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 -154:sc= -2.07 (180deg=-3.89!) USER MOD Set 2.1: A 34 LYS NZ :NH3+ -169:sc= 1.09 (180deg=0) USER MOD Set 2.2: A 37 GLN : amide:sc= 0.935 K(o=2,f=-3.1) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 42 ASN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 44 THR OG1 : rot 53:sc= 1.22 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.71 K(o=-1.7,f=-4.3!) 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= -0.375 X(o=-0.37,f=-0.19) USER MOD Single : A 57 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.38) USER MOD Single : A 58 MET CE :methyl 171:sc= 0 (180deg=-0.0923) USER MOD Single : A 61 SER OG : rot 74:sc= 0.82 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -29:sc= 0.00341 USER MOD ----------------------------------------------------------------- ATOM 461 N LEU A 32 49.522 -12.426 16.517 1.00 10.00 N ATOM 462 CA LEU A 32 48.786 -12.915 15.342 1.00 10.00 C ATOM 463 C LEU A 32 49.742 -13.178 14.165 1.00 10.00 C ATOM 464 O LEU A 32 49.685 -14.218 13.509 1.00 10.00 O ATOM 465 CB LEU A 32 47.735 -11.846 14.973 1.00 10.00 C ATOM 466 CG LEU A 32 46.461 -12.317 14.242 1.00 10.00 C ATOM 467 CD1 LEU A 32 45.759 -11.086 13.664 1.00 10.00 C ATOM 468 CD2 LEU A 32 46.692 -13.309 13.104 1.00 10.00 C ATOM 0 HA LEU A 32 48.297 -13.862 15.569 1.00 10.00 H new ATOM 0 HB2 LEU A 32 47.429 -11.345 15.891 1.00 10.00 H new ATOM 0 HB3 LEU A 32 48.223 -11.097 14.349 1.00 10.00 H new ATOM 0 HG LEU A 32 45.866 -12.845 14.987 1.00 10.00 H new ATOM 0 HD11 LEU A 32 44.854 -11.395 13.142 1.00 10.00 H new ATOM 0 HD12 LEU A 32 45.496 -10.404 14.473 1.00 10.00 H new ATOM 0 HD13 LEU A 32 46.426 -10.581 12.966 1.00 10.00 H new ATOM 0 HD21 LEU A 32 45.735 -13.577 12.656 1.00 10.00 H new ATOM 0 HD22 LEU A 32 47.332 -12.853 12.348 1.00 10.00 H new ATOM 0 HD23 LEU A 32 47.174 -14.205 13.495 1.00 10.00 H new ATOM 480 N ASN A 33 50.686 -12.261 13.944 1.00 10.00 N ATOM 481 CA ASN A 33 51.760 -12.439 12.962 1.00 10.00 C ATOM 482 C ASN A 33 52.641 -13.658 13.296 1.00 10.00 C ATOM 483 O ASN A 33 53.033 -14.406 12.398 1.00 10.00 O ATOM 484 CB ASN A 33 52.571 -11.134 12.868 1.00 10.00 C ATOM 485 CG ASN A 33 53.662 -11.217 11.813 1.00 10.00 C ATOM 486 OD1 ASN A 33 53.410 -11.159 10.619 1.00 10.00 O ATOM 487 ND2 ASN A 33 54.907 -11.354 12.212 1.00 10.00 N ATOM 0 H ASN A 33 50.728 -11.372 14.442 1.00 10.00 H new ATOM 0 HA ASN A 33 51.326 -12.650 11.984 1.00 10.00 H new ATOM 0 HB2 ASN A 33 51.901 -10.307 12.633 1.00 10.00 H new ATOM 0 HB3 ASN A 33 53.019 -10.915 13.837 1.00 10.00 H new ATOM 0 HD21 ASN A 33 55.659 -11.412 11.525 1.00 10.00 H new ATOM 0 HD22 ASN A 33 55.121 -11.403 13.208 1.00 10.00 H new ATOM 494 N LYS A 34 52.897 -13.907 14.587 1.00 10.00 N ATOM 495 CA LYS A 34 53.625 -15.098 15.059 1.00 10.00 C ATOM 496 C LYS A 34 52.826 -16.397 14.879 1.00 10.00 C ATOM 497 O LYS A 34 53.403 -17.401 14.467 1.00 10.00 O ATOM 498 CB LYS A 34 54.084 -14.889 16.517 1.00 10.00 C ATOM 499 CG LYS A 34 55.183 -15.868 16.973 1.00 10.00 C ATOM 500 CD LYS A 34 56.518 -15.645 16.244 1.00 10.00 C ATOM 501 CE LYS A 34 57.584 -16.626 16.741 1.00 10.00 C ATOM 502 NZ LYS A 34 58.862 -16.435 16.007 1.00 10.00 N ATOM 0 H LYS A 34 52.604 -13.285 15.340 1.00 10.00 H new ATOM 0 HA LYS A 34 54.509 -15.219 14.433 1.00 10.00 H new ATOM 0 HB2 LYS A 34 54.451 -13.869 16.629 1.00 10.00 H new ATOM 0 HB3 LYS A 34 53.223 -14.992 17.177 1.00 10.00 H new ATOM 0 HG2 LYS A 34 55.338 -15.759 18.046 1.00 10.00 H new ATOM 0 HG3 LYS A 34 54.847 -16.891 16.801 1.00 10.00 H new ATOM 0 HD2 LYS A 34 56.376 -15.770 15.171 1.00 10.00 H new ATOM 0 HD3 LYS A 34 56.857 -14.622 16.404 1.00 10.00 H new ATOM 0 HE2 LYS A 34 57.748 -16.481 17.809 1.00 10.00 H new ATOM 0 HE3 LYS A 34 57.233 -17.649 16.608 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 59.507 -17.222 16.223 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 58.675 -16.411 14.984 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 59.300 -15.538 16.300 1.00 10.00 H new ATOM 516 N GLN A 35 51.507 -16.374 15.084 1.00 10.00 N ATOM 517 CA GLN A 35 50.606 -17.495 14.761 1.00 10.00 C ATOM 518 C GLN A 35 50.642 -17.831 13.266 1.00 10.00 C ATOM 519 O GLN A 35 50.682 -18.999 12.885 1.00 10.00 O ATOM 520 CB GLN A 35 49.149 -17.191 15.155 1.00 10.00 C ATOM 521 CG GLN A 35 48.892 -17.159 16.666 1.00 10.00 C ATOM 522 CD GLN A 35 47.415 -16.924 16.990 1.00 10.00 C ATOM 523 OE1 GLN A 35 46.516 -17.539 16.428 1.00 10.00 O ATOM 524 NE2 GLN A 35 47.089 -16.040 17.906 1.00 10.00 N ATOM 0 H GLN A 35 51.024 -15.569 15.483 1.00 10.00 H new ATOM 0 HA GLN A 35 50.965 -18.347 15.338 1.00 10.00 H new ATOM 0 HB2 GLN A 35 48.865 -16.228 14.730 1.00 10.00 H new ATOM 0 HB3 GLN A 35 48.500 -17.942 14.705 1.00 10.00 H new ATOM 0 HG2 GLN A 35 49.215 -18.101 17.109 1.00 10.00 H new ATOM 0 HG3 GLN A 35 49.493 -16.371 17.120 1.00 10.00 H new ATOM 0 HE21 GLN A 35 47.817 -15.514 18.389 1.00 10.00 H new ATOM 0 HE22 GLN A 35 46.108 -15.880 18.134 1.00 10.00 H new ATOM 533 N LEU A 36 50.664 -16.809 12.413 1.00 10.00 N ATOM 534 CA LEU A 36 50.748 -16.986 10.965 1.00 10.00 C ATOM 535 C LEU A 36 52.117 -17.506 10.515 1.00 10.00 C ATOM 536 O LEU A 36 52.174 -18.376 9.651 1.00 10.00 O ATOM 537 CB LEU A 36 50.355 -15.689 10.275 1.00 10.00 C ATOM 538 CG LEU A 36 50.148 -15.900 8.766 1.00 10.00 C ATOM 539 CD1 LEU A 36 49.026 -16.860 8.361 1.00 10.00 C ATOM 540 CD2 LEU A 36 49.753 -14.546 8.222 1.00 10.00 C ATOM 0 H LEU A 36 50.624 -15.833 12.707 1.00 10.00 H new ATOM 0 HA LEU A 36 50.042 -17.761 10.667 1.00 10.00 H new ATOM 0 HB2 LEU A 36 49.438 -15.301 10.719 1.00 10.00 H new ATOM 0 HB3 LEU A 36 51.129 -14.939 10.437 1.00 10.00 H new ATOM 0 HG LEU A 36 51.071 -16.336 8.383 1.00 10.00 H new ATOM 0 HD11 LEU A 36 48.978 -16.926 7.274 1.00 10.00 H new ATOM 0 HD12 LEU A 36 49.225 -17.848 8.776 1.00 10.00 H new ATOM 0 HD13 LEU A 36 48.075 -16.490 8.744 1.00 10.00 H new ATOM 0 HD21 LEU A 36 49.588 -14.620 7.147 1.00 10.00 H new ATOM 0 HD22 LEU A 36 48.836 -14.212 8.707 1.00 10.00 H new ATOM 0 HD23 LEU A 36 50.550 -13.828 8.419 1.00 10.00 H new ATOM 552 N GLN A 37 53.207 -17.053 11.138 1.00 10.00 N ATOM 553 CA GLN A 37 54.541 -17.619 10.916 1.00 10.00 C ATOM 554 C GLN A 37 54.627 -19.081 11.387 1.00 10.00 C ATOM 555 O GLN A 37 55.265 -19.901 10.732 1.00 10.00 O ATOM 556 CB GLN A 37 55.593 -16.737 11.616 1.00 10.00 C ATOM 557 CG GLN A 37 57.036 -17.157 11.293 1.00 10.00 C ATOM 558 CD GLN A 37 58.061 -16.277 12.006 1.00 10.00 C ATOM 559 OE1 GLN A 37 58.260 -16.356 13.213 1.00 10.00 O ATOM 560 NE2 GLN A 37 58.759 -15.410 11.303 1.00 10.00 N ATOM 0 H GLN A 37 53.191 -16.285 11.809 1.00 10.00 H new ATOM 0 HA GLN A 37 54.742 -17.629 9.845 1.00 10.00 H new ATOM 0 HB2 GLN A 37 55.446 -15.699 11.317 1.00 10.00 H new ATOM 0 HB3 GLN A 37 55.439 -16.783 12.694 1.00 10.00 H new ATOM 0 HG2 GLN A 37 57.185 -18.197 11.585 1.00 10.00 H new ATOM 0 HG3 GLN A 37 57.197 -17.102 10.216 1.00 10.00 H new ATOM 0 HE21 GLN A 37 58.608 -15.329 10.297 1.00 10.00 H new ATOM 0 HE22 GLN A 37 59.451 -14.819 11.764 1.00 10.00 H new ATOM 569 N ASP A 38 53.941 -19.441 12.474 1.00 10.00 N ATOM 570 CA ASP A 38 53.802 -20.837 12.908 1.00 10.00 C ATOM 571 C ASP A 38 52.983 -21.671 11.910 1.00 10.00 C ATOM 572 O ASP A 38 53.359 -22.802 11.596 1.00 10.00 O ATOM 573 CB ASP A 38 53.215 -20.905 14.323 1.00 10.00 C ATOM 574 CG ASP A 38 53.205 -22.347 14.855 1.00 10.00 C ATOM 575 OD1 ASP A 38 54.283 -22.855 15.244 1.00 10.00 O ATOM 576 OD2 ASP A 38 52.120 -22.973 14.894 1.00 10.00 O ATOM 0 H ASP A 38 53.465 -18.773 13.080 1.00 10.00 H new ATOM 0 HA ASP A 38 54.798 -21.278 12.935 1.00 10.00 H new ATOM 0 HB2 ASP A 38 53.799 -20.272 14.992 1.00 10.00 H new ATOM 0 HB3 ASP A 38 52.199 -20.510 14.317 1.00 10.00 H new ATOM 581 N ALA A 39 51.928 -21.098 11.317 1.00 10.00 N ATOM 582 CA ALA A 39 51.221 -21.731 10.201 1.00 10.00 C ATOM 583 C ALA A 39 52.155 -21.955 9.014 1.00 10.00 C ATOM 584 O ALA A 39 52.219 -23.054 8.474 1.00 10.00 O ATOM 585 CB ALA A 39 49.991 -20.925 9.751 1.00 10.00 C ATOM 0 H ALA A 39 51.546 -20.194 11.594 1.00 10.00 H new ATOM 0 HA ALA A 39 50.870 -22.695 10.568 1.00 10.00 H new ATOM 0 HB1 ALA A 39 49.503 -21.438 8.922 1.00 10.00 H new ATOM 0 HB2 ALA A 39 49.292 -20.833 10.582 1.00 10.00 H new ATOM 0 HB3 ALA A 39 50.305 -19.932 9.429 1.00 10.00 H new ATOM 591 N GLN A 40 52.924 -20.927 8.662 1.00 10.00 N ATOM 592 CA GLN A 40 53.894 -20.930 7.574 1.00 10.00 C ATOM 593 C GLN A 40 55.050 -21.901 7.827 1.00 10.00 C ATOM 594 O GLN A 40 55.648 -22.367 6.869 1.00 10.00 O ATOM 595 CB GLN A 40 54.420 -19.493 7.383 1.00 10.00 C ATOM 596 CG GLN A 40 55.047 -19.271 5.996 1.00 10.00 C ATOM 597 CD GLN A 40 55.564 -17.844 5.798 1.00 10.00 C ATOM 598 OE1 GLN A 40 55.017 -16.865 6.292 1.00 10.00 O ATOM 599 NE2 GLN A 40 56.644 -17.663 5.065 1.00 10.00 N ATOM 0 H GLN A 40 52.885 -20.032 9.149 1.00 10.00 H new ATOM 0 HA GLN A 40 53.398 -21.275 6.667 1.00 10.00 H new ATOM 0 HB2 GLN A 40 53.600 -18.788 7.524 1.00 10.00 H new ATOM 0 HB3 GLN A 40 55.162 -19.277 8.152 1.00 10.00 H new ATOM 0 HG2 GLN A 40 55.870 -19.973 5.858 1.00 10.00 H new ATOM 0 HG3 GLN A 40 54.306 -19.494 5.228 1.00 10.00 H new ATOM 0 HE21 GLN A 40 57.115 -18.464 4.644 1.00 10.00 H new ATOM 0 HE22 GLN A 40 57.009 -16.722 4.918 1.00 10.00 H new ATOM 608 N ALA A 41 55.382 -22.227 9.080 1.00 10.00 N ATOM 609 CA ALA A 41 56.318 -23.300 9.439 1.00 10.00 C ATOM 610 C ALA A 41 55.715 -24.708 9.406 1.00 10.00 C ATOM 611 O ALA A 41 56.387 -25.628 8.941 1.00 10.00 O ATOM 612 CB ALA A 41 56.989 -22.981 10.769 1.00 10.00 C ATOM 0 H ALA A 41 55.000 -21.742 9.892 1.00 10.00 H new ATOM 0 HA ALA A 41 57.078 -23.327 8.658 1.00 10.00 H new ATOM 0 HB1 ALA A 41 57.682 -23.782 11.028 1.00 10.00 H new ATOM 0 HB2 ALA A 41 57.535 -22.042 10.685 1.00 10.00 H new ATOM 0 HB3 ALA A 41 56.231 -22.891 11.547 1.00 10.00 H new ATOM 618 N ASN A 42 54.452 -24.901 9.809 1.00 10.00 N ATOM 619 CA ASN A 42 53.773 -26.179 9.564 1.00 10.00 C ATOM 620 C ASN A 42 53.661 -26.391 8.045 1.00 10.00 C ATOM 621 O ASN A 42 53.830 -27.504 7.543 1.00 10.00 O ATOM 622 CB ASN A 42 52.395 -26.243 10.252 1.00 10.00 C ATOM 623 CG ASN A 42 52.481 -26.437 11.758 1.00 10.00 C ATOM 624 OD1 ASN A 42 52.389 -27.545 12.267 1.00 10.00 O ATOM 625 ND2 ASN A 42 52.654 -25.387 12.525 1.00 10.00 N ATOM 0 H ASN A 42 53.890 -24.204 10.296 1.00 10.00 H new ATOM 0 HA ASN A 42 54.361 -26.986 10.001 1.00 10.00 H new ATOM 0 HB2 ASN A 42 51.849 -25.323 10.042 1.00 10.00 H new ATOM 0 HB3 ASN A 42 51.819 -27.061 9.820 1.00 10.00 H new ATOM 0 HD21 ASN A 42 52.711 -25.499 13.537 1.00 10.00 H new ATOM 0 HD22 ASN A 42 52.732 -24.459 12.109 1.00 10.00 H new ATOM 632 N LEU A 43 53.477 -25.291 7.307 1.00 10.00 N ATOM 633 CA LEU A 43 53.562 -25.244 5.866 1.00 10.00 C ATOM 634 C LEU A 43 54.993 -25.405 5.367 1.00 10.00 C ATOM 635 O LEU A 43 55.209 -26.074 4.381 1.00 10.00 O ATOM 636 CB LEU A 43 52.913 -23.936 5.369 1.00 10.00 C ATOM 637 CG LEU A 43 52.301 -24.119 3.992 1.00 10.00 C ATOM 638 CD1 LEU A 43 51.095 -25.026 4.141 1.00 10.00 C ATOM 639 CD2 LEU A 43 51.788 -22.830 3.373 1.00 10.00 C ATOM 0 H LEU A 43 53.258 -24.385 7.722 1.00 10.00 H new ATOM 0 HA LEU A 43 53.014 -26.090 5.451 1.00 10.00 H new ATOM 0 HB2 LEU A 43 52.144 -23.618 6.073 1.00 10.00 H new ATOM 0 HB3 LEU A 43 53.662 -23.145 5.335 1.00 10.00 H new ATOM 0 HG LEU A 43 53.086 -24.518 3.349 1.00 10.00 H new ATOM 0 HD11 LEU A 43 50.631 -25.178 3.166 1.00 10.00 H new ATOM 0 HD12 LEU A 43 51.411 -25.987 4.546 1.00 10.00 H new ATOM 0 HD13 LEU A 43 50.375 -24.566 4.818 1.00 10.00 H new ATOM 0 HD21 LEU A 43 51.365 -23.041 2.391 1.00 10.00 H new ATOM 0 HD22 LEU A 43 51.019 -22.399 4.014 1.00 10.00 H new ATOM 0 HD23 LEU A 43 52.611 -22.123 3.269 1.00 10.00 H new ATOM 651 N THR A 44 56.012 -24.893 6.041 1.00 10.00 N ATOM 652 CA THR A 44 57.399 -25.063 5.585 1.00 10.00 C ATOM 653 C THR A 44 57.808 -26.536 5.612 1.00 10.00 C ATOM 654 O THR A 44 58.501 -27.020 4.713 1.00 10.00 O ATOM 655 CB THR A 44 58.388 -24.243 6.415 1.00 10.00 C ATOM 656 OG1 THR A 44 58.233 -22.865 6.153 1.00 10.00 O ATOM 657 CG2 THR A 44 59.819 -24.612 6.074 1.00 10.00 C ATOM 0 H THR A 44 55.914 -24.357 6.903 1.00 10.00 H new ATOM 0 HA THR A 44 57.434 -24.696 4.559 1.00 10.00 H new ATOM 0 HB THR A 44 58.182 -24.460 7.463 1.00 10.00 H new ATOM 0 HG1 THR A 44 57.294 -22.613 6.274 1.00 10.00 H new ATOM 0 HG21 THR A 44 60.502 -24.015 6.678 1.00 10.00 H new ATOM 0 HG22 THR A 44 59.981 -25.670 6.281 1.00 10.00 H new ATOM 0 HG23 THR A 44 60.003 -24.417 5.018 1.00 10.00 H new ATOM 665 N LYS A 45 57.353 -27.260 6.638 1.00 10.00 N ATOM 666 CA LYS A 45 57.548 -28.709 6.767 1.00 10.00 C ATOM 667 C LYS A 45 56.911 -29.504 5.621 1.00 10.00 C ATOM 668 O LYS A 45 57.472 -30.517 5.202 1.00 10.00 O ATOM 669 CB LYS A 45 57.016 -29.153 8.133 1.00 10.00 C ATOM 670 CG LYS A 45 57.867 -28.668 9.312 1.00 10.00 C ATOM 671 CD LYS A 45 57.229 -29.112 10.636 1.00 10.00 C ATOM 672 CE LYS A 45 57.870 -28.409 11.835 1.00 10.00 C ATOM 673 NZ LYS A 45 59.252 -28.887 12.110 1.00 10.00 N ATOM 0 H LYS A 45 56.831 -26.852 7.414 1.00 10.00 H new ATOM 0 HA LYS A 45 58.615 -28.922 6.700 1.00 10.00 H new ATOM 0 HB2 LYS A 45 55.998 -28.783 8.254 1.00 10.00 H new ATOM 0 HB3 LYS A 45 56.964 -30.242 8.157 1.00 10.00 H new ATOM 0 HG2 LYS A 45 58.877 -29.070 9.232 1.00 10.00 H new ATOM 0 HG3 LYS A 45 57.954 -27.582 9.286 1.00 10.00 H new ATOM 0 HD2 LYS A 45 56.161 -28.897 10.616 1.00 10.00 H new ATOM 0 HD3 LYS A 45 57.334 -30.191 10.747 1.00 10.00 H new ATOM 0 HE2 LYS A 45 57.891 -27.335 11.652 1.00 10.00 H new ATOM 0 HE3 LYS A 45 57.252 -28.570 12.718 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 59.638 -28.379 12.931 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 59.233 -29.907 12.312 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 59.852 -28.710 11.279 1.00 10.00 H new ATOM 687 N ASN A 46 55.788 -29.029 5.078 1.00 10.00 N ATOM 688 CA ASN A 46 55.151 -29.538 3.875 1.00 10.00 C ATOM 689 C ASN A 46 54.366 -28.440 3.116 1.00 10.00 C ATOM 690 O ASN A 46 53.195 -28.210 3.433 1.00 10.00 O ATOM 691 CB ASN A 46 54.326 -30.757 4.269 1.00 10.00 C ATOM 692 CG ASN A 46 53.837 -31.545 3.055 1.00 10.00 C ATOM 693 OD1 ASN A 46 53.745 -31.055 1.937 1.00 10.00 O ATOM 694 ND2 ASN A 46 53.554 -32.818 3.221 1.00 10.00 N ATOM 0 H ASN A 46 55.280 -28.245 5.487 1.00 10.00 H new ATOM 0 HA ASN A 46 55.897 -29.855 3.146 1.00 10.00 H new ATOM 0 HB2 ASN A 46 54.926 -31.409 4.904 1.00 10.00 H new ATOM 0 HB3 ASN A 46 53.468 -30.436 4.860 1.00 10.00 H new ATOM 0 HD21 ASN A 46 53.262 -33.384 2.424 1.00 10.00 H new ATOM 0 HD22 ASN A 46 53.626 -33.240 4.147 1.00 10.00 H new ATOM 701 N PRO A 47 55.015 -27.723 2.167 1.00 10.00 N ATOM 702 CA PRO A 47 54.482 -26.516 1.518 1.00 10.00 C ATOM 703 C PRO A 47 53.062 -26.561 0.959 1.00 10.00 C ATOM 704 O PRO A 47 52.431 -25.506 0.868 1.00 10.00 O ATOM 705 CB PRO A 47 55.500 -26.151 0.457 1.00 10.00 C ATOM 706 CG PRO A 47 56.825 -26.545 1.102 1.00 10.00 C ATOM 707 CD PRO A 47 56.463 -27.756 1.962 1.00 10.00 C ATOM 0 HA PRO A 47 54.353 -25.760 2.293 1.00 10.00 H new ATOM 0 HB2 PRO A 47 55.326 -26.694 -0.472 1.00 10.00 H new ATOM 0 HB3 PRO A 47 55.469 -25.088 0.216 1.00 10.00 H new ATOM 0 HG2 PRO A 47 57.576 -26.796 0.353 1.00 10.00 H new ATOM 0 HG3 PRO A 47 57.234 -25.734 1.704 1.00 10.00 H new ATOM 0 HD2 PRO A 47 56.761 -28.681 1.469 1.00 10.00 H new ATOM 0 HD3 PRO A 47 56.988 -27.721 2.917 1.00 10.00 H new ATOM 715 N SER A 48 52.528 -27.738 0.623 1.00 10.00 N ATOM 716 CA SER A 48 51.136 -27.912 0.261 1.00 10.00 C ATOM 717 C SER A 48 50.388 -29.036 0.976 1.00 10.00 C ATOM 718 O SER A 48 49.415 -29.589 0.455 1.00 10.00 O ATOM 719 CB SER A 48 51.054 -27.929 -1.251 1.00 10.00 C ATOM 720 OG SER A 48 51.614 -29.113 -1.806 1.00 10.00 O ATOM 0 H SER A 48 53.066 -28.604 0.597 1.00 10.00 H new ATOM 0 HA SER A 48 50.570 -27.062 0.642 1.00 10.00 H new ATOM 0 HB2 SER A 48 50.011 -27.844 -1.558 1.00 10.00 H new ATOM 0 HB3 SER A 48 51.576 -27.060 -1.651 1.00 10.00 H new ATOM 0 HG SER A 48 51.539 -29.084 -2.783 1.00 10.00 H new ATOM 726 N ASP A 49 50.825 -29.358 2.197 1.00 10.00 N ATOM 727 CA ASP A 49 50.063 -30.219 3.105 1.00 10.00 C ATOM 728 C ASP A 49 48.718 -29.508 3.335 1.00 10.00 C ATOM 729 O ASP A 49 48.701 -28.334 3.705 1.00 10.00 O ATOM 730 CB ASP A 49 50.834 -30.489 4.402 1.00 10.00 C ATOM 731 CG ASP A 49 49.980 -31.146 5.504 1.00 10.00 C ATOM 732 OD1 ASP A 49 49.043 -30.501 6.026 1.00 10.00 O ATOM 733 OD2 ASP A 49 50.236 -32.327 5.836 1.00 10.00 O ATOM 0 H ASP A 49 51.711 -29.031 2.582 1.00 10.00 H new ATOM 0 HA ASP A 49 49.894 -31.208 2.679 1.00 10.00 H new ATOM 0 HB2 ASP A 49 51.685 -31.133 4.181 1.00 10.00 H new ATOM 0 HB3 ASP A 49 51.236 -29.548 4.778 1.00 10.00 H new ATOM 738 N PRO A 50 47.582 -30.167 3.083 1.00 10.00 N ATOM 739 CA PRO A 50 46.303 -29.485 3.043 1.00 10.00 C ATOM 740 C PRO A 50 45.785 -28.983 4.383 1.00 10.00 C ATOM 741 O PRO A 50 45.079 -27.984 4.390 1.00 10.00 O ATOM 742 CB PRO A 50 45.347 -30.477 2.413 1.00 10.00 C ATOM 743 CG PRO A 50 45.949 -31.847 2.731 1.00 10.00 C ATOM 744 CD PRO A 50 47.450 -31.574 2.773 1.00 10.00 C ATOM 0 HA PRO A 50 46.407 -28.562 2.472 1.00 10.00 H new ATOM 0 HB2 PRO A 50 44.344 -30.379 2.827 1.00 10.00 H new ATOM 0 HB3 PRO A 50 45.264 -30.320 1.338 1.00 10.00 H new ATOM 0 HG2 PRO A 50 45.585 -32.235 3.682 1.00 10.00 H new ATOM 0 HG3 PRO A 50 45.696 -32.584 1.969 1.00 10.00 H new ATOM 0 HD2 PRO A 50 47.939 -32.189 3.528 1.00 10.00 H new ATOM 0 HD3 PRO A 50 47.918 -31.810 1.817 1.00 10.00 H new ATOM 752 N THR A 51 46.135 -29.601 5.509 1.00 10.00 N ATOM 753 CA THR A 51 45.838 -29.059 6.845 1.00 10.00 C ATOM 754 C THR A 51 46.764 -27.904 7.181 1.00 10.00 C ATOM 755 O THR A 51 46.288 -26.898 7.685 1.00 10.00 O ATOM 756 CB THR A 51 46.004 -30.150 7.895 1.00 10.00 C ATOM 757 OG1 THR A 51 44.975 -31.114 7.790 1.00 10.00 O ATOM 758 CG2 THR A 51 46.049 -29.626 9.328 1.00 10.00 C ATOM 0 H THR A 51 46.632 -30.491 5.527 1.00 10.00 H new ATOM 0 HA THR A 51 44.810 -28.698 6.842 1.00 10.00 H new ATOM 0 HB THR A 51 46.973 -30.603 7.685 1.00 10.00 H new ATOM 0 HG1 THR A 51 45.103 -31.805 8.473 1.00 10.00 H new ATOM 0 HG21 THR A 51 46.169 -30.462 10.017 1.00 10.00 H new ATOM 0 HG22 THR A 51 46.890 -28.941 9.439 1.00 10.00 H new ATOM 0 HG23 THR A 51 45.121 -29.101 9.553 1.00 10.00 H new ATOM 766 N ALA A 52 48.059 -27.993 6.885 1.00 10.00 N ATOM 767 CA ALA A 52 48.989 -26.874 6.999 1.00 10.00 C ATOM 768 C ALA A 52 48.527 -25.669 6.187 1.00 10.00 C ATOM 769 O ALA A 52 48.575 -24.536 6.668 1.00 10.00 O ATOM 770 CB ALA A 52 50.362 -27.388 6.544 1.00 10.00 C ATOM 0 H ALA A 52 48.496 -28.854 6.556 1.00 10.00 H new ATOM 0 HA ALA A 52 49.041 -26.521 8.029 1.00 10.00 H new ATOM 0 HB1 ALA A 52 51.093 -26.582 6.612 1.00 10.00 H new ATOM 0 HB2 ALA A 52 50.672 -28.214 7.184 1.00 10.00 H new ATOM 0 HB3 ALA A 52 50.298 -27.733 5.512 1.00 10.00 H new ATOM 776 N LEU A 53 48.039 -25.916 4.980 1.00 10.00 N ATOM 777 CA LEU A 53 47.604 -24.885 4.057 1.00 10.00 C ATOM 778 C LEU A 53 46.210 -24.374 4.428 1.00 10.00 C ATOM 779 O LEU A 53 45.977 -23.172 4.387 1.00 10.00 O ATOM 780 CB LEU A 53 47.739 -25.486 2.652 1.00 10.00 C ATOM 781 CG LEU A 53 47.812 -24.532 1.450 1.00 10.00 C ATOM 782 CD1 LEU A 53 48.277 -23.124 1.781 1.00 10.00 C ATOM 783 CD2 LEU A 53 48.845 -25.116 0.488 1.00 10.00 C ATOM 0 H LEU A 53 47.933 -26.861 4.610 1.00 10.00 H new ATOM 0 HA LEU A 53 48.217 -23.985 4.100 1.00 10.00 H new ATOM 0 HB2 LEU A 53 48.638 -26.103 2.640 1.00 10.00 H new ATOM 0 HB3 LEU A 53 46.892 -26.154 2.494 1.00 10.00 H new ATOM 0 HG LEU A 53 46.802 -24.449 1.050 1.00 10.00 H new ATOM 0 HD11 LEU A 53 48.297 -22.524 0.871 1.00 10.00 H new ATOM 0 HD12 LEU A 53 47.591 -22.673 2.498 1.00 10.00 H new ATOM 0 HD13 LEU A 53 49.278 -23.163 2.212 1.00 10.00 H new ATOM 0 HD21 LEU A 53 48.933 -24.471 -0.386 1.00 10.00 H new ATOM 0 HD22 LEU A 53 49.811 -25.183 0.988 1.00 10.00 H new ATOM 0 HD23 LEU A 53 48.529 -26.111 0.174 1.00 10.00 H new ATOM 795 N ALA A 54 45.319 -25.246 4.905 1.00 10.00 N ATOM 796 CA ALA A 54 44.043 -24.866 5.506 1.00 10.00 C ATOM 797 C ALA A 54 44.255 -23.994 6.753 1.00 10.00 C ATOM 798 O ALA A 54 43.570 -22.992 6.944 1.00 10.00 O ATOM 799 CB ALA A 54 43.274 -26.144 5.886 1.00 10.00 C ATOM 0 H ALA A 54 45.469 -26.255 4.883 1.00 10.00 H new ATOM 0 HA ALA A 54 43.472 -24.283 4.784 1.00 10.00 H new ATOM 0 HB1 ALA A 54 42.319 -25.874 6.336 1.00 10.00 H new ATOM 0 HB2 ALA A 54 43.098 -26.742 4.992 1.00 10.00 H new ATOM 0 HB3 ALA A 54 43.860 -26.723 6.600 1.00 10.00 H new ATOM 805 N ASN A 55 45.240 -24.356 7.576 1.00 10.00 N ATOM 806 CA ASN A 55 45.619 -23.665 8.799 1.00 10.00 C ATOM 807 C ASN A 55 46.173 -22.274 8.490 1.00 10.00 C ATOM 808 O ASN A 55 45.662 -21.271 8.979 1.00 10.00 O ATOM 809 CB ASN A 55 46.655 -24.538 9.521 1.00 10.00 C ATOM 810 CG ASN A 55 47.290 -23.907 10.731 1.00 10.00 C ATOM 811 OD1 ASN A 55 46.641 -23.567 11.707 1.00 10.00 O ATOM 812 ND2 ASN A 55 48.593 -23.766 10.691 1.00 10.00 N ATOM 0 H ASN A 55 45.819 -25.177 7.396 1.00 10.00 H new ATOM 0 HA ASN A 55 44.750 -23.515 9.440 1.00 10.00 H new ATOM 0 HB2 ASN A 55 46.175 -25.468 9.825 1.00 10.00 H new ATOM 0 HB3 ASN A 55 47.441 -24.802 8.813 1.00 10.00 H new ATOM 0 HD21 ASN A 55 49.087 -23.364 11.488 1.00 10.00 H new ATOM 0 HD22 ASN A 55 49.112 -24.058 9.863 1.00 10.00 H new ATOM 819 N TYR A 56 47.176 -22.218 7.614 1.00 10.00 N ATOM 820 CA TYR A 56 47.705 -20.966 7.058 1.00 10.00 C ATOM 821 C TYR A 56 46.624 -20.106 6.414 1.00 10.00 C ATOM 822 O TYR A 56 46.541 -18.936 6.754 1.00 10.00 O ATOM 823 CB TYR A 56 48.874 -21.318 6.128 1.00 10.00 C ATOM 824 CG TYR A 56 49.521 -20.242 5.280 1.00 10.00 C ATOM 825 CD1 TYR A 56 50.619 -19.514 5.783 1.00 10.00 C ATOM 826 CD2 TYR A 56 49.165 -20.125 3.922 1.00 10.00 C ATOM 827 CE1 TYR A 56 51.386 -18.706 4.922 1.00 10.00 C ATOM 828 CE2 TYR A 56 49.936 -19.326 3.056 1.00 10.00 C ATOM 829 CZ TYR A 56 51.065 -18.636 3.548 1.00 10.00 C ATOM 830 OH TYR A 56 51.822 -17.888 2.698 1.00 10.00 O ATOM 0 H TYR A 56 47.652 -23.049 7.264 1.00 10.00 H new ATOM 0 HA TYR A 56 48.084 -20.329 7.857 1.00 10.00 H new ATOM 0 HB2 TYR A 56 49.657 -21.758 6.745 1.00 10.00 H new ATOM 0 HB3 TYR A 56 48.525 -22.098 5.451 1.00 10.00 H new ATOM 0 HD1 TYR A 56 50.872 -19.576 6.831 1.00 10.00 H new ATOM 0 HD2 TYR A 56 48.299 -20.649 3.545 1.00 10.00 H new ATOM 0 HE1 TYR A 56 52.219 -18.140 5.312 1.00 10.00 H new ATOM 0 HE2 TYR A 56 49.663 -19.241 2.014 1.00 10.00 H new ATOM 0 HH TYR A 56 51.458 -17.955 1.791 1.00 10.00 H new ATOM 840 N GLN A 57 45.718 -20.658 5.608 1.00 10.00 N ATOM 841 CA GLN A 57 44.611 -19.884 5.024 1.00 10.00 C ATOM 842 C GLN A 57 43.627 -19.358 6.086 1.00 10.00 C ATOM 843 O GLN A 57 43.179 -18.215 5.996 1.00 10.00 O ATOM 844 CB GLN A 57 43.863 -20.711 3.963 1.00 10.00 C ATOM 845 CG GLN A 57 44.631 -20.826 2.633 1.00 10.00 C ATOM 846 CD GLN A 57 44.784 -19.502 1.880 1.00 10.00 C ATOM 847 OE1 GLN A 57 43.951 -18.605 1.934 1.00 10.00 O ATOM 848 NE2 GLN A 57 45.861 -19.320 1.144 1.00 10.00 N ATOM 0 H GLN A 57 45.725 -21.642 5.341 1.00 10.00 H new ATOM 0 HA GLN A 57 45.060 -19.014 4.545 1.00 10.00 H new ATOM 0 HB2 GLN A 57 43.677 -21.711 4.355 1.00 10.00 H new ATOM 0 HB3 GLN A 57 42.890 -20.256 3.776 1.00 10.00 H new ATOM 0 HG2 GLN A 57 45.622 -21.234 2.833 1.00 10.00 H new ATOM 0 HG3 GLN A 57 44.116 -21.540 1.990 1.00 10.00 H new ATOM 0 HE21 GLN A 57 46.568 -20.053 1.084 1.00 10.00 H new ATOM 0 HE22 GLN A 57 45.988 -18.446 0.634 1.00 10.00 H new ATOM 857 N MET A 58 43.314 -20.150 7.117 1.00 10.00 N ATOM 858 CA MET A 58 42.420 -19.769 8.219 1.00 10.00 C ATOM 859 C MET A 58 43.016 -18.674 9.111 1.00 10.00 C ATOM 860 O MET A 58 42.349 -17.685 9.419 1.00 10.00 O ATOM 861 CB MET A 58 42.091 -21.026 9.037 1.00 10.00 C ATOM 862 CG MET A 58 41.170 -20.765 10.234 1.00 10.00 C ATOM 863 SD MET A 58 40.793 -22.234 11.233 1.00 10.00 S ATOM 864 CE MET A 58 42.403 -22.525 12.023 1.00 10.00 C ATOM 0 H MET A 58 43.683 -21.096 7.212 1.00 10.00 H new ATOM 0 HA MET A 58 41.509 -19.346 7.795 1.00 10.00 H new ATOM 0 HB2 MET A 58 41.621 -21.760 8.383 1.00 10.00 H new ATOM 0 HB3 MET A 58 43.021 -21.468 9.396 1.00 10.00 H new ATOM 0 HG2 MET A 58 41.633 -20.015 10.875 1.00 10.00 H new ATOM 0 HG3 MET A 58 40.235 -20.340 9.870 1.00 10.00 H new ATOM 0 HE1 MET A 58 42.299 -23.294 12.789 1.00 10.00 H new ATOM 0 HE2 MET A 58 43.122 -22.855 11.273 1.00 10.00 H new ATOM 0 HE3 MET A 58 42.756 -21.601 12.482 1.00 10.00 H new ATOM 874 N ILE A 59 44.284 -18.815 9.496 1.00 10.00 N ATOM 875 CA ILE A 59 45.014 -17.820 10.269 1.00 10.00 C ATOM 876 C ILE A 59 45.250 -16.574 9.417 1.00 10.00 C ATOM 877 O ILE A 59 45.143 -15.464 9.927 1.00 10.00 O ATOM 878 CB ILE A 59 46.309 -18.472 10.788 1.00 10.00 C ATOM 879 CG1 ILE A 59 45.995 -19.602 11.799 1.00 10.00 C ATOM 880 CG2 ILE A 59 47.217 -17.458 11.480 1.00 10.00 C ATOM 881 CD1 ILE A 59 47.236 -20.405 12.193 1.00 10.00 C ATOM 0 H ILE A 59 44.840 -19.641 9.273 1.00 10.00 H new ATOM 0 HA ILE A 59 44.444 -17.484 11.136 1.00 10.00 H new ATOM 0 HB ILE A 59 46.819 -18.878 9.915 1.00 10.00 H new ATOM 0 HG12 ILE A 59 45.548 -19.169 12.694 1.00 10.00 H new ATOM 0 HG13 ILE A 59 45.254 -20.275 11.367 1.00 10.00 H new ATOM 0 HG21 ILE A 59 48.119 -17.958 11.832 1.00 10.00 H new ATOM 0 HG22 ILE A 59 47.489 -16.672 10.775 1.00 10.00 H new ATOM 0 HG23 ILE A 59 46.692 -17.019 12.328 1.00 10.00 H new ATOM 0 HD11 ILE A 59 46.956 -21.183 12.903 1.00 10.00 H new ATOM 0 HD12 ILE A 59 47.670 -20.864 11.305 1.00 10.00 H new ATOM 0 HD13 ILE A 59 47.968 -19.741 12.652 1.00 10.00 H new ATOM 893 N MET A 60 45.487 -16.721 8.111 1.00 10.00 N ATOM 894 CA MET A 60 45.633 -15.588 7.201 1.00 10.00 C ATOM 895 C MET A 60 44.327 -14.813 6.993 1.00 10.00 C ATOM 896 O MET A 60 44.344 -13.586 6.902 1.00 10.00 O ATOM 897 CB MET A 60 46.221 -16.040 5.867 1.00 10.00 C ATOM 898 CG MET A 60 46.891 -14.862 5.170 1.00 10.00 C ATOM 899 SD MET A 60 47.817 -15.320 3.686 1.00 10.00 S ATOM 900 CE MET A 60 49.170 -16.188 4.521 1.00 10.00 C ATOM 0 H MET A 60 45.583 -17.630 7.657 1.00 10.00 H new ATOM 0 HA MET A 60 46.327 -14.894 7.675 1.00 10.00 H new ATOM 0 HB2 MET A 60 46.946 -16.837 6.031 1.00 10.00 H new ATOM 0 HB3 MET A 60 45.435 -16.450 5.233 1.00 10.00 H new ATOM 0 HG2 MET A 60 46.129 -14.131 4.900 1.00 10.00 H new ATOM 0 HG3 MET A 60 47.567 -14.373 5.872 1.00 10.00 H new ATOM 0 HE1 MET A 60 50.063 -16.157 3.896 1.00 10.00 H new ATOM 0 HE2 MET A 60 49.378 -15.705 5.476 1.00 10.00 H new ATOM 0 HE3 MET A 60 48.885 -17.226 4.694 1.00 10.00 H new ATOM 910 N SER A 61 43.189 -15.510 6.987 1.00 10.00 N ATOM 911 CA SER A 61 41.849 -14.904 6.980 1.00 10.00 C ATOM 912 C SER A 61 41.599 -14.040 8.226 1.00 10.00 C ATOM 913 O SER A 61 40.950 -12.998 8.132 1.00 10.00 O ATOM 914 CB SER A 61 40.765 -15.985 6.862 1.00 10.00 C ATOM 915 OG SER A 61 40.834 -16.627 5.599 1.00 10.00 O ATOM 0 H SER A 61 43.169 -16.530 6.987 1.00 10.00 H new ATOM 0 HA SER A 61 41.799 -14.251 6.109 1.00 10.00 H new ATOM 0 HB2 SER A 61 40.889 -16.720 7.657 1.00 10.00 H new ATOM 0 HB3 SER A 61 39.781 -15.536 6.994 1.00 10.00 H new ATOM 0 HG SER A 61 41.612 -17.223 5.577 1.00 10.00 H new ATOM 921 N GLU A 62 42.158 -14.421 9.381 1.00 10.00 N ATOM 922 CA GLU A 62 42.152 -13.598 10.599 1.00 10.00 C ATOM 923 C GLU A 62 43.203 -12.474 10.561 1.00 10.00 C ATOM 924 O GLU A 62 42.903 -11.330 10.903 1.00 10.00 O ATOM 925 CB GLU A 62 42.330 -14.513 11.825 1.00 10.00 C ATOM 926 CG GLU A 62 42.129 -13.745 13.139 1.00 10.00 C ATOM 927 CD GLU A 62 41.997 -14.706 14.336 1.00 10.00 C ATOM 928 OE1 GLU A 62 40.866 -15.174 14.618 1.00 10.00 O ATOM 929 OE2 GLU A 62 43.014 -14.988 15.013 1.00 10.00 O ATOM 0 H GLU A 62 42.632 -15.317 9.499 1.00 10.00 H new ATOM 0 HA GLU A 62 41.190 -13.090 10.668 1.00 10.00 H new ATOM 0 HB2 GLU A 62 41.617 -15.336 11.772 1.00 10.00 H new ATOM 0 HB3 GLU A 62 43.327 -14.953 11.809 1.00 10.00 H new ATOM 0 HG2 GLU A 62 42.971 -13.072 13.302 1.00 10.00 H new ATOM 0 HG3 GLU A 62 41.235 -13.125 13.067 1.00 10.00 H new ATOM 936 N TYR A 63 44.415 -12.772 10.085 1.00 10.00 N ATOM 937 CA TYR A 63 45.528 -11.826 9.937 1.00 10.00 C ATOM 938 C TYR A 63 45.164 -10.633 9.057 1.00 10.00 C ATOM 939 O TYR A 63 45.392 -9.486 9.438 1.00 10.00 O ATOM 940 CB TYR A 63 46.740 -12.581 9.368 1.00 10.00 C ATOM 941 CG TYR A 63 47.957 -11.759 8.988 1.00 10.00 C ATOM 942 CD1 TYR A 63 48.897 -11.378 9.964 1.00 10.00 C ATOM 943 CD2 TYR A 63 48.216 -11.505 7.625 1.00 10.00 C ATOM 944 CE1 TYR A 63 50.111 -10.778 9.575 1.00 10.00 C ATOM 945 CE2 TYR A 63 49.432 -10.917 7.233 1.00 10.00 C ATOM 946 CZ TYR A 63 50.393 -10.570 8.207 1.00 10.00 C ATOM 947 OH TYR A 63 51.581 -10.028 7.821 1.00 10.00 O ATOM 0 H TYR A 63 44.659 -13.714 9.780 1.00 10.00 H new ATOM 0 HA TYR A 63 45.769 -11.416 10.918 1.00 10.00 H new ATOM 0 HB2 TYR A 63 47.051 -13.323 10.104 1.00 10.00 H new ATOM 0 HB3 TYR A 63 46.412 -13.127 8.483 1.00 10.00 H new ATOM 0 HD1 TYR A 63 48.688 -11.545 11.010 1.00 10.00 H new ATOM 0 HD2 TYR A 63 47.478 -11.763 6.880 1.00 10.00 H new ATOM 0 HE1 TYR A 63 50.828 -10.476 10.325 1.00 10.00 H new ATOM 0 HE2 TYR A 63 49.630 -10.731 6.188 1.00 10.00 H new ATOM 0 HH TYR A 63 51.606 -9.957 6.844 1.00 10.00 H new ATOM 957 N ASN A 64 44.559 -10.896 7.899 1.00 10.00 N ATOM 958 CA ASN A 64 44.306 -9.893 6.866 1.00 10.00 C ATOM 959 C ASN A 64 43.383 -8.746 7.338 1.00 10.00 C ATOM 960 O ASN A 64 43.545 -7.603 6.902 1.00 10.00 O ATOM 961 CB ASN A 64 43.747 -10.612 5.626 1.00 10.00 C ATOM 962 CG ASN A 64 43.517 -9.665 4.460 1.00 10.00 C ATOM 963 OD1 ASN A 64 42.402 -9.250 4.174 1.00 10.00 O ATOM 964 ND2 ASN A 64 44.560 -9.287 3.753 1.00 10.00 N ATOM 0 H ASN A 64 44.226 -11.827 7.649 1.00 10.00 H new ATOM 0 HA ASN A 64 45.247 -9.401 6.620 1.00 10.00 H new ATOM 0 HB2 ASN A 64 44.440 -11.397 5.322 1.00 10.00 H new ATOM 0 HB3 ASN A 64 42.807 -11.099 5.885 1.00 10.00 H new ATOM 0 HD21 ASN A 64 44.439 -8.648 2.967 1.00 10.00 H new ATOM 0 HD22 ASN A 64 45.490 -9.633 3.991 1.00 10.00 H new ATOM 1108 N VAL A 74 53.347 0.228 10.191 1.00 10.00 N ATOM 1109 CA VAL A 74 54.423 -0.273 9.331 1.00 10.00 C ATOM 1110 C VAL A 74 54.993 0.819 8.423 1.00 10.00 C ATOM 1111 O VAL A 74 56.209 0.861 8.252 1.00 10.00 O ATOM 1112 CB VAL A 74 53.907 -1.493 8.545 1.00 10.00 C ATOM 1113 CG1 VAL A 74 54.713 -1.821 7.293 1.00 10.00 C ATOM 1114 CG2 VAL A 74 53.909 -2.731 9.446 1.00 10.00 C ATOM 0 HA VAL A 74 55.261 -0.590 9.953 1.00 10.00 H new ATOM 0 HB VAL A 74 52.901 -1.224 8.222 1.00 10.00 H new ATOM 0 HG11 VAL A 74 54.282 -2.693 6.801 1.00 10.00 H new ATOM 0 HG12 VAL A 74 54.689 -0.970 6.612 1.00 10.00 H new ATOM 0 HG13 VAL A 74 55.745 -2.035 7.570 1.00 10.00 H new ATOM 0 HG21 VAL A 74 53.543 -3.590 8.884 1.00 10.00 H new ATOM 0 HG22 VAL A 74 54.924 -2.928 9.791 1.00 10.00 H new ATOM 0 HG23 VAL A 74 53.261 -2.557 10.305 1.00 10.00 H new ATOM 1124 N LYS A 75 54.180 1.746 7.897 1.00 10.00 N ATOM 1125 CA LYS A 75 54.660 2.879 7.078 1.00 10.00 C ATOM 1126 C LYS A 75 55.743 3.710 7.791 1.00 10.00 C ATOM 1127 O LYS A 75 56.758 4.050 7.184 1.00 10.00 O ATOM 1128 CB LYS A 75 53.451 3.742 6.662 1.00 10.00 C ATOM 1129 CG LYS A 75 53.791 4.948 5.763 1.00 10.00 C ATOM 1130 CD LYS A 75 54.475 4.603 4.426 1.00 10.00 C ATOM 1131 CE LYS A 75 53.650 3.687 3.506 1.00 10.00 C ATOM 1132 NZ LYS A 75 52.438 4.364 2.970 1.00 10.00 N ATOM 0 H LYS A 75 53.168 1.735 8.025 1.00 10.00 H new ATOM 0 HA LYS A 75 55.144 2.482 6.186 1.00 10.00 H new ATOM 0 HB2 LYS A 75 52.734 3.109 6.139 1.00 10.00 H new ATOM 0 HB3 LYS A 75 52.957 4.107 7.562 1.00 10.00 H new ATOM 0 HG2 LYS A 75 52.871 5.493 5.551 1.00 10.00 H new ATOM 0 HG3 LYS A 75 54.440 5.623 6.320 1.00 10.00 H new ATOM 0 HD2 LYS A 75 54.694 5.529 3.894 1.00 10.00 H new ATOM 0 HD3 LYS A 75 55.431 4.122 4.635 1.00 10.00 H new ATOM 0 HE2 LYS A 75 54.273 3.353 2.676 1.00 10.00 H new ATOM 0 HE3 LYS A 75 53.351 2.796 4.058 1.00 10.00 H new ATOM 0 HZ1 LYS A 75 51.916 3.706 2.356 1.00 10.00 H new ATOM 0 HZ2 LYS A 75 51.828 4.660 3.759 1.00 10.00 H new ATOM 0 HZ3 LYS A 75 52.722 5.200 2.420 1.00 10.00 H new ATOM 1146 N SER A 76 55.566 3.961 9.089 1.00 10.00 N ATOM 1147 CA SER A 76 56.517 4.693 9.947 1.00 10.00 C ATOM 1148 C SER A 76 57.792 3.907 10.305 1.00 10.00 C ATOM 1149 O SER A 76 58.732 4.495 10.846 1.00 10.00 O ATOM 1150 CB SER A 76 55.821 5.130 11.242 1.00 10.00 C ATOM 1151 OG SER A 76 54.690 5.938 10.947 1.00 10.00 O ATOM 0 H SER A 76 54.734 3.654 9.593 1.00 10.00 H new ATOM 0 HA SER A 76 56.839 5.552 9.358 1.00 10.00 H new ATOM 0 HB2 SER A 76 55.511 4.253 11.810 1.00 10.00 H new ATOM 0 HB3 SER A 76 56.519 5.685 11.868 1.00 10.00 H new ATOM 0 HG SER A 76 54.254 6.208 11.782 1.00 10.00 H new ATOM 1157 N MET A 77 57.856 2.605 9.996 1.00 10.00 N ATOM 1158 CA MET A 77 58.997 1.724 10.293 1.00 10.00 C ATOM 1159 C MET A 77 59.722 1.260 9.021 1.00 10.00 C ATOM 1160 O MET A 77 60.952 1.251 8.989 1.00 10.00 O ATOM 1161 CB MET A 77 58.495 0.531 11.127 1.00 10.00 C ATOM 1162 CG MET A 77 59.617 -0.423 11.561 1.00 10.00 C ATOM 1163 SD MET A 77 60.915 0.327 12.586 1.00 10.00 S ATOM 1164 CE MET A 77 62.006 -1.108 12.779 1.00 10.00 C ATOM 0 H MET A 77 57.095 2.121 9.519 1.00 10.00 H new ATOM 0 HA MET A 77 59.735 2.285 10.866 1.00 10.00 H new ATOM 0 HB2 MET A 77 57.984 0.906 12.014 1.00 10.00 H new ATOM 0 HB3 MET A 77 57.759 -0.025 10.546 1.00 10.00 H new ATOM 0 HG2 MET A 77 59.174 -1.252 12.113 1.00 10.00 H new ATOM 0 HG3 MET A 77 60.079 -0.845 10.668 1.00 10.00 H new ATOM 0 HE1 MET A 77 62.867 -0.831 13.387 1.00 10.00 H new ATOM 0 HE2 MET A 77 61.461 -1.916 13.267 1.00 10.00 H new ATOM 0 HE3 MET A 77 62.347 -1.441 11.798 1.00 10.00 H new ATOM 1174 N LYS A 78 58.992 0.950 7.941 1.00 10.00 N ATOM 1175 CA LYS A 78 59.544 0.596 6.621 1.00 10.00 C ATOM 1176 C LYS A 78 60.440 1.697 6.042 1.00 10.00 C ATOM 1177 O LYS A 78 61.460 1.399 5.426 1.00 10.00 O ATOM 1178 CB LYS A 78 58.388 0.216 5.679 1.00 10.00 C ATOM 1179 CG LYS A 78 58.897 -0.314 4.326 1.00 10.00 C ATOM 1180 CD LYS A 78 57.779 -0.850 3.419 1.00 10.00 C ATOM 1181 CE LYS A 78 57.179 -2.159 3.953 1.00 10.00 C ATOM 1182 NZ LYS A 78 56.190 -2.730 3.001 1.00 10.00 N ATOM 0 H LYS A 78 57.972 0.937 7.959 1.00 10.00 H new ATOM 0 HA LYS A 78 60.200 -0.267 6.735 1.00 10.00 H new ATOM 0 HB2 LYS A 78 57.767 -0.543 6.155 1.00 10.00 H new ATOM 0 HB3 LYS A 78 57.755 1.087 5.512 1.00 10.00 H new ATOM 0 HG2 LYS A 78 59.424 0.486 3.806 1.00 10.00 H new ATOM 0 HG3 LYS A 78 59.621 -1.109 4.505 1.00 10.00 H new ATOM 0 HD2 LYS A 78 56.993 -0.100 3.332 1.00 10.00 H new ATOM 0 HD3 LYS A 78 58.174 -1.015 2.417 1.00 10.00 H new ATOM 0 HE2 LYS A 78 57.976 -2.881 4.129 1.00 10.00 H new ATOM 0 HE3 LYS A 78 56.698 -1.975 4.914 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 55.803 -3.613 3.391 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 55.418 -2.049 2.853 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 56.656 -2.927 2.093 1.00 10.00 H new ATOM 1196 N ASP A 79 60.116 2.961 6.318 1.00 10.00 N ATOM 1197 CA ASP A 79 60.940 4.130 5.978 1.00 10.00 C ATOM 1198 C ASP A 79 62.363 4.093 6.588 1.00 10.00 C ATOM 1199 O ASP A 79 63.289 4.683 6.029 1.00 10.00 O ATOM 1200 CB ASP A 79 60.184 5.394 6.415 1.00 10.00 C ATOM 1201 CG ASP A 79 60.865 6.685 5.927 1.00 10.00 C ATOM 1202 OD1 ASP A 79 60.899 6.921 4.694 1.00 10.00 O ATOM 1203 OD2 ASP A 79 61.334 7.483 6.773 1.00 10.00 O ATOM 0 H ASP A 79 59.251 3.210 6.797 1.00 10.00 H new ATOM 0 HA ASP A 79 61.099 4.126 4.900 1.00 10.00 H new ATOM 0 HB2 ASP A 79 59.165 5.356 6.029 1.00 10.00 H new ATOM 0 HB3 ASP A 79 60.113 5.413 7.502 1.00 10.00 H new ATOM 1208 N ILE A 80 62.554 3.358 7.693 1.00 10.00 N ATOM 1209 CA ILE A 80 63.855 3.119 8.342 1.00 10.00 C ATOM 1210 C ILE A 80 64.423 1.750 7.938 1.00 10.00 C ATOM 1211 O ILE A 80 65.592 1.644 7.566 1.00 10.00 O ATOM 1212 CB ILE A 80 63.716 3.229 9.882 1.00 10.00 C ATOM 1213 CG1 ILE A 80 63.042 4.540 10.354 1.00 10.00 C ATOM 1214 CG2 ILE A 80 65.082 3.060 10.572 1.00 10.00 C ATOM 1215 CD1 ILE A 80 63.751 5.837 9.939 1.00 10.00 C ATOM 0 H ILE A 80 61.783 2.898 8.177 1.00 10.00 H new ATOM 0 HA ILE A 80 64.555 3.883 8.005 1.00 10.00 H new ATOM 0 HB ILE A 80 63.054 2.414 10.176 1.00 10.00 H new ATOM 0 HG12 ILE A 80 62.023 4.564 9.966 1.00 10.00 H new ATOM 0 HG13 ILE A 80 62.969 4.519 11.441 1.00 10.00 H new ATOM 0 HG21 ILE A 80 64.957 3.141 11.652 1.00 10.00 H new ATOM 0 HG22 ILE A 80 65.495 2.081 10.327 1.00 10.00 H new ATOM 0 HG23 ILE A 80 65.763 3.838 10.226 1.00 10.00 H new ATOM 0 HD11 ILE A 80 63.196 6.694 10.321 1.00 10.00 H new ATOM 0 HD12 ILE A 80 64.761 5.847 10.349 1.00 10.00 H new ATOM 0 HD13 ILE A 80 63.801 5.893 8.852 1.00 10.00 H new ATOM 1227 N ASP A 81 63.591 0.707 7.951 1.00 10.00 N ATOM 1228 CA ASP A 81 63.963 -0.675 7.608 1.00 10.00 C ATOM 1229 C ASP A 81 64.493 -0.831 6.169 1.00 10.00 C ATOM 1230 O ASP A 81 65.354 -1.671 5.912 1.00 10.00 O ATOM 1231 CB ASP A 81 62.753 -1.584 7.857 1.00 10.00 C ATOM 1232 CG ASP A 81 63.102 -3.077 7.754 1.00 10.00 C ATOM 1233 OD1 ASP A 81 63.870 -3.579 8.608 1.00 10.00 O ATOM 1234 OD2 ASP A 81 62.566 -3.758 6.847 1.00 10.00 O ATOM 0 H ASP A 81 62.608 0.799 8.208 1.00 10.00 H new ATOM 0 HA ASP A 81 64.795 -0.967 8.249 1.00 10.00 H new ATOM 0 HB2 ASP A 81 62.346 -1.378 8.847 1.00 10.00 H new ATOM 0 HB3 ASP A 81 61.971 -1.347 7.135 1.00 10.00 H new ATOM 1239 N SER A 82 64.064 0.038 5.245 1.00 10.00 N ATOM 1240 CA SER A 82 64.602 0.168 3.880 1.00 10.00 C ATOM 1241 C SER A 82 66.136 0.326 3.827 1.00 10.00 C ATOM 1242 O SER A 82 66.775 -0.109 2.867 1.00 10.00 O ATOM 1243 CB SER A 82 63.913 1.355 3.192 1.00 10.00 C ATOM 1244 OG SER A 82 64.282 1.452 1.826 1.00 10.00 O ATOM 0 H SER A 82 63.306 0.694 5.432 1.00 10.00 H new ATOM 0 HA SER A 82 64.389 -0.763 3.355 1.00 10.00 H new ATOM 0 HB2 SER A 82 62.831 1.244 3.270 1.00 10.00 H new ATOM 0 HB3 SER A 82 64.177 2.278 3.707 1.00 10.00 H new ATOM 0 HG SER A 82 63.825 2.217 1.417 1.00 10.00 H new ATOM 1250 N SER A 83 66.751 0.868 4.888 1.00 10.00 N ATOM 1251 CA SER A 83 68.212 0.975 5.055 1.00 10.00 C ATOM 1252 C SER A 83 68.941 -0.386 5.131 1.00 10.00 C ATOM 1253 O SER A 83 70.158 -0.447 4.931 1.00 10.00 O ATOM 1254 CB SER A 83 68.503 1.811 6.311 1.00 10.00 C ATOM 1255 OG SER A 83 69.842 2.278 6.349 1.00 10.00 O ATOM 0 H SER A 83 66.234 1.256 5.677 1.00 10.00 H new ATOM 0 HA SER A 83 68.604 1.460 4.161 1.00 10.00 H new ATOM 0 HB2 SER A 83 67.823 2.662 6.344 1.00 10.00 H new ATOM 0 HB3 SER A 83 68.305 1.210 7.199 1.00 10.00 H new ATOM 0 HG SER A 83 70.422 1.647 5.875 1.00 10.00 H new