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 56 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 60 MET CE :methyl -162:sc= -1.8 (180deg=-3.99!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.044) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 42 ASN : amide:sc= 0.961 K(o=0.96,f=0) USER MOD Single : A 44 THR OG1 : rot 52:sc= 1.23 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.68 K(o=-1.7,f=-4.2!) 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= -0.405 X(o=-0.41,f=-0.16) USER MOD Single : A 57 GLN : amide:sc= -0.0109 X(o=-0.011,f=-0.38) USER MOD Single : A 58 MET CE :methyl 171:sc= 0 (180deg=-0.0619) USER MOD Single : A 61 SER OG : rot 76:sc= 0.887 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 78 LYS NZ :NH3+ -152:sc= 1.22 (180deg=0.899) USER MOD Single : A 82 SER OG : rot 76:sc= 0.985 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 461 N LEU A 32 49.530 -12.691 16.462 1.00 10.00 N ATOM 462 CA LEU A 32 48.921 -13.010 15.168 1.00 10.00 C ATOM 463 C LEU A 32 50.008 -13.309 14.123 1.00 10.00 C ATOM 464 O LEU A 32 49.940 -14.295 13.389 1.00 10.00 O ATOM 465 CB LEU A 32 48.045 -11.808 14.755 1.00 10.00 C ATOM 466 CG LEU A 32 46.812 -12.126 13.888 1.00 10.00 C ATOM 467 CD1 LEU A 32 46.242 -10.811 13.351 1.00 10.00 C ATOM 468 CD2 LEU A 32 47.094 -13.046 12.703 1.00 10.00 C ATOM 0 HA LEU A 32 48.302 -13.904 15.240 1.00 10.00 H new ATOM 0 HB2 LEU A 32 47.706 -11.305 15.661 1.00 10.00 H new ATOM 0 HB3 LEU A 32 48.671 -11.099 14.212 1.00 10.00 H new ATOM 0 HG LEU A 32 46.111 -12.655 14.533 1.00 10.00 H new ATOM 0 HD11 LEU A 32 45.367 -11.018 12.734 1.00 10.00 H new ATOM 0 HD12 LEU A 32 45.954 -10.172 14.185 1.00 10.00 H new ATOM 0 HD13 LEU A 32 46.998 -10.305 12.750 1.00 10.00 H new ATOM 0 HD21 LEU A 32 46.172 -13.217 12.148 1.00 10.00 H new ATOM 0 HD22 LEU A 32 47.831 -12.581 12.048 1.00 10.00 H new ATOM 0 HD23 LEU A 32 47.481 -13.998 13.066 1.00 10.00 H new ATOM 480 N ASN A 33 51.060 -12.489 14.107 1.00 10.00 N ATOM 481 CA ASN A 33 52.207 -12.674 13.216 1.00 10.00 C ATOM 482 C ASN A 33 53.001 -13.945 13.565 1.00 10.00 C ATOM 483 O ASN A 33 53.388 -14.701 12.673 1.00 10.00 O ATOM 484 CB ASN A 33 53.081 -11.410 13.255 1.00 10.00 C ATOM 485 CG ASN A 33 54.216 -11.487 12.246 1.00 10.00 C ATOM 486 OD1 ASN A 33 54.012 -11.412 11.042 1.00 10.00 O ATOM 487 ND2 ASN A 33 55.441 -11.646 12.693 1.00 10.00 N ATOM 0 H ASN A 33 51.141 -11.674 14.715 1.00 10.00 H new ATOM 0 HA ASN A 33 51.850 -12.819 12.196 1.00 10.00 H new ATOM 0 HB2 ASN A 33 52.466 -10.534 13.047 1.00 10.00 H new ATOM 0 HB3 ASN A 33 53.491 -11.280 14.257 1.00 10.00 H new ATOM 0 HD21 ASN A 33 56.219 -11.707 12.037 1.00 10.00 H new ATOM 0 HD22 ASN A 33 55.614 -11.709 13.696 1.00 10.00 H new ATOM 494 N LYS A 34 53.176 -14.225 14.865 1.00 10.00 N ATOM 495 CA LYS A 34 53.778 -15.473 15.366 1.00 10.00 C ATOM 496 C LYS A 34 52.953 -16.702 14.978 1.00 10.00 C ATOM 497 O LYS A 34 53.520 -17.692 14.522 1.00 10.00 O ATOM 498 CB LYS A 34 53.991 -15.359 16.889 1.00 10.00 C ATOM 499 CG LYS A 34 54.608 -16.600 17.561 1.00 10.00 C ATOM 500 CD LYS A 34 55.979 -17.000 16.985 1.00 10.00 C ATOM 501 CE LYS A 34 56.681 -18.080 17.826 1.00 10.00 C ATOM 502 NZ LYS A 34 55.963 -19.383 17.806 1.00 10.00 N ATOM 0 H LYS A 34 52.900 -13.584 15.609 1.00 10.00 H new ATOM 0 HA LYS A 34 54.750 -15.614 14.893 1.00 10.00 H new ATOM 0 HB2 LYS A 34 54.634 -14.502 17.086 1.00 10.00 H new ATOM 0 HB3 LYS A 34 53.030 -15.151 17.359 1.00 10.00 H new ATOM 0 HG2 LYS A 34 54.715 -16.409 18.629 1.00 10.00 H new ATOM 0 HG3 LYS A 34 53.921 -17.439 17.455 1.00 10.00 H new ATOM 0 HD2 LYS A 34 55.849 -17.366 15.966 1.00 10.00 H new ATOM 0 HD3 LYS A 34 56.616 -16.118 16.928 1.00 10.00 H new ATOM 0 HE2 LYS A 34 57.695 -18.223 17.452 1.00 10.00 H new ATOM 0 HE3 LYS A 34 56.767 -17.733 18.856 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 56.479 -20.073 18.388 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 55.004 -19.257 18.188 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 55.903 -19.731 16.828 1.00 10.00 H new ATOM 516 N GLN A 35 51.626 -16.621 15.077 1.00 10.00 N ATOM 517 CA GLN A 35 50.700 -17.665 14.617 1.00 10.00 C ATOM 518 C GLN A 35 50.824 -17.922 13.114 1.00 10.00 C ATOM 519 O GLN A 35 50.823 -19.072 12.686 1.00 10.00 O ATOM 520 CB GLN A 35 49.250 -17.303 14.982 1.00 10.00 C ATOM 521 CG GLN A 35 48.856 -17.890 16.341 1.00 10.00 C ATOM 522 CD GLN A 35 48.538 -19.384 16.269 1.00 10.00 C ATOM 523 OE1 GLN A 35 49.385 -20.242 16.477 1.00 10.00 O ATOM 524 NE2 GLN A 35 47.309 -19.756 15.973 1.00 10.00 N ATOM 0 H GLN A 35 51.153 -15.815 15.486 1.00 10.00 H new ATOM 0 HA GLN A 35 50.974 -18.587 15.129 1.00 10.00 H new ATOM 0 HB2 GLN A 35 49.138 -16.219 15.005 1.00 10.00 H new ATOM 0 HB3 GLN A 35 48.575 -17.677 14.212 1.00 10.00 H new ATOM 0 HG2 GLN A 35 49.668 -17.729 17.051 1.00 10.00 H new ATOM 0 HG3 GLN A 35 47.987 -17.356 16.725 1.00 10.00 H new ATOM 0 HE21 GLN A 35 46.592 -19.053 15.797 1.00 10.00 H new ATOM 0 HE22 GLN A 35 47.075 -20.747 15.920 1.00 10.00 H new ATOM 533 N LEU A 36 50.965 -16.869 12.311 1.00 10.00 N ATOM 534 CA LEU A 36 51.071 -16.990 10.855 1.00 10.00 C ATOM 535 C LEU A 36 52.422 -17.543 10.401 1.00 10.00 C ATOM 536 O LEU A 36 52.460 -18.389 9.512 1.00 10.00 O ATOM 537 CB LEU A 36 50.743 -15.648 10.211 1.00 10.00 C ATOM 538 CG LEU A 36 50.541 -15.770 8.691 1.00 10.00 C ATOM 539 CD1 LEU A 36 49.514 -16.797 8.206 1.00 10.00 C ATOM 540 CD2 LEU A 36 50.035 -14.421 8.223 1.00 10.00 C ATOM 0 H LEU A 36 51.009 -15.908 12.649 1.00 10.00 H new ATOM 0 HA LEU A 36 50.341 -17.726 10.519 1.00 10.00 H new ATOM 0 HB2 LEU A 36 49.840 -15.240 10.665 1.00 10.00 H new ATOM 0 HB3 LEU A 36 51.549 -14.942 10.414 1.00 10.00 H new ATOM 0 HG LEU A 36 51.501 -16.099 8.293 1.00 10.00 H new ATOM 0 HD11 LEU A 36 49.470 -16.781 7.117 1.00 10.00 H new ATOM 0 HD12 LEU A 36 49.807 -17.791 8.543 1.00 10.00 H new ATOM 0 HD13 LEU A 36 48.533 -16.551 8.612 1.00 10.00 H new ATOM 0 HD21 LEU A 36 49.873 -14.447 7.145 1.00 10.00 H new ATOM 0 HD22 LEU A 36 49.096 -14.190 8.726 1.00 10.00 H new ATOM 0 HD23 LEU A 36 50.772 -13.654 8.460 1.00 10.00 H new ATOM 552 N GLN A 37 53.520 -17.139 11.040 1.00 10.00 N ATOM 553 CA GLN A 37 54.835 -17.735 10.793 1.00 10.00 C ATOM 554 C GLN A 37 54.903 -19.191 11.281 1.00 10.00 C ATOM 555 O GLN A 37 55.516 -20.031 10.626 1.00 10.00 O ATOM 556 CB GLN A 37 55.915 -16.856 11.449 1.00 10.00 C ATOM 557 CG GLN A 37 57.342 -17.300 11.083 1.00 10.00 C ATOM 558 CD GLN A 37 58.435 -16.406 11.676 1.00 10.00 C ATOM 559 OE1 GLN A 37 58.212 -15.307 12.169 1.00 10.00 O ATOM 560 NE2 GLN A 37 59.677 -16.847 11.658 1.00 10.00 N ATOM 0 H GLN A 37 53.525 -16.395 11.738 1.00 10.00 H new ATOM 0 HA GLN A 37 55.014 -17.771 9.718 1.00 10.00 H new ATOM 0 HB2 GLN A 37 55.771 -15.820 11.142 1.00 10.00 H new ATOM 0 HB3 GLN A 37 55.795 -16.887 12.532 1.00 10.00 H new ATOM 0 HG2 GLN A 37 57.495 -18.323 11.428 1.00 10.00 H new ATOM 0 HG3 GLN A 37 57.443 -17.311 9.998 1.00 10.00 H new ATOM 0 HE21 GLN A 37 59.889 -17.759 11.253 1.00 10.00 H new ATOM 0 HE22 GLN A 37 60.427 -16.276 12.049 1.00 10.00 H new ATOM 569 N ASP A 38 54.222 -19.529 12.377 1.00 10.00 N ATOM 570 CA ASP A 38 54.044 -20.921 12.812 1.00 10.00 C ATOM 571 C ASP A 38 53.183 -21.728 11.827 1.00 10.00 C ATOM 572 O ASP A 38 53.509 -22.877 11.522 1.00 10.00 O ATOM 573 CB ASP A 38 53.471 -20.962 14.235 1.00 10.00 C ATOM 574 CG ASP A 38 53.510 -22.386 14.810 1.00 10.00 C ATOM 575 OD1 ASP A 38 54.590 -22.807 15.289 1.00 10.00 O ATOM 576 OD2 ASP A 38 52.466 -23.078 14.799 1.00 10.00 O ATOM 0 H ASP A 38 53.777 -18.847 12.991 1.00 10.00 H new ATOM 0 HA ASP A 38 55.024 -21.398 12.824 1.00 10.00 H new ATOM 0 HB2 ASP A 38 54.041 -20.292 14.879 1.00 10.00 H new ATOM 0 HB3 ASP A 38 52.443 -20.599 14.226 1.00 10.00 H new ATOM 581 N ALA A 39 52.150 -21.113 11.239 1.00 10.00 N ATOM 582 CA ALA A 39 51.396 -21.708 10.135 1.00 10.00 C ATOM 583 C ALA A 39 52.317 -21.991 8.949 1.00 10.00 C ATOM 584 O ALA A 39 52.337 -23.103 8.432 1.00 10.00 O ATOM 585 CB ALA A 39 50.211 -20.824 9.690 1.00 10.00 C ATOM 0 H ALA A 39 51.816 -20.190 11.516 1.00 10.00 H new ATOM 0 HA ALA A 39 50.981 -22.647 10.502 1.00 10.00 H new ATOM 0 HB1 ALA A 39 49.683 -21.309 8.869 1.00 10.00 H new ATOM 0 HB2 ALA A 39 49.528 -20.683 10.527 1.00 10.00 H new ATOM 0 HB3 ALA A 39 50.584 -19.855 9.359 1.00 10.00 H new ATOM 591 N GLN A 40 53.127 -21.001 8.578 1.00 10.00 N ATOM 592 CA GLN A 40 54.079 -21.054 7.476 1.00 10.00 C ATOM 593 C GLN A 40 55.208 -22.056 7.722 1.00 10.00 C ATOM 594 O GLN A 40 55.762 -22.566 6.757 1.00 10.00 O ATOM 595 CB GLN A 40 54.657 -19.640 7.265 1.00 10.00 C ATOM 596 CG GLN A 40 55.326 -19.464 5.892 1.00 10.00 C ATOM 597 CD GLN A 40 55.806 -18.032 5.637 1.00 10.00 C ATOM 598 OE1 GLN A 40 56.069 -17.246 6.540 1.00 10.00 O ATOM 599 NE2 GLN A 40 55.943 -17.630 4.391 1.00 10.00 N ATOM 0 H GLN A 40 53.136 -20.102 9.060 1.00 10.00 H new ATOM 0 HA GLN A 40 53.553 -21.395 6.584 1.00 10.00 H new ATOM 0 HB2 GLN A 40 53.857 -18.907 7.370 1.00 10.00 H new ATOM 0 HB3 GLN A 40 55.386 -19.431 8.048 1.00 10.00 H new ATOM 0 HG2 GLN A 40 56.175 -20.144 5.818 1.00 10.00 H new ATOM 0 HG3 GLN A 40 54.620 -19.749 5.111 1.00 10.00 H new ATOM 0 HE21 GLN A 40 55.730 -18.267 3.623 1.00 10.00 H new ATOM 0 HE22 GLN A 40 56.262 -16.682 4.193 1.00 10.00 H new ATOM 608 N ALA A 41 55.566 -22.363 8.970 1.00 10.00 N ATOM 609 CA ALA A 41 56.482 -23.456 9.320 1.00 10.00 C ATOM 610 C ALA A 41 55.844 -24.848 9.333 1.00 10.00 C ATOM 611 O ALA A 41 56.484 -25.792 8.869 1.00 10.00 O ATOM 612 CB ALA A 41 57.206 -23.135 10.620 1.00 10.00 C ATOM 0 H ALA A 41 55.222 -21.851 9.783 1.00 10.00 H new ATOM 0 HA ALA A 41 57.212 -23.516 8.513 1.00 10.00 H new ATOM 0 HB1 ALA A 41 57.883 -23.952 10.871 1.00 10.00 H new ATOM 0 HB2 ALA A 41 57.777 -22.214 10.501 1.00 10.00 H new ATOM 0 HB3 ALA A 41 56.477 -23.009 11.421 1.00 10.00 H new ATOM 618 N ASN A 42 54.590 -25.006 9.772 1.00 10.00 N ATOM 619 CA ASN A 42 53.884 -26.278 9.570 1.00 10.00 C ATOM 620 C ASN A 42 53.701 -26.506 8.062 1.00 10.00 C ATOM 621 O ASN A 42 53.820 -27.630 7.571 1.00 10.00 O ATOM 622 CB ASN A 42 52.544 -26.318 10.326 1.00 10.00 C ATOM 623 CG ASN A 42 52.723 -26.506 11.824 1.00 10.00 C ATOM 624 OD1 ASN A 42 52.715 -27.617 12.337 1.00 10.00 O ATOM 625 ND2 ASN A 42 52.897 -25.446 12.576 1.00 10.00 N ATOM 0 H ASN A 42 54.053 -24.288 10.258 1.00 10.00 H new ATOM 0 HA ASN A 42 54.482 -27.090 9.984 1.00 10.00 H new ATOM 0 HB2 ASN A 42 52.000 -25.392 10.142 1.00 10.00 H new ATOM 0 HB3 ASN A 42 51.933 -27.130 9.932 1.00 10.00 H new ATOM 0 HD21 ASN A 42 53.025 -25.550 13.583 1.00 10.00 H new ATOM 0 HD22 ASN A 42 52.905 -24.517 12.154 1.00 10.00 H new ATOM 632 N LEU A 43 53.512 -25.413 7.316 1.00 10.00 N ATOM 633 CA LEU A 43 53.543 -25.400 5.875 1.00 10.00 C ATOM 634 C LEU A 43 54.953 -25.618 5.336 1.00 10.00 C ATOM 635 O LEU A 43 55.119 -26.326 4.369 1.00 10.00 O ATOM 636 CB LEU A 43 52.919 -24.085 5.366 1.00 10.00 C ATOM 637 CG LEU A 43 52.260 -24.292 4.015 1.00 10.00 C ATOM 638 CD1 LEU A 43 51.025 -25.147 4.233 1.00 10.00 C ATOM 639 CD2 LEU A 43 51.788 -23.010 3.354 1.00 10.00 C ATOM 0 H LEU A 43 53.329 -24.495 7.722 1.00 10.00 H new ATOM 0 HA LEU A 43 52.950 -26.234 5.499 1.00 10.00 H new ATOM 0 HB2 LEU A 43 52.182 -23.724 6.084 1.00 10.00 H new ATOM 0 HB3 LEU A 43 53.689 -23.318 5.287 1.00 10.00 H new ATOM 0 HG LEU A 43 53.009 -24.745 3.366 1.00 10.00 H new ATOM 0 HD11 LEU A 43 50.526 -25.315 3.279 1.00 10.00 H new ATOM 0 HD12 LEU A 43 51.317 -26.105 4.664 1.00 10.00 H new ATOM 0 HD13 LEU A 43 50.344 -24.636 4.913 1.00 10.00 H new ATOM 0 HD21 LEU A 43 51.329 -23.244 2.393 1.00 10.00 H new ATOM 0 HD22 LEU A 43 51.057 -22.518 3.995 1.00 10.00 H new ATOM 0 HD23 LEU A 43 52.639 -22.347 3.198 1.00 10.00 H new ATOM 651 N THR A 44 56.006 -25.120 5.965 1.00 10.00 N ATOM 652 CA THR A 44 57.372 -25.369 5.484 1.00 10.00 C ATOM 653 C THR A 44 57.719 -26.857 5.562 1.00 10.00 C ATOM 654 O THR A 44 58.360 -27.409 4.665 1.00 10.00 O ATOM 655 CB THR A 44 58.416 -24.556 6.253 1.00 10.00 C ATOM 656 OG1 THR A 44 58.302 -23.184 5.944 1.00 10.00 O ATOM 657 CG2 THR A 44 59.819 -24.994 5.875 1.00 10.00 C ATOM 0 H THR A 44 55.951 -24.544 6.805 1.00 10.00 H new ATOM 0 HA THR A 44 57.396 -25.048 4.443 1.00 10.00 H new ATOM 0 HB THR A 44 58.239 -24.723 7.316 1.00 10.00 H new ATOM 0 HG1 THR A 44 57.373 -22.898 6.065 1.00 10.00 H new ATOM 0 HG21 THR A 44 60.547 -24.404 6.432 1.00 10.00 H new ATOM 0 HG22 THR A 44 59.948 -26.050 6.114 1.00 10.00 H new ATOM 0 HG23 THR A 44 59.972 -24.843 4.806 1.00 10.00 H new ATOM 665 N LYS A 45 57.268 -27.518 6.632 1.00 10.00 N ATOM 666 CA LYS A 45 57.409 -28.966 6.826 1.00 10.00 C ATOM 667 C LYS A 45 56.691 -29.786 5.746 1.00 10.00 C ATOM 668 O LYS A 45 57.182 -30.852 5.371 1.00 10.00 O ATOM 669 CB LYS A 45 56.926 -29.322 8.237 1.00 10.00 C ATOM 670 CG LYS A 45 57.873 -28.823 9.345 1.00 10.00 C ATOM 671 CD LYS A 45 57.313 -29.029 10.761 1.00 10.00 C ATOM 672 CE LYS A 45 57.103 -30.509 11.112 1.00 10.00 C ATOM 673 NZ LYS A 45 56.620 -30.673 12.509 1.00 10.00 N ATOM 0 H LYS A 45 56.786 -27.054 7.402 1.00 10.00 H new ATOM 0 HA LYS A 45 58.462 -29.229 6.725 1.00 10.00 H new ATOM 0 HB2 LYS A 45 55.936 -28.894 8.394 1.00 10.00 H new ATOM 0 HB3 LYS A 45 56.822 -30.404 8.317 1.00 10.00 H new ATOM 0 HG2 LYS A 45 58.827 -29.343 9.260 1.00 10.00 H new ATOM 0 HG3 LYS A 45 58.074 -27.763 9.192 1.00 10.00 H new ATOM 0 HD2 LYS A 45 57.995 -28.583 11.484 1.00 10.00 H new ATOM 0 HD3 LYS A 45 56.363 -28.501 10.851 1.00 10.00 H new ATOM 0 HE2 LYS A 45 56.383 -30.949 10.423 1.00 10.00 H new ATOM 0 HE3 LYS A 45 58.040 -31.051 10.983 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 56.488 -31.684 12.714 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 57.320 -30.274 13.167 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 55.714 -30.176 12.624 1.00 10.00 H new ATOM 687 N ASN A 46 55.580 -29.279 5.207 1.00 10.00 N ATOM 688 CA ASN A 46 54.879 -29.816 4.051 1.00 10.00 C ATOM 689 C ASN A 46 54.124 -28.718 3.262 1.00 10.00 C ATOM 690 O ASN A 46 52.973 -28.418 3.598 1.00 10.00 O ATOM 691 CB ASN A 46 54.006 -30.967 4.536 1.00 10.00 C ATOM 692 CG ASN A 46 53.442 -31.794 3.381 1.00 10.00 C ATOM 693 OD1 ASN A 46 53.321 -31.356 2.246 1.00 10.00 O ATOM 694 ND2 ASN A 46 53.125 -33.047 3.623 1.00 10.00 N ATOM 0 H ASN A 46 55.129 -28.446 5.585 1.00 10.00 H new ATOM 0 HA ASN A 46 55.583 -30.209 3.317 1.00 10.00 H new ATOM 0 HB2 ASN A 46 54.591 -31.613 5.191 1.00 10.00 H new ATOM 0 HB3 ASN A 46 53.184 -30.570 5.131 1.00 10.00 H new ATOM 0 HD21 ASN A 46 52.783 -33.641 2.868 1.00 10.00 H new ATOM 0 HD22 ASN A 46 53.221 -33.425 4.566 1.00 10.00 H new ATOM 701 N PRO A 47 54.775 -28.079 2.261 1.00 10.00 N ATOM 702 CA PRO A 47 54.274 -26.881 1.571 1.00 10.00 C ATOM 703 C PRO A 47 52.840 -26.888 1.052 1.00 10.00 C ATOM 704 O PRO A 47 52.253 -25.811 0.931 1.00 10.00 O ATOM 705 CB PRO A 47 55.278 -26.604 0.471 1.00 10.00 C ATOM 706 CG PRO A 47 56.601 -27.021 1.105 1.00 10.00 C ATOM 707 CD PRO A 47 56.214 -28.184 2.018 1.00 10.00 C ATOM 0 HA PRO A 47 54.195 -26.088 2.315 1.00 10.00 H new ATOM 0 HB2 PRO A 47 55.061 -27.181 -0.428 1.00 10.00 H new ATOM 0 HB3 PRO A 47 55.282 -25.553 0.183 1.00 10.00 H new ATOM 0 HG2 PRO A 47 57.327 -27.327 0.352 1.00 10.00 H new ATOM 0 HG3 PRO A 47 57.051 -26.203 1.667 1.00 10.00 H new ATOM 0 HD2 PRO A 47 56.457 -29.138 1.551 1.00 10.00 H new ATOM 0 HD3 PRO A 47 56.767 -28.138 2.956 1.00 10.00 H new ATOM 715 N SER A 48 52.247 -28.054 0.786 1.00 10.00 N ATOM 716 CA SER A 48 50.843 -28.183 0.459 1.00 10.00 C ATOM 717 C SER A 48 50.062 -29.235 1.245 1.00 10.00 C ATOM 718 O SER A 48 49.055 -29.769 0.772 1.00 10.00 O ATOM 719 CB SER A 48 50.732 -28.269 -1.049 1.00 10.00 C ATOM 720 OG SER A 48 51.254 -29.489 -1.558 1.00 10.00 O ATOM 0 H SER A 48 52.745 -28.944 0.794 1.00 10.00 H new ATOM 0 HA SER A 48 50.319 -27.292 0.806 1.00 10.00 H new ATOM 0 HB2 SER A 48 49.686 -28.174 -1.340 1.00 10.00 H new ATOM 0 HB3 SER A 48 51.266 -27.432 -1.499 1.00 10.00 H new ATOM 0 HG SER A 48 51.161 -29.503 -2.533 1.00 10.00 H new ATOM 726 N ASP A 49 50.512 -29.512 2.472 1.00 10.00 N ATOM 727 CA ASP A 49 49.735 -30.292 3.443 1.00 10.00 C ATOM 728 C ASP A 49 48.428 -29.514 3.660 1.00 10.00 C ATOM 729 O ASP A 49 48.469 -28.323 3.975 1.00 10.00 O ATOM 730 CB ASP A 49 50.530 -30.523 4.736 1.00 10.00 C ATOM 731 CG ASP A 49 49.693 -31.064 5.915 1.00 10.00 C ATOM 732 OD1 ASP A 49 48.711 -30.411 6.338 1.00 10.00 O ATOM 733 OD2 ASP A 49 50.015 -32.167 6.415 1.00 10.00 O ATOM 0 H ASP A 49 51.420 -29.204 2.820 1.00 10.00 H new ATOM 0 HA ASP A 49 49.513 -31.295 3.079 1.00 10.00 H new ATOM 0 HB2 ASP A 49 51.339 -31.224 4.530 1.00 10.00 H new ATOM 0 HB3 ASP A 49 50.992 -29.582 5.036 1.00 10.00 H new ATOM 738 N PRO A 50 47.259 -30.132 3.461 1.00 10.00 N ATOM 739 CA PRO A 50 46.010 -29.397 3.410 1.00 10.00 C ATOM 740 C PRO A 50 45.537 -28.809 4.732 1.00 10.00 C ATOM 741 O PRO A 50 44.861 -27.789 4.698 1.00 10.00 O ATOM 742 CB PRO A 50 44.998 -30.375 2.849 1.00 10.00 C ATOM 743 CG PRO A 50 45.550 -31.756 3.214 1.00 10.00 C ATOM 744 CD PRO A 50 47.061 -31.546 3.221 1.00 10.00 C ATOM 0 HA PRO A 50 46.146 -28.509 2.792 1.00 10.00 H new ATOM 0 HB2 PRO A 50 44.011 -30.216 3.283 1.00 10.00 H new ATOM 0 HB3 PRO A 50 44.894 -30.262 1.770 1.00 10.00 H new ATOM 0 HG2 PRO A 50 45.187 -32.089 4.186 1.00 10.00 H new ATOM 0 HG3 PRO A 50 45.253 -32.512 2.487 1.00 10.00 H new ATOM 0 HD2 PRO A 50 47.536 -32.145 3.998 1.00 10.00 H new ATOM 0 HD3 PRO A 50 47.503 -31.848 2.271 1.00 10.00 H new ATOM 752 N THR A 51 45.887 -29.383 5.882 1.00 10.00 N ATOM 753 CA THR A 51 45.615 -28.763 7.191 1.00 10.00 C ATOM 754 C THR A 51 46.606 -27.650 7.476 1.00 10.00 C ATOM 755 O THR A 51 46.189 -26.600 7.941 1.00 10.00 O ATOM 756 CB THR A 51 45.687 -29.814 8.292 1.00 10.00 C ATOM 757 OG1 THR A 51 44.512 -30.601 8.281 1.00 10.00 O ATOM 758 CG2 THR A 51 45.865 -29.244 9.698 1.00 10.00 C ATOM 0 H THR A 51 46.363 -30.283 5.940 1.00 10.00 H new ATOM 0 HA THR A 51 44.612 -28.336 7.166 1.00 10.00 H new ATOM 0 HB THR A 51 46.576 -30.405 8.070 1.00 10.00 H new ATOM 0 HG1 THR A 51 44.564 -31.276 8.989 1.00 10.00 H new ATOM 0 HG21 THR A 51 45.906 -30.060 10.419 1.00 10.00 H new ATOM 0 HG22 THR A 51 46.792 -28.672 9.744 1.00 10.00 H new ATOM 0 HG23 THR A 51 45.024 -28.592 9.936 1.00 10.00 H new ATOM 766 N ALA A 52 47.889 -27.820 7.163 1.00 10.00 N ATOM 767 CA ALA A 52 48.872 -26.742 7.210 1.00 10.00 C ATOM 768 C ALA A 52 48.450 -25.555 6.353 1.00 10.00 C ATOM 769 O ALA A 52 48.548 -24.407 6.786 1.00 10.00 O ATOM 770 CB ALA A 52 50.215 -27.340 6.759 1.00 10.00 C ATOM 0 H ALA A 52 48.277 -28.716 6.868 1.00 10.00 H new ATOM 0 HA ALA A 52 48.960 -26.345 8.221 1.00 10.00 H new ATOM 0 HB1 ALA A 52 50.983 -26.566 6.779 1.00 10.00 H new ATOM 0 HB2 ALA A 52 50.498 -28.149 7.433 1.00 10.00 H new ATOM 0 HB3 ALA A 52 50.118 -27.729 5.745 1.00 10.00 H new ATOM 776 N LEU A 53 47.936 -25.831 5.161 1.00 10.00 N ATOM 777 CA LEU A 53 47.536 -24.822 4.198 1.00 10.00 C ATOM 778 C LEU A 53 46.174 -24.226 4.558 1.00 10.00 C ATOM 779 O LEU A 53 45.999 -23.018 4.460 1.00 10.00 O ATOM 780 CB LEU A 53 47.614 -25.490 2.820 1.00 10.00 C ATOM 781 CG LEU A 53 47.708 -24.595 1.575 1.00 10.00 C ATOM 782 CD1 LEU A 53 48.259 -23.201 1.830 1.00 10.00 C ATOM 783 CD2 LEU A 53 48.686 -25.275 0.620 1.00 10.00 C ATOM 0 H LEU A 53 47.784 -26.785 4.833 1.00 10.00 H new ATOM 0 HA LEU A 53 48.196 -23.954 4.198 1.00 10.00 H new ATOM 0 HB2 LEU A 53 48.482 -26.150 2.820 1.00 10.00 H new ATOM 0 HB3 LEU A 53 46.733 -26.122 2.708 1.00 10.00 H new ATOM 0 HG LEU A 53 46.693 -24.475 1.195 1.00 10.00 H new ATOM 0 HD11 LEU A 53 48.288 -22.644 0.893 1.00 10.00 H new ATOM 0 HD12 LEU A 53 47.618 -22.681 2.542 1.00 10.00 H new ATOM 0 HD13 LEU A 53 49.267 -23.277 2.238 1.00 10.00 H new ATOM 0 HD21 LEU A 53 48.788 -24.675 -0.284 1.00 10.00 H new ATOM 0 HD22 LEU A 53 49.658 -25.371 1.103 1.00 10.00 H new ATOM 0 HD23 LEU A 53 48.311 -26.265 0.359 1.00 10.00 H new ATOM 795 N ALA A 54 45.247 -25.033 5.081 1.00 10.00 N ATOM 796 CA ALA A 54 43.995 -24.565 5.674 1.00 10.00 C ATOM 797 C ALA A 54 44.258 -23.646 6.877 1.00 10.00 C ATOM 798 O ALA A 54 43.624 -22.602 7.025 1.00 10.00 O ATOM 799 CB ALA A 54 43.169 -25.785 6.116 1.00 10.00 C ATOM 0 H ALA A 54 45.349 -26.048 5.104 1.00 10.00 H new ATOM 0 HA ALA A 54 43.446 -23.988 4.930 1.00 10.00 H new ATOM 0 HB1 ALA A 54 42.232 -25.449 6.560 1.00 10.00 H new ATOM 0 HB2 ALA A 54 42.956 -26.413 5.251 1.00 10.00 H new ATOM 0 HB3 ALA A 54 43.733 -26.360 6.851 1.00 10.00 H new ATOM 805 N ASN A 55 45.228 -24.019 7.714 1.00 10.00 N ATOM 806 CA ASN A 55 45.644 -23.290 8.901 1.00 10.00 C ATOM 807 C ASN A 55 46.272 -21.946 8.525 1.00 10.00 C ATOM 808 O ASN A 55 45.814 -20.894 8.962 1.00 10.00 O ATOM 809 CB ASN A 55 46.631 -24.188 9.660 1.00 10.00 C ATOM 810 CG ASN A 55 47.317 -23.543 10.833 1.00 10.00 C ATOM 811 OD1 ASN A 55 46.704 -23.142 11.809 1.00 10.00 O ATOM 812 ND2 ASN A 55 48.623 -23.466 10.760 1.00 10.00 N ATOM 0 H ASN A 55 45.764 -24.875 7.572 1.00 10.00 H new ATOM 0 HA ASN A 55 44.788 -23.058 9.535 1.00 10.00 H new ATOM 0 HB2 ASN A 55 46.096 -25.070 10.013 1.00 10.00 H new ATOM 0 HB3 ASN A 55 47.392 -24.535 8.961 1.00 10.00 H new ATOM 0 HD21 ASN A 55 49.154 -23.063 11.532 1.00 10.00 H new ATOM 0 HD22 ASN A 55 49.109 -23.809 9.931 1.00 10.00 H new ATOM 819 N TYR A 56 47.272 -21.985 7.646 1.00 10.00 N ATOM 820 CA TYR A 56 47.863 -20.790 7.032 1.00 10.00 C ATOM 821 C TYR A 56 46.826 -19.901 6.352 1.00 10.00 C ATOM 822 O TYR A 56 46.811 -18.712 6.632 1.00 10.00 O ATOM 823 CB TYR A 56 49.003 -21.247 6.112 1.00 10.00 C ATOM 824 CG TYR A 56 49.666 -20.257 5.176 1.00 10.00 C ATOM 825 CD1 TYR A 56 49.196 -20.129 3.854 1.00 10.00 C ATOM 826 CD2 TYR A 56 50.869 -19.631 5.560 1.00 10.00 C ATOM 827 CE1 TYR A 56 49.951 -19.415 2.904 1.00 10.00 C ATOM 828 CE2 TYR A 56 51.626 -18.917 4.611 1.00 10.00 C ATOM 829 CZ TYR A 56 51.180 -18.829 3.272 1.00 10.00 C ATOM 830 OH TYR A 56 51.923 -18.173 2.338 1.00 10.00 O ATOM 0 H TYR A 56 47.702 -22.856 7.334 1.00 10.00 H new ATOM 0 HA TYR A 56 48.280 -20.140 7.802 1.00 10.00 H new ATOM 0 HB2 TYR A 56 49.784 -21.665 6.747 1.00 10.00 H new ATOM 0 HB3 TYR A 56 48.618 -22.063 5.501 1.00 10.00 H new ATOM 0 HD1 TYR A 56 48.256 -20.579 3.569 1.00 10.00 H new ATOM 0 HD2 TYR A 56 51.210 -19.699 6.582 1.00 10.00 H new ATOM 0 HE1 TYR A 56 49.588 -19.316 1.892 1.00 10.00 H new ATOM 0 HE2 TYR A 56 52.547 -18.437 4.906 1.00 10.00 H new ATOM 0 HH TYR A 56 52.740 -17.827 2.754 1.00 10.00 H new ATOM 840 N GLN A 57 45.887 -20.440 5.578 1.00 10.00 N ATOM 841 CA GLN A 57 44.819 -19.639 4.964 1.00 10.00 C ATOM 842 C GLN A 57 43.884 -18.999 6.004 1.00 10.00 C ATOM 843 O GLN A 57 43.527 -17.828 5.870 1.00 10.00 O ATOM 844 CB GLN A 57 44.001 -20.485 3.970 1.00 10.00 C ATOM 845 CG GLN A 57 44.720 -20.701 2.626 1.00 10.00 C ATOM 846 CD GLN A 57 44.798 -19.456 1.737 1.00 10.00 C ATOM 847 OE1 GLN A 57 44.209 -18.411 1.986 1.00 10.00 O ATOM 848 NE2 GLN A 57 45.534 -19.518 0.648 1.00 10.00 N ATOM 0 H GLN A 57 45.840 -21.435 5.357 1.00 10.00 H new ATOM 0 HA GLN A 57 45.312 -18.828 4.427 1.00 10.00 H new ATOM 0 HB2 GLN A 57 43.785 -21.454 4.419 1.00 10.00 H new ATOM 0 HB3 GLN A 57 43.043 -19.997 3.789 1.00 10.00 H new ATOM 0 HG2 GLN A 57 45.732 -21.055 2.823 1.00 10.00 H new ATOM 0 HG3 GLN A 57 44.207 -21.491 2.078 1.00 10.00 H new ATOM 0 HE21 GLN A 57 46.034 -20.377 0.419 1.00 10.00 H new ATOM 0 HE22 GLN A 57 45.604 -18.707 0.033 1.00 10.00 H new ATOM 857 N MET A 58 43.515 -19.725 7.064 1.00 10.00 N ATOM 858 CA MET A 58 42.653 -19.228 8.145 1.00 10.00 C ATOM 859 C MET A 58 43.320 -18.117 8.959 1.00 10.00 C ATOM 860 O MET A 58 42.719 -17.072 9.214 1.00 10.00 O ATOM 861 CB MET A 58 42.270 -20.414 9.042 1.00 10.00 C ATOM 862 CG MET A 58 41.408 -20.037 10.252 1.00 10.00 C ATOM 863 SD MET A 58 41.034 -21.418 11.370 1.00 10.00 S ATOM 864 CE MET A 58 42.652 -21.650 12.162 1.00 10.00 C ATOM 0 H MET A 58 43.811 -20.692 7.199 1.00 10.00 H new ATOM 0 HA MET A 58 41.760 -18.784 7.706 1.00 10.00 H new ATOM 0 HB2 MET A 58 41.733 -21.149 8.443 1.00 10.00 H new ATOM 0 HB3 MET A 58 43.181 -20.896 9.396 1.00 10.00 H new ATOM 0 HG2 MET A 58 41.918 -19.257 10.817 1.00 10.00 H new ATOM 0 HG3 MET A 58 40.470 -19.611 9.895 1.00 10.00 H new ATOM 0 HE1 MET A 58 42.555 -22.353 12.989 1.00 10.00 H new ATOM 0 HE2 MET A 58 43.361 -22.043 11.433 1.00 10.00 H new ATOM 0 HE3 MET A 58 43.013 -20.693 12.540 1.00 10.00 H new ATOM 874 N ILE A 59 44.581 -18.316 9.340 1.00 10.00 N ATOM 875 CA ILE A 59 45.364 -17.343 10.085 1.00 10.00 C ATOM 876 C ILE A 59 45.710 -16.150 9.187 1.00 10.00 C ATOM 877 O ILE A 59 45.684 -15.014 9.653 1.00 10.00 O ATOM 878 CB ILE A 59 46.597 -18.069 10.650 1.00 10.00 C ATOM 879 CG1 ILE A 59 46.208 -19.146 11.693 1.00 10.00 C ATOM 880 CG2 ILE A 59 47.568 -17.106 11.322 1.00 10.00 C ATOM 881 CD1 ILE A 59 47.412 -19.972 12.149 1.00 10.00 C ATOM 0 H ILE A 59 45.092 -19.174 9.134 1.00 10.00 H new ATOM 0 HA ILE A 59 44.804 -16.927 10.923 1.00 10.00 H new ATOM 0 HB ILE A 59 47.075 -18.539 9.790 1.00 10.00 H new ATOM 0 HG12 ILE A 59 45.752 -18.664 12.558 1.00 10.00 H new ATOM 0 HG13 ILE A 59 45.456 -19.809 11.265 1.00 10.00 H new ATOM 0 HG21 ILE A 59 48.424 -17.661 11.706 1.00 10.00 H new ATOM 0 HG22 ILE A 59 47.910 -16.369 10.596 1.00 10.00 H new ATOM 0 HG23 ILE A 59 47.066 -16.598 12.145 1.00 10.00 H new ATOM 0 HD11 ILE A 59 47.089 -20.713 12.880 1.00 10.00 H new ATOM 0 HD12 ILE A 59 47.853 -20.477 11.290 1.00 10.00 H new ATOM 0 HD13 ILE A 59 48.153 -19.314 12.603 1.00 10.00 H new ATOM 893 N MET A 60 45.964 -16.367 7.894 1.00 10.00 N ATOM 894 CA MET A 60 46.222 -15.288 6.939 1.00 10.00 C ATOM 895 C MET A 60 44.980 -14.437 6.652 1.00 10.00 C ATOM 896 O MET A 60 45.084 -13.219 6.514 1.00 10.00 O ATOM 897 CB MET A 60 46.808 -15.840 5.638 1.00 10.00 C ATOM 898 CG MET A 60 47.565 -14.736 4.908 1.00 10.00 C ATOM 899 SD MET A 60 48.576 -15.307 3.521 1.00 10.00 S ATOM 900 CE MET A 60 49.889 -16.085 4.497 1.00 10.00 C ATOM 0 H MET A 60 45.996 -17.298 7.480 1.00 10.00 H new ATOM 0 HA MET A 60 46.954 -14.630 7.406 1.00 10.00 H new ATOM 0 HB2 MET A 60 47.478 -16.673 5.854 1.00 10.00 H new ATOM 0 HB3 MET A 60 46.011 -16.228 5.004 1.00 10.00 H new ATOM 0 HG2 MET A 60 46.847 -14.003 4.540 1.00 10.00 H new ATOM 0 HG3 MET A 60 48.208 -14.221 5.622 1.00 10.00 H new ATOM 0 HE1 MET A 60 50.772 -16.224 3.873 1.00 10.00 H new ATOM 0 HE2 MET A 60 50.140 -15.447 5.344 1.00 10.00 H new ATOM 0 HE3 MET A 60 49.546 -17.053 4.861 1.00 10.00 H new ATOM 910 N SER A 61 43.801 -15.063 6.631 1.00 10.00 N ATOM 911 CA SER A 61 42.505 -14.375 6.563 1.00 10.00 C ATOM 912 C SER A 61 42.315 -13.418 7.746 1.00 10.00 C ATOM 913 O SER A 61 41.868 -12.285 7.562 1.00 10.00 O ATOM 914 CB SER A 61 41.356 -15.395 6.508 1.00 10.00 C ATOM 915 OG SER A 61 41.372 -16.095 5.276 1.00 10.00 O ATOM 0 H SER A 61 43.716 -16.079 6.661 1.00 10.00 H new ATOM 0 HA SER A 61 42.492 -13.781 5.649 1.00 10.00 H new ATOM 0 HB2 SER A 61 41.448 -16.100 7.335 1.00 10.00 H new ATOM 0 HB3 SER A 61 40.401 -14.883 6.630 1.00 10.00 H new ATOM 0 HG SER A 61 42.095 -16.756 5.285 1.00 10.00 H new ATOM 921 N GLU A 62 42.720 -13.829 8.952 1.00 10.00 N ATOM 922 CA GLU A 62 42.736 -12.967 10.141 1.00 10.00 C ATOM 923 C GLU A 62 43.840 -11.895 10.082 1.00 10.00 C ATOM 924 O GLU A 62 43.579 -10.717 10.322 1.00 10.00 O ATOM 925 CB GLU A 62 42.847 -13.855 11.394 1.00 10.00 C ATOM 926 CG GLU A 62 42.625 -13.065 12.689 1.00 10.00 C ATOM 927 CD GLU A 62 42.489 -14.014 13.894 1.00 10.00 C ATOM 928 OE1 GLU A 62 43.518 -14.369 14.518 1.00 10.00 O ATOM 929 OE2 GLU A 62 41.345 -14.411 14.231 1.00 10.00 O ATOM 0 H GLU A 62 43.049 -14.777 9.133 1.00 10.00 H new ATOM 0 HA GLU A 62 41.802 -12.406 10.182 1.00 10.00 H new ATOM 0 HB2 GLU A 62 42.115 -14.660 11.332 1.00 10.00 H new ATOM 0 HB3 GLU A 62 43.832 -14.321 11.420 1.00 10.00 H new ATOM 0 HG2 GLU A 62 43.459 -12.382 12.851 1.00 10.00 H new ATOM 0 HG3 GLU A 62 41.726 -12.455 12.598 1.00 10.00 H new ATOM 936 N TYR A 63 45.056 -12.276 9.690 1.00 10.00 N ATOM 937 CA TYR A 63 46.213 -11.381 9.552 1.00 10.00 C ATOM 938 C TYR A 63 45.941 -10.208 8.610 1.00 10.00 C ATOM 939 O TYR A 63 46.212 -9.051 8.942 1.00 10.00 O ATOM 940 CB TYR A 63 47.408 -12.208 9.063 1.00 10.00 C ATOM 941 CG TYR A 63 48.644 -11.436 8.651 1.00 10.00 C ATOM 942 CD1 TYR A 63 49.565 -10.989 9.616 1.00 10.00 C ATOM 943 CD2 TYR A 63 48.913 -11.255 7.279 1.00 10.00 C ATOM 944 CE1 TYR A 63 50.765 -10.370 9.209 1.00 10.00 C ATOM 945 CE2 TYR A 63 50.111 -10.645 6.869 1.00 10.00 C ATOM 946 CZ TYR A 63 51.043 -10.207 7.834 1.00 10.00 C ATOM 947 OH TYR A 63 52.192 -9.602 7.428 1.00 10.00 O ATOM 0 H TYR A 63 45.273 -13.244 9.452 1.00 10.00 H new ATOM 0 HA TYR A 63 46.428 -10.940 10.525 1.00 10.00 H new ATOM 0 HB2 TYR A 63 47.688 -12.903 9.855 1.00 10.00 H new ATOM 0 HB3 TYR A 63 47.082 -12.808 8.213 1.00 10.00 H new ATOM 0 HD1 TYR A 63 49.353 -11.120 10.667 1.00 10.00 H new ATOM 0 HD2 TYR A 63 48.197 -11.586 6.541 1.00 10.00 H new ATOM 0 HE1 TYR A 63 51.471 -10.021 9.948 1.00 10.00 H new ATOM 0 HE2 TYR A 63 50.318 -10.512 5.817 1.00 10.00 H new ATOM 0 HH TYR A 63 52.220 -9.576 6.449 1.00 10.00 H new ATOM 957 N ASN A 64 45.361 -10.502 7.446 1.00 10.00 N ATOM 958 CA ASN A 64 45.081 -9.501 6.423 1.00 10.00 C ATOM 959 C ASN A 64 44.013 -8.488 6.892 1.00 10.00 C ATOM 960 O ASN A 64 44.123 -7.288 6.637 1.00 10.00 O ATOM 961 CB ASN A 64 44.650 -10.224 5.137 1.00 10.00 C ATOM 962 CG ASN A 64 44.435 -9.255 3.985 1.00 10.00 C ATOM 963 OD1 ASN A 64 45.319 -8.501 3.600 1.00 10.00 O ATOM 964 ND2 ASN A 64 43.259 -9.233 3.397 1.00 10.00 N ATOM 0 H ASN A 64 45.072 -11.446 7.188 1.00 10.00 H new ATOM 0 HA ASN A 64 45.983 -8.921 6.228 1.00 10.00 H new ATOM 0 HB2 ASN A 64 45.410 -10.955 4.860 1.00 10.00 H new ATOM 0 HB3 ASN A 64 43.729 -10.777 5.323 1.00 10.00 H new ATOM 0 HD21 ASN A 64 43.087 -8.590 2.624 1.00 10.00 H new ATOM 0 HD22 ASN A 64 42.519 -9.859 3.714 1.00 10.00 H new ATOM 1108 N VAL A 74 46.788 4.251 10.504 1.00 10.00 N ATOM 1109 CA VAL A 74 48.057 4.769 9.966 1.00 10.00 C ATOM 1110 C VAL A 74 47.850 6.035 9.121 1.00 10.00 C ATOM 1111 O VAL A 74 48.667 6.955 9.196 1.00 10.00 O ATOM 1112 CB VAL A 74 48.765 3.637 9.197 1.00 10.00 C ATOM 1113 CG1 VAL A 74 49.863 4.123 8.261 1.00 10.00 C ATOM 1114 CG2 VAL A 74 49.394 2.638 10.178 1.00 10.00 C ATOM 0 HA VAL A 74 48.702 5.084 10.787 1.00 10.00 H new ATOM 0 HB VAL A 74 47.988 3.171 8.591 1.00 10.00 H new ATOM 0 HG11 VAL A 74 50.314 3.269 7.756 1.00 10.00 H new ATOM 0 HG12 VAL A 74 49.437 4.799 7.520 1.00 10.00 H new ATOM 0 HG13 VAL A 74 50.625 4.649 8.836 1.00 10.00 H new ATOM 0 HG21 VAL A 74 49.891 1.844 9.620 1.00 10.00 H new ATOM 0 HG22 VAL A 74 50.123 3.153 10.804 1.00 10.00 H new ATOM 0 HG23 VAL A 74 48.616 2.207 10.808 1.00 10.00 H new ATOM 1124 N LYS A 75 46.711 6.144 8.416 1.00 10.00 N ATOM 1125 CA LYS A 75 46.248 7.361 7.712 1.00 10.00 C ATOM 1126 C LYS A 75 46.232 8.641 8.569 1.00 10.00 C ATOM 1127 O LYS A 75 46.319 9.733 8.006 1.00 10.00 O ATOM 1128 CB LYS A 75 44.847 7.115 7.120 1.00 10.00 C ATOM 1129 CG LYS A 75 44.871 6.178 5.904 1.00 10.00 C ATOM 1130 CD LYS A 75 43.452 5.975 5.353 1.00 10.00 C ATOM 1131 CE LYS A 75 43.482 5.060 4.124 1.00 10.00 C ATOM 1132 NZ LYS A 75 42.123 4.877 3.547 1.00 10.00 N ATOM 0 H LYS A 75 46.063 5.363 8.315 1.00 10.00 H new ATOM 0 HA LYS A 75 46.983 7.544 6.928 1.00 10.00 H new ATOM 0 HB2 LYS A 75 44.202 6.689 7.889 1.00 10.00 H new ATOM 0 HB3 LYS A 75 44.408 8.069 6.829 1.00 10.00 H new ATOM 0 HG2 LYS A 75 45.512 6.596 5.128 1.00 10.00 H new ATOM 0 HG3 LYS A 75 45.299 5.216 6.187 1.00 10.00 H new ATOM 0 HD2 LYS A 75 42.815 5.540 6.123 1.00 10.00 H new ATOM 0 HD3 LYS A 75 43.017 6.938 5.087 1.00 10.00 H new ATOM 0 HE2 LYS A 75 44.145 5.484 3.370 1.00 10.00 H new ATOM 0 HE3 LYS A 75 43.894 4.090 4.401 1.00 10.00 H new ATOM 0 HZ1 LYS A 75 42.179 4.253 2.717 1.00 10.00 H new ATOM 0 HZ2 LYS A 75 41.498 4.450 4.260 1.00 10.00 H new ATOM 0 HZ3 LYS A 75 41.740 5.801 3.260 1.00 10.00 H new ATOM 1146 N SER A 76 46.184 8.521 9.897 1.00 10.00 N ATOM 1147 CA SER A 76 46.136 9.638 10.858 1.00 10.00 C ATOM 1148 C SER A 76 47.270 9.584 11.887 1.00 10.00 C ATOM 1149 O SER A 76 47.838 10.623 12.220 1.00 10.00 O ATOM 1150 CB SER A 76 44.780 9.620 11.581 1.00 10.00 C ATOM 1151 OG SER A 76 43.713 9.812 10.664 1.00 10.00 O ATOM 0 H SER A 76 46.177 7.610 10.356 1.00 10.00 H new ATOM 0 HA SER A 76 46.262 10.563 10.295 1.00 10.00 H new ATOM 0 HB2 SER A 76 44.653 8.670 12.099 1.00 10.00 H new ATOM 0 HB3 SER A 76 44.758 10.402 12.340 1.00 10.00 H new ATOM 0 HG SER A 76 42.860 9.795 11.146 1.00 10.00 H new ATOM 1157 N MET A 77 47.684 8.392 12.332 1.00 10.00 N ATOM 1158 CA MET A 77 48.832 8.210 13.235 1.00 10.00 C ATOM 1159 C MET A 77 50.161 8.684 12.625 1.00 10.00 C ATOM 1160 O MET A 77 51.059 9.071 13.375 1.00 10.00 O ATOM 1161 CB MET A 77 48.938 6.744 13.689 1.00 10.00 C ATOM 1162 CG MET A 77 47.765 6.310 14.578 1.00 10.00 C ATOM 1163 SD MET A 77 47.637 7.189 16.161 1.00 10.00 S ATOM 1164 CE MET A 77 46.135 6.409 16.811 1.00 10.00 C ATOM 0 H MET A 77 47.229 7.516 12.074 1.00 10.00 H new ATOM 0 HA MET A 77 48.646 8.842 14.103 1.00 10.00 H new ATOM 0 HB2 MET A 77 48.981 6.099 12.811 1.00 10.00 H new ATOM 0 HB3 MET A 77 49.872 6.604 14.233 1.00 10.00 H new ATOM 0 HG2 MET A 77 46.837 6.452 14.024 1.00 10.00 H new ATOM 0 HG3 MET A 77 47.856 5.242 14.779 1.00 10.00 H new ATOM 0 HE1 MET A 77 45.901 6.830 17.789 1.00 10.00 H new ATOM 0 HE2 MET A 77 45.305 6.593 16.129 1.00 10.00 H new ATOM 0 HE3 MET A 77 46.295 5.335 16.907 1.00 10.00 H new ATOM 1174 N LYS A 78 50.281 8.749 11.288 1.00 10.00 N ATOM 1175 CA LYS A 78 51.427 9.372 10.592 1.00 10.00 C ATOM 1176 C LYS A 78 51.712 10.818 11.034 1.00 10.00 C ATOM 1177 O LYS A 78 52.868 11.240 11.070 1.00 10.00 O ATOM 1178 CB LYS A 78 51.239 9.264 9.066 1.00 10.00 C ATOM 1179 CG LYS A 78 50.201 10.241 8.483 1.00 10.00 C ATOM 1180 CD LYS A 78 49.887 9.919 7.014 1.00 10.00 C ATOM 1181 CE LYS A 78 49.272 11.099 6.242 1.00 10.00 C ATOM 1182 NZ LYS A 78 48.041 11.644 6.875 1.00 10.00 N ATOM 0 H LYS A 78 49.581 8.368 10.652 1.00 10.00 H new ATOM 0 HA LYS A 78 52.316 8.812 10.882 1.00 10.00 H new ATOM 0 HB2 LYS A 78 52.199 9.440 8.580 1.00 10.00 H new ATOM 0 HB3 LYS A 78 50.940 8.245 8.820 1.00 10.00 H new ATOM 0 HG2 LYS A 78 49.284 10.193 9.071 1.00 10.00 H new ATOM 0 HG3 LYS A 78 50.576 11.261 8.561 1.00 10.00 H new ATOM 0 HD2 LYS A 78 50.805 9.608 6.515 1.00 10.00 H new ATOM 0 HD3 LYS A 78 49.201 9.073 6.975 1.00 10.00 H new ATOM 0 HE2 LYS A 78 50.012 11.895 6.160 1.00 10.00 H new ATOM 0 HE3 LYS A 78 49.037 10.777 5.228 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 47.431 12.064 6.144 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 47.528 10.877 7.355 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 48.301 12.373 7.569 1.00 10.00 H new ATOM 1196 N ASP A 79 50.670 11.560 11.415 1.00 10.00 N ATOM 1197 CA ASP A 79 50.767 12.938 11.913 1.00 10.00 C ATOM 1198 C ASP A 79 51.461 13.022 13.289 1.00 10.00 C ATOM 1199 O ASP A 79 52.140 14.006 13.587 1.00 10.00 O ATOM 1200 CB ASP A 79 49.352 13.532 11.978 1.00 10.00 C ATOM 1201 CG ASP A 79 49.374 15.049 12.229 1.00 10.00 C ATOM 1202 OD1 ASP A 79 49.786 15.806 11.317 1.00 10.00 O ATOM 1203 OD2 ASP A 79 48.952 15.493 13.323 1.00 10.00 O ATOM 0 H ASP A 79 49.711 11.213 11.386 1.00 10.00 H new ATOM 0 HA ASP A 79 51.388 13.513 11.226 1.00 10.00 H new ATOM 0 HB2 ASP A 79 48.830 13.327 11.044 1.00 10.00 H new ATOM 0 HB3 ASP A 79 48.789 13.041 12.772 1.00 10.00 H new ATOM 1208 N ILE A 80 51.332 11.969 14.107 1.00 10.00 N ATOM 1209 CA ILE A 80 52.011 11.815 15.404 1.00 10.00 C ATOM 1210 C ILE A 80 53.415 11.224 15.212 1.00 10.00 C ATOM 1211 O ILE A 80 54.382 11.699 15.807 1.00 10.00 O ATOM 1212 CB ILE A 80 51.170 10.922 16.352 1.00 10.00 C ATOM 1213 CG1 ILE A 80 49.681 11.338 16.449 1.00 10.00 C ATOM 1214 CG2 ILE A 80 51.799 10.878 17.756 1.00 10.00 C ATOM 1215 CD1 ILE A 80 49.423 12.781 16.906 1.00 10.00 C ATOM 0 H ILE A 80 50.734 11.175 13.879 1.00 10.00 H new ATOM 0 HA ILE A 80 52.114 12.801 15.858 1.00 10.00 H new ATOM 0 HB ILE A 80 51.182 9.926 15.909 1.00 10.00 H new ATOM 0 HG12 ILE A 80 49.219 11.197 15.472 1.00 10.00 H new ATOM 0 HG13 ILE A 80 49.178 10.662 17.140 1.00 10.00 H new ATOM 0 HG21 ILE A 80 51.194 10.246 18.406 1.00 10.00 H new ATOM 0 HG22 ILE A 80 52.808 10.470 17.690 1.00 10.00 H new ATOM 0 HG23 ILE A 80 51.842 11.886 18.167 1.00 10.00 H new ATOM 0 HD11 ILE A 80 48.349 12.966 16.939 1.00 10.00 H new ATOM 0 HD12 ILE A 80 49.847 12.930 17.899 1.00 10.00 H new ATOM 0 HD13 ILE A 80 49.889 13.473 16.205 1.00 10.00 H new ATOM 1227 N ASP A 81 53.540 10.218 14.341 1.00 10.00 N ATOM 1228 CA ASP A 81 54.800 9.539 14.008 1.00 10.00 C ATOM 1229 C ASP A 81 55.893 10.516 13.541 1.00 10.00 C ATOM 1230 O ASP A 81 57.035 10.439 13.998 1.00 10.00 O ATOM 1231 CB ASP A 81 54.530 8.470 12.944 1.00 10.00 C ATOM 1232 CG ASP A 81 55.780 7.623 12.667 1.00 10.00 C ATOM 1233 OD1 ASP A 81 56.032 6.659 13.429 1.00 10.00 O ATOM 1234 OD2 ASP A 81 56.495 7.906 11.677 1.00 10.00 O ATOM 0 H ASP A 81 52.742 9.840 13.831 1.00 10.00 H new ATOM 0 HA ASP A 81 55.180 9.069 14.915 1.00 10.00 H new ATOM 0 HB2 ASP A 81 53.717 7.823 13.275 1.00 10.00 H new ATOM 0 HB3 ASP A 81 54.202 8.948 12.021 1.00 10.00 H new ATOM 1239 N SER A 82 55.504 11.503 12.726 1.00 10.00 N ATOM 1240 CA SER A 82 56.354 12.601 12.226 1.00 10.00 C ATOM 1241 C SER A 82 56.972 13.496 13.322 1.00 10.00 C ATOM 1242 O SER A 82 57.830 14.330 13.018 1.00 10.00 O ATOM 1243 CB SER A 82 55.555 13.485 11.257 1.00 10.00 C ATOM 1244 OG SER A 82 55.076 12.750 10.139 1.00 10.00 O ATOM 0 H SER A 82 54.547 11.565 12.379 1.00 10.00 H new ATOM 0 HA SER A 82 57.188 12.108 11.726 1.00 10.00 H new ATOM 0 HB2 SER A 82 54.713 13.932 11.785 1.00 10.00 H new ATOM 0 HB3 SER A 82 56.185 14.304 10.910 1.00 10.00 H new ATOM 0 HG SER A 82 54.307 12.206 10.410 1.00 10.00 H new ATOM 1250 N SER A 83 56.571 13.321 14.587 1.00 10.00 N ATOM 1251 CA SER A 83 57.023 14.093 15.758 1.00 10.00 C ATOM 1252 C SER A 83 57.640 13.217 16.865 1.00 10.00 C ATOM 1253 O SER A 83 57.933 13.717 17.954 1.00 10.00 O ATOM 1254 CB SER A 83 55.854 14.920 16.319 1.00 10.00 C ATOM 1255 OG SER A 83 55.352 15.820 15.339 1.00 10.00 O ATOM 0 H SER A 83 55.890 12.604 14.837 1.00 10.00 H new ATOM 0 HA SER A 83 57.818 14.755 15.414 1.00 10.00 H new ATOM 0 HB2 SER A 83 55.057 14.253 16.648 1.00 10.00 H new ATOM 0 HB3 SER A 83 56.185 15.478 17.195 1.00 10.00 H new ATOM 0 HG SER A 83 54.608 16.334 15.717 1.00 10.00 H new