -6.737 1.00 0.00 H new ATOM 614 N GLU A 40 -13.102 34.951 -11.183 1.00 0.00 N ATOM 615 CA GLU A 40 -13.149 35.086 -12.647 1.00 0.00 C ATOM 616 C GLU A 40 -12.787 33.761 -13.341 1.00 0.00 C ATOM 617 O GLU A 40 -11.766 33.140 -13.029 1.00 0.00 O ATOM 618 CB GLU A 40 -12.173 36.175 -13.115 1.00 0.00 C ATOM 619 CG GLU A 40 -12.602 37.560 -12.631 1.00 0.00 C ATOM 620 CD GLU A 40 -11.640 38.664 -13.104 1.00 0.00 C ATOM 621 OE1 GLU A 40 -10.407 38.556 -12.899 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.136 39.678 -13.649 1.00 0.00 O ATOM 0 H GLU A 40 -12.155 34.962 -10.804 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.168 35.361 -12.917 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.173 35.952 -12.743 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.117 36.171 -14.204 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.607 37.775 -12.995 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.650 37.564 -11.542 1.00 0.00 H new ATOM 629 N PHE A 41 -13.611 33.348 -14.308 1.00 0.00 N ATOM 630 CA PHE A 41 -13.448 32.121 -15.099 1.00 0.00 C ATOM 631 C PHE A 41 -13.557 32.380 -16.602 1.00 0.00 C ATOM 632 O PHE A 41 -14.072 33.410 -17.037 1.00 0.00 O ATOM 633 CB PHE A 41 -14.495 31.087 -14.672 1.00 0.00 C ATOM 634 CG PHE A 41 -14.323 30.603 -13.248 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.904 31.307 -12.176 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.534 29.465 -12.990 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.688 30.866 -10.866 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.312 29.036 -11.672 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.886 29.741 -10.605 1.00 0.00 C ATOM 0 H PHE A 41 -14.442 33.878 -14.573 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.445 31.739 -14.907 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.489 31.522 -14.782 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.445 30.232 -15.346 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.511 32.180 -12.363 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.097 28.918 -13.812 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.144 31.397 -10.044 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.701 28.166 -11.481 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.713 29.422 -9.588 1.00 0.00 H new ATOM 649 N GLU A 42 -13.107 31.412 -17.400 1.00 0.00 N ATOM 650 CA GLU A 42 -13.155 31.446 -18.856 1.00 0.00 C ATOM 651 C GLU A 42 -14.173 30.436 -19.385 1.00 0.00 C ATOM 652 O GLU A 42 -14.191 29.270 -18.973 1.00 0.00 O ATOM 653 CB GLU A 42 -11.776 31.156 -19.467 1.00 0.00 C ATOM 654 CG GLU A 42 -10.648 32.006 -18.866 1.00 0.00 C ATOM 655 CD GLU A 42 -9.924 31.421 -17.638 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.055 30.215 -17.317 1.00 0.00 O ATOM 657 OE2 GLU A 42 -9.198 32.210 -16.985 1.00 0.00 O ATOM 0 H GLU A 42 -12.686 30.557 -17.036 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.460 32.450 -19.150 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.540 30.101 -19.326 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.819 31.332 -20.542 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.907 32.188 -19.644 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.063 32.975 -18.588 1.00 0.00 H new ATOM 664 N VAL A 43 -14.995 30.880 -20.331 1.00 0.00 N ATOM 665 CA VAL A 43 -16.006 30.072 -21.016 1.00 0.00 C ATOM 666 C VAL A 43 -15.680 30.019 -22.519 1.00 0.00 C ATOM 667 O VAL A 43 -15.791 31.042 -23.203 1.00 0.00 O ATOM 668 CB VAL A 43 -17.425 30.605 -20.763 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.462 29.667 -21.391 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.740 30.752 -19.267 1.00 0.00 C ATOM 0 H VAL A 43 -14.977 31.847 -20.655 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.981 29.060 -20.613 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.473 31.593 -21.221 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.463 30.055 -21.205 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.291 29.603 -22.466 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.370 28.675 -20.949 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.754 31.132 -19.144 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.655 29.781 -18.780 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -17.035 31.448 -18.813 1.00 0.00 H new ATOM 680 N PRO A 44 -15.254 28.859 -23.053 1.00 0.00 N ATOM 681 CA PRO A 44 -15.069 28.657 -24.489 1.00 0.00 C ATOM 682 C PRO A 44 -16.424 28.533 -25.210 1.00 0.00 C ATOM 683 O PRO A 44 -17.268 27.711 -24.842 1.00 0.00 O ATOM 684 CB PRO A 44 -14.234 27.378 -24.612 1.00 0.00 C ATOM 685 CG PRO A 44 -14.576 26.584 -23.352 1.00 0.00 C ATOM 686 CD PRO A 44 -14.875 27.664 -22.312 1.00 0.00 C ATOM 0 HA PRO A 44 -14.567 29.502 -24.961 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.488 26.822 -25.514 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.168 27.602 -24.665 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.435 25.932 -23.511 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.747 25.948 -23.042 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.679 27.349 -21.646 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.001 27.855 -21.689 1.00 0.00 H new ATOM 694 N PHE A 45 -16.612 29.316 -26.274 1.00 0.00 N ATOM 695 CA PHE A 45 -17.780 29.276 -27.173 1.00 0.00 C ATOM 696 C PHE A 45 -17.371 28.905 -28.599 1.00 0.00 C ATOM 697 O PHE A 45 -16.385 29.422 -29.109 1.00 0.00 O ATOM 698 CB PHE A 45 -18.482 30.638 -27.194 1.00 0.00 C ATOM 699 CG PHE A 45 -19.339 30.921 -25.977 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.754 31.467 -24.822 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.726 30.686 -26.011 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.552 31.787 -23.713 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.522 30.995 -24.892 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.931 31.534 -23.734 1.00 0.00 C ATOM 0 H PHE A 45 -15.932 30.025 -26.549 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.460 28.514 -26.792 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.728 31.420 -27.282 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.107 30.697 -28.085 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.689 31.641 -24.788 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.180 30.268 -26.897 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.101 32.231 -22.838 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.587 30.818 -24.922 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.536 31.752 -22.866 1.00 0.00 H new ATOM 714 N ALA A 46 -18.151 28.085 -29.291 1.00 0.00 N ATOM 715 CA ALA A 46 -17.869 27.679 -30.670 1.00 0.00 C ATOM 716 C ALA A 46 -18.306 28.761 -31.673 1.00 0.00 C ATOM 717 O ALA A 46 -19.176 29.578 -31.373 1.00 0.00 O ATOM 718 CB ALA A 46 -18.558 26.334 -30.938 1.00 0.00 C ATOM 0 H ALA A 46 -19.005 27.677 -28.912 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.794 27.558 -30.803 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.356 26.020 -31.962 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.174 25.584 -30.246 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.633 26.442 -30.797 1.00 0.00 H new ATOM 724 N ASP A 47 -17.748 28.751 -32.886 1.00 0.00 N ATOM 725 CA ASP A 47 -18.100 29.688 -33.971 1.00 0.00 C ATOM 726 C ASP A 47 -19.589 29.621 -34.395 1.00 0.00 C ATOM 727 O ASP A 47 -20.125 30.575 -34.962 1.00 0.00 O ATOM 728 CB ASP A 47 -17.168 29.410 -35.159 1.00 0.00 C ATOM 729 CG ASP A 47 -17.365 30.402 -36.319 1.00 0.00 C ATOM 730 OD1 ASP A 47 -16.998 31.593 -36.167 1.00 0.00 O ATOM 731 OD2 ASP A 47 -17.843 29.985 -37.402 1.00 0.00 O ATOM 0 H ASP A 47 -17.026 28.082 -33.153 1.00 0.00 H new ATOM 0 HA ASP A 47 -17.963 30.704 -33.601 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.133 29.455 -34.821 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.341 28.396 -35.521 1.00 0.00 H new ATOM 736 N ASP A 48 -20.279 28.519 -34.080 1.00 0.00 N ATOM 737 CA ASP A 48 -21.732 28.349 -34.261 1.00 0.00 C ATOM 738 C ASP A 48 -22.579 29.104 -33.205 1.00 0.00 C ATOM 739 O ASP A 48 -23.792 29.259 -33.365 1.00 0.00 O ATOM 740 CB ASP A 48 -22.031 26.844 -34.239 1.00 0.00 C ATOM 741 CG ASP A 48 -23.475 26.509 -34.657 1.00 0.00 C ATOM 742 OD1 ASP A 48 -23.848 26.783 -35.823 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.226 25.927 -33.838 1.00 0.00 O ATOM 0 H ASP A 48 -19.832 27.694 -33.680 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.017 28.790 -35.216 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.338 26.332 -34.906 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.851 26.458 -33.236 1.00 0.00 H new ATOM 748 N ALA A 49 -21.940 29.582 -32.132 1.00 0.00 N ATOM 749 CA ALA A 49 -22.536 30.266 -30.982 1.00 0.00 C ATOM 750 C ALA A 49 -22.022 31.716 -30.814 1.00 0.00 C ATOM 751 O ALA A 49 -21.104 32.166 -31.504 1.00 0.00 O ATOM 752 CB ALA A 49 -22.258 29.413 -29.735 1.00 0.00 C ATOM 0 H ALA A 49 -20.928 29.495 -32.039 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.610 30.366 -31.140 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.690 29.897 -28.859 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.704 28.427 -29.862 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.182 29.309 -29.598 1.00 0.00 H new ATOM 758 N GLU A 50 -22.614 32.448 -29.868 1.00 0.00 N ATOM 759 CA GLU A 50 -22.229 33.808 -29.455 1.00 0.00 C ATOM 760 C GLU A 50 -22.181 33.944 -27.920 1.00 0.00 C ATOM 761 O GLU A 50 -22.671 33.070 -27.206 1.00 0.00 O ATOM 762 CB GLU A 50 -23.180 34.832 -30.098 1.00 0.00 C ATOM 763 CG GLU A 50 -24.623 34.772 -29.575 1.00 0.00 C ATOM 764 CD GLU A 50 -25.521 35.779 -30.320 1.00 0.00 C ATOM 765 OE1 GLU A 50 -25.587 36.964 -29.910 1.00 0.00 O ATOM 766 OE2 GLU A 50 -26.177 35.393 -31.320 1.00 0.00 O ATOM 0 H GLU A 50 -23.413 32.096 -29.341 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.218 34.010 -29.809 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.786 35.834 -29.927 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.190 34.673 -31.176 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -25.018 33.764 -29.701 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.636 34.988 -28.507 1.00 0.00 H new ATOM 773 N ILE A 51 -21.599 35.039 -27.418 1.00 0.00 N ATOM 774 CA ILE A 51 -21.395 35.361 -25.998 1.00 0.00 C ATOM 775 C ILE A 51 -22.602 36.150 -25.462 1.00 0.00 C ATOM 776 O ILE A 51 -22.789 37.318 -25.823 1.00 0.00 O ATOM 777 CB ILE A 51 -20.097 36.177 -25.776 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.912 35.708 -26.652 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.711 36.192 -24.284 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.441 34.270 -26.432 1.00 0.00 C ATOM 0 H ILE A 51 -21.235 35.770 -28.029 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.297 34.421 -25.455 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.319 37.195 -26.097 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.194 35.820 -27.699 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.069 36.376 -26.475 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.797 36.770 -24.150 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.515 36.646 -23.705 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.548 35.171 -23.940 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.607 34.054 -27.100 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.119 34.147 -25.398 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.261 33.583 -26.641 1.00 0.00 H new ATOM 792 N PRO A 52 -23.424 35.551 -24.590 1.00 0.00 N ATOM 793 CA PRO A 52 -24.440 36.257 -23.826 1.00 0.00 C ATOM 794 C PRO A 52 -23.797 37.112 -22.723 1.00 0.00 C ATOM 795 O PRO A 52 -22.736 36.776 -22.192 1.00 0.00 O ATOM 796 CB PRO A 52 -25.345 35.159 -23.266 1.00 0.00 C ATOM 797 CG PRO A 52 -24.423 33.950 -23.145 1.00 0.00 C ATOM 798 CD PRO A 52 -23.411 34.141 -24.265 1.00 0.00 C ATOM 0 HA PRO A 52 -25.011 36.960 -24.433 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.764 35.440 -22.300 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.185 34.956 -23.930 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.937 33.916 -22.170 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.973 33.016 -23.260 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.417 33.824 -23.949 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.676 33.539 -25.135 1.00 0.00 H new ATOM 806 N GLY A 53 -24.470 38.204 -22.352 1.00 0.00 N ATOM 807 CA GLY A 53 -24.050 39.160 -21.312 1.00 0.00 C ATOM 808 C GLY A 53 -23.647 38.532 -19.970 1.00 0.00 C ATOM 809 O GLY A 53 -22.784 39.070 -19.272 1.00 0.00 O ATOM 0 H GLY A 53 -25.358 38.461 -22.782 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.208 39.738 -21.692 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.865 39.862 -21.136 1.00 0.00 H new ATOM 813 N THR A 54 -24.231 37.385 -19.606 1.00 0.00 N ATOM 814 CA THR A 54 -23.805 36.584 -18.452 1.00 0.00 C ATOM 815 C THR A 54 -23.840 35.071 -18.739 1.00 0.00 C ATOM 816 O THR A 54 -24.527 34.618 -19.659 1.00 0.00 O ATOM 817 CB THR A 54 -24.710 36.843 -17.227 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.053 36.504 -17.521 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.776 38.305 -16.793 1.00 0.00 C ATOM 0 H THR A 54 -25.021 36.982 -20.110 1.00 0.00 H new ATOM 0 HA THR A 54 -22.779 36.891 -18.247 1.00 0.00 H new ATOM 0 HB THR A 54 -24.263 36.237 -16.439 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.613 36.672 -16.734 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.432 38.398 -15.928 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.777 38.652 -16.530 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.166 38.910 -17.611 1.00 0.00 H new ATOM 827 N TRP A 55 -23.095 34.278 -17.955 1.00 0.00 N ATOM 828 CA TRP A 55 -22.980 32.817 -18.087 1.00 0.00 C ATOM 829 C TRP A 55 -22.526 32.149 -16.774 1.00 0.00 C ATOM 830 O TRP A 55 -21.762 32.729 -16.001 1.00 0.00 O ATOM 831 CB TRP A 55 -21.990 32.492 -19.210 1.00 0.00 C ATOM 832 CG TRP A 55 -21.976 31.065 -19.654 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.156 30.111 -19.173 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.786 30.406 -20.675 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.359 28.927 -19.847 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.360 29.047 -20.787 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.827 30.826 -21.527 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.929 28.156 -21.710 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.410 29.940 -22.455 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.962 28.609 -22.549 1.00 0.00 C ATOM 0 H TRP A 55 -22.537 34.648 -17.186 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.967 32.420 -18.325 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.221 33.121 -20.070 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.988 32.762 -18.878 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.443 30.254 -18.375 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.835 28.070 -19.673 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.184 31.844 -21.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.578 27.137 -21.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.206 30.285 -23.098 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.411 27.937 -23.265 1.00 0.00 H new ATOM 851 N LEU A 56 -22.972 30.917 -16.503 1.00 0.00 N ATOM 852 CA LEU A 56 -22.617 30.167 -15.292 1.00 0.00 C ATOM 853 C LEU A 56 -21.133 29.749 -15.296 1.00 0.00 C ATOM 854 O LEU A 56 -20.658 29.091 -16.224 1.00 0.00 O ATOM 855 CB LEU A 56 -23.561 28.956 -15.150 1.00 0.00 C ATOM 856 CG LEU A 56 -24.149 28.777 -13.742 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.246 27.713 -13.763 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.093 28.333 -12.733 1.00 0.00 C ATOM 0 H LEU A 56 -23.597 30.406 -17.126 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.745 30.812 -14.423 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.379 29.062 -15.862 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.017 28.052 -15.422 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.546 29.747 -13.442 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.656 27.594 -12.760 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.038 28.021 -14.445 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.827 26.765 -14.099 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.553 28.219 -11.751 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.667 27.380 -13.047 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.304 29.083 -12.679 1.00 0.00 H new ATOM 870 N CYS A 57 -20.403 30.120 -14.247 1.00 0.00 N ATOM 871 CA CYS A 57 -18.972 29.854 -14.093 1.00 0.00 C ATOM 872 C CYS A 57 -18.687 28.543 -13.352 1.00 0.00 C ATOM 873 O CYS A 57 -19.550 27.981 -12.673 1.00 0.00 O ATOM 874 CB CYS A 57 -18.320 31.040 -13.378 1.00 0.00 C ATOM 875 SG CYS A 57 -18.267 32.452 -14.501 1.00 0.00 S ATOM 0 H CYS A 57 -20.801 30.629 -13.457 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.542 29.735 -15.087 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.884 31.294 -12.481 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.312 30.777 -13.057 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.716 33.464 -13.900 1.00 0.00 H new ATOM 881 N ARG A 58 -17.429 28.087 -13.426 1.00 0.00 N ATOM 882 CA ARG A 58 -16.982 26.790 -12.882 1.00 0.00 C ATOM 883 C ARG A 58 -17.023 26.715 -11.345 1.00 0.00 C ATOM 884 O ARG A 58 -17.023 25.619 -10.784 1.00 0.00 O ATOM 885 CB ARG A 58 -15.582 26.430 -13.424 1.00 0.00 C ATOM 886 CG ARG A 58 -15.395 26.690 -14.932 1.00 0.00 C ATOM 887 CD ARG A 58 -14.017 26.228 -15.419 1.00 0.00 C ATOM 888 NE ARG A 58 -13.722 26.748 -16.770 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.717 26.397 -17.553 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.864 25.468 -17.223 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.553 26.989 -18.698 1.00 0.00 N ATOM 0 H ARG A 58 -16.679 28.615 -13.872 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.700 26.047 -13.229 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.835 27.002 -12.874 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.388 25.376 -13.223 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.172 26.169 -15.491 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.515 27.754 -15.136 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.251 26.566 -14.722 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.979 25.139 -15.430 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.362 27.452 -17.137 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.959 24.982 -16.331 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.102 25.227 -17.857 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.199 27.722 -18.990 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.778 26.720 -19.305 1.00 0.00 H new ATOM 905 N ASN A 59 -17.126 27.865 -10.668 1.00 0.00 N ATOM 906 CA ASN A 59 -17.380 27.976 -9.224 1.00 0.00 C ATOM 907 C ASN A 59 -18.810 27.536 -8.818 1.00 0.00 C ATOM 908 O ASN A 59 -19.084 27.266 -7.647 1.00 0.00 O ATOM 909 CB ASN A 59 -17.125 29.448 -8.848 1.00 0.00 C ATOM 910 CG ASN A 59 -17.323 29.826 -7.386 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.100 29.056 -6.464 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.694 31.063 -7.136 1.00 0.00 N ATOM 0 H ASN A 59 -17.032 28.773 -11.123 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.717 27.300 -8.684 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.102 29.698 -9.128 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.783 30.072 -9.453 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.796 31.380 -6.172 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.880 31.705 -7.906 1.00 0.00 H new ATOM 919 N GLY A 60 -19.733 27.455 -9.781 1.00 0.00 N ATOM 920 CA GLY A 60 -21.160 27.190 -9.560 1.00 0.00 C ATOM 921 C GLY A 60 -21.997 28.462 -9.353 1.00 0.00 C ATOM 922 O GLY A 60 -23.149 28.371 -8.924 1.00 0.00 O ATOM 0 H GLY A 60 -19.502 27.576 -10.767 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.555 26.640 -10.414 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.271 26.546 -8.687 1.00 0.00 H new ATOM 926 N MET A 61 -21.431 29.641 -9.645 1.00 0.00 N ATOM 927 CA MET A 61 -22.082 30.950 -9.545 1.00 0.00 C ATOM 928 C MET A 61 -22.269 31.584 -10.932 1.00 0.00 C ATOM 929 O MET A 61 -21.448 31.395 -11.831 1.00 0.00 O ATOM 930 CB MET A 61 -21.251 31.835 -8.600 1.00 0.00 C ATOM 931 CG MET A 61 -21.937 33.153 -8.209 1.00 0.00 C ATOM 932 SD MET A 61 -23.598 33.021 -7.489 1.00 0.00 S ATOM 933 CE MET A 61 -23.197 32.286 -5.880 1.00 0.00 C ATOM 0 H MET A 61 -20.467 29.709 -9.971 1.00 0.00 H new ATOM 0 HA MET A 61 -23.084 30.840 -9.131 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.028 31.271 -7.694 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.297 32.062 -9.077 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.297 33.672 -7.496 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.000 33.781 -9.097 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.114 32.138 -5.309 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.705 31.325 -6.031 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.531 32.952 -5.332 1.00 0.00 H new ATOM 943 N GLU A 62 -23.336 32.360 -11.108 1.00 0.00 N ATOM 944 CA GLU A 62 -23.600 33.124 -12.334 1.00 0.00 C ATOM 945 C GLU A 62 -22.559 34.243 -12.502 1.00 0.00 C ATOM 946 O GLU A 62 -22.528 35.208 -11.732 1.00 0.00 O ATOM 947 CB GLU A 62 -25.032 33.682 -12.325 1.00 0.00 C ATOM 948 CG GLU A 62 -26.085 32.569 -12.419 1.00 0.00 C ATOM 949 CD GLU A 62 -27.509 33.155 -12.457 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.120 33.354 -11.378 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.034 33.417 -13.568 1.00 0.00 O ATOM 0 H GLU A 62 -24.055 32.480 -10.394 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.512 32.456 -13.191 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.192 34.255 -11.412 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.158 34.371 -13.160 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.910 31.973 -13.315 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.987 31.898 -11.565 1.00 0.00 H new ATOM 958 N GLY A 63 -21.679 34.092 -13.493 1.00 0.00 N ATOM 959 CA GLY A 63 -20.671 35.084 -13.859 1.00 0.00 C ATOM 960 C GLY A 63 -21.197 36.123 -14.852 1.00 0.00 C ATOM 961 O GLY A 63 -22.012 35.805 -15.720 1.00 0.00 O ATOM 0 H GLY A 63 -21.648 33.256 -14.076 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.323 35.591 -12.959 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.809 34.577 -14.293 1.00 0.00 H new ATOM 965 N THR A 64 -20.689 37.354 -14.781 1.00 0.00 N ATOM 966 CA THR A 64 -20.988 38.426 -15.750 1.00 0.00 C ATOM 967 C THR A 64 -19.791 38.723 -16.646 1.00 0.00 C ATOM 968 O THR A 64 -18.658 38.755 -16.170 1.00 0.00 O ATOM 969 CB THR A 64 -21.440 39.713 -15.045 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.571 39.458 -14.238 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.827 40.833 -16.018 1.00 0.00 C ATOM 0 H THR A 64 -20.049 37.645 -14.042 1.00 0.00 H new ATOM 0 HA THR A 64 -21.806 38.064 -16.373 1.00 0.00 H new ATOM 0 HB THR A 64 -20.583 40.038 -14.455 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.848 40.286 -13.793 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.137 41.713 -15.455 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.970 41.085 -16.643 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.650 40.498 -16.649 1.00 0.00 H new ATOM 979 N LEU A 65 -20.043 38.915 -17.944 1.00 0.00 N ATOM 980 CA LEU A 65 -19.039 39.106 -18.991 1.00 0.00 C ATOM 981 C LEU A 65 -18.172 40.354 -18.707 1.00 0.00 C ATOM 982 O LEU A 65 -18.692 41.470 -18.621 1.00 0.00 O ATOM 983 CB LEU A 65 -19.806 39.167 -20.329 1.00 0.00 C ATOM 984 CG LEU A 65 -19.028 38.996 -21.649 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.973 39.348 -22.803 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.774 39.852 -21.809 1.00 0.00 C ATOM 0 H LEU A 65 -20.995 38.943 -18.308 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.325 38.284 -19.028 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.577 38.398 -20.301 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.317 40.129 -20.371 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.684 37.962 -21.647 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.447 39.235 -23.751 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.835 38.681 -22.784 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.310 40.379 -22.695 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.313 39.645 -22.775 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.044 40.907 -21.754 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.068 39.616 -21.012 1.00 0.00 H new