USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=14 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 33 ASN : amide:sc= 0.0426 X(o=0.043,f=0.0021) USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 40 GLN : amide:sc= 0.34 X(o=-1.5,f=-1.7) USER MOD Set 2.2: A 56 TYR OH : rot 180:sc= 0.321 USER MOD Set 2.3: A 60 MET CE :methyl -152:sc= -2.21 (180deg=-4.09!) USER MOD Set 3.1: A 34 LYS NZ :NH3+ -163:sc= 1.13 (180deg=0) USER MOD Set 3.2: A 37 GLN : amide:sc= 0.965 K(o=2.1,f=-3.1) USER MOD Single : A 35 GLN : amide:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 44 THR OG1 : rot 71:sc= 1.24 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.63 K(o=-1.6,f=-4.4!) 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= -0.48 X(o=-0.48,f=-0.19) USER MOD Single : A 57 GLN : amide:sc= -0.0733 X(o=-0.073,f=-0.45) USER MOD Single : A 58 MET CE :methyl 168:sc= 0 (180deg=-0.126) USER MOD Single : A 61 SER OG : 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 173:sc=-0.00218 (180deg=-0.0501) USER MOD Single : A 78 LYS NZ :NH3+ -169:sc= 1.17 (180deg=0.987) USER MOD Single : A 82 SER OG : rot 74:sc= 1.13 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 461 N LEU A 32 49.732 -11.946 15.986 1.00 10.00 N ATOM 462 CA LEU A 32 49.054 -12.660 14.904 1.00 10.00 C ATOM 463 C LEU A 32 50.047 -13.073 13.806 1.00 10.00 C ATOM 464 O LEU A 32 49.945 -14.155 13.233 1.00 10.00 O ATOM 465 CB LEU A 32 47.948 -11.727 14.376 1.00 10.00 C ATOM 466 CG LEU A 32 46.638 -12.436 13.978 1.00 10.00 C ATOM 467 CD1 LEU A 32 45.617 -11.382 13.548 1.00 10.00 C ATOM 468 CD2 LEU A 32 46.826 -13.444 12.848 1.00 10.00 C ATOM 0 HA LEU A 32 48.613 -13.590 15.262 1.00 10.00 H new ATOM 0 HB2 LEU A 32 47.724 -10.983 15.141 1.00 10.00 H new ATOM 0 HB3 LEU A 32 48.330 -11.188 13.509 1.00 10.00 H new ATOM 0 HG LEU A 32 46.290 -12.993 14.848 1.00 10.00 H new ATOM 0 HD11 LEU A 32 44.686 -11.872 13.264 1.00 10.00 H new ATOM 0 HD12 LEU A 32 45.429 -10.698 14.376 1.00 10.00 H new ATOM 0 HD13 LEU A 32 46.007 -10.823 12.697 1.00 10.00 H new ATOM 0 HD21 LEU A 32 45.869 -13.910 12.613 1.00 10.00 H new ATOM 0 HD22 LEU A 32 47.207 -12.933 11.964 1.00 10.00 H new ATOM 0 HD23 LEU A 32 47.536 -14.210 13.159 1.00 10.00 H new ATOM 480 N ASN A 33 51.069 -12.250 13.559 1.00 10.00 N ATOM 481 CA ASN A 33 52.155 -12.595 12.634 1.00 10.00 C ATOM 482 C ASN A 33 52.939 -13.838 13.095 1.00 10.00 C ATOM 483 O ASN A 33 53.319 -14.666 12.271 1.00 10.00 O ATOM 484 CB ASN A 33 53.079 -11.385 12.440 1.00 10.00 C ATOM 485 CG ASN A 33 54.152 -11.652 11.395 1.00 10.00 C ATOM 486 OD1 ASN A 33 55.324 -11.813 11.703 1.00 10.00 O ATOM 487 ND2 ASN A 33 53.791 -11.724 10.133 1.00 10.00 N ATOM 0 H ASN A 33 51.168 -11.331 13.991 1.00 10.00 H new ATOM 0 HA ASN A 33 51.711 -12.854 11.673 1.00 10.00 H new ATOM 0 HB2 ASN A 33 52.487 -10.521 12.140 1.00 10.00 H new ATOM 0 HB3 ASN A 33 53.552 -11.133 13.389 1.00 10.00 H new ATOM 0 HD21 ASN A 33 54.488 -11.914 9.413 1.00 10.00 H new ATOM 0 HD22 ASN A 33 52.814 -11.590 9.874 1.00 10.00 H new ATOM 494 N LYS A 34 53.125 -14.013 14.409 1.00 10.00 N ATOM 495 CA LYS A 34 53.753 -15.206 15.001 1.00 10.00 C ATOM 496 C LYS A 34 52.873 -16.453 14.869 1.00 10.00 C ATOM 497 O LYS A 34 53.381 -17.523 14.543 1.00 10.00 O ATOM 498 CB LYS A 34 54.136 -14.918 16.465 1.00 10.00 C ATOM 499 CG LYS A 34 55.032 -15.995 17.105 1.00 10.00 C ATOM 500 CD LYS A 34 56.424 -16.073 16.456 1.00 10.00 C ATOM 501 CE LYS A 34 57.277 -17.158 17.120 1.00 10.00 C ATOM 502 NZ LYS A 34 58.629 -17.221 16.509 1.00 10.00 N ATOM 0 H LYS A 34 52.840 -13.322 15.103 1.00 10.00 H new ATOM 0 HA LYS A 34 54.662 -15.427 14.442 1.00 10.00 H new ATOM 0 HB2 LYS A 34 54.650 -13.958 16.513 1.00 10.00 H new ATOM 0 HB3 LYS A 34 53.225 -14.821 17.055 1.00 10.00 H new ATOM 0 HG2 LYS A 34 55.143 -15.784 18.169 1.00 10.00 H new ATOM 0 HG3 LYS A 34 54.542 -16.965 17.022 1.00 10.00 H new ATOM 0 HD2 LYS A 34 56.322 -16.286 15.392 1.00 10.00 H new ATOM 0 HD3 LYS A 34 56.924 -15.108 16.542 1.00 10.00 H new ATOM 0 HE2 LYS A 34 57.366 -16.954 18.187 1.00 10.00 H new ATOM 0 HE3 LYS A 34 56.784 -18.125 17.021 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 59.081 -18.124 16.759 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 58.546 -17.150 15.475 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 59.208 -16.434 16.865 1.00 10.00 H new ATOM 516 N GLN A 35 51.556 -16.306 15.026 1.00 10.00 N ATOM 517 CA GLN A 35 50.576 -17.366 14.720 1.00 10.00 C ATOM 518 C GLN A 35 50.629 -17.788 13.245 1.00 10.00 C ATOM 519 O GLN A 35 50.575 -18.974 12.920 1.00 10.00 O ATOM 520 CB GLN A 35 49.156 -16.902 15.087 1.00 10.00 C ATOM 521 CG GLN A 35 48.952 -16.840 16.602 1.00 10.00 C ATOM 522 CD GLN A 35 47.683 -16.088 16.989 1.00 10.00 C ATOM 523 OE1 GLN A 35 46.566 -16.578 16.873 1.00 10.00 O ATOM 524 NE2 GLN A 35 47.809 -14.872 17.472 1.00 10.00 N ATOM 0 H GLN A 35 51.131 -15.445 15.371 1.00 10.00 H new ATOM 0 HA GLN A 35 50.838 -18.236 15.322 1.00 10.00 H new ATOM 0 HB2 GLN A 35 48.972 -15.918 14.655 1.00 10.00 H new ATOM 0 HB3 GLN A 35 48.427 -17.584 14.650 1.00 10.00 H new ATOM 0 HG2 GLN A 35 48.906 -17.853 17.001 1.00 10.00 H new ATOM 0 HG3 GLN A 35 49.813 -16.355 17.062 1.00 10.00 H new ATOM 0 HE21 GLN A 35 48.735 -14.456 17.572 1.00 10.00 H new ATOM 0 HE22 GLN A 35 46.981 -14.344 17.747 1.00 10.00 H new ATOM 533 N LEU A 36 50.794 -16.821 12.345 1.00 10.00 N ATOM 534 CA LEU A 36 50.950 -17.061 10.911 1.00 10.00 C ATOM 535 C LEU A 36 52.300 -17.690 10.549 1.00 10.00 C ATOM 536 O LEU A 36 52.346 -18.572 9.697 1.00 10.00 O ATOM 537 CB LEU A 36 50.699 -15.753 10.180 1.00 10.00 C ATOM 538 CG LEU A 36 50.582 -15.957 8.664 1.00 10.00 C ATOM 539 CD1 LEU A 36 49.424 -16.836 8.190 1.00 10.00 C ATOM 540 CD2 LEU A 36 50.329 -14.573 8.110 1.00 10.00 C ATOM 0 H LEU A 36 50.824 -15.833 12.595 1.00 10.00 H new ATOM 0 HA LEU A 36 50.216 -17.802 10.594 1.00 10.00 H new ATOM 0 HB2 LEU A 36 49.783 -15.297 10.556 1.00 10.00 H new ATOM 0 HB3 LEU A 36 51.512 -15.058 10.391 1.00 10.00 H new ATOM 0 HG LEU A 36 51.488 -16.463 8.331 1.00 10.00 H new ATOM 0 HD11 LEU A 36 49.443 -16.908 7.103 1.00 10.00 H new ATOM 0 HD12 LEU A 36 49.523 -17.832 8.621 1.00 10.00 H new ATOM 0 HD13 LEU A 36 48.479 -16.396 8.508 1.00 10.00 H new ATOM 0 HD21 LEU A 36 50.232 -14.627 7.026 1.00 10.00 H new ATOM 0 HD22 LEU A 36 49.409 -14.173 8.537 1.00 10.00 H new ATOM 0 HD23 LEU A 36 51.163 -13.920 8.368 1.00 10.00 H new ATOM 552 N GLN A 37 53.385 -17.305 11.221 1.00 10.00 N ATOM 553 CA GLN A 37 54.692 -17.954 11.091 1.00 10.00 C ATOM 554 C GLN A 37 54.661 -19.401 11.604 1.00 10.00 C ATOM 555 O GLN A 37 55.265 -20.281 10.997 1.00 10.00 O ATOM 556 CB GLN A 37 55.740 -17.112 11.843 1.00 10.00 C ATOM 557 CG GLN A 37 57.175 -17.640 11.690 1.00 10.00 C ATOM 558 CD GLN A 37 58.166 -16.800 12.492 1.00 10.00 C ATOM 559 OE1 GLN A 37 58.405 -17.030 13.672 1.00 10.00 O ATOM 560 NE2 GLN A 37 58.772 -15.790 11.904 1.00 10.00 N ATOM 0 H GLN A 37 53.382 -16.525 11.879 1.00 10.00 H new ATOM 0 HA GLN A 37 54.961 -18.009 10.036 1.00 10.00 H new ATOM 0 HB2 GLN A 37 55.698 -16.085 11.479 1.00 10.00 H new ATOM 0 HB3 GLN A 37 55.482 -17.086 12.902 1.00 10.00 H new ATOM 0 HG2 GLN A 37 57.220 -18.677 12.024 1.00 10.00 H new ATOM 0 HG3 GLN A 37 57.457 -17.632 10.637 1.00 10.00 H new ATOM 0 HE21 GLN A 37 58.585 -15.584 10.923 1.00 10.00 H new ATOM 0 HE22 GLN A 37 59.429 -15.213 12.430 1.00 10.00 H new ATOM 569 N ASP A 38 53.909 -19.679 12.671 1.00 10.00 N ATOM 570 CA ASP A 38 53.644 -21.046 13.137 1.00 10.00 C ATOM 571 C ASP A 38 52.836 -21.854 12.108 1.00 10.00 C ATOM 572 O ASP A 38 53.154 -23.017 11.848 1.00 10.00 O ATOM 573 CB ASP A 38 52.955 -21.012 14.507 1.00 10.00 C ATOM 574 CG ASP A 38 52.797 -22.424 15.095 1.00 10.00 C ATOM 575 OD1 ASP A 38 53.802 -22.988 15.592 1.00 10.00 O ATOM 576 OD2 ASP A 38 51.666 -22.967 15.079 1.00 10.00 O ATOM 0 H ASP A 38 53.463 -18.960 13.241 1.00 10.00 H new ATOM 0 HA ASP A 38 54.599 -21.560 13.249 1.00 10.00 H new ATOM 0 HB2 ASP A 38 53.536 -20.395 15.192 1.00 10.00 H new ATOM 0 HB3 ASP A 38 51.975 -20.545 14.411 1.00 10.00 H new ATOM 581 N ALA A 39 51.868 -21.220 11.434 1.00 10.00 N ATOM 582 CA ALA A 39 51.189 -21.827 10.287 1.00 10.00 C ATOM 583 C ALA A 39 52.167 -22.138 9.156 1.00 10.00 C ATOM 584 O ALA A 39 52.175 -23.245 8.626 1.00 10.00 O ATOM 585 CB ALA A 39 50.046 -20.944 9.756 1.00 10.00 C ATOM 0 H ALA A 39 51.538 -20.283 11.666 1.00 10.00 H new ATOM 0 HA ALA A 39 50.759 -22.761 10.647 1.00 10.00 H new ATOM 0 HB1 ALA A 39 49.572 -21.435 8.906 1.00 10.00 H new ATOM 0 HB2 ALA A 39 49.309 -20.791 10.544 1.00 10.00 H new ATOM 0 HB3 ALA A 39 50.447 -19.980 9.441 1.00 10.00 H new ATOM 591 N GLN A 40 53.027 -21.173 8.831 1.00 10.00 N ATOM 592 CA GLN A 40 54.044 -21.270 7.790 1.00 10.00 C ATOM 593 C GLN A 40 55.126 -22.299 8.130 1.00 10.00 C ATOM 594 O GLN A 40 55.765 -22.798 7.215 1.00 10.00 O ATOM 595 CB GLN A 40 54.666 -19.878 7.564 1.00 10.00 C ATOM 596 CG GLN A 40 55.303 -19.738 6.171 1.00 10.00 C ATOM 597 CD GLN A 40 55.804 -18.317 5.913 1.00 10.00 C ATOM 598 OE1 GLN A 40 56.663 -17.795 6.610 1.00 10.00 O ATOM 599 NE2 GLN A 40 55.295 -17.628 4.910 1.00 10.00 N ATOM 0 H GLN A 40 53.033 -20.270 9.305 1.00 10.00 H new ATOM 0 HA GLN A 40 53.565 -21.616 6.874 1.00 10.00 H new ATOM 0 HB2 GLN A 40 53.897 -19.115 7.687 1.00 10.00 H new ATOM 0 HB3 GLN A 40 55.423 -19.693 8.326 1.00 10.00 H new ATOM 0 HG2 GLN A 40 56.134 -20.438 6.080 1.00 10.00 H new ATOM 0 HG3 GLN A 40 54.572 -20.009 5.409 1.00 10.00 H new ATOM 0 HE21 GLN A 40 54.578 -18.045 4.317 1.00 10.00 H new ATOM 0 HE22 GLN A 40 55.619 -16.678 4.728 1.00 10.00 H new ATOM 608 N ALA A 41 55.350 -22.635 9.403 1.00 10.00 N ATOM 609 CA ALA A 41 56.200 -23.757 9.821 1.00 10.00 C ATOM 610 C ALA A 41 55.509 -25.124 9.746 1.00 10.00 C ATOM 611 O ALA A 41 56.153 -26.082 9.321 1.00 10.00 O ATOM 612 CB ALA A 41 56.802 -23.478 11.191 1.00 10.00 C ATOM 0 H ALA A 41 54.940 -22.127 10.187 1.00 10.00 H new ATOM 0 HA ALA A 41 57.011 -23.829 9.096 1.00 10.00 H new ATOM 0 HB1 ALA A 41 57.430 -24.317 11.490 1.00 10.00 H new ATOM 0 HB2 ALA A 41 57.405 -22.571 11.146 1.00 10.00 H new ATOM 0 HB3 ALA A 41 56.002 -23.346 11.920 1.00 10.00 H new ATOM 618 N ASN A 42 54.215 -25.241 10.069 1.00 10.00 N ATOM 619 CA ASN A 42 53.475 -26.483 9.770 1.00 10.00 C ATOM 620 C ASN A 42 53.457 -26.681 8.242 1.00 10.00 C ATOM 621 O ASN A 42 53.622 -27.788 7.728 1.00 10.00 O ATOM 622 CB ASN A 42 52.033 -26.449 10.329 1.00 10.00 C ATOM 623 CG ASN A 42 51.289 -27.771 10.188 1.00 10.00 C ATOM 624 OD1 ASN A 42 51.856 -28.838 10.007 1.00 10.00 O ATOM 625 ND2 ASN A 42 49.981 -27.748 10.307 1.00 10.00 N ATOM 0 H ASN A 42 53.666 -24.513 10.526 1.00 10.00 H new ATOM 0 HA ASN A 42 53.978 -27.319 10.256 1.00 10.00 H new ATOM 0 HB2 ASN A 42 52.068 -26.173 11.383 1.00 10.00 H new ATOM 0 HB3 ASN A 42 51.472 -25.670 9.814 1.00 10.00 H new ATOM 0 HD21 ASN A 42 49.448 -28.616 10.248 1.00 10.00 H new ATOM 0 HD22 ASN A 42 49.498 -26.862 10.458 1.00 10.00 H new ATOM 632 N LEU A 43 53.355 -25.567 7.510 1.00 10.00 N ATOM 633 CA LEU A 43 53.534 -25.532 6.081 1.00 10.00 C ATOM 634 C LEU A 43 54.978 -25.790 5.673 1.00 10.00 C ATOM 635 O LEU A 43 55.211 -26.489 4.712 1.00 10.00 O ATOM 636 CB LEU A 43 52.993 -24.197 5.539 1.00 10.00 C ATOM 637 CG LEU A 43 52.435 -24.380 4.139 1.00 10.00 C ATOM 638 CD1 LEU A 43 51.162 -25.200 4.252 1.00 10.00 C ATOM 639 CD2 LEU A 43 52.037 -23.080 3.466 1.00 10.00 C ATOM 0 H LEU A 43 53.141 -24.655 7.915 1.00 10.00 H new ATOM 0 HA LEU A 43 52.964 -26.345 5.632 1.00 10.00 H new ATOM 0 HB2 LEU A 43 52.214 -23.818 6.201 1.00 10.00 H new ATOM 0 HB3 LEU A 43 53.790 -23.453 5.525 1.00 10.00 H new ATOM 0 HG LEU A 43 53.221 -24.849 3.546 1.00 10.00 H new ATOM 0 HD11 LEU A 43 50.736 -25.349 3.260 1.00 10.00 H new ATOM 0 HD12 LEU A 43 51.391 -26.168 4.698 1.00 10.00 H new ATOM 0 HD13 LEU A 43 50.444 -24.672 4.880 1.00 10.00 H new ATOM 0 HD21 LEU A 43 51.648 -23.290 2.470 1.00 10.00 H new ATOM 0 HD22 LEU A 43 51.269 -22.584 4.059 1.00 10.00 H new ATOM 0 HD23 LEU A 43 52.909 -22.430 3.385 1.00 10.00 H new ATOM 651 N THR A 44 55.981 -25.342 6.409 1.00 10.00 N ATOM 652 CA THR A 44 57.374 -25.640 6.054 1.00 10.00 C ATOM 653 C THR A 44 57.659 -27.141 6.158 1.00 10.00 C ATOM 654 O THR A 44 58.363 -27.714 5.323 1.00 10.00 O ATOM 655 CB THR A 44 58.371 -24.862 6.915 1.00 10.00 C ATOM 656 OG1 THR A 44 58.338 -23.488 6.598 1.00 10.00 O ATOM 657 CG2 THR A 44 59.785 -25.351 6.670 1.00 10.00 C ATOM 0 H THR A 44 55.868 -24.775 7.250 1.00 10.00 H new ATOM 0 HA THR A 44 57.506 -25.322 5.020 1.00 10.00 H new ATOM 0 HB THR A 44 58.088 -25.019 7.956 1.00 10.00 H new ATOM 0 HG1 THR A 44 57.496 -23.099 6.914 1.00 10.00 H new ATOM 0 HG21 THR A 44 60.479 -24.785 7.292 1.00 10.00 H new ATOM 0 HG22 THR A 44 59.853 -26.409 6.922 1.00 10.00 H new ATOM 0 HG23 THR A 44 60.042 -25.211 5.620 1.00 10.00 H new ATOM 665 N LYS A 45 57.084 -27.788 7.177 1.00 10.00 N ATOM 666 CA LYS A 45 57.145 -29.238 7.381 1.00 10.00 C ATOM 667 C LYS A 45 56.526 -30.025 6.219 1.00 10.00 C ATOM 668 O LYS A 45 57.039 -31.090 5.871 1.00 10.00 O ATOM 669 CB LYS A 45 56.483 -29.570 8.726 1.00 10.00 C ATOM 670 CG LYS A 45 57.348 -29.183 9.936 1.00 10.00 C ATOM 671 CD LYS A 45 56.640 -29.432 11.280 1.00 10.00 C ATOM 672 CE LYS A 45 56.242 -30.894 11.544 1.00 10.00 C ATOM 673 NZ LYS A 45 57.422 -31.788 11.688 1.00 10.00 N ATOM 0 H LYS A 45 56.550 -27.306 7.900 1.00 10.00 H new ATOM 0 HA LYS A 45 58.190 -29.548 7.406 1.00 10.00 H new ATOM 0 HB2 LYS A 45 55.526 -29.052 8.791 1.00 10.00 H new ATOM 0 HB3 LYS A 45 56.271 -30.638 8.766 1.00 10.00 H new ATOM 0 HG2 LYS A 45 58.277 -29.752 9.909 1.00 10.00 H new ATOM 0 HG3 LYS A 45 57.617 -28.129 9.862 1.00 10.00 H new ATOM 0 HD2 LYS A 45 57.294 -29.098 12.085 1.00 10.00 H new ATOM 0 HD3 LYS A 45 55.743 -28.814 11.321 1.00 10.00 H new ATOM 0 HE2 LYS A 45 55.639 -30.945 12.450 1.00 10.00 H new ATOM 0 HE3 LYS A 45 55.618 -31.251 10.725 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 57.101 -32.761 11.864 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 57.986 -31.762 10.814 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 58.006 -31.466 12.486 1.00 10.00 H new ATOM 687 N ASN A 46 55.482 -29.488 5.584 1.00 10.00 N ATOM 688 CA ASN A 46 54.907 -29.983 4.344 1.00 10.00 C ATOM 689 C ASN A 46 54.238 -28.858 3.516 1.00 10.00 C ATOM 690 O ASN A 46 53.074 -28.534 3.769 1.00 10.00 O ATOM 691 CB ASN A 46 53.989 -31.150 4.689 1.00 10.00 C ATOM 692 CG ASN A 46 53.519 -31.913 3.451 1.00 10.00 C ATOM 693 OD1 ASN A 46 53.514 -31.425 2.329 1.00 10.00 O ATOM 694 ND2 ASN A 46 53.154 -33.166 3.607 1.00 10.00 N ATOM 0 H ASN A 46 54.999 -28.663 5.939 1.00 10.00 H new ATOM 0 HA ASN A 46 55.688 -30.351 3.678 1.00 10.00 H new ATOM 0 HB2 ASN A 46 54.513 -31.835 5.356 1.00 10.00 H new ATOM 0 HB3 ASN A 46 53.121 -30.777 5.233 1.00 10.00 H new ATOM 0 HD21 ASN A 46 52.871 -33.719 2.798 1.00 10.00 H new ATOM 0 HD22 ASN A 46 53.154 -33.585 4.537 1.00 10.00 H new ATOM 701 N PRO A 47 54.979 -28.224 2.573 1.00 10.00 N ATOM 702 CA PRO A 47 54.563 -27.008 1.861 1.00 10.00 C ATOM 703 C PRO A 47 53.172 -26.982 1.231 1.00 10.00 C ATOM 704 O PRO A 47 52.615 -25.893 1.077 1.00 10.00 O ATOM 705 CB PRO A 47 55.655 -26.748 0.843 1.00 10.00 C ATOM 706 CG PRO A 47 56.917 -27.219 1.559 1.00 10.00 C ATOM 707 CD PRO A 47 56.430 -28.357 2.454 1.00 10.00 C ATOM 0 HA PRO A 47 54.448 -26.218 2.603 1.00 10.00 H new ATOM 0 HB2 PRO A 47 55.485 -27.302 -0.080 1.00 10.00 H new ATOM 0 HB3 PRO A 47 55.714 -25.693 0.576 1.00 10.00 H new ATOM 0 HG2 PRO A 47 57.673 -27.562 0.852 1.00 10.00 H new ATOM 0 HG3 PRO A 47 57.368 -26.417 2.143 1.00 10.00 H new ATOM 0 HD2 PRO A 47 56.694 -29.324 2.025 1.00 10.00 H new ATOM 0 HD3 PRO A 47 56.903 -28.304 3.435 1.00 10.00 H new ATOM 715 N SER A 48 52.580 -28.134 0.908 1.00 10.00 N ATOM 716 CA SER A 48 51.200 -28.235 0.477 1.00 10.00 C ATOM 717 C SER A 48 50.347 -29.286 1.186 1.00 10.00 C ATOM 718 O SER A 48 49.369 -29.796 0.633 1.00 10.00 O ATOM 719 CB SER A 48 51.199 -28.307 -1.035 1.00 10.00 C ATOM 720 OG SER A 48 51.728 -29.538 -1.513 1.00 10.00 O ATOM 0 H SER A 48 53.061 -29.033 0.942 1.00 10.00 H new ATOM 0 HA SER A 48 50.670 -27.338 0.797 1.00 10.00 H new ATOM 0 HB2 SER A 48 50.180 -28.184 -1.403 1.00 10.00 H new ATOM 0 HB3 SER A 48 51.785 -27.481 -1.437 1.00 10.00 H new ATOM 0 HG SER A 48 51.708 -29.544 -2.493 1.00 10.00 H new ATOM 726 N ASP A 49 50.700 -29.589 2.439 1.00 10.00 N ATOM 727 CA ASP A 49 49.840 -30.372 3.332 1.00 10.00 C ATOM 728 C ASP A 49 48.540 -29.570 3.490 1.00 10.00 C ATOM 729 O ASP A 49 48.585 -28.381 3.808 1.00 10.00 O ATOM 730 CB ASP A 49 50.535 -30.657 4.669 1.00 10.00 C ATOM 731 CG ASP A 49 49.594 -31.216 5.754 1.00 10.00 C ATOM 732 OD1 ASP A 49 48.697 -30.487 6.233 1.00 10.00 O ATOM 733 OD2 ASP A 49 49.742 -32.408 6.117 1.00 10.00 O ATOM 0 H ASP A 49 51.583 -29.301 2.861 1.00 10.00 H new ATOM 0 HA ASP A 49 49.622 -31.357 2.918 1.00 10.00 H new ATOM 0 HB2 ASP A 49 51.345 -31.368 4.502 1.00 10.00 H new ATOM 0 HB3 ASP A 49 50.989 -29.736 5.035 1.00 10.00 H new ATOM 738 N PRO A 50 47.371 -30.169 3.237 1.00 10.00 N ATOM 739 CA PRO A 50 46.144 -29.409 3.130 1.00 10.00 C ATOM 740 C PRO A 50 45.617 -28.826 4.432 1.00 10.00 C ATOM 741 O PRO A 50 45.010 -27.767 4.379 1.00 10.00 O ATOM 742 CB PRO A 50 45.143 -30.354 2.505 1.00 10.00 C ATOM 743 CG PRO A 50 45.644 -31.751 2.886 1.00 10.00 C ATOM 744 CD PRO A 50 47.157 -31.575 2.965 1.00 10.00 C ATOM 0 HA PRO A 50 46.331 -28.518 2.530 1.00 10.00 H new ATOM 0 HB2 PRO A 50 44.137 -30.176 2.886 1.00 10.00 H new ATOM 0 HB3 PRO A 50 45.101 -30.229 1.423 1.00 10.00 H new ATOM 0 HG2 PRO A 50 45.228 -32.081 3.838 1.00 10.00 H new ATOM 0 HG3 PRO A 50 45.364 -32.495 2.140 1.00 10.00 H new ATOM 0 HD2 PRO A 50 47.583 -32.196 3.753 1.00 10.00 H new ATOM 0 HD3 PRO A 50 47.635 -31.871 2.031 1.00 10.00 H new ATOM 752 N THR A 51 45.851 -29.443 5.589 1.00 10.00 N ATOM 753 CA THR A 51 45.551 -28.827 6.892 1.00 10.00 C ATOM 754 C THR A 51 46.532 -27.713 7.202 1.00 10.00 C ATOM 755 O THR A 51 46.101 -26.656 7.640 1.00 10.00 O ATOM 756 CB THR A 51 45.606 -29.885 7.988 1.00 10.00 C ATOM 757 OG1 THR A 51 44.407 -30.636 7.977 1.00 10.00 O ATOM 758 CG2 THR A 51 45.835 -29.339 9.400 1.00 10.00 C ATOM 0 H THR A 51 46.251 -30.379 5.656 1.00 10.00 H new ATOM 0 HA THR A 51 44.549 -28.400 6.849 1.00 10.00 H new ATOM 0 HB THR A 51 46.475 -30.501 7.757 1.00 10.00 H new ATOM 0 HG1 THR A 51 44.442 -31.318 8.680 1.00 10.00 H new ATOM 0 HG21 THR A 51 45.859 -30.165 10.110 1.00 10.00 H new ATOM 0 HG22 THR A 51 46.784 -28.804 9.434 1.00 10.00 H new ATOM 0 HG23 THR A 51 45.025 -28.658 9.663 1.00 10.00 H new ATOM 766 N ALA A 52 47.826 -27.890 6.948 1.00 10.00 N ATOM 767 CA ALA A 52 48.819 -26.827 7.060 1.00 10.00 C ATOM 768 C ALA A 52 48.465 -25.623 6.196 1.00 10.00 C ATOM 769 O ALA A 52 48.559 -24.482 6.647 1.00 10.00 O ATOM 770 CB ALA A 52 50.175 -27.444 6.681 1.00 10.00 C ATOM 0 H ALA A 52 48.218 -28.785 6.656 1.00 10.00 H new ATOM 0 HA ALA A 52 48.854 -26.439 8.078 1.00 10.00 H new ATOM 0 HB1 ALA A 52 50.953 -26.684 6.750 1.00 10.00 H new ATOM 0 HB2 ALA A 52 50.406 -28.262 7.363 1.00 10.00 H new ATOM 0 HB3 ALA A 52 50.129 -27.824 5.661 1.00 10.00 H new ATOM 776 N LEU A 53 48.018 -25.878 4.975 1.00 10.00 N ATOM 777 CA LEU A 53 47.699 -24.853 3.999 1.00 10.00 C ATOM 778 C LEU A 53 46.323 -24.243 4.270 1.00 10.00 C ATOM 779 O LEU A 53 46.162 -23.035 4.154 1.00 10.00 O ATOM 780 CB LEU A 53 47.868 -25.513 2.626 1.00 10.00 C ATOM 781 CG LEU A 53 48.056 -24.612 1.397 1.00 10.00 C ATOM 782 CD1 LEU A 53 48.601 -23.226 1.697 1.00 10.00 C ATOM 783 CD2 LEU A 53 49.089 -25.303 0.512 1.00 10.00 C ATOM 0 H LEU A 53 47.864 -26.826 4.630 1.00 10.00 H new ATOM 0 HA LEU A 53 48.364 -23.991 4.053 1.00 10.00 H new ATOM 0 HB2 LEU A 53 48.728 -26.180 2.683 1.00 10.00 H new ATOM 0 HB3 LEU A 53 46.992 -26.137 2.448 1.00 10.00 H new ATOM 0 HG LEU A 53 47.073 -24.475 0.947 1.00 10.00 H new ATOM 0 HD11 LEU A 53 48.699 -22.665 0.768 1.00 10.00 H new ATOM 0 HD12 LEU A 53 47.918 -22.703 2.366 1.00 10.00 H new ATOM 0 HD13 LEU A 53 49.578 -23.314 2.172 1.00 10.00 H new ATOM 0 HD21 LEU A 53 49.262 -24.703 -0.381 1.00 10.00 H new ATOM 0 HD22 LEU A 53 50.024 -25.414 1.062 1.00 10.00 H new ATOM 0 HD23 LEU A 53 48.720 -26.287 0.222 1.00 10.00 H new ATOM 795 N ALA A 54 45.363 -25.039 4.743 1.00 10.00 N ATOM 796 CA ALA A 54 44.083 -24.566 5.260 1.00 10.00 C ATOM 797 C ALA A 54 44.286 -23.662 6.482 1.00 10.00 C ATOM 798 O ALA A 54 43.665 -22.608 6.597 1.00 10.00 O ATOM 799 CB ALA A 54 43.226 -25.786 5.650 1.00 10.00 C ATOM 0 H ALA A 54 45.459 -26.054 4.777 1.00 10.00 H new ATOM 0 HA ALA A 54 43.580 -23.982 4.489 1.00 10.00 H new ATOM 0 HB1 ALA A 54 42.266 -25.447 6.038 1.00 10.00 H new ATOM 0 HB2 ALA A 54 43.062 -26.411 4.772 1.00 10.00 H new ATOM 0 HB3 ALA A 54 43.743 -26.364 6.416 1.00 10.00 H new ATOM 805 N ASN A 55 45.195 -24.061 7.373 1.00 10.00 N ATOM 806 CA ASN A 55 45.549 -23.350 8.589 1.00 10.00 C ATOM 807 C ASN A 55 46.214 -22.012 8.263 1.00 10.00 C ATOM 808 O ASN A 55 45.743 -20.961 8.687 1.00 10.00 O ATOM 809 CB ASN A 55 46.474 -24.269 9.398 1.00 10.00 C ATOM 810 CG ASN A 55 47.085 -23.651 10.624 1.00 10.00 C ATOM 811 OD1 ASN A 55 46.414 -23.283 11.575 1.00 10.00 O ATOM 812 ND2 ASN A 55 48.392 -23.565 10.631 1.00 10.00 N ATOM 0 H ASN A 55 45.723 -24.926 7.256 1.00 10.00 H new ATOM 0 HA ASN A 55 44.661 -23.111 9.174 1.00 10.00 H new ATOM 0 HB2 ASN A 55 45.909 -25.151 9.700 1.00 10.00 H new ATOM 0 HB3 ASN A 55 47.277 -24.613 8.746 1.00 10.00 H new ATOM 0 HD21 ASN A 55 48.874 -23.183 11.445 1.00 10.00 H new ATOM 0 HD22 ASN A 55 48.928 -23.880 9.823 1.00 10.00 H new ATOM 819 N TYR A 56 47.263 -22.053 7.445 1.00 10.00 N ATOM 820 CA TYR A 56 47.904 -20.855 6.888 1.00 10.00 C ATOM 821 C TYR A 56 46.924 -19.951 6.149 1.00 10.00 C ATOM 822 O TYR A 56 46.900 -18.766 6.445 1.00 10.00 O ATOM 823 CB TYR A 56 49.096 -21.309 6.039 1.00 10.00 C ATOM 824 CG TYR A 56 49.931 -20.289 5.291 1.00 10.00 C ATOM 825 CD1 TYR A 56 50.942 -19.586 5.973 1.00 10.00 C ATOM 826 CD2 TYR A 56 49.851 -20.215 3.886 1.00 10.00 C ATOM 827 CE1 TYR A 56 51.901 -18.851 5.254 1.00 10.00 C ATOM 828 CE2 TYR A 56 50.822 -19.495 3.159 1.00 10.00 C ATOM 829 CZ TYR A 56 51.871 -18.840 3.844 1.00 10.00 C ATOM 830 OH TYR A 56 52.854 -18.190 3.163 1.00 10.00 O ATOM 0 H TYR A 56 47.699 -22.925 7.145 1.00 10.00 H new ATOM 0 HA TYR A 56 48.272 -20.221 7.694 1.00 10.00 H new ATOM 0 HB2 TYR A 56 49.770 -21.859 6.696 1.00 10.00 H new ATOM 0 HB3 TYR A 56 48.717 -22.019 5.304 1.00 10.00 H new ATOM 0 HD1 TYR A 56 50.981 -19.611 7.052 1.00 10.00 H new ATOM 0 HD2 TYR A 56 49.045 -20.710 3.365 1.00 10.00 H new ATOM 0 HE1 TYR A 56 52.661 -18.294 5.782 1.00 10.00 H new ATOM 0 HE2 TYR A 56 50.764 -19.444 2.082 1.00 10.00 H new ATOM 0 HH TYR A 56 52.695 -18.273 2.200 1.00 10.00 H new ATOM 840 N GLN A 57 46.038 -20.471 5.302 1.00 10.00 N ATOM 841 CA GLN A 57 45.029 -19.647 4.621 1.00 10.00 C ATOM 842 C GLN A 57 44.024 -19.013 5.597 1.00 10.00 C ATOM 843 O GLN A 57 43.693 -17.835 5.459 1.00 10.00 O ATOM 844 CB GLN A 57 44.294 -20.454 3.535 1.00 10.00 C ATOM 845 CG GLN A 57 45.131 -20.634 2.254 1.00 10.00 C ATOM 846 CD GLN A 57 45.339 -19.353 1.439 1.00 10.00 C ATOM 847 OE1 GLN A 57 44.715 -18.318 1.642 1.00 10.00 O ATOM 848 NE2 GLN A 57 46.232 -19.366 0.471 1.00 10.00 N ATOM 0 H GLN A 57 45.995 -21.463 5.067 1.00 10.00 H new ATOM 0 HA GLN A 57 45.569 -18.830 4.144 1.00 10.00 H new ATOM 0 HB2 GLN A 57 44.032 -21.434 3.933 1.00 10.00 H new ATOM 0 HB3 GLN A 57 43.360 -19.951 3.285 1.00 10.00 H new ATOM 0 HG2 GLN A 57 46.106 -21.037 2.527 1.00 10.00 H new ATOM 0 HG3 GLN A 57 44.646 -21.376 1.621 1.00 10.00 H new ATOM 0 HE21 GLN A 57 46.765 -20.214 0.281 1.00 10.00 H new ATOM 0 HE22 GLN A 57 46.390 -18.528 -0.088 1.00 10.00 H new ATOM 857 N MET A 58 43.575 -19.751 6.617 1.00 10.00 N ATOM 858 CA MET A 58 42.658 -19.259 7.652 1.00 10.00 C ATOM 859 C MET A 58 43.296 -18.160 8.505 1.00 10.00 C ATOM 860 O MET A 58 42.723 -17.082 8.668 1.00 10.00 O ATOM 861 CB MET A 58 42.215 -20.448 8.521 1.00 10.00 C ATOM 862 CG MET A 58 41.243 -20.059 9.641 1.00 10.00 C ATOM 863 SD MET A 58 40.832 -21.408 10.784 1.00 10.00 S ATOM 864 CE MET A 58 42.403 -21.563 11.686 1.00 10.00 C ATOM 0 H MET A 58 43.843 -20.726 6.750 1.00 10.00 H new ATOM 0 HA MET A 58 41.789 -18.809 7.171 1.00 10.00 H new ATOM 0 HB2 MET A 58 41.743 -21.197 7.885 1.00 10.00 H new ATOM 0 HB3 MET A 58 43.096 -20.914 8.961 1.00 10.00 H new ATOM 0 HG2 MET A 58 41.675 -19.236 10.211 1.00 10.00 H new ATOM 0 HG3 MET A 58 40.322 -19.687 9.192 1.00 10.00 H new ATOM 0 HE1 MET A 58 42.259 -22.195 12.562 1.00 10.00 H new ATOM 0 HE2 MET A 58 43.154 -22.011 11.035 1.00 10.00 H new ATOM 0 HE3 MET A 58 42.740 -20.576 12.002 1.00 10.00 H new ATOM 874 N ILE A 59 44.506 -18.402 9.008 1.00 10.00 N ATOM 875 CA ILE A 59 45.257 -17.452 9.812 1.00 10.00 C ATOM 876 C ILE A 59 45.672 -16.251 8.959 1.00 10.00 C ATOM 877 O ILE A 59 45.674 -15.134 9.460 1.00 10.00 O ATOM 878 CB ILE A 59 46.446 -18.193 10.447 1.00 10.00 C ATOM 879 CG1 ILE A 59 45.962 -19.263 11.455 1.00 10.00 C ATOM 880 CG2 ILE A 59 47.387 -17.248 11.190 1.00 10.00 C ATOM 881 CD1 ILE A 59 47.106 -20.138 11.964 1.00 10.00 C ATOM 0 H ILE A 59 44.997 -19.284 8.862 1.00 10.00 H new ATOM 0 HA ILE A 59 44.647 -17.046 10.619 1.00 10.00 H new ATOM 0 HB ILE A 59 46.981 -18.660 9.620 1.00 10.00 H new ATOM 0 HG12 ILE A 59 45.480 -18.771 12.300 1.00 10.00 H new ATOM 0 HG13 ILE A 59 45.209 -19.892 10.980 1.00 10.00 H new ATOM 0 HG21 ILE A 59 48.210 -17.818 11.621 1.00 10.00 H new ATOM 0 HG22 ILE A 59 47.783 -16.508 10.495 1.00 10.00 H new ATOM 0 HG23 ILE A 59 46.841 -16.742 11.986 1.00 10.00 H new ATOM 0 HD11 ILE A 59 46.716 -20.873 12.668 1.00 10.00 H new ATOM 0 HD12 ILE A 59 47.572 -20.652 11.124 1.00 10.00 H new ATOM 0 HD13 ILE A 59 47.847 -19.514 12.464 1.00 10.00 H new ATOM 893 N MET A 60 45.966 -16.440 7.670 1.00 10.00 N ATOM 894 CA MET A 60 46.299 -15.344 6.754 1.00 10.00 C ATOM 895 C MET A 60 45.097 -14.453 6.425 1.00 10.00 C ATOM 896 O MET A 60 45.230 -13.230 6.367 1.00 10.00 O ATOM 897 CB MET A 60 46.925 -15.887 5.470 1.00 10.00 C ATOM 898 CG MET A 60 47.731 -14.794 4.779 1.00 10.00 C ATOM 899 SD MET A 60 48.759 -15.391 3.415 1.00 10.00 S ATOM 900 CE MET A 60 49.998 -16.234 4.431 1.00 10.00 C ATOM 0 H MET A 60 45.980 -17.360 7.230 1.00 10.00 H new ATOM 0 HA MET A 60 47.024 -14.717 7.272 1.00 10.00 H new ATOM 0 HB2 MET A 60 47.570 -16.735 5.701 1.00 10.00 H new ATOM 0 HB3 MET A 60 46.145 -16.252 4.802 1.00 10.00 H new ATOM 0 HG2 MET A 60 47.046 -14.036 4.400 1.00 10.00 H new ATOM 0 HG3 MET A 60 48.370 -14.306 5.516 1.00 10.00 H new ATOM 0 HE1 MET A 60 50.952 -16.248 3.904 1.00 10.00 H new ATOM 0 HE2 MET A 60 50.114 -15.705 5.377 1.00 10.00 H new ATOM 0 HE3 MET A 60 49.675 -17.257 4.625 1.00 10.00 H new ATOM 910 N SER A 61 43.920 -15.059 6.261 1.00 10.00 N ATOM 911 CA SER A 61 42.641 -14.356 6.117 1.00 10.00 C ATOM 912 C SER A 61 42.379 -13.444 7.322 1.00 10.00 C ATOM 913 O SER A 61 42.054 -12.266 7.155 1.00 10.00 O ATOM 914 CB SER A 61 41.511 -15.379 5.926 1.00 10.00 C ATOM 915 OG SER A 61 40.275 -14.726 5.689 1.00 10.00 O ATOM 0 H SER A 61 43.826 -16.074 6.224 1.00 10.00 H new ATOM 0 HA SER A 61 42.681 -13.717 5.235 1.00 10.00 H new ATOM 0 HB2 SER A 61 41.747 -16.036 5.089 1.00 10.00 H new ATOM 0 HB3 SER A 61 41.431 -16.009 6.812 1.00 10.00 H new ATOM 0 HG SER A 61 39.569 -15.395 5.569 1.00 10.00 H new ATOM 921 N GLU A 62 42.625 -13.942 8.541 1.00 10.00 N ATOM 922 CA GLU A 62 42.597 -13.130 9.763 1.00 10.00 C ATOM 923 C GLU A 62 43.712 -12.073 9.801 1.00 10.00 C ATOM 924 O GLU A 62 43.433 -10.895 10.013 1.00 10.00 O ATOM 925 CB GLU A 62 42.660 -14.032 11.012 1.00 10.00 C ATOM 926 CG GLU A 62 41.380 -14.857 11.198 1.00 10.00 C ATOM 927 CD GLU A 62 41.426 -15.676 12.504 1.00 10.00 C ATOM 928 OE1 GLU A 62 42.085 -16.743 12.540 1.00 10.00 O ATOM 929 OE2 GLU A 62 40.788 -15.262 13.504 1.00 10.00 O ATOM 0 H GLU A 62 42.850 -14.923 8.707 1.00 10.00 H new ATOM 0 HA GLU A 62 41.652 -12.588 9.761 1.00 10.00 H new ATOM 0 HB2 GLU A 62 43.514 -14.704 10.930 1.00 10.00 H new ATOM 0 HB3 GLU A 62 42.824 -13.415 11.895 1.00 10.00 H new ATOM 0 HG2 GLU A 62 40.516 -14.193 11.213 1.00 10.00 H new ATOM 0 HG3 GLU A 62 41.251 -15.529 10.349 1.00 10.00 H new ATOM 936 N TYR A 63 44.959 -12.468 9.540 1.00 10.00 N ATOM 937 CA TYR A 63 46.150 -11.613 9.588 1.00 10.00 C ATOM 938 C TYR A 63 46.010 -10.359 8.730 1.00 10.00 C ATOM 939 O TYR A 63 46.282 -9.251 9.192 1.00 10.00 O ATOM 940 CB TYR A 63 47.383 -12.422 9.140 1.00 10.00 C ATOM 941 CG TYR A 63 48.642 -11.611 8.895 1.00 10.00 C ATOM 942 CD1 TYR A 63 49.307 -10.959 9.952 1.00 10.00 C ATOM 943 CD2 TYR A 63 49.159 -11.538 7.587 1.00 10.00 C ATOM 944 CE1 TYR A 63 50.503 -10.254 9.702 1.00 10.00 C ATOM 945 CE2 TYR A 63 50.367 -10.865 7.340 1.00 10.00 C ATOM 946 CZ TYR A 63 51.048 -10.228 8.398 1.00 10.00 C ATOM 947 OH TYR A 63 52.234 -9.605 8.155 1.00 10.00 O ATOM 0 H TYR A 63 45.177 -13.430 9.279 1.00 10.00 H new ATOM 0 HA TYR A 63 46.271 -11.280 10.619 1.00 10.00 H new ATOM 0 HB2 TYR A 63 47.598 -13.174 9.899 1.00 10.00 H new ATOM 0 HB3 TYR A 63 47.132 -12.957 8.224 1.00 10.00 H new ATOM 0 HD1 TYR A 63 48.902 -10.999 10.952 1.00 10.00 H new ATOM 0 HD2 TYR A 63 48.625 -12.001 6.771 1.00 10.00 H new ATOM 0 HE1 TYR A 63 51.002 -9.734 10.507 1.00 10.00 H new ATOM 0 HE2 TYR A 63 50.774 -10.835 6.340 1.00 10.00 H new ATOM 0 HH TYR A 63 52.458 -9.686 7.204 1.00 10.00 H new ATOM 957 N ASN A 64 45.575 -10.535 7.484 1.00 10.00 N ATOM 958 CA ASN A 64 45.562 -9.461 6.497 1.00 10.00 C ATOM 959 C ASN A 64 44.407 -8.471 6.741 1.00 10.00 C ATOM 960 O ASN A 64 44.592 -7.258 6.628 1.00 10.00 O ATOM 961 CB ASN A 64 45.485 -10.098 5.099 1.00 10.00 C ATOM 962 CG ASN A 64 45.485 -9.060 3.987 1.00 10.00 C ATOM 963 OD1 ASN A 64 44.446 -8.629 3.507 1.00 10.00 O ATOM 964 ND2 ASN A 64 46.642 -8.622 3.542 1.00 10.00 N ATOM 0 H ASN A 64 45.222 -11.425 7.132 1.00 10.00 H new ATOM 0 HA ASN A 64 46.476 -8.874 6.582 1.00 10.00 H new ATOM 0 HB2 ASN A 64 46.331 -10.772 4.963 1.00 10.00 H new ATOM 0 HB3 ASN A 64 44.581 -10.703 5.028 1.00 10.00 H new ATOM 0 HD21 ASN A 64 46.671 -7.925 2.798 1.00 10.00 H new ATOM 0 HD22 ASN A 64 47.510 -8.980 3.940 1.00 10.00 H new ATOM 1108 N VAL A 74 44.188 -1.340 19.526 1.00 10.00 N ATOM 1109 CA VAL A 74 45.284 -1.205 20.493 1.00 10.00 C ATOM 1110 C VAL A 74 45.188 0.088 21.324 1.00 10.00 C ATOM 1111 O VAL A 74 45.519 0.077 22.510 1.00 10.00 O ATOM 1112 CB VAL A 74 46.613 -1.336 19.717 1.00 10.00 C ATOM 1113 CG1 VAL A 74 47.823 -0.733 20.422 1.00 10.00 C ATOM 1114 CG2 VAL A 74 46.916 -2.818 19.458 1.00 10.00 C ATOM 0 HA VAL A 74 45.222 -1.999 21.237 1.00 10.00 H new ATOM 0 HB VAL A 74 46.462 -0.774 18.795 1.00 10.00 H new ATOM 0 HG11 VAL A 74 48.710 -0.871 19.804 1.00 10.00 H new ATOM 0 HG12 VAL A 74 47.656 0.332 20.584 1.00 10.00 H new ATOM 0 HG13 VAL A 74 47.969 -1.228 21.382 1.00 10.00 H new ATOM 0 HG21 VAL A 74 47.854 -2.907 18.910 1.00 10.00 H new ATOM 0 HG22 VAL A 74 47.000 -3.344 20.409 1.00 10.00 H new ATOM 0 HG23 VAL A 74 46.110 -3.257 18.870 1.00 10.00 H new ATOM 1124 N LYS A 75 44.664 1.182 20.750 1.00 10.00 N ATOM 1125 CA LYS A 75 44.439 2.466 21.445 1.00 10.00 C ATOM 1126 C LYS A 75 43.314 2.415 22.500 1.00 10.00 C ATOM 1127 O LYS A 75 43.272 3.264 23.393 1.00 10.00 O ATOM 1128 CB LYS A 75 44.167 3.545 20.378 1.00 10.00 C ATOM 1129 CG LYS A 75 44.306 4.981 20.908 1.00 10.00 C ATOM 1130 CD LYS A 75 44.120 6.003 19.776 1.00 10.00 C ATOM 1131 CE LYS A 75 44.320 7.449 20.251 1.00 10.00 C ATOM 1132 NZ LYS A 75 43.263 7.892 21.202 1.00 10.00 N ATOM 0 H LYS A 75 44.378 1.203 19.771 1.00 10.00 H new ATOM 0 HA LYS A 75 45.336 2.707 22.015 1.00 10.00 H new ATOM 0 HB2 LYS A 75 44.858 3.405 19.547 1.00 10.00 H new ATOM 0 HB3 LYS A 75 43.160 3.408 19.983 1.00 10.00 H new ATOM 0 HG2 LYS A 75 43.566 5.158 21.689 1.00 10.00 H new ATOM 0 HG3 LYS A 75 45.288 5.111 21.364 1.00 10.00 H new ATOM 0 HD2 LYS A 75 44.827 5.786 18.975 1.00 10.00 H new ATOM 0 HD3 LYS A 75 43.120 5.897 19.356 1.00 10.00 H new ATOM 0 HE2 LYS A 75 45.295 7.538 20.730 1.00 10.00 H new ATOM 0 HE3 LYS A 75 44.327 8.113 19.387 1.00 10.00 H new ATOM 0 HZ1 LYS A 75 43.446 8.874 21.491 1.00 10.00 H new ATOM 0 HZ2 LYS A 75 42.333 7.834 20.739 1.00 10.00 H new ATOM 0 HZ3 LYS A 75 43.271 7.277 22.041 1.00 10.00 H new ATOM 1146 N SER A 76 42.439 1.405 22.434 1.00 10.00 N ATOM 1147 CA SER A 76 41.187 1.305 23.212 1.00 10.00 C ATOM 1148 C SER A 76 40.942 -0.099 23.792 1.00 10.00 C ATOM 1149 O SER A 76 39.808 -0.447 24.123 1.00 10.00 O ATOM 1150 CB SER A 76 39.999 1.723 22.328 1.00 10.00 C ATOM 1151 OG SER A 76 40.168 3.046 21.832 1.00 10.00 O ATOM 0 H SER A 76 42.583 0.605 21.818 1.00 10.00 H new ATOM 0 HA SER A 76 41.286 1.979 24.063 1.00 10.00 H new ATOM 0 HB2 SER A 76 39.901 1.029 21.494 1.00 10.00 H new ATOM 0 HB3 SER A 76 39.075 1.663 22.903 1.00 10.00 H new ATOM 0 HG SER A 76 39.400 3.286 21.272 1.00 10.00 H new ATOM 1157 N MET A 77 41.984 -0.930 23.914 1.00 10.00 N ATOM 1158 CA MET A 77 41.859 -2.358 24.247 1.00 10.00 C ATOM 1159 C MET A 77 41.088 -2.654 25.547 1.00 10.00 C ATOM 1160 O MET A 77 40.352 -3.639 25.600 1.00 10.00 O ATOM 1161 CB MET A 77 43.241 -3.037 24.226 1.00 10.00 C ATOM 1162 CG MET A 77 44.226 -2.517 25.286 1.00 10.00 C ATOM 1163 SD MET A 77 45.793 -3.432 25.386 1.00 10.00 S ATOM 1164 CE MET A 77 46.610 -2.900 23.856 1.00 10.00 C ATOM 0 H MET A 77 42.950 -0.628 23.783 1.00 10.00 H new ATOM 0 HA MET A 77 41.236 -2.794 23.466 1.00 10.00 H new ATOM 0 HB2 MET A 77 43.107 -4.109 24.369 1.00 10.00 H new ATOM 0 HB3 MET A 77 43.684 -2.900 23.239 1.00 10.00 H new ATOM 0 HG2 MET A 77 44.446 -1.470 25.075 1.00 10.00 H new ATOM 0 HG3 MET A 77 43.739 -2.550 26.261 1.00 10.00 H new ATOM 0 HE1 MET A 77 47.631 -3.280 23.838 1.00 10.00 H new ATOM 0 HE2 MET A 77 46.063 -3.289 22.997 1.00 10.00 H new ATOM 0 HE3 MET A 77 46.627 -1.811 23.812 1.00 10.00 H new ATOM 1174 N LYS A 78 41.192 -1.799 26.577 1.00 10.00 N ATOM 1175 CA LYS A 78 40.455 -1.956 27.849 1.00 10.00 C ATOM 1176 C LYS A 78 38.966 -1.612 27.701 1.00 10.00 C ATOM 1177 O LYS A 78 38.113 -2.297 28.262 1.00 10.00 O ATOM 1178 CB LYS A 78 41.133 -1.102 28.944 1.00 10.00 C ATOM 1179 CG LYS A 78 41.287 -1.782 30.320 1.00 10.00 C ATOM 1180 CD LYS A 78 39.991 -2.070 31.103 1.00 10.00 C ATOM 1181 CE LYS A 78 39.335 -3.423 30.791 1.00 10.00 C ATOM 1182 NZ LYS A 78 40.100 -4.580 31.320 1.00 10.00 N ATOM 0 H LYS A 78 41.792 -0.974 26.554 1.00 10.00 H new ATOM 0 HA LYS A 78 40.494 -3.005 28.144 1.00 10.00 H new ATOM 0 HB2 LYS A 78 42.122 -0.809 28.591 1.00 10.00 H new ATOM 0 HB3 LYS A 78 40.557 -0.186 29.074 1.00 10.00 H new ATOM 0 HG2 LYS A 78 41.813 -2.726 30.175 1.00 10.00 H new ATOM 0 HG3 LYS A 78 41.926 -1.153 30.940 1.00 10.00 H new ATOM 0 HD2 LYS A 78 40.211 -2.027 32.170 1.00 10.00 H new ATOM 0 HD3 LYS A 78 39.273 -1.277 30.893 1.00 10.00 H new ATOM 0 HE2 LYS A 78 38.330 -3.438 31.212 1.00 10.00 H new ATOM 0 HE3 LYS A 78 39.230 -3.528 29.711 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 39.715 -5.461 30.924 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 41.100 -4.487 31.051 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 40.021 -4.603 32.357 1.00 10.00 H new ATOM 1196 N ASP A 79 38.631 -0.597 26.906 1.00 10.00 N ATOM 1197 CA ASP A 79 37.238 -0.258 26.582 1.00 10.00 C ATOM 1198 C ASP A 79 36.562 -1.369 25.753 1.00 10.00 C ATOM 1199 O ASP A 79 35.409 -1.717 26.005 1.00 10.00 O ATOM 1200 CB ASP A 79 37.199 1.087 25.844 1.00 10.00 C ATOM 1201 CG ASP A 79 35.759 1.562 25.595 1.00 10.00 C ATOM 1202 OD1 ASP A 79 35.108 2.045 26.554 1.00 10.00 O ATOM 1203 OD2 ASP A 79 35.284 1.481 24.437 1.00 10.00 O ATOM 0 H ASP A 79 39.316 0.017 26.465 1.00 10.00 H new ATOM 0 HA ASP A 79 36.675 -0.171 27.511 1.00 10.00 H new ATOM 0 HB2 ASP A 79 37.733 1.837 26.428 1.00 10.00 H new ATOM 0 HB3 ASP A 79 37.720 0.994 24.891 1.00 10.00 H new ATOM 1208 N ILE A 80 37.305 -1.980 24.821 1.00 10.00 N ATOM 1209 CA ILE A 80 36.859 -3.149 24.047 1.00 10.00 C ATOM 1210 C ILE A 80 36.663 -4.368 24.960 1.00 10.00 C ATOM 1211 O ILE A 80 35.605 -4.995 24.934 1.00 10.00 O ATOM 1212 CB ILE A 80 37.843 -3.432 22.887 1.00 10.00 C ATOM 1213 CG1 ILE A 80 37.823 -2.250 21.886 1.00 10.00 C ATOM 1214 CG2 ILE A 80 37.500 -4.751 22.166 1.00 10.00 C ATOM 1215 CD1 ILE A 80 38.956 -2.280 20.854 1.00 10.00 C ATOM 0 H ILE A 80 38.247 -1.673 24.579 1.00 10.00 H new ATOM 0 HA ILE A 80 35.888 -2.931 23.603 1.00 10.00 H new ATOM 0 HB ILE A 80 38.844 -3.536 23.305 1.00 10.00 H new ATOM 0 HG12 ILE A 80 36.868 -2.250 21.360 1.00 10.00 H new ATOM 0 HG13 ILE A 80 37.880 -1.315 22.444 1.00 10.00 H new ATOM 0 HG21 ILE A 80 38.211 -4.919 21.357 1.00 10.00 H new ATOM 0 HG22 ILE A 80 37.554 -5.578 22.874 1.00 10.00 H new ATOM 0 HG23 ILE A 80 36.492 -4.690 21.756 1.00 10.00 H new ATOM 0 HD11 ILE A 80 38.868 -1.418 20.192 1.00 10.00 H new ATOM 0 HD12 ILE A 80 39.917 -2.247 21.368 1.00 10.00 H new ATOM 0 HD13 ILE A 80 38.890 -3.196 20.267 1.00 10.00 H new ATOM 1227 N ASP A 81 37.643 -4.673 25.813 1.00 10.00 N ATOM 1228 CA ASP A 81 37.588 -5.777 26.784 1.00 10.00 C ATOM 1229 C ASP A 81 36.388 -5.673 27.746 1.00 10.00 C ATOM 1230 O ASP A 81 35.768 -6.681 28.092 1.00 10.00 O ATOM 1231 CB ASP A 81 38.916 -5.840 27.555 1.00 10.00 C ATOM 1232 CG ASP A 81 38.952 -6.973 28.592 1.00 10.00 C ATOM 1233 OD1 ASP A 81 38.967 -8.162 28.194 1.00 10.00 O ATOM 1234 OD2 ASP A 81 39.014 -6.666 29.807 1.00 10.00 O ATOM 0 H ASP A 81 38.518 -4.150 25.852 1.00 10.00 H new ATOM 0 HA ASP A 81 37.441 -6.703 26.229 1.00 10.00 H new ATOM 0 HB2 ASP A 81 39.735 -5.975 26.848 1.00 10.00 H new ATOM 0 HB3 ASP A 81 39.084 -4.888 28.059 1.00 10.00 H new ATOM 1239 N SER A 82 36.007 -4.445 28.114 1.00 10.00 N ATOM 1240 CA SER A 82 34.822 -4.139 28.935 1.00 10.00 C ATOM 1241 C SER A 82 33.472 -4.376 28.226 1.00 10.00 C ATOM 1242 O SER A 82 32.426 -4.322 28.879 1.00 10.00 O ATOM 1243 CB SER A 82 34.877 -2.683 29.424 1.00 10.00 C ATOM 1244 OG SER A 82 36.068 -2.426 30.152 1.00 10.00 O ATOM 0 H SER A 82 36.527 -3.610 27.843 1.00 10.00 H new ATOM 0 HA SER A 82 34.864 -4.839 29.769 1.00 10.00 H new ATOM 0 HB2 SER A 82 34.818 -2.008 28.570 1.00 10.00 H new ATOM 0 HB3 SER A 82 34.012 -2.476 30.054 1.00 10.00 H new ATOM 0 HG SER A 82 36.825 -2.372 29.532 1.00 10.00 H new ATOM 1250 N SER A 83 33.472 -4.654 26.914 1.00 10.00 N ATOM 1251 CA SER A 83 32.275 -4.703 26.048 1.00 10.00 C ATOM 1252 C SER A 83 32.274 -5.876 25.044 1.00 10.00 C ATOM 1253 O SER A 83 31.495 -5.874 24.088 1.00 10.00 O ATOM 1254 CB SER A 83 32.123 -3.362 25.307 1.00 10.00 C ATOM 1255 OG SER A 83 31.926 -2.283 26.212 1.00 10.00 O ATOM 0 H SER A 83 34.332 -4.858 26.405 1.00 10.00 H new ATOM 0 HA SER A 83 31.422 -4.876 26.704 1.00 10.00 H new ATOM 0 HB2 SER A 83 33.013 -3.175 24.705 1.00 10.00 H new ATOM 0 HB3 SER A 83 31.279 -3.419 24.619 1.00 10.00 H new ATOM 0 HG SER A 83 31.835 -1.447 25.709 1.00 10.00 H new