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= 1.01 K(o=0.98,f=-0.024) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0374 X(o=0.98,f=1) USER MOD Single : A 29 GLN : amide:sc= 0.846 K(o=0.85,f=0) USER MOD Single : A 33 TYR OH : rot -165:sc= 0.525 USER MOD Single : A 35 THR OG1 : rot -67:sc= 0.299 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.05 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 -14.279 31.266 -29.556 1.00 0.00 N ATOM 438 CA GLN A 29 -14.285 32.568 -28.883 1.00 0.00 C ATOM 439 C GLN A 29 -14.186 32.343 -27.371 1.00 0.00 C ATOM 440 O GLN A 29 -15.081 31.776 -26.751 1.00 0.00 O ATOM 441 CB GLN A 29 -15.587 33.339 -29.176 1.00 0.00 C ATOM 442 CG GLN A 29 -15.906 33.543 -30.667 1.00 0.00 C ATOM 443 CD GLN A 29 -17.260 32.952 -31.037 1.00 0.00 C ATOM 444 OE1 GLN A 29 -18.136 33.607 -31.587 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.464 31.688 -30.741 1.00 0.00 N ATOM 0 HA GLN A 29 -13.440 33.150 -29.251 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.418 32.807 -28.713 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.528 34.316 -28.697 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.898 34.608 -30.899 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.128 33.079 -31.273 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.731 31.147 -30.283 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.355 31.248 -30.969 1.00 0.00 H new ATOM 454 N ILE A 30 -13.099 32.795 -26.771 1.00 0.00 N ATOM 455 CA ILE A 30 -12.873 32.746 -25.323 1.00 0.00 C ATOM 456 C ILE A 30 -13.393 34.041 -24.687 1.00 0.00 C ATOM 457 O ILE A 30 -12.777 35.102 -24.816 1.00 0.00 O ATOM 458 CB ILE A 30 -11.384 32.490 -24.987 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.744 31.347 -25.810 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.236 32.220 -23.478 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.465 29.998 -25.758 1.00 0.00 C ATOM 0 H ILE A 30 -12.325 33.218 -27.283 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.426 31.906 -24.903 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.839 33.392 -25.265 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.684 31.665 -26.851 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.721 31.204 -25.461 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.187 32.040 -23.242 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.591 33.085 -22.917 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.825 31.344 -23.206 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.928 29.274 -26.371 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.502 29.645 -24.728 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.480 30.113 -26.139 1.00 0.00 H new ATOM 473 N ALA A 31 -14.514 33.945 -23.976 1.00 0.00 N ATOM 474 CA ALA A 31 -14.996 34.993 -23.081 1.00 0.00 C ATOM 475 C ALA A 31 -14.578 34.697 -21.629 1.00 0.00 C ATOM 476 O ALA A 31 -14.277 33.557 -21.267 1.00 0.00 O ATOM 477 CB ALA A 31 -16.515 35.127 -23.246 1.00 0.00 C ATOM 0 H ALA A 31 -15.121 33.126 -24.006 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.544 35.950 -23.340 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.886 35.908 -22.582 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.747 35.389 -24.278 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.993 34.180 -22.995 1.00 0.00 H new ATOM 483 N ARG A 32 -14.569 35.729 -20.783 1.00 0.00 N ATOM 484 CA ARG A 32 -14.369 35.624 -19.330 1.00 0.00 C ATOM 485 C ARG A 32 -15.618 36.106 -18.603 1.00 0.00 C ATOM 486 O ARG A 32 -16.301 37.003 -19.086 1.00 0.00 O ATOM 487 CB ARG A 32 -13.115 36.412 -18.905 1.00 0.00 C ATOM 488 CG ARG A 32 -11.881 35.509 -18.838 1.00 0.00 C ATOM 489 CD ARG A 32 -10.596 36.323 -18.634 1.00 0.00 C ATOM 490 NE ARG A 32 -9.406 35.450 -18.631 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.139 35.819 -18.592 1.00 0.00 C ATOM 492 NH1 ARG A 32 -7.777 37.071 -18.550 1.00 0.00 N ATOM 493 NH2 ARG A 32 -7.209 34.911 -18.594 1.00 0.00 N ATOM 0 H ARG A 32 -14.704 36.690 -21.096 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.204 34.582 -19.057 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.936 37.222 -19.612 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.285 36.871 -17.931 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.995 34.797 -18.021 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.803 34.929 -19.758 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.503 37.066 -19.426 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.653 36.868 -17.692 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.583 34.446 -18.663 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.484 37.806 -18.546 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.787 37.315 -18.521 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.461 33.923 -18.626 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.227 35.186 -18.564 1.00 0.00 H new ATOM 507 N TYR A 33 -15.902 35.548 -17.431 1.00 0.00 N ATOM 508 CA TYR A 33 -17.024 35.960 -16.580 1.00 0.00 C ATOM 509 C TYR A 33 -16.624 36.031 -15.097 1.00 0.00 C ATOM 510 O TYR A 33 -15.945 35.136 -14.589 1.00 0.00 O ATOM 511 CB TYR A 33 -18.220 35.027 -16.790 1.00 0.00 C ATOM 512 CG TYR A 33 -18.809 34.997 -18.184 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.230 34.200 -19.190 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.969 35.738 -18.459 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.839 34.117 -20.457 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.570 35.670 -19.727 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.031 34.826 -20.713 1.00 0.00 C ATOM 518 OH TYR A 33 -20.689 34.670 -21.888 1.00 0.00 O ATOM 0 H TYR A 33 -15.354 34.785 -17.035 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.315 36.968 -16.875 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.915 34.015 -16.525 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -19.006 35.316 -16.092 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.320 33.653 -18.990 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.402 36.363 -17.692 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.394 33.511 -21.232 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.445 36.265 -19.944 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.342 35.393 -21.996 1.00 0.00 H new ATOM 528 N ARG A 34 -17.070 37.085 -14.396 1.00 0.00 N ATOM 529 CA ARG A 34 -16.798 37.338 -12.967 1.00 0.00 C ATOM 530 C ARG A 34 -18.013 37.018 -12.100 1.00 0.00 C ATOM 531 O ARG A 34 -19.090 37.567 -12.327 1.00 0.00 O ATOM 532 CB ARG A 34 -16.322 38.786 -12.741 1.00 0.00 C ATOM 533 CG ARG A 34 -15.766 38.971 -11.321 1.00 0.00 C ATOM 534 CD ARG A 34 -14.901 40.235 -11.200 1.00 0.00 C ATOM 535 NE ARG A 34 -13.872 40.065 -10.158 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.183 40.998 -9.531 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.365 42.271 -9.749 1.00 0.00 N ATOM 538 NH2 ARG A 34 -12.291 40.649 -8.651 1.00 0.00 N ATOM 0 H ARG A 34 -17.649 37.810 -14.819 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.993 36.668 -12.663 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.553 39.037 -13.471 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.152 39.474 -12.902 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.593 39.029 -10.613 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.173 38.098 -11.048 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.425 40.449 -12.157 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.531 41.091 -10.959 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.667 39.103 -9.888 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.063 42.578 -10.427 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.810 42.960 -9.241 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.130 39.662 -8.452 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.752 41.363 -8.160 1.00 0.00 H new ATOM 552 N THR A 35 -17.837 36.135 -11.120 1.00 0.00 N ATOM 553 CA THR A 35 -18.893 35.657 -10.207 1.00 0.00 C ATOM 554 C THR A 35 -19.192 36.673 -9.105 1.00 0.00 C ATOM 555 O THR A 35 -18.528 37.706 -8.978 1.00 0.00 O ATOM 556 CB THR A 35 -18.535 34.325 -9.539 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.407 34.487 -8.735 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.287 33.200 -10.523 1.00 0.00 C ATOM 0 H THR A 35 -16.928 35.714 -10.926 1.00 0.00 H new ATOM 0 HA THR A 35 -19.773 35.517 -10.835 1.00 0.00 H new ATOM 0 HB THR A 35 -19.402 34.040 -8.942 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.627 34.673 -9.299 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.039 32.289 -9.979 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.184 33.034 -11.119 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.459 33.467 -11.180 1.00 0.00 H new ATOM 566 N ASP A 36 -20.160 36.355 -8.245 1.00 0.00 N ATOM 567 CA ASP A 36 -20.587 37.249 -7.172 1.00 0.00 C ATOM 568 C ASP A 36 -19.582 37.356 -6.009 1.00 0.00 C ATOM 569 O ASP A 36 -19.641 38.327 -5.250 1.00 0.00 O ATOM 570 CB ASP A 36 -21.984 36.823 -6.698 1.00 0.00 C ATOM 571 CG ASP A 36 -22.634 37.859 -5.763 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.926 38.990 -6.222 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.895 37.536 -4.578 1.00 0.00 O ATOM 0 H ASP A 36 -20.669 35.471 -8.274 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.630 38.260 -7.577 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.626 36.668 -7.565 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.912 35.867 -6.180 1.00 0.00 H new ATOM 578 N ASN A 37 -18.610 36.434 -5.894 1.00 0.00 N ATOM 579 CA ASN A 37 -17.510 36.576 -4.923 1.00 0.00 C ATOM 580 C ASN A 37 -16.279 37.302 -5.518 1.00 0.00 C ATOM 581 O ASN A 37 -15.239 37.401 -4.863 1.00 0.00 O ATOM 582 CB ASN A 37 -17.123 35.228 -4.298 1.00 0.00 C ATOM 583 CG ASN A 37 -18.250 34.248 -4.030 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.339 34.579 -3.581 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.988 32.989 -4.284 1.00 0.00 N ATOM 0 H ASN A 37 -18.563 35.586 -6.459 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.889 37.212 -4.123 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.401 34.744 -4.956 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.613 35.425 -3.355 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.695 32.275 -4.107 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.077 32.723 -4.658 1.00 0.00 H new ATOM 592 N GLY A 38 -16.365 37.760 -6.775 1.00 0.00 N ATOM 593 CA GLY A 38 -15.241 38.270 -7.568 1.00 0.00 C ATOM 594 C GLY A 38 -14.412 37.198 -8.273 1.00 0.00 C ATOM 595 O GLY A 38 -13.382 37.533 -8.859 1.00 0.00 O ATOM 0 H GLY A 38 -17.249 37.786 -7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.628 38.961 -8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.585 38.844 -6.914 1.00 0.00 H new ATOM 599 N GLU A 39 -14.822 35.931 -8.220 1.00 0.00 N ATOM 600 CA GLU A 39 -14.071 34.814 -8.811 1.00 0.00 C ATOM 601 C GLU A 39 -14.247 34.837 -10.335 1.00 0.00 C ATOM 602 O GLU A 39 -15.371 34.761 -10.829 1.00 0.00 O ATOM 603 CB GLU A 39 -14.506 33.452 -8.230 1.00 0.00 C ATOM 604 CG GLU A 39 -14.874 33.500 -6.740 1.00 0.00 C ATOM 605 CD GLU A 39 -14.627 32.210 -5.939 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.592 31.526 -6.130 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.472 31.917 -5.057 1.00 0.00 O ATOM 0 H GLU A 39 -15.689 35.645 -7.764 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.017 34.939 -8.562 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.363 33.084 -8.794 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.699 32.733 -8.372 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.309 34.307 -6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.929 33.759 -6.656 1.00 0.00 H new ATOM 614 N GLU A 40 -13.160 34.966 -11.085 1.00 0.00 N ATOM 615 CA GLU A 40 -13.186 35.073 -12.553 1.00 0.00 C ATOM 616 C GLU A 40 -12.796 33.751 -13.232 1.00 0.00 C ATOM 617 O GLU A 40 -11.752 33.161 -12.931 1.00 0.00 O ATOM 618 CB GLU A 40 -12.234 36.187 -13.015 1.00 0.00 C ATOM 619 CG GLU A 40 -12.729 37.576 -12.613 1.00 0.00 C ATOM 620 CD GLU A 40 -11.670 38.654 -12.920 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.542 39.068 -14.096 1.00 0.00 O ATOM 622 OE2 GLU A 40 -10.958 39.091 -11.983 1.00 0.00 O ATOM 0 H GLU A 40 -12.219 35.001 -10.693 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.209 35.312 -12.845 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.246 36.018 -12.587 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.124 36.142 -14.099 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.651 37.805 -13.147 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.966 37.587 -11.549 1.00 0.00 H new ATOM 629 N PHE A 41 -13.627 33.310 -14.181 1.00 0.00 N ATOM 630 CA PHE A 41 -13.445 32.088 -14.975 1.00 0.00 C ATOM 631 C PHE A 41 -13.541 32.371 -16.479 1.00 0.00 C ATOM 632 O PHE A 41 -14.060 33.407 -16.896 1.00 0.00 O ATOM 633 CB PHE A 41 -14.475 31.034 -14.540 1.00 0.00 C ATOM 634 CG PHE A 41 -14.309 30.584 -13.100 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.925 31.283 -12.042 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.493 29.473 -12.814 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.716 30.868 -10.721 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.239 29.099 -11.482 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.856 29.796 -10.433 1.00 0.00 C ATOM 0 H PHE A 41 -14.479 33.813 -14.428 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.443 31.701 -14.791 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.478 31.441 -14.672 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.394 30.167 -15.195 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.555 32.135 -12.249 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.059 28.904 -13.623 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.222 31.378 -9.915 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.571 28.278 -11.268 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.671 29.510 -9.408 1.00 0.00 H new ATOM 649 N GLU A 42 -13.058 31.441 -17.305 1.00 0.00 N ATOM 650 CA GLU A 42 -13.092 31.533 -18.766 1.00 0.00 C ATOM 651 C GLU A 42 -14.083 30.517 -19.340 1.00 0.00 C ATOM 652 O GLU A 42 -14.133 29.363 -18.902 1.00 0.00 O ATOM 653 CB GLU A 42 -11.700 31.318 -19.388 1.00 0.00 C ATOM 654 CG GLU A 42 -10.624 32.299 -18.886 1.00 0.00 C ATOM 655 CD GLU A 42 -9.302 31.663 -18.411 1.00 0.00 C ATOM 656 OE1 GLU A 42 -9.294 30.567 -17.803 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.252 32.324 -18.603 1.00 0.00 O ATOM 0 H GLU A 42 -12.622 30.582 -16.969 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.418 32.541 -19.021 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.374 30.300 -19.177 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.781 31.409 -20.471 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.399 33.002 -19.688 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.043 32.877 -18.063 1.00 0.00 H new ATOM 664 N VAL A 43 -14.854 30.942 -20.341 1.00 0.00 N ATOM 665 CA VAL A 43 -15.838 30.112 -21.046 1.00 0.00 C ATOM 666 C VAL A 43 -15.519 30.106 -22.550 1.00 0.00 C ATOM 667 O VAL A 43 -15.680 31.138 -23.211 1.00 0.00 O ATOM 668 CB VAL A 43 -17.280 30.574 -20.775 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.284 29.608 -21.413 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.592 30.667 -19.275 1.00 0.00 C ATOM 0 H VAL A 43 -14.812 31.898 -20.695 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.768 29.093 -20.666 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.370 31.567 -21.214 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.298 29.951 -21.210 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.121 29.573 -22.490 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.148 28.612 -20.993 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.622 30.997 -19.137 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.460 29.688 -18.815 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.916 31.382 -18.806 1.00 0.00 H new ATOM 680 N PRO A 44 -15.053 28.974 -23.111 1.00 0.00 N ATOM 681 CA PRO A 44 -14.872 28.807 -24.549 1.00 0.00 C ATOM 682 C PRO A 44 -16.228 28.614 -25.252 1.00 0.00 C ATOM 683 O PRO A 44 -17.015 27.737 -24.887 1.00 0.00 O ATOM 684 CB PRO A 44 -13.963 27.581 -24.701 1.00 0.00 C ATOM 685 CG PRO A 44 -14.258 26.743 -23.458 1.00 0.00 C ATOM 686 CD PRO A 44 -14.615 27.782 -22.396 1.00 0.00 C ATOM 0 HA PRO A 44 -14.425 29.685 -25.015 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.186 27.030 -25.615 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.912 27.867 -24.749 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.080 26.048 -23.630 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.394 26.148 -23.162 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.403 27.411 -21.741 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.754 28.003 -21.765 1.00 0.00 H new ATOM 694 N PHE A 45 -16.480 29.408 -26.292 1.00 0.00 N ATOM 695 CA PHE A 45 -17.660 29.315 -27.173 1.00 0.00 C ATOM 696 C PHE A 45 -17.250 28.947 -28.599 1.00 0.00 C ATOM 697 O PHE A 45 -16.278 29.483 -29.117 1.00 0.00 O ATOM 698 CB PHE A 45 -18.417 30.647 -27.187 1.00 0.00 C ATOM 699 CG PHE A 45 -19.270 30.904 -25.959 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.698 31.479 -24.810 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.648 30.616 -25.980 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.500 31.770 -23.695 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.448 30.902 -24.856 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.870 31.470 -23.707 1.00 0.00 C ATOM 0 H PHE A 45 -15.849 30.164 -26.560 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.310 28.532 -26.782 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.696 31.458 -27.288 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.056 30.677 -28.069 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.641 31.697 -24.785 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.093 30.175 -26.860 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.059 32.228 -22.822 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.506 30.685 -24.877 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.478 31.674 -22.838 1.00 0.00 H new ATOM 714 N ALA A 46 -18.012 28.099 -29.280 1.00 0.00 N ATOM 715 CA ALA A 46 -17.740 27.702 -30.665 1.00 0.00 C ATOM 716 C ALA A 46 -18.283 28.738 -31.667 1.00 0.00 C ATOM 717 O ALA A 46 -19.187 29.507 -31.341 1.00 0.00 O ATOM 718 CB ALA A 46 -18.332 26.307 -30.901 1.00 0.00 C ATOM 0 H ALA A 46 -18.845 27.661 -28.887 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.663 27.663 -30.828 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.137 25.998 -31.928 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.872 25.596 -30.215 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.408 26.334 -30.728 1.00 0.00 H new ATOM 724 N ASP A 47 -17.775 28.742 -32.900 1.00 0.00 N ATOM 725 CA ASP A 47 -18.228 29.638 -33.983 1.00 0.00 C ATOM 726 C ASP A 47 -19.722 29.462 -34.352 1.00 0.00 C ATOM 727 O ASP A 47 -20.344 30.369 -34.910 1.00 0.00 O ATOM 728 CB ASP A 47 -17.325 29.403 -35.203 1.00 0.00 C ATOM 729 CG ASP A 47 -17.634 30.358 -36.370 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.344 31.573 -36.253 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.127 29.888 -37.425 1.00 0.00 O ATOM 0 H ASP A 47 -17.024 28.114 -33.187 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.146 30.666 -33.631 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.283 29.525 -34.906 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.441 28.374 -35.542 1.00 0.00 H new ATOM 736 N ASP A 48 -20.322 28.319 -33.998 1.00 0.00 N ATOM 737 CA ASP A 48 -21.766 28.052 -34.114 1.00 0.00 C ATOM 738 C ASP A 48 -22.618 28.793 -33.053 1.00 0.00 C ATOM 739 O ASP A 48 -23.845 28.861 -33.167 1.00 0.00 O ATOM 740 CB ASP A 48 -21.966 26.532 -34.023 1.00 0.00 C ATOM 741 CG ASP A 48 -23.399 26.092 -34.371 1.00 0.00 C ATOM 742 OD1 ASP A 48 -23.835 26.299 -35.531 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.080 25.490 -33.504 1.00 0.00 O ATOM 0 H ASP A 48 -19.804 27.530 -33.612 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.116 28.437 -35.072 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.266 26.038 -34.697 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.725 26.199 -33.014 1.00 0.00 H new ATOM 748 N ALA A 49 -21.971 29.358 -32.029 1.00 0.00 N ATOM 749 CA ALA A 49 -22.563 30.058 -30.887 1.00 0.00 C ATOM 750 C ALA A 49 -22.087 31.525 -30.773 1.00 0.00 C ATOM 751 O ALA A 49 -21.205 31.982 -31.504 1.00 0.00 O ATOM 752 CB ALA A 49 -22.226 29.252 -29.622 1.00 0.00 C ATOM 0 H ALA A 49 -20.953 29.337 -31.973 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.643 30.120 -31.022 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.653 29.747 -28.750 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.641 28.248 -29.709 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.144 29.188 -29.509 1.00 0.00 H new ATOM 758 N GLU A 50 -22.669 32.267 -29.827 1.00 0.00 N ATOM 759 CA GLU A 50 -22.302 33.641 -29.458 1.00 0.00 C ATOM 760 C GLU A 50 -22.273 33.832 -27.928 1.00 0.00 C ATOM 761 O GLU A 50 -22.814 33.006 -27.193 1.00 0.00 O ATOM 762 CB GLU A 50 -23.259 34.632 -30.145 1.00 0.00 C ATOM 763 CG GLU A 50 -24.706 34.578 -29.628 1.00 0.00 C ATOM 764 CD GLU A 50 -25.610 35.537 -30.426 1.00 0.00 C ATOM 765 OE1 GLU A 50 -25.694 36.739 -30.071 1.00 0.00 O ATOM 766 OE2 GLU A 50 -26.253 35.097 -31.412 1.00 0.00 O ATOM 0 H GLU A 50 -23.446 31.911 -29.270 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.289 33.840 -29.808 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.875 35.643 -30.009 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.261 34.433 -31.217 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -25.088 33.560 -29.709 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.729 34.844 -28.571 1.00 0.00 H new ATOM 773 N ILE A 51 -21.650 34.918 -27.457 1.00 0.00 N ATOM 774 CA ILE A 51 -21.449 35.298 -26.055 1.00 0.00 C ATOM 775 C ILE A 51 -22.658 36.085 -25.516 1.00 0.00 C ATOM 776 O ILE A 51 -22.874 37.238 -25.911 1.00 0.00 O ATOM 777 CB ILE A 51 -20.169 36.147 -25.879 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.974 35.679 -26.740 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.781 36.213 -24.395 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.465 34.264 -26.466 1.00 0.00 C ATOM 0 H ILE A 51 -21.243 35.604 -28.093 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.340 34.374 -25.487 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.413 37.145 -26.244 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.260 35.744 -27.790 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.149 36.376 -26.591 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.878 36.813 -24.281 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.593 36.667 -23.827 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.596 35.206 -24.022 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.627 34.044 -27.127 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.138 34.189 -25.429 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.267 33.548 -26.646 1.00 0.00 H new ATOM 792 N PRO A 52 -23.451 35.501 -24.610 1.00 0.00 N ATOM 793 CA PRO A 52 -24.447 36.217 -23.828 1.00 0.00 C ATOM 794 C PRO A 52 -23.781 37.097 -22.755 1.00 0.00 C ATOM 795 O PRO A 52 -22.705 36.777 -22.244 1.00 0.00 O ATOM 796 CB PRO A 52 -25.329 35.124 -23.225 1.00 0.00 C ATOM 797 CG PRO A 52 -24.390 33.928 -23.094 1.00 0.00 C ATOM 798 CD PRO A 52 -23.394 34.107 -24.231 1.00 0.00 C ATOM 0 HA PRO A 52 -25.035 36.909 -24.431 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.732 35.424 -22.258 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.179 34.896 -23.868 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.891 33.918 -22.125 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.931 32.986 -23.183 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.388 33.832 -23.913 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.648 33.465 -25.074 1.00 0.00 H new ATOM 806 N GLY A 53 -24.452 38.193 -22.386 1.00 0.00 N ATOM 807 CA GLY A 53 -24.023 39.161 -21.361 1.00 0.00 C ATOM 808 C GLY A 53 -23.604 38.550 -20.014 1.00 0.00 C ATOM 809 O GLY A 53 -22.742 39.100 -19.325 1.00 0.00 O ATOM 0 H GLY A 53 -25.346 38.444 -22.808 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.186 39.736 -21.756 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.838 39.863 -21.185 1.00 0.00 H new ATOM 813 N THR A 54 -24.184 37.408 -19.634 1.00 0.00 N ATOM 814 CA THR A 54 -23.757 36.614 -18.475 1.00 0.00 C ATOM 815 C THR A 54 -23.793 35.100 -18.746 1.00 0.00 C ATOM 816 O THR A 54 -24.472 34.638 -19.668 1.00 0.00 O ATOM 817 CB THR A 54 -24.662 36.884 -17.252 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.004 36.542 -17.544 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.727 38.347 -16.823 1.00 0.00 C ATOM 0 H THR A 54 -24.977 37.001 -20.130 1.00 0.00 H new ATOM 0 HA THR A 54 -22.730 36.921 -18.276 1.00 0.00 H new ATOM 0 HB THR A 54 -24.214 36.284 -16.460 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.564 36.717 -16.759 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.384 38.444 -15.959 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.728 38.694 -16.560 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.116 38.950 -17.644 1.00 0.00 H new ATOM 827 N TRP A 55 -23.058 34.317 -17.947 1.00 0.00 N ATOM 828 CA TRP A 55 -22.934 32.855 -18.068 1.00 0.00 C ATOM 829 C TRP A 55 -22.514 32.203 -16.736 1.00 0.00 C ATOM 830 O TRP A 55 -21.788 32.804 -15.944 1.00 0.00 O ATOM 831 CB TRP A 55 -21.913 32.521 -19.162 1.00 0.00 C ATOM 832 CG TRP A 55 -21.897 31.092 -19.606 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.075 30.141 -19.123 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.709 30.426 -20.621 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.277 28.953 -19.792 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.281 29.068 -20.729 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.759 30.835 -21.469 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.852 28.170 -21.644 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.344 29.943 -22.389 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.891 28.614 -22.481 1.00 0.00 C ATOM 0 H TRP A 55 -22.514 34.694 -17.171 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.911 32.452 -18.334 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.114 33.151 -20.028 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.919 32.783 -18.801 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.361 30.288 -18.326 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.750 28.097 -19.616 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.121 31.851 -21.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.498 27.151 -21.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.146 30.282 -23.028 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.340 27.937 -23.192 1.00 0.00 H new ATOM 851 N LEU A 56 -22.958 30.973 -16.461 1.00 0.00 N ATOM 852 CA LEU A 56 -22.621 30.242 -15.234 1.00 0.00 C ATOM 853 C LEU A 56 -21.142 29.802 -15.222 1.00 0.00 C ATOM 854 O LEU A 56 -20.672 29.126 -16.141 1.00 0.00 O ATOM 855 CB LEU A 56 -23.584 29.047 -15.079 1.00 0.00 C ATOM 856 CG LEU A 56 -24.192 28.913 -13.674 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.326 27.890 -13.687 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.163 28.448 -12.649 1.00 0.00 C ATOM 0 H LEU A 56 -23.568 30.451 -17.090 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.744 30.904 -14.377 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.391 29.147 -15.805 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.049 28.129 -15.322 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.557 29.901 -13.395 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.749 27.803 -12.686 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.101 28.214 -14.382 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.938 26.921 -14.002 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.636 28.367 -11.670 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.770 27.475 -12.944 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.347 29.169 -12.599 1.00 0.00 H new ATOM 870 N CYS A 57 -20.416 30.163 -14.167 1.00 0.00 N ATOM 871 CA CYS A 57 -19.001 29.829 -13.981 1.00 0.00 C ATOM 872 C CYS A 57 -18.812 28.485 -13.263 1.00 0.00 C ATOM 873 O CYS A 57 -19.701 28.017 -12.545 1.00 0.00 O ATOM 874 CB CYS A 57 -18.310 30.964 -13.213 1.00 0.00 C ATOM 875 SG CYS A 57 -18.185 32.431 -14.266 1.00 0.00 S ATOM 0 H CYS A 57 -20.802 30.709 -13.397 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.543 29.721 -14.964 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.874 31.200 -12.310 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.317 30.648 -12.895 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.601 33.388 -13.609 1.00 0.00 H new ATOM 881 N ARG A 58 -17.614 27.889 -13.378 1.00 0.00 N ATOM 882 CA ARG A 58 -17.294 26.571 -12.785 1.00 0.00 C ATOM 883 C ARG A 58 -17.343 26.549 -11.245 1.00 0.00 C ATOM 884 O ARG A 58 -17.467 25.478 -10.651 1.00 0.00 O ATOM 885 CB ARG A 58 -15.977 26.021 -13.391 1.00 0.00 C ATOM 886 CG ARG A 58 -14.768 25.985 -12.440 1.00 0.00 C ATOM 887 CD ARG A 58 -13.460 25.634 -13.164 1.00 0.00 C ATOM 888 NE ARG A 58 -13.460 24.248 -13.674 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.521 23.676 -14.408 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.444 24.311 -14.778 1.00 0.00 N ATOM 891 NH2 ARG A 58 -12.647 22.438 -14.791 1.00 0.00 N ATOM 0 H ARG A 58 -16.834 28.306 -13.886 1.00 0.00 H new ATOM 0 HA ARG A 58 -18.091 25.880 -13.061 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -16.160 25.010 -13.754 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.716 26.628 -14.258 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.662 26.956 -11.955 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.951 25.254 -11.653 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.309 26.325 -13.994 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.621 25.768 -12.481 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.268 23.673 -13.435 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.304 25.283 -14.501 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.741 23.836 -15.344 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.474 21.903 -14.525 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.919 22.003 -15.357 1.00 0.00 H new ATOM 905 N ASN A 59 -17.316 27.724 -10.607 1.00 0.00 N ATOM 906 CA ASN A 59 -17.535 27.905 -9.165 1.00 0.00 C ATOM 907 C ASN A 59 -18.972 27.531 -8.716 1.00 0.00 C ATOM 908 O ASN A 59 -19.234 27.318 -7.531 1.00 0.00 O ATOM 909 CB ASN A 59 -17.218 29.379 -8.851 1.00 0.00 C ATOM 910 CG ASN A 59 -17.375 29.809 -7.397 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.134 29.062 -6.460 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.719 31.057 -7.166 1.00 0.00 N ATOM 0 H ASN A 59 -17.136 28.603 -11.093 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.884 27.230 -8.609 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.192 29.581 -9.159 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.864 30.006 -9.465 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.784 31.399 -6.207 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.921 31.683 -7.946 1.00 0.00 H new ATOM 919 N GLY A 60 -19.913 27.442 -9.662 1.00 0.00 N ATOM 920 CA GLY A 60 -21.342 27.219 -9.415 1.00 0.00 C ATOM 921 C GLY A 60 -22.142 28.517 -9.238 1.00 0.00 C ATOM 922 O GLY A 60 -23.294 28.466 -8.803 1.00 0.00 O ATOM 0 H GLY A 60 -19.693 27.526 -10.655 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.762 26.653 -10.246 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.457 26.606 -8.521 1.00 0.00 H new ATOM 926 N MET A 61 -21.547 29.674 -9.563 1.00 0.00 N ATOM 927 CA MET A 61 -22.165 30.999 -9.473 1.00 0.00 C ATOM 928 C MET A 61 -22.329 31.640 -10.858 1.00 0.00 C ATOM 929 O MET A 61 -21.498 31.452 -11.749 1.00 0.00 O ATOM 930 CB MET A 61 -21.314 31.858 -8.525 1.00 0.00 C ATOM 931 CG MET A 61 -21.964 33.196 -8.141 1.00 0.00 C ATOM 932 SD MET A 61 -23.628 33.112 -7.419 1.00 0.00 S ATOM 933 CE MET A 61 -23.249 32.372 -5.806 1.00 0.00 C ATOM 0 H MET A 61 -20.588 29.711 -9.908 1.00 0.00 H new ATOM 0 HA MET A 61 -23.174 30.915 -9.070 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.114 31.289 -7.617 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.351 32.056 -8.996 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.309 33.702 -7.431 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.010 33.821 -9.033 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.170 32.252 -5.235 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.784 31.397 -5.953 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.565 33.021 -5.259 1.00 0.00 H new ATOM 943 N GLU A 62 -23.388 32.428 -11.039 1.00 0.00 N ATOM 944 CA GLU A 62 -23.639 33.197 -12.263 1.00 0.00 C ATOM 945 C GLU A 62 -22.590 34.310 -12.426 1.00 0.00 C ATOM 946 O GLU A 62 -22.554 35.274 -11.656 1.00 0.00 O ATOM 947 CB GLU A 62 -25.068 33.768 -12.259 1.00 0.00 C ATOM 948 CG GLU A 62 -26.129 32.664 -12.365 1.00 0.00 C ATOM 949 CD GLU A 62 -27.548 33.264 -12.402 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.165 33.450 -11.324 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.064 33.548 -13.511 1.00 0.00 O ATOM 0 H GLU A 62 -24.109 32.554 -10.329 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.551 32.529 -13.119 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.228 34.338 -11.344 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.183 34.463 -13.091 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.956 32.074 -13.265 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.039 31.986 -11.517 1.00 0.00 H new ATOM 958 N GLY A 63 -21.710 34.154 -13.415 1.00 0.00 N ATOM 959 CA GLY A 63 -20.687 35.128 -13.780 1.00 0.00 C ATOM 960 C GLY A 63 -21.180 36.159 -14.800 1.00 0.00 C ATOM 961 O GLY A 63 -21.989 35.844 -15.674 1.00 0.00 O ATOM 0 H GLY A 63 -21.691 33.319 -14.001 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.349 35.646 -12.882 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.824 34.604 -14.190 1.00 0.00 H new ATOM 965 N THR A 64 -20.653 37.385 -14.738 1.00 0.00 N ATOM 966 CA THR A 64 -20.942 38.454 -15.712 1.00 0.00 C ATOM 967 C THR A 64 -19.741 38.758 -16.601 1.00 0.00 C ATOM 968 O THR A 64 -18.607 38.807 -16.126 1.00 0.00 O ATOM 969 CB THR A 64 -21.421 39.739 -15.017 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.567 39.474 -14.235 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.800 40.852 -16.002 1.00 0.00 C ATOM 0 H THR A 64 -20.006 37.672 -14.004 1.00 0.00 H new ATOM 0 HA THR A 64 -21.747 38.082 -16.346 1.00 0.00 H new ATOM 0 HB THR A 64 -20.581 40.074 -14.409 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.862 40.299 -13.796 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.130 41.731 -15.448 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.933 41.110 -16.610 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.607 40.507 -16.648 1.00 0.00 H new ATOM 979 N LEU A 65 -20.000 38.955 -17.896 1.00 0.00 N ATOM 980 CA LEU A 65 -19.000 39.115 -18.950 1.00 0.00 C ATOM 981 C LEU A 65 -18.004 40.267 -18.724 1.00 0.00 C ATOM 982 O LEU A 65 -18.386 41.434 -18.606 1.00 0.00 O ATOM 983 CB LEU A 65 -19.759 39.262 -20.282 1.00 0.00 C ATOM 984 CG LEU A 65 -18.896 39.211 -21.552 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.295 37.846 -21.802 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.745 39.595 -22.766 1.00 0.00 C ATOM 0 H LEU A 65 -20.954 39.009 -18.252 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.362 38.231 -18.954 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.507 38.471 -20.342 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.297 40.210 -20.269 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.078 39.915 -21.402 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.697 37.873 -22.713 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.662 37.567 -20.960 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.093 37.112 -21.914 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -19.131 39.558 -23.666 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.576 38.896 -22.865 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.134 40.605 -22.633 1.00 0.00 H new