USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 329 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 78 LYS NZ :NH3+ 167:sc= 2.19 (180deg=1.05) USER MOD Set 1.2: A 82 SER OG : rot 180:sc= 0.864 USER MOD Set 2.1: A 56 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 60 MET CE :methyl -162:sc= -1.84 (180deg=-4.03!) USER MOD Set 3.1: A 33 ASN : amide:sc= 0.785 K(o=1.7,f=-0.49) USER MOD Set 3.2: A 37 GLN : amide:sc= 0.913 K(o=1.7,f=-0.0023) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc=-0.00862 X(o=-0.0086,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 42 ASN : amide:sc= 0.975 K(o=0.98,f=0) USER MOD Single : A 44 THR OG1 : rot 69:sc= 1.26 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.01 K(o=-2,f=-0.55) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.37) USER MOD Single : A 57 GLN : amide:sc= -0.0975 X(o=-0.098,f=-0.098) USER MOD Single : A 58 MET CE :methyl -171:sc= -0.0156 (180deg=-0.121) USER MOD Single : A 61 SER OG : rot 73:sc= 0.937 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 461 N LEU A 32 49.952 -12.288 16.662 1.00 10.00 N ATOM 462 CA LEU A 32 49.300 -12.865 15.480 1.00 10.00 C ATOM 463 C LEU A 32 50.337 -13.268 14.419 1.00 10.00 C ATOM 464 O LEU A 32 50.219 -14.308 13.778 1.00 10.00 O ATOM 465 CB LEU A 32 48.319 -11.804 14.937 1.00 10.00 C ATOM 466 CG LEU A 32 47.020 -12.338 14.303 1.00 10.00 C ATOM 467 CD1 LEU A 32 46.215 -11.151 13.767 1.00 10.00 C ATOM 468 CD2 LEU A 32 47.255 -13.326 13.162 1.00 10.00 C ATOM 0 HA LEU A 32 48.762 -13.776 15.744 1.00 10.00 H new ATOM 0 HB2 LEU A 32 48.051 -11.135 15.755 1.00 10.00 H new ATOM 0 HB3 LEU A 32 48.842 -11.204 14.192 1.00 10.00 H new ATOM 0 HG LEU A 32 46.484 -12.878 15.083 1.00 10.00 H new ATOM 0 HD11 LEU A 32 45.292 -11.512 13.315 1.00 10.00 H new ATOM 0 HD12 LEU A 32 45.977 -10.473 14.587 1.00 10.00 H new ATOM 0 HD13 LEU A 32 46.803 -10.621 13.018 1.00 10.00 H new ATOM 0 HD21 LEU A 32 46.296 -13.659 12.765 1.00 10.00 H new ATOM 0 HD22 LEU A 32 47.826 -12.839 12.371 1.00 10.00 H new ATOM 0 HD23 LEU A 32 47.812 -14.186 13.534 1.00 10.00 H new ATOM 480 N ASN A 33 51.404 -12.479 14.276 1.00 10.00 N ATOM 481 CA ASN A 33 52.517 -12.780 13.365 1.00 10.00 C ATOM 482 C ASN A 33 53.209 -14.107 13.746 1.00 10.00 C ATOM 483 O ASN A 33 53.524 -14.926 12.886 1.00 10.00 O ATOM 484 CB ASN A 33 53.490 -11.585 13.378 1.00 10.00 C ATOM 485 CG ASN A 33 54.430 -11.507 12.185 1.00 10.00 C ATOM 486 OD1 ASN A 33 54.536 -12.403 11.359 1.00 10.00 O ATOM 487 ND2 ASN A 33 55.168 -10.429 12.064 1.00 10.00 N ATOM 0 H ASN A 33 51.523 -11.607 14.791 1.00 10.00 H new ATOM 0 HA ASN A 33 52.144 -12.920 12.351 1.00 10.00 H new ATOM 0 HB2 ASN A 33 52.909 -10.664 13.424 1.00 10.00 H new ATOM 0 HB3 ASN A 33 54.087 -11.632 14.289 1.00 10.00 H new ATOM 0 HD21 ASN A 33 55.823 -10.344 11.286 1.00 10.00 H new ATOM 0 HD22 ASN A 33 55.087 -9.676 12.747 1.00 10.00 H new ATOM 494 N LYS A 34 53.346 -14.369 15.052 1.00 10.00 N ATOM 495 CA LYS A 34 53.781 -15.640 15.655 1.00 10.00 C ATOM 496 C LYS A 34 52.866 -16.799 15.263 1.00 10.00 C ATOM 497 O LYS A 34 53.351 -17.842 14.836 1.00 10.00 O ATOM 498 CB LYS A 34 53.865 -15.432 17.181 1.00 10.00 C ATOM 499 CG LYS A 34 53.958 -16.717 18.022 1.00 10.00 C ATOM 500 CD LYS A 34 54.216 -16.441 19.516 1.00 10.00 C ATOM 501 CE LYS A 34 53.299 -15.394 20.175 1.00 10.00 C ATOM 502 NZ LYS A 34 51.860 -15.770 20.150 1.00 10.00 N ATOM 0 H LYS A 34 53.145 -13.661 15.758 1.00 10.00 H new ATOM 0 HA LYS A 34 54.764 -15.920 15.277 1.00 10.00 H new ATOM 0 HB2 LYS A 34 54.736 -14.813 17.398 1.00 10.00 H new ATOM 0 HB3 LYS A 34 52.987 -14.871 17.502 1.00 10.00 H new ATOM 0 HG2 LYS A 34 53.031 -17.281 17.917 1.00 10.00 H new ATOM 0 HG3 LYS A 34 54.759 -17.344 17.630 1.00 10.00 H new ATOM 0 HD2 LYS A 34 54.115 -17.379 20.062 1.00 10.00 H new ATOM 0 HD3 LYS A 34 55.250 -16.115 19.632 1.00 10.00 H new ATOM 0 HE2 LYS A 34 53.611 -15.248 21.209 1.00 10.00 H new ATOM 0 HE3 LYS A 34 53.426 -14.439 19.666 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 51.298 -15.024 20.608 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 51.548 -15.882 19.164 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 51.727 -16.667 20.660 1.00 10.00 H new ATOM 516 N GLN A 35 51.551 -16.598 15.352 1.00 10.00 N ATOM 517 CA GLN A 35 50.552 -17.596 14.922 1.00 10.00 C ATOM 518 C GLN A 35 50.657 -17.906 13.422 1.00 10.00 C ATOM 519 O GLN A 35 50.581 -19.062 13.011 1.00 10.00 O ATOM 520 CB GLN A 35 49.127 -17.125 15.269 1.00 10.00 C ATOM 521 CG GLN A 35 48.873 -17.116 16.780 1.00 10.00 C ATOM 522 CD GLN A 35 47.596 -16.366 17.149 1.00 10.00 C ATOM 523 OE1 GLN A 35 46.481 -16.807 16.901 1.00 10.00 O ATOM 524 NE2 GLN A 35 47.710 -15.208 17.763 1.00 10.00 N ATOM 0 H GLN A 35 51.141 -15.741 15.723 1.00 10.00 H new ATOM 0 HA GLN A 35 50.764 -18.517 15.466 1.00 10.00 H new ATOM 0 HB2 GLN A 35 48.970 -16.123 14.870 1.00 10.00 H new ATOM 0 HB3 GLN A 35 48.402 -17.779 14.784 1.00 10.00 H new ATOM 0 HG2 GLN A 35 48.806 -18.142 17.141 1.00 10.00 H new ATOM 0 HG3 GLN A 35 49.721 -16.655 17.286 1.00 10.00 H new ATOM 0 HE21 GLN A 35 48.634 -14.832 17.974 1.00 10.00 H new ATOM 0 HE22 GLN A 35 46.874 -14.687 18.028 1.00 10.00 H new ATOM 533 N LEU A 36 50.879 -16.883 12.597 1.00 10.00 N ATOM 534 CA LEU A 36 50.990 -17.025 11.145 1.00 10.00 C ATOM 535 C LEU A 36 52.313 -17.653 10.699 1.00 10.00 C ATOM 536 O LEU A 36 52.314 -18.505 9.812 1.00 10.00 O ATOM 537 CB LEU A 36 50.746 -15.663 10.509 1.00 10.00 C ATOM 538 CG LEU A 36 50.577 -15.766 8.986 1.00 10.00 C ATOM 539 CD1 LEU A 36 49.498 -16.723 8.473 1.00 10.00 C ATOM 540 CD2 LEU A 36 50.163 -14.384 8.523 1.00 10.00 C ATOM 0 H LEU A 36 50.988 -15.922 12.921 1.00 10.00 H new ATOM 0 HA LEU A 36 50.231 -17.728 10.802 1.00 10.00 H new ATOM 0 HB2 LEU A 36 49.853 -15.214 10.944 1.00 10.00 H new ATOM 0 HB3 LEU A 36 51.581 -15.000 10.738 1.00 10.00 H new ATOM 0 HG LEU A 36 51.522 -16.151 8.604 1.00 10.00 H new ATOM 0 HD11 LEU A 36 49.482 -16.702 7.383 1.00 10.00 H new ATOM 0 HD12 LEU A 36 49.717 -17.735 8.814 1.00 10.00 H new ATOM 0 HD13 LEU A 36 48.526 -16.414 8.856 1.00 10.00 H new ATOM 0 HD21 LEU A 36 50.025 -14.389 7.442 1.00 10.00 H new ATOM 0 HD22 LEU A 36 49.227 -14.103 9.007 1.00 10.00 H new ATOM 0 HD23 LEU A 36 50.938 -13.664 8.787 1.00 10.00 H new ATOM 552 N GLN A 37 53.429 -17.304 11.339 1.00 10.00 N ATOM 553 CA GLN A 37 54.713 -17.979 11.127 1.00 10.00 C ATOM 554 C GLN A 37 54.694 -19.423 11.650 1.00 10.00 C ATOM 555 O GLN A 37 55.327 -20.290 11.055 1.00 10.00 O ATOM 556 CB GLN A 37 55.857 -17.172 11.760 1.00 10.00 C ATOM 557 CG GLN A 37 56.138 -15.881 10.971 1.00 10.00 C ATOM 558 CD GLN A 37 57.250 -15.045 11.603 1.00 10.00 C ATOM 559 OE1 GLN A 37 58.331 -15.524 11.928 1.00 10.00 O ATOM 560 NE2 GLN A 37 57.042 -13.761 11.797 1.00 10.00 N ATOM 0 H GLN A 37 53.470 -16.545 12.020 1.00 10.00 H new ATOM 0 HA GLN A 37 54.885 -18.034 10.052 1.00 10.00 H new ATOM 0 HB2 GLN A 37 55.602 -16.922 12.790 1.00 10.00 H new ATOM 0 HB3 GLN A 37 56.759 -17.783 11.794 1.00 10.00 H new ATOM 0 HG2 GLN A 37 56.415 -16.136 9.948 1.00 10.00 H new ATOM 0 HG3 GLN A 37 55.226 -15.286 10.915 1.00 10.00 H new ATOM 0 HE21 GLN A 37 56.150 -13.343 11.533 1.00 10.00 H new ATOM 0 HE22 GLN A 37 57.773 -13.183 12.211 1.00 10.00 H new ATOM 569 N ASP A 38 53.925 -19.719 12.700 1.00 10.00 N ATOM 570 CA ASP A 38 53.661 -21.097 13.134 1.00 10.00 C ATOM 571 C ASP A 38 52.818 -21.857 12.096 1.00 10.00 C ATOM 572 O ASP A 38 53.105 -23.021 11.805 1.00 10.00 O ATOM 573 CB ASP A 38 53.006 -21.110 14.522 1.00 10.00 C ATOM 574 CG ASP A 38 52.749 -22.544 15.014 1.00 10.00 C ATOM 575 OD1 ASP A 38 53.716 -23.219 15.439 1.00 10.00 O ATOM 576 OD2 ASP A 38 51.580 -22.995 14.986 1.00 10.00 O ATOM 0 H ASP A 38 53.467 -19.012 13.275 1.00 10.00 H new ATOM 0 HA ASP A 38 54.614 -21.619 13.213 1.00 10.00 H new ATOM 0 HB2 ASP A 38 53.649 -20.591 15.233 1.00 10.00 H new ATOM 0 HB3 ASP A 38 52.064 -20.563 14.485 1.00 10.00 H new ATOM 581 N ALA A 39 51.851 -21.193 11.450 1.00 10.00 N ATOM 582 CA ALA A 39 51.150 -21.767 10.299 1.00 10.00 C ATOM 583 C ALA A 39 52.130 -22.076 9.169 1.00 10.00 C ATOM 584 O ALA A 39 52.136 -23.184 8.639 1.00 10.00 O ATOM 585 CB ALA A 39 50.018 -20.859 9.781 1.00 10.00 C ATOM 0 H ALA A 39 51.537 -20.257 11.707 1.00 10.00 H new ATOM 0 HA ALA A 39 50.691 -22.694 10.644 1.00 10.00 H new ATOM 0 HB1 ALA A 39 49.533 -21.333 8.928 1.00 10.00 H new ATOM 0 HB2 ALA A 39 49.286 -20.702 10.573 1.00 10.00 H new ATOM 0 HB3 ALA A 39 50.433 -19.899 9.475 1.00 10.00 H new ATOM 591 N GLN A 40 53.002 -21.117 8.857 1.00 10.00 N ATOM 592 CA GLN A 40 54.030 -21.222 7.827 1.00 10.00 C ATOM 593 C GLN A 40 55.099 -22.267 8.167 1.00 10.00 C ATOM 594 O GLN A 40 55.733 -22.776 7.255 1.00 10.00 O ATOM 595 CB GLN A 40 54.665 -19.837 7.602 1.00 10.00 C ATOM 596 CG GLN A 40 55.358 -19.730 6.234 1.00 10.00 C ATOM 597 CD GLN A 40 55.988 -18.355 6.019 1.00 10.00 C ATOM 598 OE1 GLN A 40 55.314 -17.337 5.913 1.00 10.00 O ATOM 599 NE2 GLN A 40 57.300 -18.262 5.944 1.00 10.00 N ATOM 0 H GLN A 40 53.010 -20.215 9.333 1.00 10.00 H new ATOM 0 HA GLN A 40 53.554 -21.563 6.908 1.00 10.00 H new ATOM 0 HB2 GLN A 40 53.895 -19.070 7.678 1.00 10.00 H new ATOM 0 HB3 GLN A 40 55.391 -19.640 8.391 1.00 10.00 H new ATOM 0 HG2 GLN A 40 56.128 -20.498 6.156 1.00 10.00 H new ATOM 0 HG3 GLN A 40 54.633 -19.924 5.444 1.00 10.00 H new ATOM 0 HE21 GLN A 40 57.876 -19.099 6.030 1.00 10.00 H new ATOM 0 HE22 GLN A 40 57.739 -17.353 5.800 1.00 10.00 H new ATOM 608 N ALA A 41 55.316 -22.612 9.438 1.00 10.00 N ATOM 609 CA ALA A 41 56.152 -23.743 9.854 1.00 10.00 C ATOM 610 C ALA A 41 55.458 -25.101 9.767 1.00 10.00 C ATOM 611 O ALA A 41 56.089 -26.048 9.303 1.00 10.00 O ATOM 612 CB ALA A 41 56.751 -23.476 11.229 1.00 10.00 C ATOM 0 H ALA A 41 54.908 -22.104 10.223 1.00 10.00 H new ATOM 0 HA ALA A 41 56.964 -23.817 9.131 1.00 10.00 H new ATOM 0 HB1 ALA A 41 57.370 -24.323 11.527 1.00 10.00 H new ATOM 0 HB2 ALA A 41 57.363 -22.575 11.190 1.00 10.00 H new ATOM 0 HB3 ALA A 41 55.949 -23.339 11.955 1.00 10.00 H new ATOM 618 N ASN A 42 54.169 -25.215 10.106 1.00 10.00 N ATOM 619 CA ASN A 42 53.424 -26.443 9.806 1.00 10.00 C ATOM 620 C ASN A 42 53.377 -26.633 8.281 1.00 10.00 C ATOM 621 O ASN A 42 53.500 -27.751 7.779 1.00 10.00 O ATOM 622 CB ASN A 42 52.017 -26.430 10.435 1.00 10.00 C ATOM 623 CG ASN A 42 52.035 -26.612 11.946 1.00 10.00 C ATOM 624 OD1 ASN A 42 51.883 -27.712 12.459 1.00 10.00 O ATOM 625 ND2 ASN A 42 52.218 -25.562 12.711 1.00 10.00 N ATOM 0 H ASN A 42 53.629 -24.489 10.578 1.00 10.00 H new ATOM 0 HA ASN A 42 53.938 -27.294 10.253 1.00 10.00 H new ATOM 0 HB2 ASN A 42 51.527 -25.486 10.195 1.00 10.00 H new ATOM 0 HB3 ASN A 42 51.418 -27.223 9.987 1.00 10.00 H new ATOM 0 HD21 ASN A 42 52.233 -25.667 13.726 1.00 10.00 H new ATOM 0 HD22 ASN A 42 52.346 -24.641 12.291 1.00 10.00 H new ATOM 632 N LEU A 43 53.299 -25.519 7.543 1.00 10.00 N ATOM 633 CA LEU A 43 53.465 -25.475 6.109 1.00 10.00 C ATOM 634 C LEU A 43 54.904 -25.755 5.693 1.00 10.00 C ATOM 635 O LEU A 43 55.118 -26.444 4.720 1.00 10.00 O ATOM 636 CB LEU A 43 52.967 -24.114 5.580 1.00 10.00 C ATOM 637 CG LEU A 43 52.438 -24.229 4.161 1.00 10.00 C ATOM 638 CD1 LEU A 43 51.148 -25.023 4.220 1.00 10.00 C ATOM 639 CD2 LEU A 43 52.085 -22.894 3.530 1.00 10.00 C ATOM 0 H LEU A 43 53.113 -24.603 7.952 1.00 10.00 H new ATOM 0 HA LEU A 43 52.864 -26.267 5.662 1.00 10.00 H new ATOM 0 HB2 LEU A 43 52.181 -23.734 6.233 1.00 10.00 H new ATOM 0 HB3 LEU A 43 53.782 -23.391 5.608 1.00 10.00 H new ATOM 0 HG LEU A 43 53.225 -24.691 3.564 1.00 10.00 H new ATOM 0 HD11 LEU A 43 50.738 -25.126 3.215 1.00 10.00 H new ATOM 0 HD12 LEU A 43 51.348 -26.012 4.634 1.00 10.00 H new ATOM 0 HD13 LEU A 43 50.429 -24.503 4.854 1.00 10.00 H new ATOM 0 HD21 LEU A 43 51.715 -23.057 2.518 1.00 10.00 H new ATOM 0 HD22 LEU A 43 51.314 -22.403 4.124 1.00 10.00 H new ATOM 0 HD23 LEU A 43 52.973 -22.262 3.494 1.00 10.00 H new ATOM 651 N THR A 44 55.917 -25.326 6.432 1.00 10.00 N ATOM 652 CA THR A 44 57.314 -25.605 6.071 1.00 10.00 C ATOM 653 C THR A 44 57.593 -27.105 6.102 1.00 10.00 C ATOM 654 O THR A 44 58.304 -27.628 5.240 1.00 10.00 O ATOM 655 CB THR A 44 58.312 -24.888 6.984 1.00 10.00 C ATOM 656 OG1 THR A 44 58.312 -23.502 6.726 1.00 10.00 O ATOM 657 CG2 THR A 44 59.725 -25.398 6.759 1.00 10.00 C ATOM 0 H THR A 44 55.805 -24.782 7.288 1.00 10.00 H new ATOM 0 HA THR A 44 57.450 -25.224 5.059 1.00 10.00 H new ATOM 0 HB THR A 44 58.004 -25.086 8.011 1.00 10.00 H new ATOM 0 HG1 THR A 44 57.462 -23.114 7.022 1.00 10.00 H new ATOM 0 HG21 THR A 44 60.412 -24.871 7.421 1.00 10.00 H new ATOM 0 HG22 THR A 44 59.764 -26.466 6.972 1.00 10.00 H new ATOM 0 HG23 THR A 44 60.014 -25.223 5.723 1.00 10.00 H new ATOM 665 N LYS A 45 57.016 -27.809 7.083 1.00 10.00 N ATOM 666 CA LYS A 45 57.115 -29.271 7.164 1.00 10.00 C ATOM 667 C LYS A 45 56.535 -29.979 5.935 1.00 10.00 C ATOM 668 O LYS A 45 57.061 -31.017 5.529 1.00 10.00 O ATOM 669 CB LYS A 45 56.454 -29.781 8.449 1.00 10.00 C ATOM 670 CG LYS A 45 57.002 -29.290 9.801 1.00 10.00 C ATOM 671 CD LYS A 45 58.531 -29.223 9.928 1.00 10.00 C ATOM 672 CE LYS A 45 59.243 -30.570 9.721 1.00 10.00 C ATOM 673 NZ LYS A 45 58.993 -31.522 10.839 1.00 10.00 N ATOM 0 H LYS A 45 56.473 -27.387 7.836 1.00 10.00 H new ATOM 0 HA LYS A 45 58.177 -29.515 7.187 1.00 10.00 H new ATOM 0 HB2 LYS A 45 55.397 -29.519 8.405 1.00 10.00 H new ATOM 0 HB3 LYS A 45 56.513 -30.869 8.443 1.00 10.00 H new ATOM 0 HG2 LYS A 45 56.598 -28.296 9.994 1.00 10.00 H new ATOM 0 HG3 LYS A 45 56.621 -29.946 10.584 1.00 10.00 H new ATOM 0 HD2 LYS A 45 58.913 -28.508 9.200 1.00 10.00 H new ATOM 0 HD3 LYS A 45 58.785 -28.839 10.916 1.00 10.00 H new ATOM 0 HE2 LYS A 45 58.906 -31.016 8.785 1.00 10.00 H new ATOM 0 HE3 LYS A 45 60.315 -30.400 9.625 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 59.494 -32.415 10.653 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 59.338 -31.110 11.729 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 57.972 -31.707 10.916 1.00 10.00 H new ATOM 687 N ASN A 46 55.496 -29.410 5.322 1.00 10.00 N ATOM 688 CA ASN A 46 54.898 -29.867 4.082 1.00 10.00 C ATOM 689 C ASN A 46 54.246 -28.707 3.292 1.00 10.00 C ATOM 690 O ASN A 46 53.058 -28.446 3.492 1.00 10.00 O ATOM 691 CB ASN A 46 53.958 -31.015 4.437 1.00 10.00 C ATOM 692 CG ASN A 46 53.613 -31.867 3.220 1.00 10.00 C ATOM 693 OD1 ASN A 46 54.000 -33.022 3.120 1.00 10.00 O ATOM 694 ND2 ASN A 46 52.941 -31.335 2.225 1.00 10.00 N ATOM 0 H ASN A 46 55.034 -28.583 5.699 1.00 10.00 H new ATOM 0 HA ASN A 46 55.650 -30.242 3.388 1.00 10.00 H new ATOM 0 HB2 ASN A 46 54.422 -31.642 5.199 1.00 10.00 H new ATOM 0 HB3 ASN A 46 53.042 -30.613 4.870 1.00 10.00 H new ATOM 0 HD21 ASN A 46 52.750 -31.884 1.387 1.00 10.00 H new ATOM 0 HD22 ASN A 46 52.610 -30.372 2.290 1.00 10.00 H new ATOM 701 N PRO A 47 55.004 -27.995 2.427 1.00 10.00 N ATOM 702 CA PRO A 47 54.591 -26.740 1.780 1.00 10.00 C ATOM 703 C PRO A 47 53.207 -26.651 1.135 1.00 10.00 C ATOM 704 O PRO A 47 52.666 -25.549 1.050 1.00 10.00 O ATOM 705 CB PRO A 47 55.697 -26.418 0.797 1.00 10.00 C ATOM 706 CG PRO A 47 56.951 -26.918 1.510 1.00 10.00 C ATOM 707 CD PRO A 47 56.457 -28.122 2.311 1.00 10.00 C ATOM 0 HA PRO A 47 54.457 -26.006 2.575 1.00 10.00 H new ATOM 0 HB2 PRO A 47 55.548 -26.923 -0.157 1.00 10.00 H new ATOM 0 HB3 PRO A 47 55.751 -25.350 0.587 1.00 10.00 H new ATOM 0 HG2 PRO A 47 57.729 -27.201 0.801 1.00 10.00 H new ATOM 0 HG3 PRO A 47 57.375 -26.152 2.159 1.00 10.00 H new ATOM 0 HD2 PRO A 47 56.724 -29.053 1.811 1.00 10.00 H new ATOM 0 HD3 PRO A 47 56.921 -28.146 3.297 1.00 10.00 H new ATOM 715 N SER A 48 52.602 -27.769 0.725 1.00 10.00 N ATOM 716 CA SER A 48 51.223 -27.821 0.275 1.00 10.00 C ATOM 717 C SER A 48 50.365 -28.909 0.920 1.00 10.00 C ATOM 718 O SER A 48 49.443 -29.447 0.305 1.00 10.00 O ATOM 719 CB SER A 48 51.233 -27.805 -1.242 1.00 10.00 C ATOM 720 OG SER A 48 51.711 -29.025 -1.796 1.00 10.00 O ATOM 0 H SER A 48 53.071 -28.674 0.699 1.00 10.00 H new ATOM 0 HA SER A 48 50.697 -26.935 0.631 1.00 10.00 H new ATOM 0 HB2 SER A 48 50.224 -27.615 -1.607 1.00 10.00 H new ATOM 0 HB3 SER A 48 51.858 -26.982 -1.589 1.00 10.00 H new ATOM 0 HG SER A 48 51.697 -28.968 -2.774 1.00 10.00 H new ATOM 726 N ASP A 49 50.681 -29.242 2.175 1.00 10.00 N ATOM 727 CA ASP A 49 49.807 -30.072 3.015 1.00 10.00 C ATOM 728 C ASP A 49 48.505 -29.272 3.172 1.00 10.00 C ATOM 729 O ASP A 49 48.550 -28.108 3.567 1.00 10.00 O ATOM 730 CB ASP A 49 50.476 -30.427 4.351 1.00 10.00 C ATOM 731 CG ASP A 49 49.518 -31.018 5.406 1.00 10.00 C ATOM 732 OD1 ASP A 49 48.536 -30.350 5.802 1.00 10.00 O ATOM 733 OD2 ASP A 49 49.743 -32.176 5.833 1.00 10.00 O ATOM 0 H ASP A 49 51.542 -28.948 2.636 1.00 10.00 H new ATOM 0 HA ASP A 49 49.600 -31.041 2.561 1.00 10.00 H new ATOM 0 HB2 ASP A 49 51.277 -31.142 4.164 1.00 10.00 H new ATOM 0 HB3 ASP A 49 50.940 -29.530 4.761 1.00 10.00 H new ATOM 738 N PRO A 50 47.343 -29.840 2.836 1.00 10.00 N ATOM 739 CA PRO A 50 46.121 -29.066 2.733 1.00 10.00 C ATOM 740 C PRO A 50 45.553 -28.555 4.050 1.00 10.00 C ATOM 741 O PRO A 50 44.889 -27.528 4.032 1.00 10.00 O ATOM 742 CB PRO A 50 45.140 -29.976 2.023 1.00 10.00 C ATOM 743 CG PRO A 50 45.622 -31.392 2.345 1.00 10.00 C ATOM 744 CD PRO A 50 47.133 -31.228 2.481 1.00 10.00 C ATOM 0 HA PRO A 50 46.327 -28.142 2.193 1.00 10.00 H new ATOM 0 HB2 PRO A 50 44.122 -29.814 2.377 1.00 10.00 H new ATOM 0 HB3 PRO A 50 45.137 -29.793 0.948 1.00 10.00 H new ATOM 0 HG2 PRO A 50 45.174 -31.770 3.264 1.00 10.00 H new ATOM 0 HG3 PRO A 50 45.364 -32.094 1.553 1.00 10.00 H new ATOM 0 HD2 PRO A 50 47.532 -31.893 3.247 1.00 10.00 H new ATOM 0 HD3 PRO A 50 47.640 -31.475 1.548 1.00 10.00 H new ATOM 752 N THR A 51 45.816 -29.200 5.185 1.00 10.00 N ATOM 753 CA THR A 51 45.460 -28.660 6.509 1.00 10.00 C ATOM 754 C THR A 51 46.451 -27.597 6.943 1.00 10.00 C ATOM 755 O THR A 51 46.027 -26.568 7.447 1.00 10.00 O ATOM 756 CB THR A 51 45.435 -29.783 7.539 1.00 10.00 C ATOM 757 OG1 THR A 51 44.273 -30.572 7.369 1.00 10.00 O ATOM 758 CG2 THR A 51 45.473 -29.298 8.985 1.00 10.00 C ATOM 0 H THR A 51 46.280 -30.108 5.220 1.00 10.00 H new ATOM 0 HA THR A 51 44.471 -28.207 6.438 1.00 10.00 H new ATOM 0 HB THR A 51 46.342 -30.361 7.362 1.00 10.00 H new ATOM 0 HG1 THR A 51 44.266 -31.292 8.034 1.00 10.00 H new ATOM 0 HG21 THR A 51 45.452 -30.156 9.657 1.00 10.00 H new ATOM 0 HG22 THR A 51 46.386 -28.727 9.153 1.00 10.00 H new ATOM 0 HG23 THR A 51 44.608 -28.664 9.179 1.00 10.00 H new ATOM 766 N ALA A 52 47.748 -27.784 6.720 1.00 10.00 N ATOM 767 CA ALA A 52 48.751 -26.742 6.908 1.00 10.00 C ATOM 768 C ALA A 52 48.431 -25.495 6.091 1.00 10.00 C ATOM 769 O ALA A 52 48.540 -24.376 6.593 1.00 10.00 O ATOM 770 CB ALA A 52 50.106 -27.356 6.528 1.00 10.00 C ATOM 0 H ALA A 52 48.136 -28.672 6.401 1.00 10.00 H new ATOM 0 HA ALA A 52 48.768 -26.405 7.944 1.00 10.00 H new ATOM 0 HB1 ALA A 52 50.891 -26.610 6.653 1.00 10.00 H new ATOM 0 HB2 ALA A 52 50.311 -28.211 7.172 1.00 10.00 H new ATOM 0 HB3 ALA A 52 50.079 -27.683 5.489 1.00 10.00 H new ATOM 776 N LEU A 53 47.995 -25.686 4.854 1.00 10.00 N ATOM 777 CA LEU A 53 47.698 -24.611 3.924 1.00 10.00 C ATOM 778 C LEU A 53 46.323 -24.003 4.212 1.00 10.00 C ATOM 779 O LEU A 53 46.175 -22.789 4.150 1.00 10.00 O ATOM 780 CB LEU A 53 47.881 -25.196 2.518 1.00 10.00 C ATOM 781 CG LEU A 53 48.104 -24.230 1.343 1.00 10.00 C ATOM 782 CD1 LEU A 53 48.654 -22.868 1.735 1.00 10.00 C ATOM 783 CD2 LEU A 53 49.145 -24.874 0.431 1.00 10.00 C ATOM 0 H LEU A 53 47.835 -26.614 4.462 1.00 10.00 H new ATOM 0 HA LEU A 53 48.372 -23.761 4.027 1.00 10.00 H new ATOM 0 HB2 LEU A 53 48.730 -25.879 2.551 1.00 10.00 H new ATOM 0 HB3 LEU A 53 46.999 -25.795 2.291 1.00 10.00 H new ATOM 0 HG LEU A 53 47.130 -24.063 0.883 1.00 10.00 H new ATOM 0 HD11 LEU A 53 48.779 -22.255 0.842 1.00 10.00 H new ATOM 0 HD12 LEU A 53 47.960 -22.378 2.418 1.00 10.00 H new ATOM 0 HD13 LEU A 53 49.619 -22.993 2.227 1.00 10.00 H new ATOM 0 HD21 LEU A 53 49.336 -24.221 -0.421 1.00 10.00 H new ATOM 0 HD22 LEU A 53 50.071 -25.027 0.986 1.00 10.00 H new ATOM 0 HD23 LEU A 53 48.773 -25.835 0.075 1.00 10.00 H new ATOM 795 N ALA A 54 45.348 -24.811 4.636 1.00 10.00 N ATOM 796 CA ALA A 54 44.071 -24.337 5.164 1.00 10.00 C ATOM 797 C ALA A 54 44.277 -23.501 6.434 1.00 10.00 C ATOM 798 O ALA A 54 43.669 -22.445 6.597 1.00 10.00 O ATOM 799 CB ALA A 54 43.178 -25.551 5.474 1.00 10.00 C ATOM 0 H ALA A 54 45.427 -25.828 4.621 1.00 10.00 H new ATOM 0 HA ALA A 54 43.593 -23.702 4.418 1.00 10.00 H new ATOM 0 HB1 ALA A 54 42.222 -25.208 5.869 1.00 10.00 H new ATOM 0 HB2 ALA A 54 43.010 -26.122 4.561 1.00 10.00 H new ATOM 0 HB3 ALA A 54 43.669 -26.185 6.212 1.00 10.00 H new ATOM 805 N ASN A 55 45.174 -23.953 7.312 1.00 10.00 N ATOM 806 CA ASN A 55 45.538 -23.302 8.562 1.00 10.00 C ATOM 807 C ASN A 55 46.216 -21.959 8.297 1.00 10.00 C ATOM 808 O ASN A 55 45.762 -20.922 8.772 1.00 10.00 O ATOM 809 CB ASN A 55 46.465 -24.256 9.329 1.00 10.00 C ATOM 810 CG ASN A 55 47.069 -23.692 10.589 1.00 10.00 C ATOM 811 OD1 ASN A 55 46.386 -23.321 11.530 1.00 10.00 O ATOM 812 ND2 ASN A 55 48.379 -23.654 10.632 1.00 10.00 N ATOM 0 H ASN A 55 45.687 -24.822 7.160 1.00 10.00 H new ATOM 0 HA ASN A 55 44.649 -23.091 9.156 1.00 10.00 H new ATOM 0 HB2 ASN A 55 45.903 -25.154 9.585 1.00 10.00 H new ATOM 0 HB3 ASN A 55 47.273 -24.564 8.665 1.00 10.00 H new ATOM 0 HD21 ASN A 55 48.852 -23.308 11.467 1.00 10.00 H new ATOM 0 HD22 ASN A 55 48.925 -23.971 9.831 1.00 10.00 H new ATOM 819 N TYR A 56 47.264 -21.978 7.474 1.00 10.00 N ATOM 820 CA TYR A 56 47.918 -20.769 6.964 1.00 10.00 C ATOM 821 C TYR A 56 46.945 -19.817 6.281 1.00 10.00 C ATOM 822 O TYR A 56 46.935 -18.649 6.639 1.00 10.00 O ATOM 823 CB TYR A 56 49.108 -21.195 6.089 1.00 10.00 C ATOM 824 CG TYR A 56 49.831 -20.165 5.245 1.00 10.00 C ATOM 825 CD1 TYR A 56 49.454 -19.988 3.899 1.00 10.00 C ATOM 826 CD2 TYR A 56 51.001 -19.551 5.734 1.00 10.00 C ATOM 827 CE1 TYR A 56 50.264 -19.230 3.032 1.00 10.00 C ATOM 828 CE2 TYR A 56 51.814 -18.793 4.870 1.00 10.00 C ATOM 829 CZ TYR A 56 51.459 -18.650 3.509 1.00 10.00 C ATOM 830 OH TYR A 56 52.257 -17.951 2.656 1.00 10.00 O ATOM 0 H TYR A 56 47.689 -22.842 7.138 1.00 10.00 H new ATOM 0 HA TYR A 56 48.304 -20.178 7.795 1.00 10.00 H new ATOM 0 HB2 TYR A 56 49.847 -21.653 6.746 1.00 10.00 H new ATOM 0 HB3 TYR A 56 48.753 -21.975 5.416 1.00 10.00 H new ATOM 0 HD1 TYR A 56 48.542 -20.435 3.532 1.00 10.00 H new ATOM 0 HD2 TYR A 56 51.275 -19.662 6.773 1.00 10.00 H new ATOM 0 HE1 TYR A 56 49.971 -19.092 2.002 1.00 10.00 H new ATOM 0 HE2 TYR A 56 52.709 -18.321 5.247 1.00 10.00 H new ATOM 0 HH TYR A 56 53.040 -17.616 3.141 1.00 10.00 H new ATOM 840 N GLN A 57 46.047 -20.279 5.414 1.00 10.00 N ATOM 841 CA GLN A 57 45.050 -19.404 4.781 1.00 10.00 C ATOM 842 C GLN A 57 44.038 -18.824 5.786 1.00 10.00 C ATOM 843 O GLN A 57 43.665 -17.657 5.672 1.00 10.00 O ATOM 844 CB GLN A 57 44.325 -20.135 3.637 1.00 10.00 C ATOM 845 CG GLN A 57 45.191 -20.250 2.370 1.00 10.00 C ATOM 846 CD GLN A 57 45.404 -18.902 1.679 1.00 10.00 C ATOM 847 OE1 GLN A 57 44.504 -18.327 1.082 1.00 10.00 O ATOM 848 NE2 GLN A 57 46.594 -18.337 1.731 1.00 10.00 N ATOM 0 H GLN A 57 45.985 -21.257 5.130 1.00 10.00 H new ATOM 0 HA GLN A 57 45.599 -18.558 4.366 1.00 10.00 H new ATOM 0 HB2 GLN A 57 44.040 -21.133 3.970 1.00 10.00 H new ATOM 0 HB3 GLN A 57 43.404 -19.604 3.397 1.00 10.00 H new ATOM 0 HG2 GLN A 57 46.159 -20.676 2.633 1.00 10.00 H new ATOM 0 HG3 GLN A 57 44.718 -20.941 1.672 1.00 10.00 H new ATOM 0 HE21 GLN A 57 47.357 -18.800 2.224 1.00 10.00 H new ATOM 0 HE22 GLN A 57 46.751 -17.437 1.278 1.00 10.00 H new ATOM 857 N MET A 58 43.622 -19.594 6.796 1.00 10.00 N ATOM 858 CA MET A 58 42.703 -19.157 7.854 1.00 10.00 C ATOM 859 C MET A 58 43.334 -18.126 8.797 1.00 10.00 C ATOM 860 O MET A 58 42.744 -17.076 9.059 1.00 10.00 O ATOM 861 CB MET A 58 42.196 -20.407 8.592 1.00 10.00 C ATOM 862 CG MET A 58 41.277 -20.140 9.790 1.00 10.00 C ATOM 863 SD MET A 58 42.086 -19.722 11.365 1.00 10.00 S ATOM 864 CE MET A 58 42.841 -21.319 11.789 1.00 10.00 C ATOM 0 H MET A 58 43.922 -20.563 6.904 1.00 10.00 H new ATOM 0 HA MET A 58 41.858 -18.634 7.407 1.00 10.00 H new ATOM 0 HB2 MET A 58 41.662 -21.036 7.880 1.00 10.00 H new ATOM 0 HB3 MET A 58 43.058 -20.978 8.938 1.00 10.00 H new ATOM 0 HG2 MET A 58 40.603 -19.324 9.527 1.00 10.00 H new ATOM 0 HG3 MET A 58 40.660 -21.024 9.949 1.00 10.00 H new ATOM 0 HE1 MET A 58 43.239 -21.276 12.803 1.00 10.00 H new ATOM 0 HE2 MET A 58 42.088 -22.105 11.728 1.00 10.00 H new ATOM 0 HE3 MET A 58 43.650 -21.536 11.091 1.00 10.00 H new ATOM 874 N ILE A 59 44.563 -18.371 9.252 1.00 10.00 N ATOM 875 CA ILE A 59 45.315 -17.443 10.087 1.00 10.00 C ATOM 876 C ILE A 59 45.707 -16.210 9.269 1.00 10.00 C ATOM 877 O ILE A 59 45.665 -15.098 9.785 1.00 10.00 O ATOM 878 CB ILE A 59 46.524 -18.187 10.683 1.00 10.00 C ATOM 879 CG1 ILE A 59 46.083 -19.329 11.629 1.00 10.00 C ATOM 880 CG2 ILE A 59 47.414 -17.241 11.487 1.00 10.00 C ATOM 881 CD1 ILE A 59 47.245 -20.236 12.036 1.00 10.00 C ATOM 0 H ILE A 59 45.068 -19.233 9.046 1.00 10.00 H new ATOM 0 HA ILE A 59 44.709 -17.080 10.917 1.00 10.00 H new ATOM 0 HB ILE A 59 47.074 -18.598 9.836 1.00 10.00 H new ATOM 0 HG12 ILE A 59 45.630 -18.901 12.523 1.00 10.00 H new ATOM 0 HG13 ILE A 59 45.315 -19.927 11.138 1.00 10.00 H new ATOM 0 HG21 ILE A 59 48.259 -17.795 11.895 1.00 10.00 H new ATOM 0 HG22 ILE A 59 47.781 -16.447 10.837 1.00 10.00 H new ATOM 0 HG23 ILE A 59 46.838 -16.805 12.303 1.00 10.00 H new ATOM 0 HD11 ILE A 59 46.880 -21.020 12.700 1.00 10.00 H new ATOM 0 HD12 ILE A 59 47.682 -20.689 11.146 1.00 10.00 H new ATOM 0 HD13 ILE A 59 48.003 -19.647 12.553 1.00 10.00 H new ATOM 893 N MET A 60 46.028 -16.372 7.983 1.00 10.00 N ATOM 894 CA MET A 60 46.331 -15.260 7.082 1.00 10.00 C ATOM 895 C MET A 60 45.107 -14.393 6.783 1.00 10.00 C ATOM 896 O MET A 60 45.239 -13.177 6.671 1.00 10.00 O ATOM 897 CB MET A 60 46.960 -15.760 5.783 1.00 10.00 C ATOM 898 CG MET A 60 47.731 -14.631 5.108 1.00 10.00 C ATOM 899 SD MET A 60 48.804 -15.170 3.755 1.00 10.00 S ATOM 900 CE MET A 60 50.074 -15.958 4.779 1.00 10.00 C ATOM 0 H MET A 60 46.085 -17.287 7.535 1.00 10.00 H new ATOM 0 HA MET A 60 47.052 -14.630 7.603 1.00 10.00 H new ATOM 0 HB2 MET A 60 47.629 -16.595 5.991 1.00 10.00 H new ATOM 0 HB3 MET A 60 46.185 -16.133 5.114 1.00 10.00 H new ATOM 0 HG2 MET A 60 47.020 -13.900 4.723 1.00 10.00 H new ATOM 0 HG3 MET A 60 48.338 -14.122 5.857 1.00 10.00 H new ATOM 0 HE1 MET A 60 50.986 -16.082 4.196 1.00 10.00 H new ATOM 0 HE2 MET A 60 50.281 -15.333 5.648 1.00 10.00 H new ATOM 0 HE3 MET A 60 49.720 -16.934 5.111 1.00 10.00 H new ATOM 910 N SER A 61 43.917 -14.991 6.715 1.00 10.00 N ATOM 911 CA SER A 61 42.648 -14.259 6.638 1.00 10.00 C ATOM 912 C SER A 61 42.458 -13.372 7.873 1.00 10.00 C ATOM 913 O SER A 61 42.195 -12.181 7.731 1.00 10.00 O ATOM 914 CB SER A 61 41.461 -15.219 6.472 1.00 10.00 C ATOM 915 OG SER A 61 41.522 -15.873 5.215 1.00 10.00 O ATOM 0 H SER A 61 43.804 -16.005 6.712 1.00 10.00 H new ATOM 0 HA SER A 61 42.686 -13.619 5.757 1.00 10.00 H new ATOM 0 HB2 SER A 61 41.469 -15.958 7.273 1.00 10.00 H new ATOM 0 HB3 SER A 61 40.525 -14.667 6.556 1.00 10.00 H new ATOM 0 HG SER A 61 42.242 -16.538 5.227 1.00 10.00 H new ATOM 921 N GLU A 62 42.682 -13.906 9.079 1.00 10.00 N ATOM 922 CA GLU A 62 42.647 -13.129 10.328 1.00 10.00 C ATOM 923 C GLU A 62 43.737 -12.045 10.384 1.00 10.00 C ATOM 924 O GLU A 62 43.455 -10.887 10.702 1.00 10.00 O ATOM 925 CB GLU A 62 42.759 -14.100 11.520 1.00 10.00 C ATOM 926 CG GLU A 62 42.501 -13.456 12.890 1.00 10.00 C ATOM 927 CD GLU A 62 41.013 -13.105 13.092 1.00 10.00 C ATOM 928 OE1 GLU A 62 40.224 -13.996 13.488 1.00 10.00 O ATOM 929 OE2 GLU A 62 40.623 -11.935 12.865 1.00 10.00 O ATOM 0 H GLU A 62 42.894 -14.894 9.219 1.00 10.00 H new ATOM 0 HA GLU A 62 41.698 -12.595 10.374 1.00 10.00 H new ATOM 0 HB2 GLU A 62 42.050 -14.915 11.376 1.00 10.00 H new ATOM 0 HB3 GLU A 62 43.756 -14.541 11.521 1.00 10.00 H new ATOM 0 HG2 GLU A 62 42.823 -14.138 13.677 1.00 10.00 H new ATOM 0 HG3 GLU A 62 43.103 -12.552 12.985 1.00 10.00 H new ATOM 936 N TYR A 63 44.968 -12.396 10.008 1.00 10.00 N ATOM 937 CA TYR A 63 46.118 -11.488 9.936 1.00 10.00 C ATOM 938 C TYR A 63 45.857 -10.300 9.008 1.00 10.00 C ATOM 939 O TYR A 63 46.072 -9.142 9.377 1.00 10.00 O ATOM 940 CB TYR A 63 47.348 -12.284 9.474 1.00 10.00 C ATOM 941 CG TYR A 63 48.580 -11.468 9.146 1.00 10.00 C ATOM 942 CD1 TYR A 63 49.411 -10.977 10.171 1.00 10.00 C ATOM 943 CD2 TYR A 63 48.930 -11.267 7.795 1.00 10.00 C ATOM 944 CE1 TYR A 63 50.603 -10.298 9.846 1.00 10.00 C ATOM 945 CE2 TYR A 63 50.121 -10.599 7.467 1.00 10.00 C ATOM 946 CZ TYR A 63 50.965 -10.115 8.491 1.00 10.00 C ATOM 947 OH TYR A 63 52.114 -9.461 8.165 1.00 10.00 O ATOM 0 H TYR A 63 45.201 -13.351 9.736 1.00 10.00 H new ATOM 0 HA TYR A 63 46.296 -11.071 10.927 1.00 10.00 H new ATOM 0 HB2 TYR A 63 47.607 -13.000 10.254 1.00 10.00 H new ATOM 0 HB3 TYR A 63 47.073 -12.861 8.591 1.00 10.00 H new ATOM 0 HD1 TYR A 63 49.136 -11.120 11.205 1.00 10.00 H new ATOM 0 HD2 TYR A 63 48.281 -11.628 7.011 1.00 10.00 H new ATOM 0 HE1 TYR A 63 51.239 -9.918 10.631 1.00 10.00 H new ATOM 0 HE2 TYR A 63 50.392 -10.455 6.431 1.00 10.00 H new ATOM 0 HH TYR A 63 52.206 -9.427 7.190 1.00 10.00 H new ATOM 957 N ASN A 64 45.358 -10.586 7.807 1.00 10.00 N ATOM 958 CA ASN A 64 45.128 -9.578 6.783 1.00 10.00 C ATOM 959 C ASN A 64 43.928 -8.680 7.142 1.00 10.00 C ATOM 960 O ASN A 64 43.981 -7.466 6.948 1.00 10.00 O ATOM 961 CB ASN A 64 44.931 -10.274 5.428 1.00 10.00 C ATOM 962 CG ASN A 64 44.841 -9.276 4.284 1.00 10.00 C ATOM 963 OD1 ASN A 64 45.724 -8.455 4.076 1.00 10.00 O ATOM 964 ND2 ASN A 64 43.781 -9.308 3.507 1.00 10.00 N ATOM 0 H ASN A 64 45.102 -11.530 7.519 1.00 10.00 H new ATOM 0 HA ASN A 64 45.998 -8.924 6.720 1.00 10.00 H new ATOM 0 HB2 ASN A 64 45.760 -10.958 5.248 1.00 10.00 H new ATOM 0 HB3 ASN A 64 44.022 -10.875 5.458 1.00 10.00 H new ATOM 0 HD21 ASN A 64 43.696 -8.649 2.733 1.00 10.00 H new ATOM 0 HD22 ASN A 64 43.044 -9.992 3.678 1.00 10.00 H new ATOM 1108 N VAL A 74 43.051 4.201 11.249 1.00 10.00 N ATOM 1109 CA VAL A 74 43.935 5.329 10.916 1.00 10.00 C ATOM 1110 C VAL A 74 43.205 6.455 10.163 1.00 10.00 C ATOM 1111 O VAL A 74 43.502 7.631 10.382 1.00 10.00 O ATOM 1112 CB VAL A 74 45.141 4.765 10.134 1.00 10.00 C ATOM 1113 CG1 VAL A 74 45.867 5.777 9.252 1.00 10.00 C ATOM 1114 CG2 VAL A 74 46.158 4.166 11.112 1.00 10.00 C ATOM 0 HA VAL A 74 44.285 5.805 11.832 1.00 10.00 H new ATOM 0 HB VAL A 74 44.719 4.014 9.466 1.00 10.00 H new ATOM 0 HG11 VAL A 74 46.698 5.287 8.744 1.00 10.00 H new ATOM 0 HG12 VAL A 74 45.174 6.177 8.512 1.00 10.00 H new ATOM 0 HG13 VAL A 74 46.248 6.590 9.869 1.00 10.00 H new ATOM 0 HG21 VAL A 74 47.007 3.769 10.556 1.00 10.00 H new ATOM 0 HG22 VAL A 74 46.503 4.940 11.798 1.00 10.00 H new ATOM 0 HG23 VAL A 74 45.688 3.362 11.679 1.00 10.00 H new ATOM 1124 N LYS A 75 42.201 6.120 9.339 1.00 10.00 N ATOM 1125 CA LYS A 75 41.348 7.075 8.599 1.00 10.00 C ATOM 1126 C LYS A 75 40.033 7.421 9.322 1.00 10.00 C ATOM 1127 O LYS A 75 39.220 8.179 8.789 1.00 10.00 O ATOM 1128 CB LYS A 75 41.095 6.537 7.179 1.00 10.00 C ATOM 1129 CG LYS A 75 42.392 6.504 6.351 1.00 10.00 C ATOM 1130 CD LYS A 75 42.143 6.153 4.876 1.00 10.00 C ATOM 1131 CE LYS A 75 41.578 4.743 4.647 1.00 10.00 C ATOM 1132 NZ LYS A 75 42.559 3.680 4.994 1.00 10.00 N ATOM 0 H LYS A 75 41.949 5.148 9.161 1.00 10.00 H new ATOM 0 HA LYS A 75 41.889 8.019 8.541 1.00 10.00 H new ATOM 0 HB2 LYS A 75 40.674 5.533 7.238 1.00 10.00 H new ATOM 0 HB3 LYS A 75 40.357 7.163 6.677 1.00 10.00 H new ATOM 0 HG2 LYS A 75 42.882 7.476 6.412 1.00 10.00 H new ATOM 0 HG3 LYS A 75 43.076 5.774 6.784 1.00 10.00 H new ATOM 0 HD2 LYS A 75 41.451 6.882 4.453 1.00 10.00 H new ATOM 0 HD3 LYS A 75 43.081 6.249 4.329 1.00 10.00 H new ATOM 0 HE2 LYS A 75 40.677 4.613 5.247 1.00 10.00 H new ATOM 0 HE3 LYS A 75 41.284 4.637 3.603 1.00 10.00 H new ATOM 0 HZ1 LYS A 75 42.134 2.746 4.824 1.00 10.00 H new ATOM 0 HZ2 LYS A 75 43.409 3.786 4.404 1.00 10.00 H new ATOM 0 HZ3 LYS A 75 42.821 3.763 5.997 1.00 10.00 H new ATOM 1146 N SER A 76 39.849 6.919 10.546 1.00 10.00 N ATOM 1147 CA SER A 76 38.648 7.101 11.386 1.00 10.00 C ATOM 1148 C SER A 76 38.971 7.677 12.775 1.00 10.00 C ATOM 1149 O SER A 76 38.082 7.797 13.618 1.00 10.00 O ATOM 1150 CB SER A 76 37.916 5.760 11.555 1.00 10.00 C ATOM 1151 OG SER A 76 37.661 5.130 10.310 1.00 10.00 O ATOM 0 H SER A 76 40.560 6.349 11.004 1.00 10.00 H new ATOM 0 HA SER A 76 38.013 7.822 10.870 1.00 10.00 H new ATOM 0 HB2 SER A 76 38.514 5.097 12.180 1.00 10.00 H new ATOM 0 HB3 SER A 76 36.973 5.925 12.077 1.00 10.00 H new ATOM 0 HG SER A 76 37.196 4.281 10.462 1.00 10.00 H new ATOM 1157 N MET A 77 40.234 8.033 13.039 1.00 10.00 N ATOM 1158 CA MET A 77 40.736 8.390 14.372 1.00 10.00 C ATOM 1159 C MET A 77 39.970 9.542 15.044 1.00 10.00 C ATOM 1160 O MET A 77 39.728 9.477 16.249 1.00 10.00 O ATOM 1161 CB MET A 77 42.241 8.690 14.278 1.00 10.00 C ATOM 1162 CG MET A 77 42.896 8.780 15.661 1.00 10.00 C ATOM 1163 SD MET A 77 44.693 9.014 15.615 1.00 10.00 S ATOM 1164 CE MET A 77 45.038 8.998 17.395 1.00 10.00 C ATOM 0 H MET A 77 40.952 8.082 12.316 1.00 10.00 H new ATOM 0 HA MET A 77 40.566 7.532 15.023 1.00 10.00 H new ATOM 0 HB2 MET A 77 42.730 7.910 13.695 1.00 10.00 H new ATOM 0 HB3 MET A 77 42.391 9.628 13.744 1.00 10.00 H new ATOM 0 HG2 MET A 77 42.447 9.607 16.211 1.00 10.00 H new ATOM 0 HG3 MET A 77 42.673 7.869 16.217 1.00 10.00 H new ATOM 0 HE1 MET A 77 46.107 9.131 17.560 1.00 10.00 H new ATOM 0 HE2 MET A 77 44.493 9.809 17.879 1.00 10.00 H new ATOM 0 HE3 MET A 77 44.721 8.045 17.818 1.00 10.00 H new ATOM 1174 N LYS A 78 39.538 10.568 14.292 1.00 10.00 N ATOM 1175 CA LYS A 78 38.750 11.684 14.852 1.00 10.00 C ATOM 1176 C LYS A 78 37.372 11.210 15.337 1.00 10.00 C ATOM 1177 O LYS A 78 36.958 11.549 16.442 1.00 10.00 O ATOM 1178 CB LYS A 78 38.623 12.834 13.828 1.00 10.00 C ATOM 1179 CG LYS A 78 38.628 14.266 14.408 1.00 10.00 C ATOM 1180 CD LYS A 78 37.633 14.582 15.544 1.00 10.00 C ATOM 1181 CE LYS A 78 38.251 14.307 16.925 1.00 10.00 C ATOM 1182 NZ LYS A 78 37.284 14.481 18.032 1.00 10.00 N ATOM 0 H LYS A 78 39.721 10.650 13.292 1.00 10.00 H new ATOM 0 HA LYS A 78 39.284 12.067 15.722 1.00 10.00 H new ATOM 0 HB2 LYS A 78 39.443 12.750 13.115 1.00 10.00 H new ATOM 0 HB3 LYS A 78 37.698 12.694 13.268 1.00 10.00 H new ATOM 0 HG2 LYS A 78 39.633 14.476 14.774 1.00 10.00 H new ATOM 0 HG3 LYS A 78 38.435 14.960 13.590 1.00 10.00 H new ATOM 0 HD2 LYS A 78 37.328 15.627 15.482 1.00 10.00 H new ATOM 0 HD3 LYS A 78 36.733 13.979 15.420 1.00 10.00 H new ATOM 0 HE2 LYS A 78 38.642 13.290 16.947 1.00 10.00 H new ATOM 0 HE3 LYS A 78 39.097 14.977 17.079 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 37.679 14.077 18.905 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 37.097 15.494 18.173 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 36.396 13.994 17.797 1.00 10.00 H new ATOM 1196 N ASP A 79 36.688 10.380 14.549 1.00 10.00 N ATOM 1197 CA ASP A 79 35.393 9.793 14.918 1.00 10.00 C ATOM 1198 C ASP A 79 35.513 8.874 16.143 1.00 10.00 C ATOM 1199 O ASP A 79 34.658 8.933 17.028 1.00 10.00 O ATOM 1200 CB ASP A 79 34.793 9.021 13.733 1.00 10.00 C ATOM 1201 CG ASP A 79 34.472 9.948 12.552 1.00 10.00 C ATOM 1202 OD1 ASP A 79 33.385 10.573 12.555 1.00 10.00 O ATOM 1203 OD2 ASP A 79 35.304 10.050 11.620 1.00 10.00 O ATOM 0 H ASP A 79 37.017 10.092 13.628 1.00 10.00 H new ATOM 0 HA ASP A 79 34.726 10.614 15.182 1.00 10.00 H new ATOM 0 HB2 ASP A 79 35.492 8.250 13.410 1.00 10.00 H new ATOM 0 HB3 ASP A 79 33.884 8.513 14.053 1.00 10.00 H new ATOM 1208 N ILE A 80 36.584 8.076 16.223 1.00 10.00 N ATOM 1209 CA ILE A 80 36.889 7.202 17.371 1.00 10.00 C ATOM 1210 C ILE A 80 37.200 8.024 18.633 1.00 10.00 C ATOM 1211 O ILE A 80 36.778 7.670 19.733 1.00 10.00 O ATOM 1212 CB ILE A 80 38.051 6.239 17.018 1.00 10.00 C ATOM 1213 CG1 ILE A 80 37.652 5.297 15.852 1.00 10.00 C ATOM 1214 CG2 ILE A 80 38.475 5.386 18.230 1.00 10.00 C ATOM 1215 CD1 ILE A 80 38.833 4.567 15.197 1.00 10.00 C ATOM 0 H ILE A 80 37.279 8.016 15.479 1.00 10.00 H new ATOM 0 HA ILE A 80 36.006 6.602 17.591 1.00 10.00 H new ATOM 0 HB ILE A 80 38.894 6.860 16.716 1.00 10.00 H new ATOM 0 HG12 ILE A 80 36.944 4.557 16.225 1.00 10.00 H new ATOM 0 HG13 ILE A 80 37.133 5.880 15.091 1.00 10.00 H new ATOM 0 HG21 ILE A 80 39.292 4.724 17.941 1.00 10.00 H new ATOM 0 HG22 ILE A 80 38.806 6.040 19.037 1.00 10.00 H new ATOM 0 HG23 ILE A 80 37.628 4.790 18.570 1.00 10.00 H new ATOM 0 HD11 ILE A 80 38.466 3.930 14.392 1.00 10.00 H new ATOM 0 HD12 ILE A 80 39.532 5.298 14.791 1.00 10.00 H new ATOM 0 HD13 ILE A 80 39.340 3.954 15.942 1.00 10.00 H new ATOM 1227 N ASP A 81 37.909 9.144 18.493 1.00 10.00 N ATOM 1228 CA ASP A 81 38.178 10.072 19.598 1.00 10.00 C ATOM 1229 C ASP A 81 36.896 10.754 20.118 1.00 10.00 C ATOM 1230 O ASP A 81 36.714 10.895 21.330 1.00 10.00 O ATOM 1231 CB ASP A 81 39.224 11.104 19.153 1.00 10.00 C ATOM 1232 CG ASP A 81 39.433 12.210 20.199 1.00 10.00 C ATOM 1233 OD1 ASP A 81 40.219 12.005 21.155 1.00 10.00 O ATOM 1234 OD2 ASP A 81 38.817 13.293 20.048 1.00 10.00 O ATOM 0 H ASP A 81 38.317 9.437 17.605 1.00 10.00 H new ATOM 0 HA ASP A 81 38.574 9.499 20.436 1.00 10.00 H new ATOM 0 HB2 ASP A 81 40.172 10.600 18.966 1.00 10.00 H new ATOM 0 HB3 ASP A 81 38.910 11.553 18.210 1.00 10.00 H new ATOM 1239 N SER A 82 35.986 11.133 19.215 1.00 10.00 N ATOM 1240 CA SER A 82 34.663 11.680 19.559 1.00 10.00 C ATOM 1241 C SER A 82 33.736 10.648 20.224 1.00 10.00 C ATOM 1242 O SER A 82 32.979 10.999 21.133 1.00 10.00 O ATOM 1243 CB SER A 82 33.969 12.227 18.310 1.00 10.00 C ATOM 1244 OG SER A 82 34.662 13.355 17.798 1.00 10.00 O ATOM 0 H SER A 82 36.147 11.069 18.210 1.00 10.00 H new ATOM 0 HA SER A 82 34.847 12.478 20.279 1.00 10.00 H new ATOM 0 HB2 SER A 82 33.918 11.450 17.548 1.00 10.00 H new ATOM 0 HB3 SER A 82 32.943 12.504 18.551 1.00 10.00 H new ATOM 0 HG SER A 82 34.202 13.687 16.999 1.00 10.00 H new ATOM 1250 N SER A 83 33.800 9.379 19.805 1.00 10.00 N ATOM 1251 CA SER A 83 33.089 8.246 20.415 1.00 10.00 C ATOM 1252 C SER A 83 33.797 6.932 20.081 1.00 10.00 C ATOM 1253 O SER A 83 33.909 6.557 18.912 1.00 10.00 O ATOM 1254 CB SER A 83 31.650 8.181 19.899 1.00 10.00 C ATOM 1255 OG SER A 83 30.926 7.187 20.607 1.00 10.00 O ATOM 0 H SER A 83 34.368 9.101 19.004 1.00 10.00 H new ATOM 0 HA SER A 83 33.082 8.392 21.495 1.00 10.00 H new ATOM 0 HB2 SER A 83 31.167 9.151 20.021 1.00 10.00 H new ATOM 0 HB3 SER A 83 31.647 7.955 18.833 1.00 10.00 H new ATOM 0 HG SER A 83 30.005 7.152 20.273 1.00 10.00 H new