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= 0.996 K(o=0.99,f=-0.0021) USER MOD Set 1.2: A 59 ASN : amide:sc=-0.00889 X(o=0.99,f=0.98) USER MOD Single : A 29 GLN : amide:sc= 0.517 K(o=0.52,f=0) USER MOD Single : A 33 TYR OH : rot -166:sc= 0.45 USER MOD Single : A 35 THR OG1 : rot -67:sc= 0.261 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.66 USER MOD Single : A 61 MET CE :methyl 176:sc= 0 (180deg=-0.0419) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 437 N GLN A 29 -14.270 31.028 -29.490 1.00 0.00 N ATOM 438 CA GLN A 29 -14.244 32.319 -28.793 1.00 0.00 C ATOM 439 C GLN A 29 -14.219 32.097 -27.272 1.00 0.00 C ATOM 440 O GLN A 29 -15.235 31.794 -26.651 1.00 0.00 O ATOM 441 CB GLN A 29 -15.497 33.150 -29.136 1.00 0.00 C ATOM 442 CG GLN A 29 -15.783 33.350 -30.634 1.00 0.00 C ATOM 443 CD GLN A 29 -17.152 32.802 -31.017 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.001 33.485 -31.574 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.408 31.547 -30.714 1.00 0.00 N ATOM 0 HA GLN A 29 -13.349 32.852 -29.114 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.363 32.669 -28.682 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.397 34.131 -28.671 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.733 34.411 -30.877 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.012 32.852 -31.223 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.699 30.980 -30.250 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.316 31.142 -30.943 1.00 0.00 H new ATOM 454 N ILE A 30 -13.056 32.237 -26.647 1.00 0.00 N ATOM 455 CA ILE A 30 -12.902 32.184 -25.193 1.00 0.00 C ATOM 456 C ILE A 30 -13.243 33.562 -24.619 1.00 0.00 C ATOM 457 O ILE A 30 -12.504 34.531 -24.812 1.00 0.00 O ATOM 458 CB ILE A 30 -11.485 31.708 -24.813 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.210 30.240 -25.209 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.280 31.798 -23.287 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.293 29.851 -26.689 1.00 0.00 C ATOM 0 H ILE A 30 -12.178 32.393 -27.142 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.588 31.455 -24.761 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.804 32.361 -25.358 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.212 29.983 -24.855 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.913 29.612 -24.662 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.275 31.459 -23.034 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.406 32.831 -22.963 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -12.013 31.168 -22.784 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.074 28.789 -26.799 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.296 30.055 -27.063 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.568 30.432 -27.259 1.00 0.00 H new ATOM 473 N ALA A 31 -14.369 33.649 -23.920 1.00 0.00 N ATOM 474 CA ALA A 31 -14.736 34.781 -23.072 1.00 0.00 C ATOM 475 C ALA A 31 -14.386 34.512 -21.596 1.00 0.00 C ATOM 476 O ALA A 31 -14.172 33.370 -21.186 1.00 0.00 O ATOM 477 CB ALA A 31 -16.226 35.075 -23.272 1.00 0.00 C ATOM 0 H ALA A 31 -15.074 32.912 -23.927 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.161 35.661 -23.359 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.518 35.918 -22.646 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.412 35.319 -24.318 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.810 34.198 -22.995 1.00 0.00 H new ATOM 483 N ARG A 32 -14.351 35.573 -20.787 1.00 0.00 N ATOM 484 CA ARG A 32 -14.219 35.518 -19.321 1.00 0.00 C ATOM 485 C ARG A 32 -15.485 36.031 -18.649 1.00 0.00 C ATOM 486 O ARG A 32 -16.137 36.934 -19.169 1.00 0.00 O ATOM 487 CB ARG A 32 -12.985 36.318 -18.869 1.00 0.00 C ATOM 488 CG ARG A 32 -11.735 35.437 -18.777 1.00 0.00 C ATOM 489 CD ARG A 32 -10.458 36.283 -18.790 1.00 0.00 C ATOM 490 NE ARG A 32 -10.260 37.074 -17.557 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.216 37.842 -17.296 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.179 37.896 -18.083 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.204 38.593 -16.238 1.00 0.00 N ATOM 0 H ARG A 32 -14.416 36.527 -21.141 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.081 34.480 -19.019 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.804 37.133 -19.570 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.182 36.771 -17.897 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.772 34.844 -17.863 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.719 34.736 -19.612 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.599 35.627 -18.933 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.489 36.959 -19.644 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.991 37.023 -16.847 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.154 37.334 -18.934 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.392 38.501 -17.849 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.002 38.593 -15.603 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.396 39.184 -16.041 1.00 0.00 H new ATOM 507 N TYR A 33 -15.793 35.506 -17.467 1.00 0.00 N ATOM 508 CA TYR A 33 -16.913 35.952 -16.639 1.00 0.00 C ATOM 509 C TYR A 33 -16.523 36.004 -15.155 1.00 0.00 C ATOM 510 O TYR A 33 -15.780 35.149 -14.672 1.00 0.00 O ATOM 511 CB TYR A 33 -18.131 35.044 -16.833 1.00 0.00 C ATOM 512 CG TYR A 33 -18.704 34.975 -18.230 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.095 34.179 -19.217 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.880 35.680 -18.526 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.678 34.077 -20.493 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.456 35.596 -19.803 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.876 34.765 -20.777 1.00 0.00 C ATOM 518 OH TYR A 33 -20.503 34.606 -21.967 1.00 0.00 O ATOM 0 H TYR A 33 -15.261 34.743 -17.048 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.175 36.961 -16.959 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.857 34.035 -16.526 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.918 35.379 -16.157 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.182 33.647 -18.995 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.345 36.291 -17.767 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.209 33.472 -21.255 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.342 36.168 -20.037 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.176 35.309 -22.078 1.00 0.00 H new ATOM 528 N ARG A 34 -17.037 37.008 -14.439 1.00 0.00 N ATOM 529 CA ARG A 34 -16.776 37.301 -13.020 1.00 0.00 C ATOM 530 C ARG A 34 -18.002 36.994 -12.161 1.00 0.00 C ATOM 531 O ARG A 34 -19.085 37.512 -12.432 1.00 0.00 O ATOM 532 CB ARG A 34 -16.348 38.774 -12.908 1.00 0.00 C ATOM 533 CG ARG A 34 -15.876 39.163 -11.500 1.00 0.00 C ATOM 534 CD ARG A 34 -15.283 40.574 -11.536 1.00 0.00 C ATOM 535 NE ARG A 34 -14.851 41.027 -10.200 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.624 41.047 -9.705 1.00 0.00 C ATOM 537 NH1 ARG A 34 -12.571 40.656 -10.364 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.427 41.481 -8.492 1.00 0.00 N ATOM 0 H ARG A 34 -17.684 37.678 -14.854 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.975 36.664 -12.644 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.545 38.967 -13.619 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.185 39.411 -13.192 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.711 39.125 -10.801 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.130 38.452 -11.145 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.432 40.592 -12.217 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.024 41.268 -11.932 1.00 0.00 H new ATOM 0 HE ARG A 34 -15.588 41.366 -9.582 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.666 40.309 -11.319 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.651 40.696 -9.926 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.216 41.802 -7.931 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.484 41.499 -8.104 1.00 0.00 H new ATOM 552 N THR A 35 -17.833 36.161 -11.139 1.00 0.00 N ATOM 553 CA THR A 35 -18.897 35.718 -10.218 1.00 0.00 C ATOM 554 C THR A 35 -19.184 36.768 -9.146 1.00 0.00 C ATOM 555 O THR A 35 -18.517 37.802 -9.059 1.00 0.00 O ATOM 556 CB THR A 35 -18.559 34.394 -9.519 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.423 34.560 -8.725 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.327 33.247 -10.483 1.00 0.00 C ATOM 0 H THR A 35 -16.924 35.757 -10.914 1.00 0.00 H new ATOM 0 HA THR A 35 -19.779 35.572 -10.842 1.00 0.00 H new ATOM 0 HB THR A 35 -19.426 34.133 -8.912 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.646 34.729 -9.297 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.093 32.342 -9.922 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.226 33.083 -11.077 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.495 33.490 -11.144 1.00 0.00 H new ATOM 566 N ASP A 36 -20.147 36.484 -8.267 1.00 0.00 N ATOM 567 CA ASP A 36 -20.543 37.412 -7.212 1.00 0.00 C ATOM 568 C ASP A 36 -19.514 37.538 -6.072 1.00 0.00 C ATOM 569 O ASP A 36 -19.538 38.537 -5.349 1.00 0.00 O ATOM 570 CB ASP A 36 -21.935 37.019 -6.699 1.00 0.00 C ATOM 571 CG ASP A 36 -22.548 38.081 -5.769 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.838 39.206 -6.243 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.781 37.782 -4.573 1.00 0.00 O ATOM 0 H ASP A 36 -20.670 35.609 -8.268 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.583 38.411 -7.646 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.599 36.859 -7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.867 36.071 -6.166 1.00 0.00 H new ATOM 578 N ASN A 37 -18.559 36.599 -5.944 1.00 0.00 N ATOM 579 CA ASN A 37 -17.437 36.766 -5.005 1.00 0.00 C ATOM 580 C ASN A 37 -16.215 37.469 -5.649 1.00 0.00 C ATOM 581 O ASN A 37 -15.161 37.585 -5.019 1.00 0.00 O ATOM 582 CB ASN A 37 -17.041 35.438 -4.348 1.00 0.00 C ATOM 583 CG ASN A 37 -18.169 34.491 -3.985 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.231 34.862 -3.503 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.939 33.217 -4.191 1.00 0.00 N ATOM 0 H ASN A 37 -18.542 35.727 -6.473 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.796 37.429 -4.217 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.362 34.915 -5.021 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.480 35.662 -3.441 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.648 32.525 -3.949 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.051 32.918 -4.593 1.00 0.00 H new ATOM 592 N GLY A 38 -16.323 37.888 -6.917 1.00 0.00 N ATOM 593 CA GLY A 38 -15.208 38.356 -7.751 1.00 0.00 C ATOM 594 C GLY A 38 -14.371 37.245 -8.383 1.00 0.00 C ATOM 595 O GLY A 38 -13.325 37.532 -8.963 1.00 0.00 O ATOM 0 H GLY A 38 -17.218 37.911 -7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.607 38.988 -8.545 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.555 38.982 -7.143 1.00 0.00 H new ATOM 599 N GLU A 39 -14.796 35.985 -8.269 1.00 0.00 N ATOM 600 CA GLU A 39 -14.057 34.848 -8.835 1.00 0.00 C ATOM 601 C GLU A 39 -14.236 34.861 -10.358 1.00 0.00 C ATOM 602 O GLU A 39 -15.365 34.783 -10.844 1.00 0.00 O ATOM 603 CB GLU A 39 -14.514 33.502 -8.236 1.00 0.00 C ATOM 604 CG GLU A 39 -14.873 33.576 -6.746 1.00 0.00 C ATOM 605 CD GLU A 39 -14.648 32.296 -5.922 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.664 31.550 -6.149 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.455 32.071 -4.987 1.00 0.00 O ATOM 0 H GLU A 39 -15.655 35.722 -7.786 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.002 34.952 -8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.381 33.144 -8.791 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.721 32.766 -8.373 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.291 34.379 -6.294 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.923 33.856 -6.661 1.00 0.00 H new ATOM 614 N GLU A 40 -13.150 34.967 -11.117 1.00 0.00 N ATOM 615 CA GLU A 40 -13.193 35.019 -12.586 1.00 0.00 C ATOM 616 C GLU A 40 -12.803 33.679 -13.220 1.00 0.00 C ATOM 617 O GLU A 40 -11.780 33.079 -12.874 1.00 0.00 O ATOM 618 CB GLU A 40 -12.277 36.125 -13.133 1.00 0.00 C ATOM 619 CG GLU A 40 -12.950 37.492 -13.026 1.00 0.00 C ATOM 620 CD GLU A 40 -12.076 38.635 -13.565 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.418 38.462 -14.619 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.073 39.718 -12.935 1.00 0.00 O ATOM 0 H GLU A 40 -12.206 35.020 -10.734 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.225 35.242 -12.855 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.338 36.133 -12.579 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.031 35.917 -14.174 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.891 37.472 -13.575 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.194 37.690 -11.982 1.00 0.00 H new ATOM 629 N PHE A 41 -13.619 33.242 -14.181 1.00 0.00 N ATOM 630 CA PHE A 41 -13.444 32.005 -14.947 1.00 0.00 C ATOM 631 C PHE A 41 -13.539 32.245 -16.456 1.00 0.00 C ATOM 632 O PHE A 41 -14.062 33.264 -16.911 1.00 0.00 O ATOM 633 CB PHE A 41 -14.492 30.980 -14.501 1.00 0.00 C ATOM 634 CG PHE A 41 -14.338 30.547 -13.056 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.956 31.266 -12.012 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.524 29.439 -12.752 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.753 30.865 -10.686 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.317 29.049 -11.418 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.930 29.768 -10.381 1.00 0.00 C ATOM 0 H PHE A 41 -14.453 33.760 -14.458 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.443 31.621 -14.748 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.486 31.404 -14.641 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.427 30.102 -15.144 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.581 32.119 -12.233 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.055 28.884 -13.551 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.236 31.407 -9.886 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.689 28.200 -11.192 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.770 29.479 -9.353 1.00 0.00 H new ATOM 649 N GLU A 42 -13.058 31.279 -17.237 1.00 0.00 N ATOM 650 CA GLU A 42 -13.036 31.321 -18.701 1.00 0.00 C ATOM 651 C GLU A 42 -14.031 30.321 -19.308 1.00 0.00 C ATOM 652 O GLU A 42 -14.096 29.161 -18.887 1.00 0.00 O ATOM 653 CB GLU A 42 -11.625 31.062 -19.264 1.00 0.00 C ATOM 654 CG GLU A 42 -10.477 31.818 -18.574 1.00 0.00 C ATOM 655 CD GLU A 42 -9.778 30.955 -17.502 1.00 0.00 C ATOM 656 OE1 GLU A 42 -8.835 30.203 -17.849 1.00 0.00 O ATOM 657 OE2 GLU A 42 -10.155 31.025 -16.307 1.00 0.00 O ATOM 0 H GLU A 42 -12.661 30.419 -16.859 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.337 32.329 -18.985 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.420 29.993 -19.201 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.623 31.325 -20.322 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.747 32.129 -19.321 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.866 32.725 -18.112 1.00 0.00 H new ATOM 664 N VAL A 43 -14.775 30.758 -20.325 1.00 0.00 N ATOM 665 CA VAL A 43 -15.769 29.953 -21.059 1.00 0.00 C ATOM 666 C VAL A 43 -15.476 29.964 -22.572 1.00 0.00 C ATOM 667 O VAL A 43 -15.670 30.995 -23.224 1.00 0.00 O ATOM 668 CB VAL A 43 -17.202 30.448 -20.786 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.235 29.519 -21.436 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.521 30.553 -19.289 1.00 0.00 C ATOM 0 H VAL A 43 -14.705 31.713 -20.677 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.691 28.927 -20.699 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.259 31.446 -21.221 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.239 29.890 -21.229 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.073 29.492 -22.514 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.128 28.514 -21.028 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.544 30.907 -19.159 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.414 29.573 -18.825 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.832 31.254 -18.818 1.00 0.00 H new ATOM 680 N PRO A 44 -15.032 28.835 -23.159 1.00 0.00 N ATOM 681 CA PRO A 44 -14.933 28.653 -24.604 1.00 0.00 C ATOM 682 C PRO A 44 -16.312 28.461 -25.256 1.00 0.00 C ATOM 683 O PRO A 44 -17.052 27.528 -24.935 1.00 0.00 O ATOM 684 CB PRO A 44 -14.019 27.437 -24.829 1.00 0.00 C ATOM 685 CG PRO A 44 -13.359 27.190 -23.472 1.00 0.00 C ATOM 686 CD PRO A 44 -14.388 27.726 -22.484 1.00 0.00 C ATOM 0 HA PRO A 44 -14.516 29.543 -25.076 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.590 26.568 -25.156 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.275 27.638 -25.600 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.157 26.131 -23.309 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.407 27.713 -23.386 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.112 26.957 -22.215 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.912 28.052 -21.560 1.00 0.00 H new ATOM 694 N PHE A 45 -16.623 29.327 -26.216 1.00 0.00 N ATOM 695 CA PHE A 45 -17.770 29.241 -27.130 1.00 0.00 C ATOM 696 C PHE A 45 -17.328 28.815 -28.532 1.00 0.00 C ATOM 697 O PHE A 45 -16.306 29.281 -29.023 1.00 0.00 O ATOM 698 CB PHE A 45 -18.471 30.603 -27.204 1.00 0.00 C ATOM 699 CG PHE A 45 -19.292 30.927 -25.974 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.674 31.504 -24.849 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.672 30.649 -25.950 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.434 31.806 -23.710 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.430 30.946 -24.801 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.806 31.519 -23.679 1.00 0.00 C ATOM 0 H PHE A 45 -16.054 30.155 -26.391 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.459 28.489 -26.745 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.721 31.381 -27.346 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.120 30.622 -28.080 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.615 31.714 -24.863 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.149 30.208 -26.813 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.960 32.262 -22.853 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.489 30.734 -24.782 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.384 31.738 -22.793 1.00 0.00 H new ATOM 714 N ALA A 46 -18.119 28.004 -29.225 1.00 0.00 N ATOM 715 CA ALA A 46 -17.872 27.637 -30.624 1.00 0.00 C ATOM 716 C ALA A 46 -18.433 28.705 -31.581 1.00 0.00 C ATOM 717 O ALA A 46 -19.323 29.467 -31.207 1.00 0.00 O ATOM 718 CB ALA A 46 -18.477 26.252 -30.885 1.00 0.00 C ATOM 0 H ALA A 46 -18.958 27.576 -28.833 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.799 27.590 -30.811 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.300 25.967 -31.922 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.012 25.521 -30.224 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.550 26.282 -30.695 1.00 0.00 H new ATOM 724 N ASP A 47 -17.955 28.755 -32.825 1.00 0.00 N ATOM 725 CA ASP A 47 -18.425 29.699 -33.859 1.00 0.00 C ATOM 726 C ASP A 47 -19.926 29.543 -34.204 1.00 0.00 C ATOM 727 O ASP A 47 -20.559 30.472 -34.710 1.00 0.00 O ATOM 728 CB ASP A 47 -17.544 29.532 -35.104 1.00 0.00 C ATOM 729 CG ASP A 47 -17.917 30.505 -36.237 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.652 31.723 -36.098 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.442 30.047 -37.280 1.00 0.00 O ATOM 0 H ASP A 47 -17.217 28.133 -33.155 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.333 30.710 -33.461 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.501 29.686 -34.828 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.629 28.508 -35.468 1.00 0.00 H new ATOM 736 N ASP A 48 -20.522 28.387 -33.887 1.00 0.00 N ATOM 737 CA ASP A 48 -21.969 28.132 -33.991 1.00 0.00 C ATOM 738 C ASP A 48 -22.799 28.872 -32.911 1.00 0.00 C ATOM 739 O ASP A 48 -24.024 28.967 -33.014 1.00 0.00 O ATOM 740 CB ASP A 48 -22.184 26.614 -33.913 1.00 0.00 C ATOM 741 CG ASP A 48 -23.629 26.192 -34.234 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.083 26.408 -35.384 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.301 25.600 -33.355 1.00 0.00 O ATOM 0 H ASP A 48 -20.001 27.581 -33.542 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.326 28.526 -34.943 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.505 26.121 -34.608 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.924 26.267 -32.913 1.00 0.00 H new ATOM 748 N ALA A 49 -22.130 29.423 -31.892 1.00 0.00 N ATOM 749 CA ALA A 49 -22.688 30.217 -30.795 1.00 0.00 C ATOM 750 C ALA A 49 -22.116 31.652 -30.767 1.00 0.00 C ATOM 751 O ALA A 49 -21.109 31.961 -31.409 1.00 0.00 O ATOM 752 CB ALA A 49 -22.405 29.475 -29.481 1.00 0.00 C ATOM 0 H ALA A 49 -21.119 29.319 -31.808 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.763 30.328 -30.939 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.811 30.046 -28.646 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.874 28.492 -29.510 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.329 29.360 -29.353 1.00 0.00 H new ATOM 758 N GLU A 50 -22.739 32.534 -29.980 1.00 0.00 N ATOM 759 CA GLU A 50 -22.232 33.875 -29.657 1.00 0.00 C ATOM 760 C GLU A 50 -22.392 34.192 -28.160 1.00 0.00 C ATOM 761 O GLU A 50 -23.334 33.725 -27.519 1.00 0.00 O ATOM 762 CB GLU A 50 -22.899 34.931 -30.555 1.00 0.00 C ATOM 763 CG GLU A 50 -24.373 35.203 -30.226 1.00 0.00 C ATOM 764 CD GLU A 50 -25.013 36.128 -31.281 1.00 0.00 C ATOM 765 OE1 GLU A 50 -24.878 37.371 -31.168 1.00 0.00 O ATOM 766 OE2 GLU A 50 -25.665 35.621 -32.227 1.00 0.00 O ATOM 0 H GLU A 50 -23.635 32.331 -29.537 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.162 33.899 -29.862 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.343 35.865 -30.472 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.825 34.607 -31.593 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -24.920 34.261 -30.184 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.451 35.661 -29.240 1.00 0.00 H new ATOM 773 N ILE A 51 -21.462 34.983 -27.617 1.00 0.00 N ATOM 774 CA ILE A 51 -21.281 35.325 -26.202 1.00 0.00 C ATOM 775 C ILE A 51 -22.497 36.088 -25.642 1.00 0.00 C ATOM 776 O ILE A 51 -22.722 37.249 -26.007 1.00 0.00 O ATOM 777 CB ILE A 51 -19.999 36.162 -25.976 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.776 35.705 -26.809 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.638 36.189 -24.480 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.272 34.289 -26.533 1.00 0.00 C ATOM 0 H ILE A 51 -20.760 35.437 -28.202 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.182 34.381 -25.667 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.239 37.165 -26.329 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.032 35.779 -27.866 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -17.958 36.402 -26.630 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.734 36.781 -24.334 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.458 36.634 -23.916 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.466 35.172 -24.129 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.415 34.077 -27.172 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -17.975 34.206 -25.488 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.066 33.573 -26.743 1.00 0.00 H new ATOM 792 N PRO A 52 -23.285 35.465 -24.757 1.00 0.00 N ATOM 793 CA PRO A 52 -24.296 36.148 -23.968 1.00 0.00 C ATOM 794 C PRO A 52 -23.645 37.023 -22.882 1.00 0.00 C ATOM 795 O PRO A 52 -22.571 36.705 -22.363 1.00 0.00 O ATOM 796 CB PRO A 52 -25.151 35.026 -23.381 1.00 0.00 C ATOM 797 CG PRO A 52 -24.175 33.860 -23.238 1.00 0.00 C ATOM 798 CD PRO A 52 -23.149 34.082 -24.342 1.00 0.00 C ATOM 0 HA PRO A 52 -24.901 36.836 -24.559 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.578 35.310 -22.419 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -25.984 34.772 -24.037 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.705 33.855 -22.255 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.682 32.902 -23.354 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.140 33.883 -23.980 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.327 33.406 -25.179 1.00 0.00 H new ATOM 806 N GLY A 53 -24.322 38.115 -22.512 1.00 0.00 N ATOM 807 CA GLY A 53 -23.902 39.074 -21.476 1.00 0.00 C ATOM 808 C GLY A 53 -23.495 38.449 -20.134 1.00 0.00 C ATOM 809 O GLY A 53 -22.638 38.993 -19.434 1.00 0.00 O ATOM 0 H GLY A 53 -25.212 38.368 -22.940 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.062 39.653 -21.859 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.718 39.775 -21.300 1.00 0.00 H new ATOM 813 N THR A 54 -24.077 37.301 -19.771 1.00 0.00 N ATOM 814 CA THR A 54 -23.673 36.514 -18.600 1.00 0.00 C ATOM 815 C THR A 54 -23.685 34.999 -18.863 1.00 0.00 C ATOM 816 O THR A 54 -24.346 34.524 -19.792 1.00 0.00 O ATOM 817 CB THR A 54 -24.612 36.781 -17.401 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.943 36.428 -17.728 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.701 38.247 -16.984 1.00 0.00 C ATOM 0 H THR A 54 -24.852 36.887 -20.289 1.00 0.00 H new ATOM 0 HA THR A 54 -22.654 36.830 -18.379 1.00 0.00 H new ATOM 0 HB THR A 54 -24.181 36.189 -16.594 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.526 36.601 -16.959 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.380 38.344 -16.137 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.712 38.605 -16.699 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.075 38.841 -17.818 1.00 0.00 H new ATOM 827 N TRP A 55 -22.953 34.228 -18.047 1.00 0.00 N ATOM 828 CA TRP A 55 -22.825 32.766 -18.155 1.00 0.00 C ATOM 829 C TRP A 55 -22.416 32.113 -16.819 1.00 0.00 C ATOM 830 O TRP A 55 -21.685 32.706 -16.024 1.00 0.00 O ATOM 831 CB TRP A 55 -21.796 32.429 -19.240 1.00 0.00 C ATOM 832 CG TRP A 55 -21.779 30.996 -19.676 1.00 0.00 C ATOM 833 CD1 TRP A 55 -20.986 30.036 -19.160 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.577 30.330 -20.703 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.189 28.845 -19.824 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.173 28.963 -20.780 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.592 30.749 -21.587 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.743 28.061 -21.692 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.177 29.853 -22.504 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.755 28.511 -22.558 1.00 0.00 C ATOM 0 H TRP A 55 -22.417 34.615 -17.270 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.802 32.363 -18.422 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -21.991 33.055 -20.111 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.804 32.693 -18.873 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.292 30.179 -18.345 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.675 27.985 -19.631 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.927 31.775 -21.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.409 27.035 -21.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.954 30.198 -23.170 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.207 27.829 -23.263 1.00 0.00 H new ATOM 851 N LEU A 56 -22.864 30.882 -16.554 1.00 0.00 N ATOM 852 CA LEU A 56 -22.554 30.147 -15.321 1.00 0.00 C ATOM 853 C LEU A 56 -21.068 29.737 -15.260 1.00 0.00 C ATOM 854 O LEU A 56 -20.549 29.078 -16.163 1.00 0.00 O ATOM 855 CB LEU A 56 -23.496 28.931 -15.203 1.00 0.00 C ATOM 856 CG LEU A 56 -24.142 28.768 -13.818 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.228 27.694 -13.870 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.127 28.351 -12.757 1.00 0.00 C ATOM 0 H LEU A 56 -23.460 30.360 -17.197 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.721 30.801 -14.466 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.284 29.022 -15.951 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.935 28.027 -15.439 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.560 29.738 -13.550 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.680 27.586 -12.884 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.993 27.985 -14.590 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.787 26.745 -14.173 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.628 28.248 -11.795 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.679 27.398 -13.037 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.348 29.109 -12.681 1.00 0.00 H new ATOM 870 N CYS A 57 -20.385 30.119 -14.182 1.00 0.00 N ATOM 871 CA CYS A 57 -18.959 29.861 -13.966 1.00 0.00 C ATOM 872 C CYS A 57 -18.698 28.552 -13.213 1.00 0.00 C ATOM 873 O CYS A 57 -19.583 27.989 -12.564 1.00 0.00 O ATOM 874 CB CYS A 57 -18.349 31.049 -13.218 1.00 0.00 C ATOM 875 SG CYS A 57 -18.233 32.461 -14.336 1.00 0.00 S ATOM 0 H CYS A 57 -20.818 30.630 -13.413 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.485 29.746 -14.941 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.963 31.304 -12.354 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.361 30.787 -12.840 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.717 33.473 -13.704 1.00 0.00 H new ATOM 881 N ARG A 58 -17.437 28.100 -13.236 1.00 0.00 N ATOM 882 CA ARG A 58 -17.006 26.810 -12.663 1.00 0.00 C ATOM 883 C ARG A 58 -17.077 26.758 -11.126 1.00 0.00 C ATOM 884 O ARG A 58 -17.106 25.671 -10.550 1.00 0.00 O ATOM 885 CB ARG A 58 -15.598 26.434 -13.172 1.00 0.00 C ATOM 886 CG ARG A 58 -15.388 26.658 -14.683 1.00 0.00 C ATOM 887 CD ARG A 58 -14.001 26.191 -15.140 1.00 0.00 C ATOM 888 NE ARG A 58 -13.689 26.681 -16.498 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.653 26.338 -17.244 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.780 25.450 -16.862 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.476 26.900 -18.404 1.00 0.00 N ATOM 0 H ARG A 58 -16.673 28.626 -13.659 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.722 26.066 -13.013 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.859 27.018 -12.624 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.410 25.385 -12.943 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.155 26.120 -15.240 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.510 27.716 -14.914 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.246 26.548 -14.440 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.959 25.102 -15.126 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.340 27.354 -16.902 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.882 24.991 -15.957 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.994 25.214 -17.468 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.136 27.604 -18.736 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.677 26.637 -18.982 1.00 0.00 H new ATOM 905 N ASN A 59 -17.178 27.920 -10.469 1.00 0.00 N ATOM 906 CA ASN A 59 -17.480 28.057 -9.034 1.00 0.00 C ATOM 907 C ASN A 59 -18.930 27.641 -8.673 1.00 0.00 C ATOM 908 O ASN A 59 -19.246 27.386 -7.510 1.00 0.00 O ATOM 909 CB ASN A 59 -17.208 29.527 -8.665 1.00 0.00 C ATOM 910 CG ASN A 59 -17.448 29.925 -7.215 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.269 29.162 -6.278 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.805 31.170 -6.989 1.00 0.00 N ATOM 0 H ASN A 59 -17.048 28.819 -10.933 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.848 27.379 -8.460 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.171 29.753 -8.913 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.832 30.158 -9.298 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.932 31.498 -6.032 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.955 31.808 -7.771 1.00 0.00 H new ATOM 919 N GLY A 60 -19.817 27.557 -9.669 1.00 0.00 N ATOM 920 CA GLY A 60 -21.248 27.278 -9.505 1.00 0.00 C ATOM 921 C GLY A 60 -22.108 28.536 -9.325 1.00 0.00 C ATOM 922 O GLY A 60 -23.271 28.424 -8.934 1.00 0.00 O ATOM 0 H GLY A 60 -19.550 27.686 -10.645 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.603 26.728 -10.376 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.385 26.629 -8.640 1.00 0.00 H new ATOM 926 N MET A 61 -21.552 29.725 -9.603 1.00 0.00 N ATOM 927 CA MET A 61 -22.252 31.012 -9.560 1.00 0.00 C ATOM 928 C MET A 61 -22.393 31.616 -10.964 1.00 0.00 C ATOM 929 O MET A 61 -21.531 31.430 -11.824 1.00 0.00 O ATOM 930 CB MET A 61 -21.519 31.954 -8.586 1.00 0.00 C ATOM 931 CG MET A 61 -22.341 33.193 -8.198 1.00 0.00 C ATOM 932 SD MET A 61 -23.990 32.845 -7.517 1.00 0.00 S ATOM 933 CE MET A 61 -24.614 34.532 -7.298 1.00 0.00 C ATOM 0 H MET A 61 -20.572 29.817 -9.872 1.00 0.00 H new ATOM 0 HA MET A 61 -23.267 30.862 -9.193 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.261 31.401 -7.683 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.582 32.277 -9.040 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.777 33.769 -7.464 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.455 33.824 -9.079 1.00 0.00 H new ATOM 0 HE1 MET A 61 -25.647 34.496 -6.953 1.00 0.00 H new ATOM 0 HE2 MET A 61 -24.003 35.053 -6.561 1.00 0.00 H new ATOM 0 HE3 MET A 61 -24.568 35.063 -8.249 1.00 0.00 H new ATOM 943 N GLU A 62 -23.469 32.363 -11.200 1.00 0.00 N ATOM 944 CA GLU A 62 -23.687 33.113 -12.442 1.00 0.00 C ATOM 945 C GLU A 62 -22.646 34.238 -12.573 1.00 0.00 C ATOM 946 O GLU A 62 -22.657 35.209 -11.813 1.00 0.00 O ATOM 947 CB GLU A 62 -25.122 33.663 -12.497 1.00 0.00 C ATOM 948 CG GLU A 62 -26.163 32.543 -12.624 1.00 0.00 C ATOM 949 CD GLU A 62 -27.589 33.121 -12.720 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.238 33.328 -11.666 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.075 33.366 -13.851 1.00 0.00 O ATOM 0 H GLU A 62 -24.227 32.468 -10.526 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.561 32.439 -13.289 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.322 34.244 -11.597 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.217 34.344 -13.343 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.950 31.943 -13.508 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.094 31.878 -11.763 1.00 0.00 H new ATOM 958 N GLY A 63 -21.723 34.084 -13.523 1.00 0.00 N ATOM 959 CA GLY A 63 -20.705 35.077 -13.852 1.00 0.00 C ATOM 960 C GLY A 63 -21.194 36.098 -14.881 1.00 0.00 C ATOM 961 O GLY A 63 -21.966 35.765 -15.780 1.00 0.00 O ATOM 0 H GLY A 63 -21.663 33.244 -14.098 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.403 35.598 -12.943 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.820 34.571 -14.239 1.00 0.00 H new ATOM 965 N THR A 64 -20.700 37.335 -14.801 1.00 0.00 N ATOM 966 CA THR A 64 -20.959 38.386 -15.801 1.00 0.00 C ATOM 967 C THR A 64 -19.738 38.645 -16.668 1.00 0.00 C ATOM 968 O THR A 64 -18.617 38.644 -16.166 1.00 0.00 O ATOM 969 CB THR A 64 -21.410 39.696 -15.138 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.557 39.472 -14.343 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.770 40.793 -16.144 1.00 0.00 C ATOM 0 H THR A 64 -20.102 37.644 -14.034 1.00 0.00 H new ATOM 0 HA THR A 64 -21.766 38.021 -16.436 1.00 0.00 H new ATOM 0 HB THR A 64 -20.559 40.029 -14.544 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.834 40.314 -13.924 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.080 41.690 -15.608 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.901 41.021 -16.761 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.586 40.450 -16.780 1.00 0.00 H new ATOM 979 N LEU A 65 -19.952 38.860 -17.967 1.00 0.00 N ATOM 980 CA LEU A 65 -18.908 39.078 -18.966 1.00 0.00 C ATOM 981 C LEU A 65 -18.048 40.318 -18.644 1.00 0.00 C ATOM 982 O LEU A 65 -18.573 41.428 -18.529 1.00 0.00 O ATOM 983 CB LEU A 65 -19.618 39.186 -20.330 1.00 0.00 C ATOM 984 CG LEU A 65 -18.694 39.181 -21.559 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.151 37.798 -21.850 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.466 39.656 -22.792 1.00 0.00 C ATOM 0 H LEU A 65 -20.891 38.888 -18.365 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.201 38.249 -18.975 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.320 38.357 -20.421 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.206 40.104 -20.343 1.00 0.00 H new ATOM 0 HG LEU A 65 -17.862 39.849 -21.338 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.503 37.838 -22.726 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.580 37.443 -20.992 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -18.979 37.115 -22.042 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.806 39.650 -23.659 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.309 38.989 -22.973 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.834 40.668 -22.623 1.00 0.00 H new