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= 0.953 K(o=0.87,f=-0.0049) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0829 X(o=0.87,f=1) USER MOD Single : A 29 GLN : amide:sc= 0.73 K(o=0.73,f=-0.0047) USER MOD Single : A 33 TYR OH : rot -164:sc= 0.552 USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.254 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.28 USER MOD Single : A 61 MET CE :methyl 174:sc= 0 (180deg=-0.048) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.244 30.978 -29.558 1.00 0.00 N ATOM 438 CA GLN A 29 -14.176 32.264 -28.859 1.00 0.00 C ATOM 439 C GLN A 29 -14.086 32.009 -27.353 1.00 0.00 C ATOM 440 O GLN A 29 -15.002 31.466 -26.743 1.00 0.00 O ATOM 441 CB GLN A 29 -15.440 33.106 -29.126 1.00 0.00 C ATOM 442 CG GLN A 29 -15.762 33.358 -30.609 1.00 0.00 C ATOM 443 CD GLN A 29 -17.157 32.868 -30.970 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.986 33.589 -31.508 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.447 31.618 -30.678 1.00 0.00 N ATOM 0 HA GLN A 29 -13.301 32.804 -29.221 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.293 32.607 -28.666 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.327 34.069 -28.627 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.683 34.424 -30.823 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.025 32.852 -31.233 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.750 31.024 -30.229 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.369 31.243 -30.900 1.00 0.00 H new ATOM 454 N ILE A 30 -12.989 32.418 -26.741 1.00 0.00 N ATOM 455 CA ILE A 30 -12.775 32.359 -25.291 1.00 0.00 C ATOM 456 C ILE A 30 -13.210 33.690 -24.666 1.00 0.00 C ATOM 457 O ILE A 30 -12.519 34.704 -24.802 1.00 0.00 O ATOM 458 CB ILE A 30 -11.308 32.010 -24.944 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.715 30.849 -25.777 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.197 31.709 -23.437 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.499 29.536 -25.742 1.00 0.00 C ATOM 0 H ILE A 30 -12.195 32.813 -27.246 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.384 31.558 -24.872 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.710 32.883 -25.205 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.635 31.175 -26.814 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.702 30.655 -25.425 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.164 31.463 -23.190 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.507 32.585 -22.867 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.841 30.866 -23.186 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.993 28.794 -26.360 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.558 29.175 -24.715 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.505 29.703 -26.126 1.00 0.00 H new ATOM 473 N ALA A 31 -14.347 33.689 -23.970 1.00 0.00 N ATOM 474 CA ALA A 31 -14.782 34.797 -23.121 1.00 0.00 C ATOM 475 C ALA A 31 -14.411 34.542 -21.650 1.00 0.00 C ATOM 476 O ALA A 31 -14.196 33.403 -21.235 1.00 0.00 O ATOM 477 CB ALA A 31 -16.287 35.010 -23.316 1.00 0.00 C ATOM 0 H ALA A 31 -15.001 32.906 -23.981 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.265 35.712 -23.411 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.622 35.835 -22.687 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.489 35.245 -24.361 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.822 34.102 -23.039 1.00 0.00 H new ATOM 483 N ARG A 32 -14.371 35.606 -20.846 1.00 0.00 N ATOM 484 CA ARG A 32 -14.259 35.544 -19.379 1.00 0.00 C ATOM 485 C ARG A 32 -15.544 36.031 -18.722 1.00 0.00 C ATOM 486 O ARG A 32 -16.239 36.888 -19.274 1.00 0.00 O ATOM 487 CB ARG A 32 -13.029 36.339 -18.902 1.00 0.00 C ATOM 488 CG ARG A 32 -11.778 35.454 -18.820 1.00 0.00 C ATOM 489 CD ARG A 32 -10.491 36.285 -18.819 1.00 0.00 C ATOM 490 NE ARG A 32 -10.281 37.057 -17.576 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.222 37.800 -17.303 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.170 37.831 -18.074 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.206 38.562 -16.255 1.00 0.00 N ATOM 0 H ARG A 32 -14.416 36.561 -21.201 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.116 34.506 -19.077 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.844 37.168 -19.585 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.233 36.772 -17.923 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.820 34.848 -17.915 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.765 34.765 -19.664 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.640 35.621 -18.971 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.513 36.973 -19.664 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.015 37.013 -16.869 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.144 37.268 -18.924 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.374 38.418 -17.827 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.014 38.592 -15.634 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.385 39.132 -16.051 1.00 0.00 H new ATOM 507 N TYR A 33 -15.824 35.521 -17.524 1.00 0.00 N ATOM 508 CA TYR A 33 -16.943 35.952 -16.687 1.00 0.00 C ATOM 509 C TYR A 33 -16.546 36.000 -15.206 1.00 0.00 C ATOM 510 O TYR A 33 -15.819 35.132 -14.721 1.00 0.00 O ATOM 511 CB TYR A 33 -18.154 35.031 -16.864 1.00 0.00 C ATOM 512 CG TYR A 33 -18.754 34.963 -18.251 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.150 34.190 -19.258 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.952 35.644 -18.513 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.767 34.078 -20.517 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.558 35.550 -19.774 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.992 34.730 -20.763 1.00 0.00 C ATOM 518 OH TYR A 33 -20.663 34.533 -21.921 1.00 0.00 O ATOM 0 H TYR A 33 -15.267 34.780 -17.098 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.214 36.957 -17.010 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.862 34.023 -16.569 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.932 35.353 -16.171 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.216 33.684 -19.066 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.410 36.243 -17.740 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.302 33.492 -21.296 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.459 36.108 -19.984 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.335 35.238 -22.034 1.00 0.00 H new ATOM 528 N ARG A 34 -17.047 37.010 -14.488 1.00 0.00 N ATOM 529 CA ARG A 34 -16.768 37.305 -13.074 1.00 0.00 C ATOM 530 C ARG A 34 -17.982 36.996 -12.200 1.00 0.00 C ATOM 531 O ARG A 34 -19.068 37.513 -12.458 1.00 0.00 O ATOM 532 CB ARG A 34 -16.346 38.780 -12.970 1.00 0.00 C ATOM 533 CG ARG A 34 -15.869 39.177 -11.567 1.00 0.00 C ATOM 534 CD ARG A 34 -15.292 40.596 -11.611 1.00 0.00 C ATOM 535 NE ARG A 34 -14.851 41.057 -10.280 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.621 41.080 -9.795 1.00 0.00 C ATOM 537 NH1 ARG A 34 -12.574 40.682 -10.460 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.414 41.522 -8.586 1.00 0.00 N ATOM 0 H ARG A 34 -17.695 37.683 -14.898 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.960 36.672 -12.708 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.547 38.974 -13.686 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.188 39.412 -13.253 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.699 39.131 -10.862 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.113 38.475 -11.215 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.449 40.623 -12.301 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.045 41.281 -12.001 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.584 41.399 -9.659 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.678 40.328 -11.411 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.650 40.725 -10.030 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.198 41.847 -8.021 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.468 41.543 -8.206 1.00 0.00 H new ATOM 552 N THR A 35 -17.800 36.161 -11.182 1.00 0.00 N ATOM 553 CA THR A 35 -18.853 35.727 -10.246 1.00 0.00 C ATOM 554 C THR A 35 -19.126 36.790 -9.181 1.00 0.00 C ATOM 555 O THR A 35 -18.447 37.818 -9.107 1.00 0.00 O ATOM 556 CB THR A 35 -18.518 34.409 -9.539 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.370 34.571 -8.759 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.300 33.253 -10.497 1.00 0.00 C ATOM 0 H THR A 35 -16.890 35.750 -10.972 1.00 0.00 H new ATOM 0 HA THR A 35 -19.740 35.575 -10.861 1.00 0.00 H new ATOM 0 HB THR A 35 -19.381 34.162 -8.921 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.599 34.735 -9.342 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.067 32.351 -9.931 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.205 33.090 -11.083 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.472 33.486 -11.166 1.00 0.00 H new ATOM 566 N ASP A 36 -20.085 36.525 -8.294 1.00 0.00 N ATOM 567 CA ASP A 36 -20.464 37.467 -7.241 1.00 0.00 C ATOM 568 C ASP A 36 -19.426 37.590 -6.109 1.00 0.00 C ATOM 569 O ASP A 36 -19.436 38.592 -5.390 1.00 0.00 O ATOM 570 CB ASP A 36 -21.857 37.094 -6.718 1.00 0.00 C ATOM 571 CG ASP A 36 -22.450 38.167 -5.786 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.732 39.292 -6.262 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.677 37.874 -4.587 1.00 0.00 O ATOM 0 H ASP A 36 -20.619 35.656 -8.285 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.494 38.464 -7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.529 36.941 -7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.798 36.146 -6.183 1.00 0.00 H new ATOM 578 N ASN A 37 -18.479 36.644 -5.983 1.00 0.00 N ATOM 579 CA ASN A 37 -17.346 36.807 -5.055 1.00 0.00 C ATOM 580 C ASN A 37 -16.131 37.511 -5.713 1.00 0.00 C ATOM 581 O ASN A 37 -15.076 37.641 -5.088 1.00 0.00 O ATOM 582 CB ASN A 37 -16.936 35.476 -4.414 1.00 0.00 C ATOM 583 CG ASN A 37 -18.056 34.527 -4.028 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.117 34.898 -3.546 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.816 33.252 -4.211 1.00 0.00 N ATOM 0 H ASN A 37 -18.474 35.768 -6.506 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.699 37.463 -4.260 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.274 34.956 -5.106 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.353 35.695 -3.519 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.517 32.559 -3.951 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.928 32.953 -4.614 1.00 0.00 H new ATOM 592 N GLY A 38 -16.248 37.914 -6.986 1.00 0.00 N ATOM 593 CA GLY A 38 -15.140 38.373 -7.832 1.00 0.00 C ATOM 594 C GLY A 38 -14.313 37.255 -8.467 1.00 0.00 C ATOM 595 O GLY A 38 -13.270 37.537 -9.057 1.00 0.00 O ATOM 0 H GLY A 38 -17.146 37.930 -7.470 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.544 39.003 -8.625 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.479 38.999 -7.233 1.00 0.00 H new ATOM 599 N GLU A 39 -14.738 35.996 -8.345 1.00 0.00 N ATOM 600 CA GLU A 39 -14.005 34.857 -8.916 1.00 0.00 C ATOM 601 C GLU A 39 -14.200 34.865 -10.438 1.00 0.00 C ATOM 602 O GLU A 39 -15.333 34.781 -10.912 1.00 0.00 O ATOM 603 CB GLU A 39 -14.455 33.509 -8.311 1.00 0.00 C ATOM 604 CG GLU A 39 -14.803 33.588 -6.820 1.00 0.00 C ATOM 605 CD GLU A 39 -14.569 32.312 -5.990 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.614 31.540 -6.250 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.337 32.120 -5.016 1.00 0.00 O ATOM 0 H GLU A 39 -15.592 35.735 -7.853 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.948 34.964 -8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.325 33.147 -8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.662 32.775 -8.451 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.220 34.395 -6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.853 33.866 -6.729 1.00 0.00 H new ATOM 614 N GLU A 40 -13.121 34.970 -11.207 1.00 0.00 N ATOM 615 CA GLU A 40 -13.183 35.011 -12.675 1.00 0.00 C ATOM 616 C GLU A 40 -12.797 33.668 -13.305 1.00 0.00 C ATOM 617 O GLU A 40 -11.771 33.068 -12.969 1.00 0.00 O ATOM 618 CB GLU A 40 -12.284 36.122 -13.239 1.00 0.00 C ATOM 619 CG GLU A 40 -12.970 37.482 -13.118 1.00 0.00 C ATOM 620 CD GLU A 40 -12.119 38.637 -13.663 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.478 38.476 -14.729 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.115 39.717 -13.027 1.00 0.00 O ATOM 0 H GLU A 40 -12.173 35.030 -10.835 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.220 35.224 -12.935 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.336 36.138 -12.702 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.055 35.916 -14.284 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.918 37.453 -13.655 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.202 37.673 -12.070 1.00 0.00 H new ATOM 629 N PHE A 41 -13.627 33.226 -14.254 1.00 0.00 N ATOM 630 CA PHE A 41 -13.462 31.993 -15.028 1.00 0.00 C ATOM 631 C PHE A 41 -13.528 32.264 -16.536 1.00 0.00 C ATOM 632 O PHE A 41 -14.020 33.305 -16.973 1.00 0.00 O ATOM 633 CB PHE A 41 -14.533 30.977 -14.608 1.00 0.00 C ATOM 634 CG PHE A 41 -14.405 30.508 -13.170 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.955 31.251 -12.104 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.691 29.325 -12.893 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.760 30.818 -10.786 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.490 28.904 -11.568 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.017 29.657 -10.510 1.00 0.00 C ATOM 0 H PHE A 41 -14.468 33.740 -14.515 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.475 31.581 -14.818 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.518 31.423 -14.748 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.478 30.112 -15.268 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.523 32.148 -12.303 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.295 28.736 -13.707 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.186 31.384 -9.971 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.931 28.003 -11.365 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.853 29.347 -9.488 1.00 0.00 H new ATOM 649 N GLU A 42 -13.059 31.308 -17.339 1.00 0.00 N ATOM 650 CA GLU A 42 -13.054 31.372 -18.799 1.00 0.00 C ATOM 651 C GLU A 42 -14.067 30.374 -19.371 1.00 0.00 C ATOM 652 O GLU A 42 -14.107 29.210 -18.961 1.00 0.00 O ATOM 653 CB GLU A 42 -11.655 31.107 -19.385 1.00 0.00 C ATOM 654 CG GLU A 42 -10.501 31.854 -18.697 1.00 0.00 C ATOM 655 CD GLU A 42 -9.762 30.961 -17.678 1.00 0.00 C ATOM 656 OE1 GLU A 42 -8.834 30.217 -18.082 1.00 0.00 O ATOM 657 OE2 GLU A 42 -10.089 31.002 -16.467 1.00 0.00 O ATOM 0 H GLU A 42 -12.660 30.441 -16.979 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.339 32.384 -19.085 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.455 30.037 -19.334 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.664 31.379 -20.440 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.796 32.205 -19.450 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.891 32.737 -18.190 1.00 0.00 H new ATOM 664 N VAL A 43 -14.869 30.823 -20.335 1.00 0.00 N ATOM 665 CA VAL A 43 -15.878 30.012 -21.031 1.00 0.00 C ATOM 666 C VAL A 43 -15.559 29.954 -22.534 1.00 0.00 C ATOM 667 O VAL A 43 -15.679 30.974 -23.222 1.00 0.00 O ATOM 668 CB VAL A 43 -17.307 30.520 -20.783 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.330 29.561 -21.401 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.629 30.674 -19.291 1.00 0.00 C ATOM 0 H VAL A 43 -14.837 31.787 -20.666 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.835 29.003 -20.622 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.367 31.503 -21.251 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.337 29.935 -21.217 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.160 29.491 -22.475 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.222 28.574 -20.951 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.651 31.036 -19.175 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.527 29.709 -18.795 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.938 31.387 -18.841 1.00 0.00 H new ATOM 680 N PRO A 44 -15.136 28.792 -23.066 1.00 0.00 N ATOM 681 CA PRO A 44 -14.977 28.577 -24.501 1.00 0.00 C ATOM 682 C PRO A 44 -16.344 28.446 -25.202 1.00 0.00 C ATOM 683 O PRO A 44 -17.190 27.643 -24.800 1.00 0.00 O ATOM 684 CB PRO A 44 -14.143 27.295 -24.628 1.00 0.00 C ATOM 685 CG PRO A 44 -14.466 26.512 -23.356 1.00 0.00 C ATOM 686 CD PRO A 44 -14.753 27.600 -22.321 1.00 0.00 C ATOM 0 HA PRO A 44 -14.484 29.419 -24.987 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.412 26.732 -25.522 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.078 27.518 -24.699 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.326 25.857 -23.497 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.631 25.881 -23.052 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.551 27.292 -21.646 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.873 27.793 -21.707 1.00 0.00 H new ATOM 694 N PHE A 45 -16.535 29.203 -26.282 1.00 0.00 N ATOM 695 CA PHE A 45 -17.713 29.160 -27.167 1.00 0.00 C ATOM 696 C PHE A 45 -17.322 28.793 -28.599 1.00 0.00 C ATOM 697 O PHE A 45 -16.336 29.303 -29.119 1.00 0.00 O ATOM 698 CB PHE A 45 -18.418 30.523 -27.180 1.00 0.00 C ATOM 699 CG PHE A 45 -19.265 30.806 -25.956 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.679 31.394 -24.822 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.643 30.506 -25.955 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.467 31.696 -23.702 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.425 30.789 -24.819 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.834 31.382 -23.689 1.00 0.00 C ATOM 0 H PHE A 45 -15.848 29.894 -26.582 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.385 28.395 -26.778 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.665 31.306 -27.274 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.051 30.582 -28.065 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.622 31.613 -24.813 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.099 30.059 -26.826 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.018 32.174 -22.844 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.478 30.551 -24.815 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.431 31.595 -22.814 1.00 0.00 H new ATOM 714 N ALA A 46 -18.122 27.983 -29.283 1.00 0.00 N ATOM 715 CA ALA A 46 -17.904 27.619 -30.687 1.00 0.00 C ATOM 716 C ALA A 46 -18.424 28.712 -31.637 1.00 0.00 C ATOM 717 O ALA A 46 -19.289 29.503 -31.263 1.00 0.00 O ATOM 718 CB ALA A 46 -18.568 26.262 -30.952 1.00 0.00 C ATOM 0 H ALA A 46 -18.953 27.552 -28.877 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.835 27.533 -30.881 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.414 25.979 -31.993 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.126 25.507 -30.301 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.637 26.334 -30.750 1.00 0.00 H new ATOM 724 N ASP A 47 -17.944 28.742 -32.881 1.00 0.00 N ATOM 725 CA ASP A 47 -18.364 29.696 -33.926 1.00 0.00 C ATOM 726 C ASP A 47 -19.872 29.621 -34.266 1.00 0.00 C ATOM 727 O ASP A 47 -20.451 30.578 -34.783 1.00 0.00 O ATOM 728 CB ASP A 47 -17.499 29.446 -35.172 1.00 0.00 C ATOM 729 CG ASP A 47 -17.775 30.453 -36.303 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.411 31.644 -36.155 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.316 30.046 -37.359 1.00 0.00 O ATOM 0 H ASP A 47 -17.232 28.088 -33.205 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.214 30.707 -33.546 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.446 29.499 -34.894 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.682 28.436 -35.539 1.00 0.00 H new ATOM 736 N ASP A 48 -20.530 28.504 -33.933 1.00 0.00 N ATOM 737 CA ASP A 48 -21.988 28.326 -34.025 1.00 0.00 C ATOM 738 C ASP A 48 -22.776 29.119 -32.951 1.00 0.00 C ATOM 739 O ASP A 48 -23.994 29.282 -33.061 1.00 0.00 O ATOM 740 CB ASP A 48 -22.281 26.822 -33.927 1.00 0.00 C ATOM 741 CG ASP A 48 -23.747 26.472 -34.238 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.194 26.693 -35.391 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.447 25.929 -33.348 1.00 0.00 O ATOM 0 H ASP A 48 -20.051 27.675 -33.582 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.327 28.730 -34.979 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.631 26.285 -34.618 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.036 26.475 -32.923 1.00 0.00 H new ATOM 748 N ALA A 49 -22.083 29.627 -31.926 1.00 0.00 N ATOM 749 CA ALA A 49 -22.623 30.389 -30.796 1.00 0.00 C ATOM 750 C ALA A 49 -22.009 31.803 -30.687 1.00 0.00 C ATOM 751 O ALA A 49 -20.924 32.075 -31.204 1.00 0.00 O ATOM 752 CB ALA A 49 -22.385 29.577 -29.515 1.00 0.00 C ATOM 0 H ALA A 49 -21.072 29.510 -31.860 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.691 30.544 -30.952 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.779 30.124 -28.659 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.891 28.615 -29.595 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.316 29.414 -29.381 1.00 0.00 H new ATOM 758 N GLU A 50 -22.689 32.699 -29.966 1.00 0.00 N ATOM 759 CA GLU A 50 -22.204 34.044 -29.613 1.00 0.00 C ATOM 760 C GLU A 50 -22.396 34.326 -28.116 1.00 0.00 C ATOM 761 O GLU A 50 -23.411 33.948 -27.529 1.00 0.00 O ATOM 762 CB GLU A 50 -22.909 35.127 -30.447 1.00 0.00 C ATOM 763 CG GLU A 50 -22.396 35.167 -31.890 1.00 0.00 C ATOM 764 CD GLU A 50 -23.154 36.223 -32.718 1.00 0.00 C ATOM 765 OE1 GLU A 50 -22.725 37.403 -32.748 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.185 35.883 -33.350 1.00 0.00 O ATOM 0 H GLU A 50 -23.621 32.506 -29.599 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.138 34.074 -29.838 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -23.983 34.940 -30.449 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.756 36.100 -29.981 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.330 35.393 -31.894 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.515 34.186 -32.349 1.00 0.00 H new ATOM 773 N ILE A 51 -21.413 35.009 -27.524 1.00 0.00 N ATOM 774 CA ILE A 51 -21.250 35.301 -26.091 1.00 0.00 C ATOM 775 C ILE A 51 -22.465 36.062 -25.531 1.00 0.00 C ATOM 776 O ILE A 51 -22.669 37.237 -25.862 1.00 0.00 O ATOM 777 CB ILE A 51 -19.957 36.111 -25.813 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.738 35.657 -26.653 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.610 36.082 -24.311 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.296 34.204 -26.464 1.00 0.00 C ATOM 0 H ILE A 51 -20.650 35.404 -28.073 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.172 34.339 -25.585 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.176 37.133 -26.122 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -18.971 35.811 -27.707 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.896 36.306 -26.414 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.700 36.656 -24.137 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.429 36.519 -23.740 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.455 35.051 -23.993 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.436 34.000 -27.101 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.023 34.039 -25.422 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.114 33.537 -26.734 1.00 0.00 H new ATOM 792 N PRO A 52 -23.277 35.419 -24.682 1.00 0.00 N ATOM 793 CA PRO A 52 -24.324 36.083 -23.921 1.00 0.00 C ATOM 794 C PRO A 52 -23.716 36.949 -22.806 1.00 0.00 C ATOM 795 O PRO A 52 -22.658 36.630 -22.257 1.00 0.00 O ATOM 796 CB PRO A 52 -25.194 34.948 -23.382 1.00 0.00 C ATOM 797 CG PRO A 52 -24.220 33.780 -23.234 1.00 0.00 C ATOM 798 CD PRO A 52 -23.174 34.019 -24.317 1.00 0.00 C ATOM 0 HA PRO A 52 -24.916 36.772 -24.523 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.650 35.212 -22.428 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.007 34.707 -24.067 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.768 33.763 -22.242 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.723 32.823 -23.372 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.174 33.786 -23.950 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.355 33.378 -25.180 1.00 0.00 H new ATOM 806 N GLY A 53 -24.406 38.037 -22.453 1.00 0.00 N ATOM 807 CA GLY A 53 -24.004 39.008 -21.419 1.00 0.00 C ATOM 808 C GLY A 53 -23.604 38.399 -20.066 1.00 0.00 C ATOM 809 O GLY A 53 -22.749 38.950 -19.370 1.00 0.00 O ATOM 0 H GLY A 53 -25.294 38.279 -22.893 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.165 39.591 -21.798 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.828 39.703 -21.257 1.00 0.00 H new ATOM 813 N THR A 54 -24.180 37.250 -19.696 1.00 0.00 N ATOM 814 CA THR A 54 -23.760 36.464 -18.529 1.00 0.00 C ATOM 815 C THR A 54 -23.779 34.948 -18.804 1.00 0.00 C ATOM 816 O THR A 54 -24.443 34.481 -19.735 1.00 0.00 O ATOM 817 CB THR A 54 -24.682 36.728 -17.318 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.018 36.373 -17.625 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.768 38.193 -16.896 1.00 0.00 C ATOM 0 H THR A 54 -24.960 36.834 -20.204 1.00 0.00 H new ATOM 0 HA THR A 54 -22.740 36.781 -18.313 1.00 0.00 H new ATOM 0 HB THR A 54 -24.237 36.135 -16.519 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.589 36.545 -16.847 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.436 38.286 -16.040 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.776 38.552 -16.623 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.154 38.788 -17.724 1.00 0.00 H new ATOM 827 N TRP A 55 -23.043 34.169 -17.999 1.00 0.00 N ATOM 828 CA TRP A 55 -22.901 32.707 -18.118 1.00 0.00 C ATOM 829 C TRP A 55 -22.467 32.062 -16.787 1.00 0.00 C ATOM 830 O TRP A 55 -21.750 32.676 -15.997 1.00 0.00 O ATOM 831 CB TRP A 55 -21.883 32.381 -19.216 1.00 0.00 C ATOM 832 CG TRP A 55 -21.840 30.947 -19.637 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.025 30.004 -19.123 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.622 30.267 -20.664 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.208 28.809 -19.783 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.196 28.906 -20.739 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.637 30.671 -21.554 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.747 27.996 -21.654 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.207 29.767 -22.471 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.763 28.431 -22.524 1.00 0.00 C ATOM 0 H TRP A 55 -22.510 34.551 -17.218 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.875 32.293 -18.379 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.106 32.993 -20.090 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.892 32.671 -18.868 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.330 30.163 -18.312 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.679 27.959 -19.589 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.984 31.693 -21.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.396 26.975 -21.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.989 30.100 -23.137 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.202 27.742 -23.231 1.00 0.00 H new ATOM 851 N LEU A 56 -22.893 30.825 -16.511 1.00 0.00 N ATOM 852 CA LEU A 56 -22.560 30.107 -15.273 1.00 0.00 C ATOM 853 C LEU A 56 -21.071 29.705 -15.222 1.00 0.00 C ATOM 854 O LEU A 56 -20.562 29.036 -16.125 1.00 0.00 O ATOM 855 CB LEU A 56 -23.496 28.890 -15.125 1.00 0.00 C ATOM 856 CG LEU A 56 -24.135 28.756 -13.733 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.219 27.678 -13.754 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.115 28.366 -12.668 1.00 0.00 C ATOM 0 H LEU A 56 -23.484 30.288 -17.145 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.716 30.774 -14.425 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.287 28.961 -15.871 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.932 27.983 -15.343 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.554 29.732 -13.486 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.665 27.591 -12.763 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.989 27.950 -14.476 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.777 26.723 -14.038 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.612 28.283 -11.701 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.665 27.408 -12.928 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.338 29.128 -12.612 1.00 0.00 H new ATOM 870 N CYS A 57 -20.380 30.089 -14.151 1.00 0.00 N ATOM 871 CA CYS A 57 -18.958 29.809 -13.932 1.00 0.00 C ATOM 872 C CYS A 57 -18.724 28.509 -13.147 1.00 0.00 C ATOM 873 O CYS A 57 -19.612 28.018 -12.445 1.00 0.00 O ATOM 874 CB CYS A 57 -18.317 31.000 -13.212 1.00 0.00 C ATOM 875 SG CYS A 57 -18.197 32.414 -14.335 1.00 0.00 S ATOM 0 H CYS A 57 -20.803 30.618 -13.389 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.490 29.666 -14.906 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.910 31.269 -12.338 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.325 30.726 -12.852 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.654 33.418 -13.712 1.00 0.00 H new ATOM 881 N ARG A 58 -17.490 27.981 -13.195 1.00 0.00 N ATOM 882 CA ARG A 58 -17.117 26.703 -12.553 1.00 0.00 C ATOM 883 C ARG A 58 -17.147 26.734 -11.015 1.00 0.00 C ATOM 884 O ARG A 58 -17.186 25.676 -10.386 1.00 0.00 O ATOM 885 CB ARG A 58 -15.750 26.207 -13.060 1.00 0.00 C ATOM 886 CG ARG A 58 -15.655 26.098 -14.593 1.00 0.00 C ATOM 887 CD ARG A 58 -14.313 25.511 -15.057 1.00 0.00 C ATOM 888 NE ARG A 58 -14.127 24.106 -14.634 1.00 0.00 N ATOM 889 CZ ARG A 58 -14.583 23.018 -15.230 1.00 0.00 C ATOM 890 NH1 ARG A 58 -15.296 23.066 -16.321 1.00 0.00 N ATOM 891 NH2 ARG A 58 -14.329 21.841 -14.734 1.00 0.00 N ATOM 0 H ARG A 58 -16.715 28.430 -13.683 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.891 25.995 -12.850 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.974 26.885 -12.705 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.544 25.230 -12.623 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.468 25.473 -14.961 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.788 27.086 -15.034 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.252 25.570 -16.144 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.499 26.117 -14.659 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.584 23.960 -13.783 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.520 23.966 -16.745 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.629 22.203 -16.751 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.776 21.755 -13.881 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.683 21.005 -15.198 1.00 0.00 H new ATOM 905 N ASN A 59 -17.201 27.925 -10.407 1.00 0.00 N ATOM 906 CA ASN A 59 -17.463 28.107 -8.970 1.00 0.00 C ATOM 907 C ASN A 59 -18.906 27.703 -8.565 1.00 0.00 C ATOM 908 O ASN A 59 -19.199 27.479 -7.390 1.00 0.00 O ATOM 909 CB ASN A 59 -17.179 29.584 -8.642 1.00 0.00 C ATOM 910 CG ASN A 59 -17.385 30.006 -7.194 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.187 29.259 -6.247 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.729 31.258 -6.981 1.00 0.00 N ATOM 0 H ASN A 59 -17.062 28.804 -10.905 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.813 27.448 -8.395 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.148 29.804 -8.919 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.817 30.203 -9.273 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.830 31.604 -6.027 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.895 31.883 -7.770 1.00 0.00 H new ATOM 919 N GLY A 60 -19.812 27.592 -9.541 1.00 0.00 N ATOM 920 CA GLY A 60 -21.241 27.319 -9.345 1.00 0.00 C ATOM 921 C GLY A 60 -22.096 28.584 -9.202 1.00 0.00 C ATOM 922 O GLY A 60 -23.257 28.489 -8.801 1.00 0.00 O ATOM 0 H GLY A 60 -19.563 27.693 -10.525 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.609 26.735 -10.189 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.366 26.704 -8.454 1.00 0.00 H new ATOM 926 N MET A 61 -21.539 29.761 -9.526 1.00 0.00 N ATOM 927 CA MET A 61 -22.234 31.052 -9.512 1.00 0.00 C ATOM 928 C MET A 61 -22.369 31.628 -10.927 1.00 0.00 C ATOM 929 O MET A 61 -21.499 31.434 -11.777 1.00 0.00 O ATOM 930 CB MET A 61 -21.497 32.012 -8.558 1.00 0.00 C ATOM 931 CG MET A 61 -22.309 33.269 -8.210 1.00 0.00 C ATOM 932 SD MET A 61 -23.969 32.956 -7.538 1.00 0.00 S ATOM 933 CE MET A 61 -24.580 34.655 -7.374 1.00 0.00 C ATOM 0 H MET A 61 -20.563 29.840 -9.813 1.00 0.00 H new ATOM 0 HA MET A 61 -23.250 30.913 -9.144 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.251 31.481 -7.638 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.554 32.313 -9.014 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.746 33.857 -7.485 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.407 33.879 -9.108 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.628 34.637 -7.074 1.00 0.00 H new ATOM 0 HE2 MET A 61 -23.995 35.181 -6.619 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.485 35.170 -8.330 1.00 0.00 H new ATOM 943 N GLU A 62 -23.450 32.363 -11.182 1.00 0.00 N ATOM 944 CA GLU A 62 -23.659 33.096 -12.435 1.00 0.00 C ATOM 945 C GLU A 62 -22.624 34.225 -12.572 1.00 0.00 C ATOM 946 O GLU A 62 -22.647 35.207 -11.824 1.00 0.00 O ATOM 947 CB GLU A 62 -25.096 33.640 -12.510 1.00 0.00 C ATOM 948 CG GLU A 62 -26.132 32.514 -12.636 1.00 0.00 C ATOM 949 CD GLU A 62 -27.559 33.085 -12.746 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.213 33.305 -11.697 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.043 33.312 -13.882 1.00 0.00 O ATOM 0 H GLU A 62 -24.217 32.469 -10.518 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.521 32.410 -13.271 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.308 34.229 -11.618 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.185 34.312 -13.364 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.910 31.908 -13.515 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.066 31.856 -11.770 1.00 0.00 H new ATOM 958 N GLY A 63 -21.691 34.064 -13.510 1.00 0.00 N ATOM 959 CA GLY A 63 -20.687 35.064 -13.856 1.00 0.00 C ATOM 960 C GLY A 63 -21.199 36.076 -14.884 1.00 0.00 C ATOM 961 O GLY A 63 -21.987 35.733 -15.768 1.00 0.00 O ATOM 0 H GLY A 63 -21.612 33.211 -14.064 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.378 35.592 -12.954 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.803 34.565 -14.252 1.00 0.00 H new ATOM 965 N THR A 64 -20.705 37.312 -14.823 1.00 0.00 N ATOM 966 CA THR A 64 -20.990 38.362 -15.816 1.00 0.00 C ATOM 967 C THR A 64 -19.781 38.628 -16.703 1.00 0.00 C ATOM 968 O THR A 64 -18.654 38.645 -16.215 1.00 0.00 O ATOM 969 CB THR A 64 -21.439 39.668 -15.142 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.572 39.427 -14.332 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.821 40.763 -16.145 1.00 0.00 C ATOM 0 H THR A 64 -20.086 37.622 -14.074 1.00 0.00 H new ATOM 0 HA THR A 64 -21.806 37.996 -16.439 1.00 0.00 H new ATOM 0 HB THR A 64 -20.586 40.012 -14.557 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.852 40.263 -13.904 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.129 41.659 -15.606 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.962 40.995 -16.775 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.644 40.414 -16.769 1.00 0.00 H new ATOM 979 N LEU A 65 -20.012 38.809 -18.004 1.00 0.00 N ATOM 980 CA LEU A 65 -18.988 38.995 -19.033 1.00 0.00 C ATOM 981 C LEU A 65 -18.136 40.248 -18.734 1.00 0.00 C ATOM 982 O LEU A 65 -18.671 41.356 -18.644 1.00 0.00 O ATOM 983 CB LEU A 65 -19.733 39.051 -20.384 1.00 0.00 C ATOM 984 CG LEU A 65 -18.931 38.890 -21.690 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.858 39.237 -22.859 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.679 39.756 -21.826 1.00 0.00 C ATOM 0 H LEU A 65 -20.958 38.831 -18.386 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.270 38.175 -19.058 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.497 38.274 -20.370 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.252 40.008 -20.433 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.579 37.858 -21.685 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.315 39.131 -23.798 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.714 38.562 -22.857 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.206 40.265 -22.755 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.200 39.555 -22.784 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -17.957 40.809 -21.773 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -16.986 39.523 -21.018 1.00 0.00 H new