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= 1 K(o=1,f=-0.0032) USER MOD Set 1.2: A 59 ASN : amide:sc=-0.00426 X(o=1,f=0.98) USER MOD Single : A 29 GLN : amide:sc= 0.753 K(o=0.75,f=-0.0041) USER MOD Single : A 33 TYR OH : rot -168:sc= 0.424 USER MOD Single : A 35 THR OG1 : rot -68:sc= 0.409 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -39:sc= -1.51 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 -14.137 31.134 -29.597 1.00 0.00 N ATOM 438 CA GLN A 29 -14.103 32.446 -28.945 1.00 0.00 C ATOM 439 C GLN A 29 -14.066 32.240 -27.429 1.00 0.00 C ATOM 440 O GLN A 29 -15.003 31.708 -26.842 1.00 0.00 O ATOM 441 CB GLN A 29 -15.366 33.263 -29.278 1.00 0.00 C ATOM 442 CG GLN A 29 -15.692 33.414 -30.775 1.00 0.00 C ATOM 443 CD GLN A 29 -17.065 32.858 -31.113 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.889 33.488 -31.759 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.350 31.648 -30.696 1.00 0.00 N ATOM 0 HA GLN A 29 -13.223 32.983 -29.299 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.218 32.795 -28.785 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.256 34.258 -28.847 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.648 34.467 -31.052 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.935 32.897 -31.366 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.664 31.120 -30.157 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.258 31.235 -30.911 1.00 0.00 H new ATOM 454 N ILE A 30 -12.998 32.662 -26.773 1.00 0.00 N ATOM 455 CA ILE A 30 -12.854 32.587 -25.316 1.00 0.00 C ATOM 456 C ILE A 30 -13.405 33.883 -24.704 1.00 0.00 C ATOM 457 O ILE A 30 -12.798 34.950 -24.826 1.00 0.00 O ATOM 458 CB ILE A 30 -11.389 32.334 -24.892 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.664 31.259 -25.736 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.344 31.978 -23.394 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.329 29.882 -25.787 1.00 0.00 C ATOM 0 H ILE A 30 -12.190 33.074 -27.239 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.424 31.736 -24.943 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.843 33.259 -25.077 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.567 31.631 -26.756 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.654 31.138 -25.344 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.312 31.799 -23.093 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.754 32.803 -22.811 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.935 31.079 -23.216 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.732 29.212 -26.407 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.401 29.475 -24.778 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.328 29.976 -26.213 1.00 0.00 H new ATOM 473 N ALA A 31 -14.539 33.789 -24.018 1.00 0.00 N ATOM 474 CA ALA A 31 -15.036 34.839 -23.135 1.00 0.00 C ATOM 475 C ALA A 31 -14.640 34.536 -21.677 1.00 0.00 C ATOM 476 O ALA A 31 -14.296 33.405 -21.325 1.00 0.00 O ATOM 477 CB ALA A 31 -16.551 34.979 -23.331 1.00 0.00 C ATOM 0 H ALA A 31 -15.147 32.971 -24.060 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.582 35.799 -23.383 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.932 35.762 -22.675 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.761 35.241 -24.368 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -17.038 34.034 -23.089 1.00 0.00 H new ATOM 483 N ARG A 32 -14.679 35.553 -20.814 1.00 0.00 N ATOM 484 CA ARG A 32 -14.474 35.427 -19.362 1.00 0.00 C ATOM 485 C ARG A 32 -15.672 35.985 -18.615 1.00 0.00 C ATOM 486 O ARG A 32 -16.341 36.890 -19.101 1.00 0.00 O ATOM 487 CB ARG A 32 -13.162 36.110 -18.935 1.00 0.00 C ATOM 488 CG ARG A 32 -11.980 35.141 -19.016 1.00 0.00 C ATOM 489 CD ARG A 32 -10.631 35.845 -18.804 1.00 0.00 C ATOM 490 NE ARG A 32 -10.144 35.721 -17.416 1.00 0.00 N ATOM 491 CZ ARG A 32 -10.265 36.602 -16.440 1.00 0.00 C ATOM 492 NH1 ARG A 32 -10.868 37.745 -16.572 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.779 36.367 -15.261 1.00 0.00 N ATOM 0 H ARG A 32 -14.858 36.513 -21.109 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.384 34.371 -19.106 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.973 36.972 -19.575 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.259 36.485 -17.916 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.101 34.360 -18.265 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.982 34.650 -19.989 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.892 35.422 -19.485 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.731 36.900 -19.058 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.658 34.855 -17.184 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.281 38.003 -17.468 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.929 38.384 -15.779 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.293 35.489 -15.075 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.882 37.060 -14.519 1.00 0.00 H new ATOM 507 N TYR A 33 -15.929 35.463 -17.425 1.00 0.00 N ATOM 508 CA TYR A 33 -17.043 35.893 -16.573 1.00 0.00 C ATOM 509 C TYR A 33 -16.640 35.992 -15.093 1.00 0.00 C ATOM 510 O TYR A 33 -15.959 35.109 -14.568 1.00 0.00 O ATOM 511 CB TYR A 33 -18.239 34.957 -16.767 1.00 0.00 C ATOM 512 CG TYR A 33 -18.825 34.904 -18.164 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.260 34.074 -19.151 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.971 35.660 -18.457 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.866 33.979 -20.419 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.574 35.575 -19.723 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.044 34.705 -20.692 1.00 0.00 C ATOM 518 OH TYR A 33 -20.704 34.537 -21.864 1.00 0.00 O ATOM 0 H TYR A 33 -15.366 34.719 -17.013 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.331 36.899 -16.879 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.935 33.949 -16.484 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -19.026 35.259 -16.076 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.364 33.511 -18.936 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.392 36.311 -17.705 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.429 33.351 -21.181 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.442 36.176 -19.951 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.376 35.243 -21.965 1.00 0.00 H new ATOM 528 N ARG A 34 -17.090 37.056 -14.411 1.00 0.00 N ATOM 529 CA ARG A 34 -16.822 37.343 -12.990 1.00 0.00 C ATOM 530 C ARG A 34 -18.040 37.036 -12.120 1.00 0.00 C ATOM 531 O ARG A 34 -19.117 37.584 -12.353 1.00 0.00 O ATOM 532 CB ARG A 34 -16.388 38.811 -12.832 1.00 0.00 C ATOM 533 CG ARG A 34 -16.069 39.156 -11.367 1.00 0.00 C ATOM 534 CD ARG A 34 -15.158 40.380 -11.236 1.00 0.00 C ATOM 535 NE ARG A 34 -15.747 41.599 -11.822 1.00 0.00 N ATOM 536 CZ ARG A 34 -15.169 42.441 -12.664 1.00 0.00 C ATOM 537 NH1 ARG A 34 -14.003 42.227 -13.206 1.00 0.00 N ATOM 538 NH2 ARG A 34 -15.773 43.549 -12.987 1.00 0.00 N ATOM 0 H ARG A 34 -17.673 37.769 -14.849 1.00 0.00 H new ATOM 0 HA ARG A 34 -16.013 36.695 -12.651 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.510 38.999 -13.450 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.180 39.466 -13.196 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.999 39.341 -10.830 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.591 38.299 -10.891 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.944 40.556 -10.182 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.206 40.172 -11.724 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.705 41.817 -11.548 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.488 41.374 -12.987 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.606 42.912 -13.849 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.688 43.765 -12.591 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -15.331 44.200 -13.635 1.00 0.00 H new ATOM 552 N THR A 35 -17.861 36.171 -11.126 1.00 0.00 N ATOM 553 CA THR A 35 -18.906 35.719 -10.189 1.00 0.00 C ATOM 554 C THR A 35 -19.202 36.766 -9.118 1.00 0.00 C ATOM 555 O THR A 35 -18.546 37.807 -9.029 1.00 0.00 O ATOM 556 CB THR A 35 -18.532 34.412 -9.482 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.397 34.607 -8.694 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.282 33.260 -10.434 1.00 0.00 C ATOM 0 H THR A 35 -16.954 35.745 -10.937 1.00 0.00 H new ATOM 0 HA THR A 35 -19.791 35.556 -10.804 1.00 0.00 H new ATOM 0 HB THR A 35 -19.391 34.140 -8.868 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.621 34.763 -9.271 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.022 32.367 -9.865 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.182 33.069 -11.018 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.461 33.514 -11.105 1.00 0.00 H new ATOM 566 N ASP A 36 -20.159 36.465 -8.240 1.00 0.00 N ATOM 567 CA ASP A 36 -20.580 37.388 -7.190 1.00 0.00 C ATOM 568 C ASP A 36 -19.558 37.543 -6.046 1.00 0.00 C ATOM 569 O ASP A 36 -19.614 38.539 -5.322 1.00 0.00 O ATOM 570 CB ASP A 36 -21.967 36.963 -6.682 1.00 0.00 C ATOM 571 CG ASP A 36 -22.612 38.018 -5.765 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.923 39.133 -6.251 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.849 37.724 -4.569 1.00 0.00 O ATOM 0 H ASP A 36 -20.662 35.577 -8.238 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.640 38.385 -7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.621 36.780 -7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.878 36.022 -6.140 1.00 0.00 H new ATOM 578 N ASN A 37 -18.578 36.631 -5.915 1.00 0.00 N ATOM 579 CA ASN A 37 -17.466 36.819 -4.966 1.00 0.00 C ATOM 580 C ASN A 37 -16.248 37.534 -5.602 1.00 0.00 C ATOM 581 O ASN A 37 -15.201 37.663 -4.962 1.00 0.00 O ATOM 582 CB ASN A 37 -17.060 35.500 -4.296 1.00 0.00 C ATOM 583 CG ASN A 37 -18.178 34.536 -3.952 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.252 34.889 -3.482 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.928 33.266 -4.159 1.00 0.00 N ATOM 0 H ASN A 37 -18.533 35.763 -6.449 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.840 37.483 -4.186 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.359 34.986 -4.954 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.521 35.737 -3.379 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.631 32.564 -3.928 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.031 32.980 -4.551 1.00 0.00 H new ATOM 592 N GLY A 38 -16.349 37.949 -6.872 1.00 0.00 N ATOM 593 CA GLY A 38 -15.231 38.431 -7.694 1.00 0.00 C ATOM 594 C GLY A 38 -14.389 37.331 -8.338 1.00 0.00 C ATOM 595 O GLY A 38 -13.349 37.630 -8.922 1.00 0.00 O ATOM 0 H GLY A 38 -17.239 37.959 -7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.627 39.073 -8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.582 39.050 -7.074 1.00 0.00 H new ATOM 599 N GLU A 39 -14.801 36.065 -8.230 1.00 0.00 N ATOM 600 CA GLU A 39 -14.048 34.934 -8.793 1.00 0.00 C ATOM 601 C GLU A 39 -14.240 34.926 -10.314 1.00 0.00 C ATOM 602 O GLU A 39 -15.373 34.827 -10.788 1.00 0.00 O ATOM 603 CB GLU A 39 -14.480 33.587 -8.173 1.00 0.00 C ATOM 604 CG GLU A 39 -14.846 33.674 -6.685 1.00 0.00 C ATOM 605 CD GLU A 39 -14.596 32.406 -5.849 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.574 31.702 -6.038 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.426 32.150 -4.942 1.00 0.00 O ATOM 0 H GLU A 39 -15.661 35.793 -7.753 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.992 35.059 -8.554 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.337 33.203 -8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.672 32.866 -8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.282 34.494 -6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.902 33.934 -6.606 1.00 0.00 H new ATOM 614 N GLU A 40 -13.166 35.043 -11.089 1.00 0.00 N ATOM 615 CA GLU A 40 -13.236 35.100 -12.558 1.00 0.00 C ATOM 616 C GLU A 40 -12.850 33.763 -13.208 1.00 0.00 C ATOM 617 O GLU A 40 -11.810 33.174 -12.894 1.00 0.00 O ATOM 618 CB GLU A 40 -12.350 36.221 -13.119 1.00 0.00 C ATOM 619 CG GLU A 40 -12.702 37.614 -12.582 1.00 0.00 C ATOM 620 CD GLU A 40 -11.982 38.748 -13.340 1.00 0.00 C ATOM 621 OE1 GLU A 40 -10.878 38.523 -13.895 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.525 39.876 -13.392 1.00 0.00 O ATOM 0 H GLU A 40 -12.216 35.102 -10.721 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.276 35.312 -12.807 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.309 36.002 -12.881 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.434 36.229 -14.206 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.779 37.764 -12.652 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.441 37.667 -11.525 1.00 0.00 H new ATOM 629 N PHE A 41 -13.683 33.308 -14.149 1.00 0.00 N ATOM 630 CA PHE A 41 -13.524 32.064 -14.909 1.00 0.00 C ATOM 631 C PHE A 41 -13.622 32.312 -16.417 1.00 0.00 C ATOM 632 O PHE A 41 -14.144 33.329 -16.870 1.00 0.00 O ATOM 633 CB PHE A 41 -14.589 31.044 -14.484 1.00 0.00 C ATOM 634 CG PHE A 41 -14.455 30.569 -13.052 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.938 31.340 -11.975 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.812 29.344 -12.795 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.733 30.897 -10.662 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.579 28.923 -11.475 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.028 29.709 -10.405 1.00 0.00 C ATOM 0 H PHE A 41 -14.525 33.820 -14.414 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.532 31.668 -14.692 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.575 31.488 -14.617 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.536 30.181 -15.148 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.462 32.266 -12.161 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.495 28.722 -13.619 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.122 31.476 -9.837 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -13.056 27.997 -11.286 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.833 29.403 -9.388 1.00 0.00 H new ATOM 649 N GLU A 42 -13.143 31.351 -17.200 1.00 0.00 N ATOM 650 CA GLU A 42 -13.101 31.392 -18.662 1.00 0.00 C ATOM 651 C GLU A 42 -14.102 30.397 -19.267 1.00 0.00 C ATOM 652 O GLU A 42 -14.210 29.255 -18.809 1.00 0.00 O ATOM 653 CB GLU A 42 -11.684 31.099 -19.196 1.00 0.00 C ATOM 654 CG GLU A 42 -10.536 31.736 -18.391 1.00 0.00 C ATOM 655 CD GLU A 42 -9.936 30.793 -17.325 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.660 29.923 -16.778 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.727 30.924 -17.016 1.00 0.00 O ATOM 0 H GLU A 42 -12.757 30.486 -16.821 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.379 32.402 -18.964 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.537 30.019 -19.216 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.622 31.449 -20.226 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.748 32.044 -19.078 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.903 32.638 -17.902 1.00 0.00 H new ATOM 664 N VAL A 43 -14.809 30.819 -20.317 1.00 0.00 N ATOM 665 CA VAL A 43 -15.769 29.995 -21.070 1.00 0.00 C ATOM 666 C VAL A 43 -15.465 30.071 -22.577 1.00 0.00 C ATOM 667 O VAL A 43 -15.704 31.108 -23.204 1.00 0.00 O ATOM 668 CB VAL A 43 -17.228 30.403 -20.780 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.203 29.414 -21.430 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.543 30.461 -19.279 1.00 0.00 C ATOM 0 H VAL A 43 -14.731 31.769 -20.681 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.655 28.963 -20.740 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.348 31.402 -21.199 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.227 29.718 -21.215 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.047 29.405 -22.509 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.029 28.415 -21.029 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.583 30.753 -19.137 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.378 29.480 -18.834 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.892 31.191 -18.799 1.00 0.00 H new ATOM 680 N PRO A 44 -14.951 28.986 -23.187 1.00 0.00 N ATOM 681 CA PRO A 44 -14.835 28.840 -24.632 1.00 0.00 C ATOM 682 C PRO A 44 -16.212 28.644 -25.288 1.00 0.00 C ATOM 683 O PRO A 44 -16.997 27.777 -24.892 1.00 0.00 O ATOM 684 CB PRO A 44 -13.927 27.630 -24.876 1.00 0.00 C ATOM 685 CG PRO A 44 -13.263 27.354 -23.528 1.00 0.00 C ATOM 686 CD PRO A 44 -14.283 27.882 -22.526 1.00 0.00 C ATOM 0 HA PRO A 44 -14.414 29.740 -25.079 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.501 26.768 -25.217 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.185 27.843 -25.645 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.069 26.291 -23.384 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.306 27.867 -23.437 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.995 27.105 -22.246 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.795 28.213 -21.609 1.00 0.00 H new ATOM 694 N PHE A 45 -16.475 29.432 -26.321 1.00 0.00 N ATOM 695 CA PHE A 45 -17.651 29.352 -27.207 1.00 0.00 C ATOM 696 C PHE A 45 -17.239 28.972 -28.631 1.00 0.00 C ATOM 697 O PHE A 45 -16.209 29.432 -29.114 1.00 0.00 O ATOM 698 CB PHE A 45 -18.386 30.696 -27.216 1.00 0.00 C ATOM 699 CG PHE A 45 -19.260 30.924 -25.995 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.688 31.410 -24.805 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.647 30.676 -26.048 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.490 31.635 -23.677 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.448 30.902 -24.911 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.864 31.368 -23.719 1.00 0.00 C ATOM 0 H PHE A 45 -15.845 30.189 -26.587 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.317 28.577 -26.827 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.653 31.500 -27.282 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.005 30.755 -28.111 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.628 31.610 -24.760 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.096 30.313 -26.961 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.045 32.017 -22.770 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.511 30.717 -24.955 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.473 31.519 -22.840 1.00 0.00 H new ATOM 714 N ALA A 46 -18.053 28.205 -29.351 1.00 0.00 N ATOM 715 CA ALA A 46 -17.791 27.821 -30.741 1.00 0.00 C ATOM 716 C ALA A 46 -18.311 28.886 -31.722 1.00 0.00 C ATOM 717 O ALA A 46 -19.218 29.652 -31.396 1.00 0.00 O ATOM 718 CB ALA A 46 -18.393 26.436 -30.988 1.00 0.00 C ATOM 0 H ALA A 46 -18.926 27.826 -28.983 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.717 27.763 -30.917 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.206 26.137 -32.019 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.935 25.714 -30.312 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.468 26.469 -30.809 1.00 0.00 H new ATOM 724 N ASP A 47 -17.745 28.955 -32.927 1.00 0.00 N ATOM 725 CA ASP A 47 -18.061 29.980 -33.939 1.00 0.00 C ATOM 726 C ASP A 47 -19.539 29.976 -34.389 1.00 0.00 C ATOM 727 O ASP A 47 -20.041 30.982 -34.889 1.00 0.00 O ATOM 728 CB ASP A 47 -17.113 29.783 -35.131 1.00 0.00 C ATOM 729 CG ASP A 47 -17.276 30.870 -36.208 1.00 0.00 C ATOM 730 OD1 ASP A 47 -16.941 32.047 -35.933 1.00 0.00 O ATOM 731 OD2 ASP A 47 -17.696 30.541 -37.343 1.00 0.00 O ATOM 0 H ASP A 47 -17.039 28.289 -33.240 1.00 0.00 H new ATOM 0 HA ASP A 47 -17.913 30.960 -33.486 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.083 29.783 -34.774 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.296 28.805 -35.577 1.00 0.00 H new ATOM 736 N ASP A 48 -20.255 28.868 -34.172 1.00 0.00 N ATOM 737 CA ASP A 48 -21.700 28.756 -34.444 1.00 0.00 C ATOM 738 C ASP A 48 -22.595 29.324 -33.323 1.00 0.00 C ATOM 739 O ASP A 48 -23.806 29.483 -33.505 1.00 0.00 O ATOM 740 CB ASP A 48 -22.053 27.299 -34.747 1.00 0.00 C ATOM 741 CG ASP A 48 -21.970 26.380 -33.519 1.00 0.00 C ATOM 742 OD1 ASP A 48 -20.856 25.903 -33.202 1.00 0.00 O ATOM 743 OD2 ASP A 48 -23.019 26.120 -32.883 1.00 0.00 O ATOM 0 H ASP A 48 -19.847 28.011 -33.798 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.907 29.377 -35.315 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -23.063 27.256 -35.156 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.380 26.923 -35.518 1.00 0.00 H new ATOM 748 N ALA A 49 -21.993 29.636 -32.177 1.00 0.00 N ATOM 749 CA ALA A 49 -22.611 30.243 -30.999 1.00 0.00 C ATOM 750 C ALA A 49 -22.275 31.744 -30.873 1.00 0.00 C ATOM 751 O ALA A 49 -21.471 32.302 -31.626 1.00 0.00 O ATOM 752 CB ALA A 49 -22.174 29.441 -29.763 1.00 0.00 C ATOM 0 H ALA A 49 -20.998 29.461 -32.037 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.696 30.201 -31.093 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.623 29.875 -28.870 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.500 28.406 -29.867 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.088 29.472 -29.675 1.00 0.00 H new ATOM 758 N GLU A 50 -22.879 32.405 -29.886 1.00 0.00 N ATOM 759 CA GLU A 50 -22.559 33.775 -29.459 1.00 0.00 C ATOM 760 C GLU A 50 -22.438 33.853 -27.928 1.00 0.00 C ATOM 761 O GLU A 50 -22.955 32.995 -27.215 1.00 0.00 O ATOM 762 CB GLU A 50 -23.633 34.763 -29.949 1.00 0.00 C ATOM 763 CG GLU A 50 -23.558 35.025 -31.457 1.00 0.00 C ATOM 764 CD GLU A 50 -24.688 35.971 -31.904 1.00 0.00 C ATOM 765 OE1 GLU A 50 -24.529 37.210 -31.785 1.00 0.00 O ATOM 766 OE2 GLU A 50 -25.745 35.482 -32.374 1.00 0.00 O ATOM 0 H GLU A 50 -23.633 31.989 -29.339 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.601 34.049 -29.902 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.620 34.371 -29.702 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.522 35.707 -29.415 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -22.591 35.462 -31.707 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -23.631 34.082 -31.999 1.00 0.00 H new ATOM 773 N ILE A 51 -21.765 34.898 -27.438 1.00 0.00 N ATOM 774 CA ILE A 51 -21.530 35.230 -26.033 1.00 0.00 C ATOM 775 C ILE A 51 -22.726 36.014 -25.463 1.00 0.00 C ATOM 776 O ILE A 51 -22.942 37.173 -25.837 1.00 0.00 O ATOM 777 CB ILE A 51 -20.243 36.063 -25.855 1.00 0.00 C ATOM 778 CG1 ILE A 51 -19.070 35.624 -26.758 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.821 36.064 -24.379 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.555 34.200 -26.559 1.00 0.00 C ATOM 0 H ILE A 51 -21.339 35.584 -28.061 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.412 34.292 -25.491 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.490 37.075 -26.176 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.380 35.733 -27.797 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.240 36.313 -26.599 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.912 36.654 -24.261 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.617 36.498 -23.773 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.634 35.041 -24.053 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.733 34.011 -27.249 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.203 34.080 -25.534 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.361 33.492 -26.751 1.00 0.00 H new ATOM 792 N PRO A 52 -23.514 35.412 -24.565 1.00 0.00 N ATOM 793 CA PRO A 52 -24.509 36.118 -23.773 1.00 0.00 C ATOM 794 C PRO A 52 -23.834 37.004 -22.713 1.00 0.00 C ATOM 795 O PRO A 52 -22.744 36.697 -22.222 1.00 0.00 O ATOM 796 CB PRO A 52 -25.369 35.016 -23.157 1.00 0.00 C ATOM 797 CG PRO A 52 -24.417 33.829 -23.041 1.00 0.00 C ATOM 798 CD PRO A 52 -23.438 34.018 -24.192 1.00 0.00 C ATOM 0 HA PRO A 52 -25.116 36.801 -24.367 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.760 35.311 -22.183 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.227 34.780 -23.786 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.904 33.823 -22.079 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.950 32.882 -23.124 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.426 33.751 -23.889 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.698 33.376 -25.033 1.00 0.00 H new ATOM 806 N GLY A 53 -24.510 38.094 -22.334 1.00 0.00 N ATOM 807 CA GLY A 53 -24.071 39.061 -21.314 1.00 0.00 C ATOM 808 C GLY A 53 -23.626 38.443 -19.980 1.00 0.00 C ATOM 809 O GLY A 53 -22.754 38.994 -19.303 1.00 0.00 O ATOM 0 H GLY A 53 -25.412 38.339 -22.743 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.245 39.644 -21.720 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.887 39.757 -21.120 1.00 0.00 H new ATOM 813 N THR A 54 -24.193 37.294 -19.600 1.00 0.00 N ATOM 814 CA THR A 54 -23.754 36.507 -18.441 1.00 0.00 C ATOM 815 C THR A 54 -23.770 34.991 -18.705 1.00 0.00 C ATOM 816 O THR A 54 -24.483 34.516 -19.592 1.00 0.00 O ATOM 817 CB THR A 54 -24.658 36.781 -17.216 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.009 36.439 -17.480 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.729 38.248 -16.804 1.00 0.00 C ATOM 0 H THR A 54 -24.981 36.877 -20.095 1.00 0.00 H new ATOM 0 HA THR A 54 -22.728 36.819 -18.247 1.00 0.00 H new ATOM 0 HB THR A 54 -24.199 36.179 -16.432 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.554 36.622 -16.686 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.383 38.352 -15.938 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.731 38.603 -16.549 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.124 38.839 -17.630 1.00 0.00 H new ATOM 827 N TRP A 55 -23.004 34.222 -17.921 1.00 0.00 N ATOM 828 CA TRP A 55 -22.875 32.760 -18.023 1.00 0.00 C ATOM 829 C TRP A 55 -22.418 32.130 -16.693 1.00 0.00 C ATOM 830 O TRP A 55 -21.664 32.739 -15.931 1.00 0.00 O ATOM 831 CB TRP A 55 -21.883 32.407 -19.138 1.00 0.00 C ATOM 832 CG TRP A 55 -21.888 30.975 -19.577 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.073 30.015 -19.096 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.710 30.316 -20.589 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.286 28.831 -19.767 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.292 28.955 -20.700 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.760 30.733 -21.432 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.873 28.062 -21.615 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.355 29.847 -22.351 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.912 28.514 -22.446 1.00 0.00 C ATOM 0 H TRP A 55 -22.436 34.614 -17.170 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.858 32.352 -18.259 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.097 33.035 -20.003 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.878 32.662 -18.800 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.357 30.154 -18.300 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.765 27.971 -19.595 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.115 31.751 -21.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.526 27.041 -21.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.156 30.192 -22.987 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.370 27.841 -23.156 1.00 0.00 H new ATOM 851 N LEU A 56 -22.851 30.899 -16.399 1.00 0.00 N ATOM 852 CA LEU A 56 -22.517 30.185 -15.162 1.00 0.00 C ATOM 853 C LEU A 56 -21.030 29.780 -15.127 1.00 0.00 C ATOM 854 O LEU A 56 -20.525 29.127 -16.043 1.00 0.00 O ATOM 855 CB LEU A 56 -23.455 28.971 -15.017 1.00 0.00 C ATOM 856 CG LEU A 56 -24.074 28.812 -13.619 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.172 27.749 -13.651 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.040 28.375 -12.583 1.00 0.00 C ATOM 0 H LEU A 56 -23.453 30.363 -17.024 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.668 30.847 -14.309 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.258 29.058 -15.749 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.898 28.066 -15.260 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.475 29.786 -13.339 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.605 27.643 -12.656 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.949 28.049 -14.355 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.747 26.796 -13.965 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.520 28.275 -11.610 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.613 27.416 -12.877 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.248 29.122 -12.522 1.00 0.00 H new ATOM 870 N CYS A 57 -20.333 30.148 -14.054 1.00 0.00 N ATOM 871 CA CYS A 57 -18.907 29.878 -13.857 1.00 0.00 C ATOM 872 C CYS A 57 -18.648 28.547 -13.137 1.00 0.00 C ATOM 873 O CYS A 57 -19.534 27.987 -12.484 1.00 0.00 O ATOM 874 CB CYS A 57 -18.285 31.038 -13.076 1.00 0.00 C ATOM 875 SG CYS A 57 -18.198 32.511 -14.121 1.00 0.00 S ATOM 0 H CYS A 57 -20.754 30.656 -13.276 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.443 29.790 -14.840 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.879 31.248 -12.186 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.286 30.764 -12.736 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.870 32.166 -15.331 1.00 0.00 H new ATOM 881 N ARG A 58 -17.394 28.071 -13.179 1.00 0.00 N ATOM 882 CA ARG A 58 -16.990 26.774 -12.595 1.00 0.00 C ATOM 883 C ARG A 58 -17.034 26.739 -11.055 1.00 0.00 C ATOM 884 O ARG A 58 -17.036 25.658 -10.467 1.00 0.00 O ATOM 885 CB ARG A 58 -15.617 26.315 -13.140 1.00 0.00 C ATOM 886 CG ARG A 58 -15.436 26.528 -14.656 1.00 0.00 C ATOM 887 CD ARG A 58 -14.170 25.873 -15.228 1.00 0.00 C ATOM 888 NE ARG A 58 -12.907 26.491 -14.777 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.193 27.399 -15.423 1.00 0.00 C ATOM 890 NH1 ARG A 58 -12.550 27.933 -16.551 1.00 0.00 N ATOM 891 NH2 ARG A 58 -11.078 27.854 -14.940 1.00 0.00 N ATOM 0 H ARG A 58 -16.625 28.575 -13.620 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.744 26.056 -12.919 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.830 26.854 -12.612 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.484 25.257 -12.915 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.307 26.129 -15.176 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.405 27.598 -14.862 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.164 24.819 -14.951 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.213 25.916 -16.316 1.00 0.00 H new ATOM 0 HE ARG A 58 -12.547 26.186 -13.873 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -13.428 27.657 -16.991 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.953 28.629 -16.998 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.733 27.512 -14.043 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.546 28.554 -15.457 1.00 0.00 H new ATOM 905 N ASN A 59 -17.146 27.905 -10.405 1.00 0.00 N ATOM 906 CA ASN A 59 -17.434 28.050 -8.968 1.00 0.00 C ATOM 907 C ASN A 59 -18.880 27.640 -8.592 1.00 0.00 C ATOM 908 O ASN A 59 -19.187 27.395 -7.424 1.00 0.00 O ATOM 909 CB ASN A 59 -17.172 29.529 -8.619 1.00 0.00 C ATOM 910 CG ASN A 59 -17.399 29.944 -7.171 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.214 29.191 -6.227 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.745 31.194 -6.956 1.00 0.00 N ATOM 0 H ASN A 59 -17.036 28.802 -10.877 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.794 27.378 -8.397 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.140 29.762 -8.881 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.809 30.146 -9.253 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.859 31.535 -6.001 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.900 31.823 -7.744 1.00 0.00 H new ATOM 919 N GLY A 60 -19.778 27.554 -9.578 1.00 0.00 N ATOM 920 CA GLY A 60 -21.211 27.293 -9.389 1.00 0.00 C ATOM 921 C GLY A 60 -22.051 28.566 -9.212 1.00 0.00 C ATOM 922 O GLY A 60 -23.208 28.477 -8.799 1.00 0.00 O ATOM 0 H GLY A 60 -19.522 27.667 -10.559 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.587 26.737 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.343 26.656 -8.514 1.00 0.00 H new ATOM 926 N MET A 61 -21.482 29.743 -9.508 1.00 0.00 N ATOM 927 CA MET A 61 -22.144 31.049 -9.431 1.00 0.00 C ATOM 928 C MET A 61 -22.327 31.670 -10.823 1.00 0.00 C ATOM 929 O MET A 61 -21.497 31.484 -11.715 1.00 0.00 O ATOM 930 CB MET A 61 -21.332 31.948 -8.482 1.00 0.00 C ATOM 931 CG MET A 61 -22.031 33.264 -8.113 1.00 0.00 C ATOM 932 SD MET A 61 -23.703 33.130 -7.413 1.00 0.00 S ATOM 933 CE MET A 61 -23.320 32.410 -5.792 1.00 0.00 C ATOM 0 H MET A 61 -20.513 29.812 -9.819 1.00 0.00 H new ATOM 0 HA MET A 61 -23.151 30.934 -9.030 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.119 31.394 -7.568 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.373 32.177 -8.947 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.403 33.794 -7.396 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.085 33.883 -9.008 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.243 32.263 -5.232 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.822 31.450 -5.929 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.664 33.084 -5.240 1.00 0.00 H new ATOM 943 N GLU A 62 -23.403 32.434 -11.013 1.00 0.00 N ATOM 944 CA GLU A 62 -23.665 33.202 -12.235 1.00 0.00 C ATOM 945 C GLU A 62 -22.610 34.309 -12.408 1.00 0.00 C ATOM 946 O GLU A 62 -22.557 35.269 -11.634 1.00 0.00 O ATOM 947 CB GLU A 62 -25.099 33.760 -12.199 1.00 0.00 C ATOM 948 CG GLU A 62 -25.514 34.447 -13.510 1.00 0.00 C ATOM 949 CD GLU A 62 -26.162 33.448 -14.488 1.00 0.00 C ATOM 950 OE1 GLU A 62 -25.416 32.763 -15.227 1.00 0.00 O ATOM 951 OE2 GLU A 62 -27.412 33.338 -14.515 1.00 0.00 O ATOM 0 H GLU A 62 -24.133 32.540 -10.309 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.586 32.550 -13.105 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.793 32.947 -11.987 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.184 34.474 -11.380 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -26.215 35.253 -13.294 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -24.640 34.901 -13.977 1.00 0.00 H new ATOM 958 N GLY A 63 -21.739 34.148 -13.404 1.00 0.00 N ATOM 959 CA GLY A 63 -20.713 35.117 -13.771 1.00 0.00 C ATOM 960 C GLY A 63 -21.188 36.133 -14.811 1.00 0.00 C ATOM 961 O GLY A 63 -21.974 35.801 -15.699 1.00 0.00 O ATOM 0 H GLY A 63 -21.730 33.315 -13.993 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.387 35.648 -12.876 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.844 34.587 -14.161 1.00 0.00 H new ATOM 965 N THR A 64 -20.657 37.356 -14.761 1.00 0.00 N ATOM 966 CA THR A 64 -20.943 38.417 -15.743 1.00 0.00 C ATOM 967 C THR A 64 -19.742 38.709 -16.636 1.00 0.00 C ATOM 968 O THR A 64 -18.605 38.766 -16.165 1.00 0.00 O ATOM 969 CB THR A 64 -21.420 39.707 -15.057 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.560 39.436 -14.265 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.807 40.807 -16.052 1.00 0.00 C ATOM 0 H THR A 64 -20.007 37.646 -14.030 1.00 0.00 H new ATOM 0 HA THR A 64 -21.749 38.044 -16.375 1.00 0.00 H new ATOM 0 HB THR A 64 -20.581 40.058 -14.456 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.859 40.261 -13.829 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.135 41.692 -15.507 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.944 41.060 -16.669 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.617 40.453 -16.689 1.00 0.00 H new ATOM 979 N LEU A 65 -20.002 38.886 -17.933 1.00 0.00 N ATOM 980 CA LEU A 65 -19.007 39.017 -18.995 1.00 0.00 C ATOM 981 C LEU A 65 -17.985 40.154 -18.805 1.00 0.00 C ATOM 982 O LEU A 65 -18.344 41.332 -18.718 1.00 0.00 O ATOM 983 CB LEU A 65 -19.775 39.152 -20.322 1.00 0.00 C ATOM 984 CG LEU A 65 -18.920 39.072 -21.597 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.313 37.707 -21.823 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.775 39.435 -22.812 1.00 0.00 C ATOM 0 H LEU A 65 -20.957 38.944 -18.286 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.381 38.125 -18.980 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.532 38.369 -20.364 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.303 40.106 -20.320 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.100 39.778 -21.465 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.722 37.719 -22.739 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.671 37.450 -20.980 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.107 36.966 -21.913 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -19.167 39.378 -23.715 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.609 38.738 -22.891 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.159 40.449 -22.697 1.00 0.00 H new