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= 1.08 K(o=1,f=0.0065) USER MOD Set 1.2: A 59 ASN :FLIP amide:sc= -0.0391 F(o=0.46,f=1) USER MOD Single : A 29 GLN : amide:sc= 0.73 K(o=0.73,f=0) USER MOD Single : A 33 TYR OH : rot -168:sc= 0.364 USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.236 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.6 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 -14.194 31.130 -29.578 1.00 0.00 N ATOM 438 CA GLN A 29 -14.152 32.409 -28.861 1.00 0.00 C ATOM 439 C GLN A 29 -14.063 32.129 -27.356 1.00 0.00 C ATOM 440 O GLN A 29 -15.015 31.647 -26.747 1.00 0.00 O ATOM 441 CB GLN A 29 -15.428 33.233 -29.130 1.00 0.00 C ATOM 442 CG GLN A 29 -15.764 33.476 -30.612 1.00 0.00 C ATOM 443 CD GLN A 29 -17.133 32.917 -30.983 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.994 33.596 -31.526 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.366 31.654 -30.701 1.00 0.00 N ATOM 0 HA GLN A 29 -13.286 32.974 -29.206 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.272 32.725 -28.664 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.325 34.199 -28.636 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.740 34.546 -30.819 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.001 33.013 -31.238 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.646 31.091 -30.248 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.267 31.237 -30.935 1.00 0.00 H new ATOM 454 N ILE A 30 -12.926 32.421 -26.740 1.00 0.00 N ATOM 455 CA ILE A 30 -12.738 32.275 -25.289 1.00 0.00 C ATOM 456 C ILE A 30 -13.171 33.573 -24.593 1.00 0.00 C ATOM 457 O ILE A 30 -12.426 34.560 -24.569 1.00 0.00 O ATOM 458 CB ILE A 30 -11.286 31.887 -24.917 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.636 30.838 -25.846 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.275 31.416 -23.449 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.381 29.510 -25.990 1.00 0.00 C ATOM 0 H ILE A 30 -12.100 32.768 -27.228 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.363 31.453 -24.942 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.669 32.775 -25.051 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -10.527 31.279 -26.837 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.632 30.629 -25.477 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.261 31.137 -23.164 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.624 32.224 -22.805 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.933 30.554 -23.338 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.830 28.855 -26.665 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.468 29.034 -25.013 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -12.377 29.693 -26.394 1.00 0.00 H new ATOM 473 N ALA A 31 -14.348 33.565 -23.973 1.00 0.00 N ATOM 474 CA ALA A 31 -14.828 34.668 -23.147 1.00 0.00 C ATOM 475 C ALA A 31 -14.535 34.382 -21.667 1.00 0.00 C ATOM 476 O ALA A 31 -14.201 33.262 -21.278 1.00 0.00 O ATOM 477 CB ALA A 31 -16.321 34.879 -23.411 1.00 0.00 C ATOM 0 H ALA A 31 -15.002 32.784 -24.031 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.306 35.589 -23.405 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.686 35.702 -22.797 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.474 35.116 -24.464 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.867 33.969 -23.161 1.00 0.00 H new ATOM 483 N ARG A 32 -14.615 35.417 -20.834 1.00 0.00 N ATOM 484 CA ARG A 32 -14.371 35.348 -19.388 1.00 0.00 C ATOM 485 C ARG A 32 -15.504 35.999 -18.624 1.00 0.00 C ATOM 486 O ARG A 32 -16.096 36.966 -19.098 1.00 0.00 O ATOM 487 CB ARG A 32 -13.030 36.013 -19.064 1.00 0.00 C ATOM 488 CG ARG A 32 -11.865 35.022 -19.186 1.00 0.00 C ATOM 489 CD ARG A 32 -10.656 35.675 -19.847 1.00 0.00 C ATOM 490 NE ARG A 32 -10.808 35.697 -21.319 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.907 36.066 -22.209 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.724 36.484 -21.858 1.00 0.00 N ATOM 493 NH2 ARG A 32 -10.178 36.027 -23.481 1.00 0.00 N ATOM 0 H ARG A 32 -14.858 36.355 -21.152 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.326 34.303 -19.080 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.867 36.853 -19.740 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.059 36.419 -18.053 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.589 34.656 -18.197 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.179 34.157 -19.769 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.538 36.692 -19.474 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.751 35.130 -19.579 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.710 35.393 -21.686 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.473 36.533 -20.871 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.049 36.762 -22.571 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.094 35.709 -23.798 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.475 36.314 -24.161 1.00 0.00 H new ATOM 507 N TYR A 33 -15.775 35.477 -17.434 1.00 0.00 N ATOM 508 CA TYR A 33 -16.885 35.914 -16.589 1.00 0.00 C ATOM 509 C TYR A 33 -16.484 36.008 -15.110 1.00 0.00 C ATOM 510 O TYR A 33 -15.796 35.126 -14.592 1.00 0.00 O ATOM 511 CB TYR A 33 -18.080 34.976 -16.777 1.00 0.00 C ATOM 512 CG TYR A 33 -18.664 34.906 -18.172 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.078 34.085 -19.154 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.827 35.634 -18.469 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.677 33.975 -20.422 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.423 35.532 -19.737 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.871 34.672 -20.702 1.00 0.00 C ATOM 518 OH TYR A 33 -20.515 34.496 -21.881 1.00 0.00 O ATOM 0 H TYR A 33 -15.222 34.726 -17.020 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.169 36.920 -16.899 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.776 33.971 -16.482 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.869 35.285 -16.091 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.171 33.541 -18.934 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.266 36.276 -17.719 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.222 33.356 -21.182 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.303 36.113 -19.970 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.204 35.186 -21.984 1.00 0.00 H new ATOM 528 N ARG A 34 -16.934 37.071 -14.427 1.00 0.00 N ATOM 529 CA ARG A 34 -16.693 37.330 -12.992 1.00 0.00 C ATOM 530 C ARG A 34 -17.931 37.033 -12.150 1.00 0.00 C ATOM 531 O ARG A 34 -19.000 37.579 -12.416 1.00 0.00 O ATOM 532 CB ARG A 34 -16.207 38.776 -12.776 1.00 0.00 C ATOM 533 CG ARG A 34 -15.647 38.965 -11.358 1.00 0.00 C ATOM 534 CD ARG A 34 -14.763 40.217 -11.249 1.00 0.00 C ATOM 535 NE ARG A 34 -13.746 40.046 -10.195 1.00 0.00 N ATOM 536 CZ ARG A 34 -13.032 40.977 -9.594 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.170 42.247 -9.854 1.00 0.00 N ATOM 538 NH2 ARG A 34 -12.157 40.627 -8.696 1.00 0.00 N ATOM 0 H ARG A 34 -17.494 37.800 -14.869 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.907 36.652 -12.659 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.438 39.018 -13.509 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.032 39.469 -12.940 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.472 39.041 -10.650 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.067 38.086 -11.078 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.275 40.408 -12.205 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -15.381 41.087 -11.027 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.573 39.087 -9.893 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.852 42.554 -10.547 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.596 42.933 -9.364 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.030 39.642 -8.464 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.598 41.338 -8.224 1.00 0.00 H new ATOM 552 N THR A 35 -17.784 36.179 -11.141 1.00 0.00 N ATOM 553 CA THR A 35 -18.865 35.748 -10.235 1.00 0.00 C ATOM 554 C THR A 35 -19.156 36.798 -9.162 1.00 0.00 C ATOM 555 O THR A 35 -18.462 37.811 -9.041 1.00 0.00 O ATOM 556 CB THR A 35 -18.559 34.421 -9.534 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.443 34.568 -8.711 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.323 33.271 -10.492 1.00 0.00 C ATOM 0 H THR A 35 -16.886 35.750 -10.918 1.00 0.00 H new ATOM 0 HA THR A 35 -19.737 35.616 -10.875 1.00 0.00 H new ATOM 0 HB THR A 35 -19.444 34.172 -8.949 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.651 34.744 -9.261 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.112 32.364 -9.926 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.212 33.119 -11.104 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.475 33.502 -11.136 1.00 0.00 H new ATOM 566 N ASP A 36 -20.154 36.531 -8.320 1.00 0.00 N ATOM 567 CA ASP A 36 -20.576 37.460 -7.275 1.00 0.00 C ATOM 568 C ASP A 36 -19.591 37.566 -6.095 1.00 0.00 C ATOM 569 O ASP A 36 -19.641 38.554 -5.357 1.00 0.00 O ATOM 570 CB ASP A 36 -21.993 37.080 -6.819 1.00 0.00 C ATOM 571 CG ASP A 36 -22.634 38.150 -5.917 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.888 39.279 -6.403 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.924 37.856 -4.731 1.00 0.00 O ATOM 0 H ASP A 36 -20.692 35.665 -8.344 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.583 38.463 -7.702 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.623 36.925 -7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.955 36.133 -6.281 1.00 0.00 H new ATOM 578 N ASN A 37 -18.645 36.623 -5.941 1.00 0.00 N ATOM 579 CA ASN A 37 -17.560 36.765 -4.954 1.00 0.00 C ATOM 580 C ASN A 37 -16.306 37.460 -5.540 1.00 0.00 C ATOM 581 O ASN A 37 -15.281 37.570 -4.863 1.00 0.00 O ATOM 582 CB ASN A 37 -17.198 35.420 -4.309 1.00 0.00 C ATOM 583 CG ASN A 37 -18.339 34.465 -4.018 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.432 34.824 -3.604 1.00 0.00 O ATOM 585 ND2 ASN A 37 -18.081 33.194 -4.205 1.00 0.00 N ATOM 0 H ASN A 37 -18.609 35.760 -6.483 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.945 37.418 -4.171 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.489 34.911 -4.962 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.679 35.623 -3.372 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.795 32.494 -4.005 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.166 32.905 -4.551 1.00 0.00 H new ATOM 592 N GLY A 38 -16.356 37.878 -6.813 1.00 0.00 N ATOM 593 CA GLY A 38 -15.205 38.341 -7.596 1.00 0.00 C ATOM 594 C GLY A 38 -14.393 37.235 -8.264 1.00 0.00 C ATOM 595 O GLY A 38 -13.346 37.533 -8.840 1.00 0.00 O ATOM 0 H GLY A 38 -17.228 37.903 -7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.560 39.026 -8.366 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.545 38.911 -6.942 1.00 0.00 H new ATOM 599 N GLU A 39 -14.833 35.978 -8.193 1.00 0.00 N ATOM 600 CA GLU A 39 -14.098 34.834 -8.751 1.00 0.00 C ATOM 601 C GLU A 39 -14.244 34.831 -10.278 1.00 0.00 C ATOM 602 O GLU A 39 -15.360 34.765 -10.789 1.00 0.00 O ATOM 603 CB GLU A 39 -14.568 33.492 -8.150 1.00 0.00 C ATOM 604 CG GLU A 39 -14.958 33.579 -6.669 1.00 0.00 C ATOM 605 CD GLU A 39 -14.751 32.305 -5.830 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.787 31.534 -6.058 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.551 32.113 -4.881 1.00 0.00 O ATOM 0 H GLU A 39 -15.713 35.720 -7.746 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.046 34.943 -8.486 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.423 33.129 -8.720 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.773 32.755 -8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.385 34.386 -6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.009 33.861 -6.609 1.00 0.00 H new ATOM 614 N GLU A 40 -13.142 34.919 -11.014 1.00 0.00 N ATOM 615 CA GLU A 40 -13.144 35.005 -12.483 1.00 0.00 C ATOM 616 C GLU A 40 -12.778 33.661 -13.135 1.00 0.00 C ATOM 617 O GLU A 40 -11.770 33.038 -12.789 1.00 0.00 O ATOM 618 CB GLU A 40 -12.158 36.086 -12.950 1.00 0.00 C ATOM 619 CG GLU A 40 -12.626 37.494 -12.579 1.00 0.00 C ATOM 620 CD GLU A 40 -11.547 38.544 -12.907 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.425 38.949 -14.087 1.00 0.00 O ATOM 622 OE2 GLU A 40 -10.810 38.969 -11.983 1.00 0.00 O ATOM 0 H GLU A 40 -12.206 34.933 -10.609 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.155 35.267 -12.793 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.181 35.901 -12.505 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.034 36.019 -14.031 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.543 37.730 -13.120 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.864 37.533 -11.516 1.00 0.00 H new ATOM 629 N PHE A 41 -13.595 33.234 -14.106 1.00 0.00 N ATOM 630 CA PHE A 41 -13.438 31.992 -14.875 1.00 0.00 C ATOM 631 C PHE A 41 -13.511 32.240 -16.387 1.00 0.00 C ATOM 632 O PHE A 41 -14.001 33.274 -16.846 1.00 0.00 O ATOM 633 CB PHE A 41 -14.512 30.977 -14.453 1.00 0.00 C ATOM 634 CG PHE A 41 -14.405 30.513 -13.012 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.973 31.265 -11.965 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.710 29.324 -12.716 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.813 30.837 -10.642 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.542 28.908 -11.385 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.086 29.671 -10.343 1.00 0.00 C ATOM 0 H PHE A 41 -14.418 33.766 -14.389 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.448 31.590 -14.657 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.495 31.422 -14.607 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.450 30.108 -15.107 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.528 32.166 -12.182 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.303 28.727 -13.519 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.254 31.410 -9.840 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.995 28.003 -11.165 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.948 29.365 -9.316 1.00 0.00 H new ATOM 649 N GLU A 42 -13.049 31.266 -17.171 1.00 0.00 N ATOM 650 CA GLU A 42 -13.044 31.294 -18.635 1.00 0.00 C ATOM 651 C GLU A 42 -14.055 30.296 -19.221 1.00 0.00 C ATOM 652 O GLU A 42 -14.167 29.160 -18.752 1.00 0.00 O ATOM 653 CB GLU A 42 -11.642 31.017 -19.214 1.00 0.00 C ATOM 654 CG GLU A 42 -10.471 31.718 -18.505 1.00 0.00 C ATOM 655 CD GLU A 42 -9.764 30.784 -17.499 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.156 30.746 -16.308 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.800 30.083 -17.895 1.00 0.00 O ATOM 0 H GLU A 42 -12.654 30.405 -16.792 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.339 32.303 -18.924 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.466 29.942 -19.188 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.638 31.316 -20.262 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.751 32.063 -19.247 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.839 32.601 -17.983 1.00 0.00 H new ATOM 664 N VAL A 43 -14.764 30.712 -20.272 1.00 0.00 N ATOM 665 CA VAL A 43 -15.745 29.898 -21.011 1.00 0.00 C ATOM 666 C VAL A 43 -15.453 29.944 -22.523 1.00 0.00 C ATOM 667 O VAL A 43 -15.673 30.978 -23.163 1.00 0.00 O ATOM 668 CB VAL A 43 -17.188 30.355 -20.721 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.201 29.400 -21.364 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.499 30.448 -19.222 1.00 0.00 C ATOM 0 H VAL A 43 -14.672 31.655 -20.649 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.650 28.867 -20.669 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.273 31.353 -21.151 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.213 29.742 -21.146 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.049 29.381 -22.443 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.062 28.397 -20.960 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.530 30.775 -19.084 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.364 29.470 -18.761 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.825 31.166 -18.754 1.00 0.00 H new ATOM 680 N PRO A 44 -14.982 28.837 -23.126 1.00 0.00 N ATOM 681 CA PRO A 44 -14.882 28.671 -24.571 1.00 0.00 C ATOM 682 C PRO A 44 -16.264 28.533 -25.228 1.00 0.00 C ATOM 683 O PRO A 44 -17.085 27.701 -24.830 1.00 0.00 O ATOM 684 CB PRO A 44 -14.033 27.414 -24.800 1.00 0.00 C ATOM 685 CG PRO A 44 -13.326 27.174 -23.469 1.00 0.00 C ATOM 686 CD PRO A 44 -14.317 27.736 -22.456 1.00 0.00 C ATOM 0 HA PRO A 44 -14.425 29.548 -25.028 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.654 26.562 -25.077 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.316 27.562 -25.608 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.131 26.115 -23.300 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.365 27.687 -23.423 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.034 26.976 -22.147 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.806 28.077 -21.556 1.00 0.00 H new ATOM 694 N PHE A 45 -16.490 29.323 -26.272 1.00 0.00 N ATOM 695 CA PHE A 45 -17.654 29.264 -27.171 1.00 0.00 C ATOM 696 C PHE A 45 -17.237 28.888 -28.595 1.00 0.00 C ATOM 697 O PHE A 45 -16.224 29.372 -29.089 1.00 0.00 O ATOM 698 CB PHE A 45 -18.372 30.618 -27.184 1.00 0.00 C ATOM 699 CG PHE A 45 -19.214 30.887 -25.951 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.612 31.422 -24.798 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.597 30.615 -25.952 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.385 31.678 -23.655 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.367 30.868 -24.801 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.758 31.392 -23.647 1.00 0.00 C ATOM 0 H PHE A 45 -15.837 30.062 -26.534 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.330 28.494 -26.798 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.629 31.410 -27.283 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.011 30.669 -28.065 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.553 31.636 -24.792 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.067 30.212 -26.837 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.919 32.098 -22.776 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.427 30.659 -24.804 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.345 31.573 -22.759 1.00 0.00 H new ATOM 714 N ALA A 46 -18.036 28.093 -29.298 1.00 0.00 N ATOM 715 CA ALA A 46 -17.804 27.738 -30.701 1.00 0.00 C ATOM 716 C ALA A 46 -18.361 28.815 -31.648 1.00 0.00 C ATOM 717 O ALA A 46 -19.247 29.581 -31.272 1.00 0.00 O ATOM 718 CB ALA A 46 -18.421 26.360 -30.969 1.00 0.00 C ATOM 0 H ALA A 46 -18.877 27.669 -28.907 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.733 27.687 -30.895 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.255 26.083 -32.010 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -17.955 25.620 -30.318 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.492 26.396 -30.769 1.00 0.00 H new ATOM 724 N ASP A 47 -17.882 28.868 -32.893 1.00 0.00 N ATOM 725 CA ASP A 47 -18.337 29.820 -33.925 1.00 0.00 C ATOM 726 C ASP A 47 -19.839 29.688 -34.271 1.00 0.00 C ATOM 727 O ASP A 47 -20.456 30.627 -34.777 1.00 0.00 O ATOM 728 CB ASP A 47 -17.460 29.627 -35.171 1.00 0.00 C ATOM 729 CG ASP A 47 -17.776 30.636 -36.289 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.462 31.840 -36.124 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.298 30.221 -37.352 1.00 0.00 O ATOM 0 H ASP A 47 -17.151 28.239 -33.225 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.229 30.830 -33.529 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.411 29.722 -34.889 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.597 28.615 -35.552 1.00 0.00 H new ATOM 736 N ASP A 48 -20.449 28.540 -33.956 1.00 0.00 N ATOM 737 CA ASP A 48 -21.899 28.299 -34.058 1.00 0.00 C ATOM 738 C ASP A 48 -22.723 29.044 -32.978 1.00 0.00 C ATOM 739 O ASP A 48 -23.945 29.165 -33.098 1.00 0.00 O ATOM 740 CB ASP A 48 -22.127 26.783 -33.984 1.00 0.00 C ATOM 741 CG ASP A 48 -23.577 26.377 -34.305 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.026 26.590 -35.457 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.257 25.799 -33.422 1.00 0.00 O ATOM 0 H ASP A 48 -19.936 27.728 -33.613 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.253 28.699 -35.008 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.453 26.285 -34.681 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.869 26.431 -32.985 1.00 0.00 H new ATOM 748 N ALA A 49 -22.060 29.557 -31.936 1.00 0.00 N ATOM 749 CA ALA A 49 -22.639 30.284 -30.802 1.00 0.00 C ATOM 750 C ALA A 49 -22.150 31.747 -30.723 1.00 0.00 C ATOM 751 O ALA A 49 -21.124 32.116 -31.299 1.00 0.00 O ATOM 752 CB ALA A 49 -22.306 29.510 -29.519 1.00 0.00 C ATOM 0 H ALA A 49 -21.047 29.471 -31.857 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.719 30.346 -30.934 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.727 30.032 -28.660 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.730 28.508 -29.578 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.224 29.440 -29.407 1.00 0.00 H new ATOM 758 N GLU A 50 -22.868 32.580 -29.962 1.00 0.00 N ATOM 759 CA GLU A 50 -22.489 33.964 -29.634 1.00 0.00 C ATOM 760 C GLU A 50 -22.614 34.231 -28.127 1.00 0.00 C ATOM 761 O GLU A 50 -23.576 33.803 -27.488 1.00 0.00 O ATOM 762 CB GLU A 50 -23.339 34.976 -30.420 1.00 0.00 C ATOM 763 CG GLU A 50 -22.910 35.068 -31.888 1.00 0.00 C ATOM 764 CD GLU A 50 -23.819 36.032 -32.671 1.00 0.00 C ATOM 765 OE1 GLU A 50 -23.521 37.251 -32.724 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.841 35.582 -33.248 1.00 0.00 O ATOM 0 H GLU A 50 -23.756 32.304 -29.543 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.446 34.091 -29.923 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.389 34.687 -30.366 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.255 35.958 -29.955 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.876 35.409 -31.947 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.946 34.078 -32.343 1.00 0.00 H new ATOM 773 N ILE A 51 -21.635 34.960 -27.584 1.00 0.00 N ATOM 774 CA ILE A 51 -21.415 35.267 -26.165 1.00 0.00 C ATOM 775 C ILE A 51 -22.600 36.039 -25.560 1.00 0.00 C ATOM 776 O ILE A 51 -22.818 37.210 -25.898 1.00 0.00 O ATOM 777 CB ILE A 51 -20.110 36.067 -25.934 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.927 35.640 -26.831 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.703 35.990 -24.452 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.455 34.196 -26.660 1.00 0.00 C ATOM 0 H ILE A 51 -20.918 35.385 -28.171 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.323 34.305 -25.661 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.338 37.094 -26.218 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.212 35.789 -27.872 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.086 36.304 -26.632 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.784 36.555 -24.297 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.496 36.411 -23.834 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.540 34.949 -24.173 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.622 34.003 -27.336 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.131 34.038 -25.631 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.275 33.516 -26.891 1.00 0.00 H new ATOM 792 N PRO A 52 -23.377 35.410 -24.668 1.00 0.00 N ATOM 793 CA PRO A 52 -24.374 36.090 -23.859 1.00 0.00 C ATOM 794 C PRO A 52 -23.703 36.969 -22.790 1.00 0.00 C ATOM 795 O PRO A 52 -22.617 36.656 -22.295 1.00 0.00 O ATOM 796 CB PRO A 52 -25.216 34.966 -23.257 1.00 0.00 C ATOM 797 CG PRO A 52 -24.238 33.799 -23.143 1.00 0.00 C ATOM 798 CD PRO A 52 -23.243 34.021 -24.275 1.00 0.00 C ATOM 0 HA PRO A 52 -24.994 36.776 -24.436 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.620 35.246 -22.284 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.064 34.716 -23.894 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.740 33.792 -22.173 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.749 32.842 -23.246 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.226 33.806 -23.947 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.454 33.358 -25.114 1.00 0.00 H new ATOM 806 N GLY A 53 -24.372 38.065 -22.415 1.00 0.00 N ATOM 807 CA GLY A 53 -23.925 39.036 -21.402 1.00 0.00 C ATOM 808 C GLY A 53 -23.481 38.424 -20.066 1.00 0.00 C ATOM 809 O GLY A 53 -22.604 38.972 -19.392 1.00 0.00 O ATOM 0 H GLY A 53 -25.274 38.312 -22.822 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.096 39.612 -21.814 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.737 39.738 -21.211 1.00 0.00 H new ATOM 813 N THR A 54 -24.056 37.281 -19.678 1.00 0.00 N ATOM 814 CA THR A 54 -23.625 36.499 -18.514 1.00 0.00 C ATOM 815 C THR A 54 -23.656 34.983 -18.773 1.00 0.00 C ATOM 816 O THR A 54 -24.332 34.511 -19.693 1.00 0.00 O ATOM 817 CB THR A 54 -24.533 36.779 -17.295 1.00 0.00 C ATOM 818 OG1 THR A 54 -25.874 36.430 -17.584 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.604 38.248 -16.889 1.00 0.00 C ATOM 0 H THR A 54 -24.847 36.866 -20.172 1.00 0.00 H new ATOM 0 HA THR A 54 -22.598 36.808 -18.317 1.00 0.00 H new ATOM 0 HB THR A 54 -24.085 36.190 -16.495 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.435 36.612 -16.801 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.262 38.356 -16.026 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.606 38.603 -16.631 1.00 0.00 H new ATOM 0 HG23 THR A 54 -24.995 38.836 -17.719 1.00 0.00 H new ATOM 827 N TRP A 55 -22.922 34.208 -17.962 1.00 0.00 N ATOM 828 CA TRP A 55 -22.817 32.744 -18.057 1.00 0.00 C ATOM 829 C TRP A 55 -22.414 32.105 -16.714 1.00 0.00 C ATOM 830 O TRP A 55 -21.677 32.699 -15.925 1.00 0.00 O ATOM 831 CB TRP A 55 -21.796 32.383 -19.144 1.00 0.00 C ATOM 832 CG TRP A 55 -21.789 30.946 -19.567 1.00 0.00 C ATOM 833 CD1 TRP A 55 -20.998 29.986 -19.048 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.584 30.280 -20.596 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.204 28.794 -19.707 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.183 28.912 -20.669 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.594 30.699 -21.484 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.749 28.009 -21.583 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.177 29.804 -22.404 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.755 28.462 -22.456 1.00 0.00 C ATOM 0 H TRP A 55 -22.368 34.594 -17.198 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.798 32.348 -18.318 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -21.990 33.001 -20.021 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.800 32.643 -18.784 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.303 30.130 -18.234 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.696 27.932 -19.508 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.928 31.726 -21.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.417 26.982 -21.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.952 30.150 -23.073 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.203 27.781 -23.165 1.00 0.00 H new ATOM 851 N LEU A 56 -22.880 30.884 -16.432 1.00 0.00 N ATOM 852 CA LEU A 56 -22.582 30.167 -15.186 1.00 0.00 C ATOM 853 C LEU A 56 -21.110 29.714 -15.131 1.00 0.00 C ATOM 854 O LEU A 56 -20.621 29.022 -16.027 1.00 0.00 O ATOM 855 CB LEU A 56 -23.561 28.985 -15.034 1.00 0.00 C ATOM 856 CG LEU A 56 -24.202 28.878 -13.640 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.331 27.849 -13.660 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.194 28.440 -12.580 1.00 0.00 C ATOM 0 H LEU A 56 -23.481 30.360 -17.068 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.721 30.843 -14.342 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.351 29.083 -15.779 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.031 28.058 -15.251 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.578 29.870 -13.389 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.778 27.781 -12.668 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.090 28.155 -14.380 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.931 26.876 -13.946 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.689 28.377 -11.611 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.789 27.463 -12.844 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.383 29.166 -12.527 1.00 0.00 H new ATOM 870 N CYS A 57 -20.405 30.091 -14.066 1.00 0.00 N ATOM 871 CA CYS A 57 -18.988 29.787 -13.854 1.00 0.00 C ATOM 872 C CYS A 57 -18.770 28.498 -13.049 1.00 0.00 C ATOM 873 O CYS A 57 -19.666 28.025 -12.344 1.00 0.00 O ATOM 874 CB CYS A 57 -18.329 30.987 -13.168 1.00 0.00 C ATOM 875 SG CYS A 57 -18.236 32.361 -14.335 1.00 0.00 S ATOM 0 H CYS A 57 -20.814 30.632 -13.304 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.525 29.609 -14.824 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.904 31.279 -12.289 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.330 30.720 -12.822 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.679 33.384 -13.758 1.00 0.00 H new ATOM 881 N ARG A 58 -17.542 27.961 -13.089 1.00 0.00 N ATOM 882 CA ARG A 58 -17.181 26.684 -12.437 1.00 0.00 C ATOM 883 C ARG A 58 -17.242 26.719 -10.901 1.00 0.00 C ATOM 884 O ARG A 58 -17.296 25.665 -10.270 1.00 0.00 O ATOM 885 CB ARG A 58 -15.798 26.196 -12.912 1.00 0.00 C ATOM 886 CG ARG A 58 -15.664 26.089 -14.442 1.00 0.00 C ATOM 887 CD ARG A 58 -14.311 25.497 -14.867 1.00 0.00 C ATOM 888 NE ARG A 58 -14.182 24.073 -14.497 1.00 0.00 N ATOM 889 CZ ARG A 58 -13.098 23.324 -14.607 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.975 23.790 -15.079 1.00 0.00 N ATOM 891 NH2 ARG A 58 -13.121 22.074 -14.239 1.00 0.00 N ATOM 0 H ARG A 58 -16.762 28.401 -13.577 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.946 25.973 -12.749 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.035 26.878 -12.537 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.597 25.220 -12.471 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.469 25.467 -14.833 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.781 27.078 -14.885 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.194 25.602 -15.946 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.506 26.066 -14.402 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.014 23.621 -14.118 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.912 24.763 -15.378 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.159 23.181 -15.149 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.978 21.669 -13.864 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -12.282 21.501 -14.326 1.00 0.00 H new ATOM 905 N ASN A 59 -17.305 27.914 -10.302 1.00 0.00 N ATOM 906 CA ASN A 59 -17.579 28.108 -8.871 1.00 0.00 C ATOM 907 C ASN A 59 -19.025 27.707 -8.471 1.00 0.00 C ATOM 908 O ASN A 59 -19.326 27.504 -7.295 1.00 0.00 O ATOM 909 CB ASN A 59 -17.307 29.591 -8.563 1.00 0.00 C ATOM 910 CG ASN A 59 -17.525 30.035 -7.124 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.877 31.286 -6.933 1.00 0.00 O flip ATOM 912 ND2 ASN A 59 -17.330 29.303 -6.165 1.00 0.00 N flip ATOM 0 H ASN A 59 -17.165 28.790 -10.806 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.933 27.455 -8.284 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.275 29.813 -8.836 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.945 30.196 -9.207 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.057 28.331 -6.312 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.441 29.664 -5.217 1.00 0.00 H new ATOM 919 N GLY A 60 -19.926 27.585 -9.450 1.00 0.00 N ATOM 920 CA GLY A 60 -21.362 27.347 -9.251 1.00 0.00 C ATOM 921 C GLY A 60 -22.188 28.637 -9.133 1.00 0.00 C ATOM 922 O GLY A 60 -23.349 28.583 -8.721 1.00 0.00 O ATOM 0 H GLY A 60 -19.670 27.651 -10.435 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.743 26.756 -10.084 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.502 26.752 -8.348 1.00 0.00 H new ATOM 926 N MET A 61 -21.599 29.792 -9.475 1.00 0.00 N ATOM 927 CA MET A 61 -22.225 31.115 -9.439 1.00 0.00 C ATOM 928 C MET A 61 -22.365 31.711 -10.847 1.00 0.00 C ATOM 929 O MET A 61 -21.531 31.477 -11.723 1.00 0.00 O ATOM 930 CB MET A 61 -21.400 32.015 -8.503 1.00 0.00 C ATOM 931 CG MET A 61 -22.063 33.361 -8.174 1.00 0.00 C ATOM 932 SD MET A 61 -23.744 33.291 -7.491 1.00 0.00 S ATOM 933 CE MET A 61 -23.400 32.601 -5.848 1.00 0.00 C ATOM 0 H MET A 61 -20.632 29.828 -9.798 1.00 0.00 H new ATOM 0 HA MET A 61 -23.240 31.034 -9.051 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.214 31.478 -7.573 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.430 32.204 -8.962 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.428 33.889 -7.463 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.089 33.960 -9.084 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.334 32.494 -5.296 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.927 31.625 -5.955 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.732 33.270 -5.305 1.00 0.00 H new ATOM 943 N GLU A 62 -23.408 32.510 -11.065 1.00 0.00 N ATOM 944 CA GLU A 62 -23.622 33.256 -12.309 1.00 0.00 C ATOM 945 C GLU A 62 -22.547 34.342 -12.477 1.00 0.00 C ATOM 946 O GLU A 62 -22.499 35.321 -11.727 1.00 0.00 O ATOM 947 CB GLU A 62 -25.038 33.856 -12.342 1.00 0.00 C ATOM 948 CG GLU A 62 -26.122 32.773 -12.432 1.00 0.00 C ATOM 949 CD GLU A 62 -27.527 33.400 -12.511 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.154 33.638 -11.449 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.023 33.653 -13.636 1.00 0.00 O ATOM 0 H GLU A 62 -24.141 32.661 -10.372 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.534 32.568 -13.150 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.198 34.455 -11.446 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.126 34.529 -13.195 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.948 32.152 -13.310 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.060 32.119 -11.562 1.00 0.00 H new ATOM 958 N GLY A 63 -21.652 34.143 -13.447 1.00 0.00 N ATOM 959 CA GLY A 63 -20.607 35.091 -13.821 1.00 0.00 C ATOM 960 C GLY A 63 -21.082 36.112 -14.856 1.00 0.00 C ATOM 961 O GLY A 63 -21.872 35.783 -15.743 1.00 0.00 O ATOM 0 H GLY A 63 -21.636 33.292 -14.009 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.262 35.616 -12.930 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.752 34.545 -14.220 1.00 0.00 H new ATOM 965 N THR A 64 -20.559 37.339 -14.799 1.00 0.00 N ATOM 966 CA THR A 64 -20.835 38.395 -15.789 1.00 0.00 C ATOM 967 C THR A 64 -19.625 38.678 -16.673 1.00 0.00 C ATOM 968 O THR A 64 -18.496 38.732 -16.187 1.00 0.00 O ATOM 969 CB THR A 64 -21.311 39.692 -15.116 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.462 39.443 -14.336 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.680 40.791 -16.120 1.00 0.00 C ATOM 0 H THR A 64 -19.924 37.635 -14.058 1.00 0.00 H new ATOM 0 HA THR A 64 -21.638 38.020 -16.424 1.00 0.00 H new ATOM 0 HB THR A 64 -20.473 40.033 -14.509 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.755 40.276 -13.911 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.008 41.680 -15.582 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.809 41.036 -16.728 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.485 40.439 -16.765 1.00 0.00 H new ATOM 979 N LEU A 65 -19.871 38.847 -17.974 1.00 0.00 N ATOM 980 CA LEU A 65 -18.858 38.991 -19.017 1.00 0.00 C ATOM 981 C LEU A 65 -17.916 40.186 -18.786 1.00 0.00 C ATOM 982 O LEU A 65 -18.367 41.330 -18.672 1.00 0.00 O ATOM 983 CB LEU A 65 -19.599 39.084 -20.365 1.00 0.00 C ATOM 984 CG LEU A 65 -18.711 39.005 -21.617 1.00 0.00 C ATOM 985 CD1 LEU A 65 -18.155 37.616 -21.846 1.00 0.00 C ATOM 986 CD2 LEU A 65 -19.520 39.407 -22.851 1.00 0.00 C ATOM 0 H LEU A 65 -20.821 38.889 -18.343 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.198 38.124 -19.004 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.334 38.281 -20.411 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.151 40.023 -20.392 1.00 0.00 H new ATOM 0 HG LEU A 65 -17.876 39.687 -21.455 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -17.535 37.615 -22.743 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -17.552 37.319 -20.988 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -18.977 36.911 -21.973 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.886 39.350 -23.736 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.367 38.731 -22.967 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -19.884 40.427 -22.731 1.00 0.00 H new