USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=11 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 -163:sc= -1.97 (180deg=-3.71!) USER MOD Set 2.1: A 42 ASN : amide:sc= -0.0219 X(o=-0.31,f=-0.12) USER MOD Set 2.2: A 55 ASN : amide:sc= -0.284 X(o=-0.31,f=-0.12) 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 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 44 THR OG1 : rot 69: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=-4.2!) 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 57 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.34) USER MOD Single : A 58 MET CE :methyl -176:sc= -0.0241 (180deg=-0.0563) USER MOD Single : A 61 SER OG : rot 74:sc= 0.889 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 86:sc= 0.00548 USER MOD Single : A 83 SER OG : rot -90:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 461 N LEU A 32 49.820 -12.237 16.355 1.00 10.00 N ATOM 462 CA LEU A 32 49.091 -12.795 15.219 1.00 10.00 C ATOM 463 C LEU A 32 50.063 -13.150 14.081 1.00 10.00 C ATOM 464 O LEU A 32 49.936 -14.184 13.429 1.00 10.00 O ATOM 465 CB LEU A 32 48.047 -11.744 14.797 1.00 10.00 C ATOM 466 CG LEU A 32 46.708 -12.309 14.289 1.00 10.00 C ATOM 467 CD1 LEU A 32 45.810 -11.144 13.867 1.00 10.00 C ATOM 468 CD2 LEU A 32 46.871 -13.265 13.110 1.00 10.00 C ATOM 0 HA LEU A 32 48.586 -13.724 15.482 1.00 10.00 H new ATOM 0 HB2 LEU A 32 47.847 -11.093 15.648 1.00 10.00 H new ATOM 0 HB3 LEU A 32 48.480 -11.121 14.014 1.00 10.00 H new ATOM 0 HG LEU A 32 46.265 -12.880 15.105 1.00 10.00 H new ATOM 0 HD11 LEU A 32 44.858 -11.531 13.505 1.00 10.00 H new ATOM 0 HD12 LEU A 32 45.635 -10.491 14.722 1.00 10.00 H new ATOM 0 HD13 LEU A 32 46.297 -10.578 13.073 1.00 10.00 H new ATOM 0 HD21 LEU A 32 45.892 -13.629 12.798 1.00 10.00 H new ATOM 0 HD22 LEU A 32 47.345 -12.741 12.280 1.00 10.00 H new ATOM 0 HD23 LEU A 32 47.493 -14.109 13.409 1.00 10.00 H new ATOM 480 N ASN A 33 51.103 -12.333 13.901 1.00 10.00 N ATOM 481 CA ASN A 33 52.191 -12.622 12.965 1.00 10.00 C ATOM 482 C ASN A 33 53.001 -13.870 13.374 1.00 10.00 C ATOM 483 O ASN A 33 53.392 -14.653 12.511 1.00 10.00 O ATOM 484 CB ASN A 33 53.067 -11.369 12.815 1.00 10.00 C ATOM 485 CG ASN A 33 54.128 -11.547 11.744 1.00 10.00 C ATOM 486 OD1 ASN A 33 55.286 -11.805 12.033 1.00 10.00 O ATOM 487 ND2 ASN A 33 53.778 -11.430 10.484 1.00 10.00 N ATOM 0 H ASN A 33 51.214 -11.451 14.401 1.00 10.00 H new ATOM 0 HA ASN A 33 51.766 -12.868 11.992 1.00 10.00 H new ATOM 0 HB2 ASN A 33 52.439 -10.514 12.565 1.00 10.00 H new ATOM 0 HB3 ASN A 33 53.547 -11.145 13.768 1.00 10.00 H new ATOM 0 HD21 ASN A 33 54.473 -11.555 9.748 1.00 10.00 H new ATOM 0 HD22 ASN A 33 52.811 -11.215 10.241 1.00 10.00 H new ATOM 494 N LYS A 34 53.195 -14.109 14.677 1.00 10.00 N ATOM 495 CA LYS A 34 53.811 -15.331 15.227 1.00 10.00 C ATOM 496 C LYS A 34 52.906 -16.560 15.086 1.00 10.00 C ATOM 497 O LYS A 34 53.398 -17.627 14.726 1.00 10.00 O ATOM 498 CB LYS A 34 54.245 -15.080 16.682 1.00 10.00 C ATOM 499 CG LYS A 34 55.076 -16.231 17.271 1.00 10.00 C ATOM 500 CD LYS A 34 55.547 -15.884 18.690 1.00 10.00 C ATOM 501 CE LYS A 34 56.371 -17.036 19.278 1.00 10.00 C ATOM 502 NZ LYS A 34 56.824 -16.735 20.661 1.00 10.00 N ATOM 0 H LYS A 34 52.922 -13.443 15.400 1.00 10.00 H new ATOM 0 HA LYS A 34 54.699 -15.563 14.639 1.00 10.00 H new ATOM 0 HB2 LYS A 34 54.827 -14.159 16.727 1.00 10.00 H new ATOM 0 HB3 LYS A 34 53.359 -14.928 17.298 1.00 10.00 H new ATOM 0 HG2 LYS A 34 54.480 -17.143 17.292 1.00 10.00 H new ATOM 0 HG3 LYS A 34 55.938 -16.428 16.634 1.00 10.00 H new ATOM 0 HD2 LYS A 34 56.147 -14.974 18.668 1.00 10.00 H new ATOM 0 HD3 LYS A 34 54.685 -15.683 19.327 1.00 10.00 H new ATOM 0 HE2 LYS A 34 55.773 -17.947 19.281 1.00 10.00 H new ATOM 0 HE3 LYS A 34 57.237 -17.225 18.644 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 57.378 -17.536 21.027 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 57.415 -15.879 20.654 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 55.996 -16.579 21.271 1.00 10.00 H new ATOM 516 N GLN A 35 51.590 -16.414 15.265 1.00 10.00 N ATOM 517 CA GLN A 35 50.607 -17.468 14.945 1.00 10.00 C ATOM 518 C GLN A 35 50.682 -17.866 13.463 1.00 10.00 C ATOM 519 O GLN A 35 50.659 -19.045 13.115 1.00 10.00 O ATOM 520 CB GLN A 35 49.170 -17.014 15.264 1.00 10.00 C ATOM 521 CG GLN A 35 48.843 -16.902 16.759 1.00 10.00 C ATOM 522 CD GLN A 35 47.404 -16.426 16.977 1.00 10.00 C ATOM 523 OE1 GLN A 35 46.447 -17.022 16.499 1.00 10.00 O ATOM 524 NE2 GLN A 35 47.167 -15.345 17.690 1.00 10.00 N ATOM 0 H GLN A 35 51.170 -15.562 15.636 1.00 10.00 H new ATOM 0 HA GLN A 35 50.857 -18.328 15.566 1.00 10.00 H new ATOM 0 HB2 GLN A 35 48.999 -16.044 14.796 1.00 10.00 H new ATOM 0 HB3 GLN A 35 48.473 -17.716 14.806 1.00 10.00 H new ATOM 0 HG2 GLN A 35 48.985 -17.870 17.239 1.00 10.00 H new ATOM 0 HG3 GLN A 35 49.535 -16.207 17.234 1.00 10.00 H new ATOM 0 HE21 GLN A 35 47.942 -14.826 18.102 1.00 10.00 H new ATOM 0 HE22 GLN A 35 46.208 -15.027 17.831 1.00 10.00 H new ATOM 533 N LEU A 36 50.816 -16.874 12.584 1.00 10.00 N ATOM 534 CA LEU A 36 50.934 -17.067 11.141 1.00 10.00 C ATOM 535 C LEU A 36 52.283 -17.657 10.720 1.00 10.00 C ATOM 536 O LEU A 36 52.324 -18.521 9.851 1.00 10.00 O ATOM 537 CB LEU A 36 50.646 -15.733 10.473 1.00 10.00 C ATOM 538 CG LEU A 36 50.502 -15.858 8.954 1.00 10.00 C ATOM 539 CD1 LEU A 36 49.415 -16.808 8.454 1.00 10.00 C ATOM 540 CD2 LEU A 36 50.113 -14.471 8.489 1.00 10.00 C ATOM 0 H LEU A 36 50.846 -15.893 12.862 1.00 10.00 H new ATOM 0 HA LEU A 36 50.207 -17.811 10.815 1.00 10.00 H new ATOM 0 HB2 LEU A 36 49.730 -15.312 10.888 1.00 10.00 H new ATOM 0 HB3 LEU A 36 51.450 -15.034 10.702 1.00 10.00 H new ATOM 0 HG LEU A 36 51.439 -16.261 8.571 1.00 10.00 H new ATOM 0 HD11 LEU A 36 49.409 -16.813 7.364 1.00 10.00 H new ATOM 0 HD12 LEU A 36 49.615 -17.815 8.820 1.00 10.00 H new ATOM 0 HD13 LEU A 36 48.444 -16.475 8.821 1.00 10.00 H new ATOM 0 HD21 LEU A 36 49.989 -14.472 7.406 1.00 10.00 H new ATOM 0 HD22 LEU A 36 49.175 -14.179 8.961 1.00 10.00 H new ATOM 0 HD23 LEU A 36 50.894 -13.763 8.764 1.00 10.00 H new ATOM 552 N GLN A 37 53.375 -17.253 11.368 1.00 10.00 N ATOM 553 CA GLN A 37 54.699 -17.857 11.197 1.00 10.00 C ATOM 554 C GLN A 37 54.723 -19.315 11.682 1.00 10.00 C ATOM 555 O GLN A 37 55.363 -20.160 11.060 1.00 10.00 O ATOM 556 CB GLN A 37 55.723 -16.986 11.945 1.00 10.00 C ATOM 557 CG GLN A 37 57.182 -17.435 11.764 1.00 10.00 C ATOM 558 CD GLN A 37 58.173 -16.500 12.462 1.00 10.00 C ATOM 559 OE1 GLN A 37 57.877 -15.830 13.445 1.00 10.00 O ATOM 560 NE2 GLN A 37 59.390 -16.394 11.973 1.00 10.00 N ATOM 0 H GLN A 37 53.366 -16.484 12.038 1.00 10.00 H new ATOM 0 HA GLN A 37 54.955 -17.891 10.138 1.00 10.00 H new ATOM 0 HB2 GLN A 37 55.626 -15.956 11.602 1.00 10.00 H new ATOM 0 HB3 GLN A 37 55.482 -16.993 13.008 1.00 10.00 H new ATOM 0 HG2 GLN A 37 57.300 -18.444 12.158 1.00 10.00 H new ATOM 0 HG3 GLN A 37 57.416 -17.479 10.700 1.00 10.00 H new ATOM 0 HE21 GLN A 37 59.661 -16.941 11.156 1.00 10.00 H new ATOM 0 HE22 GLN A 37 60.063 -15.765 12.411 1.00 10.00 H new ATOM 569 N ASP A 38 53.977 -19.641 12.739 1.00 10.00 N ATOM 570 CA ASP A 38 53.750 -21.025 13.164 1.00 10.00 C ATOM 571 C ASP A 38 52.928 -21.812 12.131 1.00 10.00 C ATOM 572 O ASP A 38 53.294 -22.940 11.801 1.00 10.00 O ATOM 573 CB ASP A 38 53.112 -21.061 14.560 1.00 10.00 C ATOM 574 CG ASP A 38 53.022 -22.494 15.113 1.00 10.00 C ATOM 575 OD1 ASP A 38 54.083 -23.122 15.341 1.00 10.00 O ATOM 576 OD2 ASP A 38 51.894 -22.984 15.356 1.00 10.00 O ATOM 0 H ASP A 38 53.511 -18.950 13.327 1.00 10.00 H new ATOM 0 HA ASP A 38 54.718 -21.522 13.228 1.00 10.00 H new ATOM 0 HB2 ASP A 38 53.697 -20.445 15.243 1.00 10.00 H new ATOM 0 HB3 ASP A 38 52.114 -20.626 14.514 1.00 10.00 H new ATOM 581 N ALA A 39 51.908 -21.192 11.517 1.00 10.00 N ATOM 582 CA ALA A 39 51.204 -21.779 10.370 1.00 10.00 C ATOM 583 C ALA A 39 52.169 -22.068 9.221 1.00 10.00 C ATOM 584 O ALA A 39 52.164 -23.159 8.662 1.00 10.00 O ATOM 585 CB ALA A 39 50.055 -20.893 9.853 1.00 10.00 C ATOM 0 H ALA A 39 51.552 -20.279 11.799 1.00 10.00 H new ATOM 0 HA ALA A 39 50.771 -22.711 10.733 1.00 10.00 H new ATOM 0 HB1 ALA A 39 49.573 -21.380 9.005 1.00 10.00 H new ATOM 0 HB2 ALA A 39 49.325 -20.743 10.648 1.00 10.00 H new ATOM 0 HB3 ALA A 39 50.453 -19.928 9.539 1.00 10.00 H new ATOM 591 N GLN A 40 53.027 -21.097 8.913 1.00 10.00 N ATOM 592 CA GLN A 40 54.041 -21.167 7.867 1.00 10.00 C ATOM 593 C GLN A 40 55.117 -22.214 8.177 1.00 10.00 C ATOM 594 O GLN A 40 55.731 -22.717 7.247 1.00 10.00 O ATOM 595 CB GLN A 40 54.660 -19.769 7.681 1.00 10.00 C ATOM 596 CG GLN A 40 55.334 -19.609 6.309 1.00 10.00 C ATOM 597 CD GLN A 40 55.876 -18.194 6.104 1.00 10.00 C ATOM 598 OE1 GLN A 40 55.141 -17.217 6.036 1.00 10.00 O ATOM 599 NE2 GLN A 40 57.178 -18.020 5.996 1.00 10.00 N ATOM 0 H GLN A 40 53.033 -20.204 9.407 1.00 10.00 H new ATOM 0 HA GLN A 40 53.566 -21.484 6.939 1.00 10.00 H new ATOM 0 HB2 GLN A 40 53.884 -19.012 7.793 1.00 10.00 H new ATOM 0 HB3 GLN A 40 55.394 -19.591 8.467 1.00 10.00 H new ATOM 0 HG2 GLN A 40 56.149 -20.327 6.219 1.00 10.00 H new ATOM 0 HG3 GLN A 40 54.616 -19.841 5.522 1.00 10.00 H new ATOM 0 HE21 GLN A 40 57.806 -18.822 6.050 1.00 10.00 H new ATOM 0 HE22 GLN A 40 57.558 -17.083 5.858 1.00 10.00 H new ATOM 608 N ALA A 41 55.361 -22.563 9.442 1.00 10.00 N ATOM 609 CA ALA A 41 56.199 -23.702 9.839 1.00 10.00 C ATOM 610 C ALA A 41 55.486 -25.056 9.768 1.00 10.00 C ATOM 611 O ALA A 41 56.101 -26.027 9.331 1.00 10.00 O ATOM 612 CB ALA A 41 56.836 -23.438 11.199 1.00 10.00 C ATOM 0 H ALA A 41 54.975 -22.053 10.237 1.00 10.00 H new ATOM 0 HA ALA A 41 56.995 -23.785 9.099 1.00 10.00 H new ATOM 0 HB1 ALA A 41 57.455 -24.289 11.482 1.00 10.00 H new ATOM 0 HB2 ALA A 41 57.455 -22.542 11.143 1.00 10.00 H new ATOM 0 HB3 ALA A 41 56.054 -23.293 11.945 1.00 10.00 H new ATOM 618 N ASN A 42 54.190 -25.141 10.099 1.00 10.00 N ATOM 619 CA ASN A 42 53.415 -26.353 9.823 1.00 10.00 C ATOM 620 C ASN A 42 53.382 -26.578 8.301 1.00 10.00 C ATOM 621 O ASN A 42 53.498 -27.706 7.819 1.00 10.00 O ATOM 622 CB ASN A 42 51.984 -26.256 10.397 1.00 10.00 C ATOM 623 CG ASN A 42 51.857 -25.801 11.844 1.00 10.00 C ATOM 624 OD1 ASN A 42 50.998 -24.999 12.179 1.00 10.00 O ATOM 625 ND2 ASN A 42 52.655 -26.317 12.753 1.00 10.00 N ATOM 0 H ASN A 42 53.664 -24.394 10.552 1.00 10.00 H new ATOM 0 HA ASN A 42 53.893 -27.202 10.312 1.00 10.00 H new ATOM 0 HB2 ASN A 42 51.413 -25.569 9.773 1.00 10.00 H new ATOM 0 HB3 ASN A 42 51.514 -27.235 10.306 1.00 10.00 H new ATOM 0 HD21 ASN A 42 52.555 -26.047 13.732 1.00 10.00 H new ATOM 0 HD22 ASN A 42 53.374 -26.987 12.479 1.00 10.00 H new ATOM 632 N LEU A 43 53.320 -25.474 7.549 1.00 10.00 N ATOM 633 CA LEU A 43 53.490 -25.433 6.115 1.00 10.00 C ATOM 634 C LEU A 43 54.928 -25.705 5.692 1.00 10.00 C ATOM 635 O LEU A 43 55.142 -26.395 4.721 1.00 10.00 O ATOM 636 CB LEU A 43 52.975 -24.077 5.589 1.00 10.00 C ATOM 637 CG LEU A 43 52.433 -24.201 4.177 1.00 10.00 C ATOM 638 CD1 LEU A 43 51.158 -25.018 4.245 1.00 10.00 C ATOM 639 CD2 LEU A 43 52.052 -22.872 3.550 1.00 10.00 C ATOM 0 H LEU A 43 53.142 -24.554 7.951 1.00 10.00 H new ATOM 0 HA LEU A 43 52.902 -26.235 5.669 1.00 10.00 H new ATOM 0 HB2 LEU A 43 52.193 -23.702 6.249 1.00 10.00 H new ATOM 0 HB3 LEU A 43 53.784 -23.347 5.607 1.00 10.00 H new ATOM 0 HG LEU A 43 53.222 -24.650 3.573 1.00 10.00 H new ATOM 0 HD11 LEU A 43 50.741 -25.126 3.244 1.00 10.00 H new ATOM 0 HD12 LEU A 43 51.379 -26.004 4.655 1.00 10.00 H new ATOM 0 HD13 LEU A 43 50.436 -24.512 4.886 1.00 10.00 H new ATOM 0 HD21 LEU A 43 51.673 -23.041 2.542 1.00 10.00 H new ATOM 0 HD22 LEU A 43 51.280 -22.393 4.152 1.00 10.00 H new ATOM 0 HD23 LEU A 43 52.929 -22.226 3.505 1.00 10.00 H new ATOM 651 N THR A 44 55.945 -25.265 6.418 1.00 10.00 N ATOM 652 CA THR A 44 57.340 -25.542 6.041 1.00 10.00 C ATOM 653 C THR A 44 57.627 -27.043 6.075 1.00 10.00 C ATOM 654 O THR A 44 58.336 -27.572 5.215 1.00 10.00 O ATOM 655 CB THR A 44 58.341 -24.809 6.935 1.00 10.00 C ATOM 656 OG1 THR A 44 58.313 -23.421 6.676 1.00 10.00 O ATOM 657 CG2 THR A 44 59.759 -25.289 6.676 1.00 10.00 C ATOM 0 H THR A 44 55.840 -24.715 7.271 1.00 10.00 H new ATOM 0 HA THR A 44 57.465 -25.171 5.024 1.00 10.00 H new ATOM 0 HB THR A 44 58.056 -25.015 7.967 1.00 10.00 H new ATOM 0 HG1 THR A 44 57.462 -23.047 6.987 1.00 10.00 H new ATOM 0 HG21 THR A 44 60.450 -24.751 7.325 1.00 10.00 H new ATOM 0 HG22 THR A 44 59.825 -26.357 6.882 1.00 10.00 H new ATOM 0 HG23 THR A 44 60.021 -25.104 5.634 1.00 10.00 H new ATOM 665 N LYS A 45 57.051 -27.739 7.060 1.00 10.00 N ATOM 666 CA LYS A 45 57.133 -29.201 7.170 1.00 10.00 C ATOM 667 C LYS A 45 56.507 -29.937 5.979 1.00 10.00 C ATOM 668 O LYS A 45 57.009 -30.993 5.590 1.00 10.00 O ATOM 669 CB LYS A 45 56.520 -29.639 8.504 1.00 10.00 C ATOM 670 CG LYS A 45 57.383 -29.250 9.716 1.00 10.00 C ATOM 671 CD LYS A 45 56.864 -29.820 11.045 1.00 10.00 C ATOM 672 CE LYS A 45 56.951 -31.353 11.092 1.00 10.00 C ATOM 673 NZ LYS A 45 56.611 -31.883 12.440 1.00 10.00 N ATOM 0 H LYS A 45 56.512 -27.303 7.808 1.00 10.00 H new ATOM 0 HA LYS A 45 58.186 -29.481 7.147 1.00 10.00 H new ATOM 0 HB2 LYS A 45 55.532 -29.190 8.609 1.00 10.00 H new ATOM 0 HB3 LYS A 45 56.380 -30.720 8.496 1.00 10.00 H new ATOM 0 HG2 LYS A 45 58.403 -29.599 9.553 1.00 10.00 H new ATOM 0 HG3 LYS A 45 57.426 -28.163 9.788 1.00 10.00 H new ATOM 0 HD2 LYS A 45 57.441 -29.400 11.869 1.00 10.00 H new ATOM 0 HD3 LYS A 45 55.829 -29.512 11.191 1.00 10.00 H new ATOM 0 HE2 LYS A 45 56.273 -31.779 10.352 1.00 10.00 H new ATOM 0 HE3 LYS A 45 57.958 -31.669 10.820 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 56.681 -32.921 12.433 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 57.273 -31.496 13.142 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 55.641 -31.603 12.689 1.00 10.00 H new ATOM 687 N ASN A 46 55.466 -29.370 5.365 1.00 10.00 N ATOM 688 CA ASN A 46 54.877 -29.817 4.111 1.00 10.00 C ATOM 689 C ASN A 46 54.221 -28.653 3.330 1.00 10.00 C ATOM 690 O ASN A 46 53.049 -28.348 3.574 1.00 10.00 O ATOM 691 CB ASN A 46 53.943 -30.980 4.428 1.00 10.00 C ATOM 692 CG ASN A 46 53.476 -31.713 3.172 1.00 10.00 C ATOM 693 OD1 ASN A 46 53.489 -31.202 2.060 1.00 10.00 O ATOM 694 ND2 ASN A 46 53.094 -32.964 3.299 1.00 10.00 N ATOM 0 H ASN A 46 54.994 -28.552 5.749 1.00 10.00 H new ATOM 0 HA ASN A 46 55.644 -30.177 3.425 1.00 10.00 H new ATOM 0 HB2 ASN A 46 54.453 -31.683 5.087 1.00 10.00 H new ATOM 0 HB3 ASN A 46 53.075 -30.607 4.971 1.00 10.00 H new ATOM 0 HD21 ASN A 46 52.813 -33.497 2.476 1.00 10.00 H new ATOM 0 HD22 ASN A 46 53.079 -33.402 4.220 1.00 10.00 H new ATOM 701 N PRO A 47 54.979 -27.962 2.444 1.00 10.00 N ATOM 702 CA PRO A 47 54.575 -26.710 1.792 1.00 10.00 C ATOM 703 C PRO A 47 53.193 -26.639 1.146 1.00 10.00 C ATOM 704 O PRO A 47 52.642 -25.541 1.052 1.00 10.00 O ATOM 705 CB PRO A 47 55.680 -26.399 0.803 1.00 10.00 C ATOM 706 CG PRO A 47 56.928 -26.890 1.528 1.00 10.00 C ATOM 707 CD PRO A 47 56.431 -28.097 2.324 1.00 10.00 C ATOM 0 HA PRO A 47 54.451 -25.964 2.577 1.00 10.00 H new ATOM 0 HB2 PRO A 47 55.532 -26.917 -0.145 1.00 10.00 H new ATOM 0 HB3 PRO A 47 55.735 -25.334 0.579 1.00 10.00 H new ATOM 0 HG2 PRO A 47 57.715 -27.169 0.827 1.00 10.00 H new ATOM 0 HG3 PRO A 47 57.340 -26.121 2.181 1.00 10.00 H new ATOM 0 HD2 PRO A 47 56.691 -29.027 1.818 1.00 10.00 H new ATOM 0 HD3 PRO A 47 56.898 -28.129 3.308 1.00 10.00 H new ATOM 715 N SER A 48 52.605 -27.767 0.741 1.00 10.00 N ATOM 716 CA SER A 48 51.234 -27.835 0.277 1.00 10.00 C ATOM 717 C SER A 48 50.360 -28.914 0.913 1.00 10.00 C ATOM 718 O SER A 48 49.390 -29.388 0.314 1.00 10.00 O ATOM 719 CB SER A 48 51.262 -27.816 -1.238 1.00 10.00 C ATOM 720 OG SER A 48 51.804 -29.013 -1.779 1.00 10.00 O ATOM 0 H SER A 48 53.083 -28.668 0.729 1.00 10.00 H new ATOM 0 HA SER A 48 50.700 -26.955 0.635 1.00 10.00 H new ATOM 0 HB2 SER A 48 50.250 -27.674 -1.617 1.00 10.00 H new ATOM 0 HB3 SER A 48 51.852 -26.965 -1.578 1.00 10.00 H new ATOM 0 HG SER A 48 51.802 -28.960 -2.758 1.00 10.00 H new ATOM 726 N ASP A 49 50.685 -29.285 2.155 1.00 10.00 N ATOM 727 CA ASP A 49 49.804 -30.103 2.994 1.00 10.00 C ATOM 728 C ASP A 49 48.506 -29.295 3.152 1.00 10.00 C ATOM 729 O ASP A 49 48.555 -28.133 3.556 1.00 10.00 O ATOM 730 CB ASP A 49 50.473 -30.448 4.334 1.00 10.00 C ATOM 731 CG ASP A 49 49.520 -31.040 5.393 1.00 10.00 C ATOM 732 OD1 ASP A 49 48.514 -30.394 5.763 1.00 10.00 O ATOM 733 OD2 ASP A 49 49.778 -32.177 5.856 1.00 10.00 O ATOM 0 H ASP A 49 51.563 -29.028 2.606 1.00 10.00 H new ATOM 0 HA ASP A 49 49.588 -31.071 2.541 1.00 10.00 H new ATOM 0 HB2 ASP A 49 51.278 -31.159 4.151 1.00 10.00 H new ATOM 0 HB3 ASP A 49 50.931 -29.546 4.740 1.00 10.00 H new ATOM 738 N PRO A 50 47.341 -29.855 2.811 1.00 10.00 N ATOM 739 CA PRO A 50 46.121 -29.077 2.708 1.00 10.00 C ATOM 740 C PRO A 50 45.549 -28.577 4.028 1.00 10.00 C ATOM 741 O PRO A 50 44.861 -27.565 4.016 1.00 10.00 O ATOM 742 CB PRO A 50 45.140 -29.979 1.989 1.00 10.00 C ATOM 743 CG PRO A 50 45.615 -31.398 2.309 1.00 10.00 C ATOM 744 CD PRO A 50 47.123 -31.242 2.461 1.00 10.00 C ATOM 0 HA PRO A 50 46.331 -28.150 2.174 1.00 10.00 H new ATOM 0 HB2 PRO A 50 44.121 -29.814 2.338 1.00 10.00 H new ATOM 0 HB3 PRO A 50 45.144 -29.792 0.915 1.00 10.00 H new ATOM 0 HG2 PRO A 50 45.157 -31.778 3.222 1.00 10.00 H new ATOM 0 HG3 PRO A 50 45.362 -32.096 1.511 1.00 10.00 H new ATOM 0 HD2 PRO A 50 47.509 -31.906 3.234 1.00 10.00 H new ATOM 0 HD3 PRO A 50 47.638 -31.498 1.535 1.00 10.00 H new ATOM 752 N THR A 51 45.831 -29.220 5.160 1.00 10.00 N ATOM 753 CA THR A 51 45.467 -28.698 6.489 1.00 10.00 C ATOM 754 C THR A 51 46.462 -27.648 6.948 1.00 10.00 C ATOM 755 O THR A 51 46.042 -26.632 7.484 1.00 10.00 O ATOM 756 CB THR A 51 45.411 -29.841 7.495 1.00 10.00 C ATOM 757 OG1 THR A 51 44.239 -30.606 7.293 1.00 10.00 O ATOM 758 CG2 THR A 51 45.431 -29.381 8.949 1.00 10.00 C ATOM 0 H THR A 51 46.317 -30.116 5.189 1.00 10.00 H new ATOM 0 HA THR A 51 44.485 -28.230 6.420 1.00 10.00 H new ATOM 0 HB THR A 51 46.311 -30.431 7.321 1.00 10.00 H new ATOM 0 HG1 THR A 51 44.211 -31.340 7.942 1.00 10.00 H new ATOM 0 HG21 THR A 51 45.389 -30.250 9.606 1.00 10.00 H new ATOM 0 HG22 THR A 51 46.348 -28.824 9.142 1.00 10.00 H new ATOM 0 HG23 THR A 51 44.571 -28.740 9.140 1.00 10.00 H new ATOM 766 N ALA A 52 47.758 -27.826 6.709 1.00 10.00 N ATOM 767 CA ALA A 52 48.760 -26.785 6.914 1.00 10.00 C ATOM 768 C ALA A 52 48.440 -25.533 6.105 1.00 10.00 C ATOM 769 O ALA A 52 48.539 -24.417 6.614 1.00 10.00 O ATOM 770 CB ALA A 52 50.115 -27.390 6.528 1.00 10.00 C ATOM 0 H ALA A 52 48.146 -28.704 6.365 1.00 10.00 H new ATOM 0 HA ALA A 52 48.774 -26.462 7.955 1.00 10.00 H new ATOM 0 HB1 ALA A 52 50.899 -26.645 6.666 1.00 10.00 H new ATOM 0 HB2 ALA A 52 50.321 -28.254 7.160 1.00 10.00 H new ATOM 0 HB3 ALA A 52 50.090 -27.702 5.484 1.00 10.00 H new ATOM 776 N LEU A 53 48.014 -25.720 4.863 1.00 10.00 N ATOM 777 CA LEU A 53 47.704 -24.644 3.940 1.00 10.00 C ATOM 778 C LEU A 53 46.328 -24.048 4.242 1.00 10.00 C ATOM 779 O LEU A 53 46.175 -22.834 4.188 1.00 10.00 O ATOM 780 CB LEU A 53 47.883 -25.221 2.529 1.00 10.00 C ATOM 781 CG LEU A 53 48.095 -24.250 1.356 1.00 10.00 C ATOM 782 CD1 LEU A 53 48.642 -22.889 1.749 1.00 10.00 C ATOM 783 CD2 LEU A 53 49.141 -24.882 0.439 1.00 10.00 C ATOM 0 H LEU A 53 47.872 -26.647 4.463 1.00 10.00 H new ATOM 0 HA LEU A 53 48.373 -23.789 4.041 1.00 10.00 H new ATOM 0 HB2 LEU A 53 48.736 -25.899 2.555 1.00 10.00 H new ATOM 0 HB3 LEU A 53 47.003 -25.824 2.304 1.00 10.00 H new ATOM 0 HG LEU A 53 47.117 -24.089 0.902 1.00 10.00 H new ATOM 0 HD11 LEU A 53 48.759 -22.273 0.858 1.00 10.00 H new ATOM 0 HD12 LEU A 53 47.950 -22.404 2.438 1.00 10.00 H new ATOM 0 HD13 LEU A 53 49.610 -23.012 2.234 1.00 10.00 H new ATOM 0 HD21 LEU A 53 49.324 -24.225 -0.411 1.00 10.00 H new ATOM 0 HD22 LEU A 53 50.069 -25.028 0.992 1.00 10.00 H new ATOM 0 HD23 LEU A 53 48.777 -25.845 0.081 1.00 10.00 H new ATOM 795 N ALA A 54 45.358 -24.861 4.671 1.00 10.00 N ATOM 796 CA ALA A 54 44.084 -24.387 5.208 1.00 10.00 C ATOM 797 C ALA A 54 44.298 -23.559 6.484 1.00 10.00 C ATOM 798 O ALA A 54 43.683 -22.510 6.657 1.00 10.00 O ATOM 799 CB ALA A 54 43.183 -25.593 5.519 1.00 10.00 C ATOM 0 H ALA A 54 45.439 -25.878 4.654 1.00 10.00 H new ATOM 0 HA ALA A 54 43.608 -23.749 4.463 1.00 10.00 H new ATOM 0 HB1 ALA A 54 42.232 -25.243 5.920 1.00 10.00 H new ATOM 0 HB2 ALA A 54 43.005 -26.160 4.605 1.00 10.00 H new ATOM 0 HB3 ALA A 54 43.672 -26.233 6.253 1.00 10.00 H new ATOM 805 N ASN A 55 45.202 -24.010 7.354 1.00 10.00 N ATOM 806 CA ASN A 55 45.565 -23.362 8.608 1.00 10.00 C ATOM 807 C ASN A 55 46.230 -22.012 8.349 1.00 10.00 C ATOM 808 O ASN A 55 45.762 -20.981 8.822 1.00 10.00 O ATOM 809 CB ASN A 55 46.508 -24.306 9.372 1.00 10.00 C ATOM 810 CG ASN A 55 47.121 -23.734 10.624 1.00 10.00 C ATOM 811 OD1 ASN A 55 46.448 -23.340 11.563 1.00 10.00 O ATOM 812 ND2 ASN A 55 48.431 -23.720 10.665 1.00 10.00 N ATOM 0 H ASN A 55 45.721 -24.873 7.195 1.00 10.00 H new ATOM 0 HA ASN A 55 44.673 -23.167 9.203 1.00 10.00 H new ATOM 0 HB2 ASN A 55 45.955 -25.207 9.638 1.00 10.00 H new ATOM 0 HB3 ASN A 55 47.311 -24.611 8.701 1.00 10.00 H new ATOM 0 HD21 ASN A 55 48.912 -23.374 11.496 1.00 10.00 H new ATOM 0 HD22 ASN A 55 48.970 -24.055 9.866 1.00 10.00 H new ATOM 819 N TYR A 56 47.283 -22.017 7.532 1.00 10.00 N ATOM 820 CA TYR A 56 47.921 -20.795 7.031 1.00 10.00 C ATOM 821 C TYR A 56 46.937 -19.861 6.336 1.00 10.00 C ATOM 822 O TYR A 56 46.905 -18.695 6.695 1.00 10.00 O ATOM 823 CB TYR A 56 49.136 -21.195 6.182 1.00 10.00 C ATOM 824 CG TYR A 56 49.817 -20.164 5.307 1.00 10.00 C ATOM 825 CD1 TYR A 56 49.388 -19.989 3.977 1.00 10.00 C ATOM 826 CD2 TYR A 56 50.997 -19.537 5.754 1.00 10.00 C ATOM 827 CE1 TYR A 56 50.160 -19.226 3.081 1.00 10.00 C ATOM 828 CE2 TYR A 56 51.773 -18.774 4.860 1.00 10.00 C ATOM 829 CZ TYR A 56 51.367 -18.636 3.513 1.00 10.00 C ATOM 830 OH TYR A 56 52.130 -17.933 2.630 1.00 10.00 O ATOM 0 H TYR A 56 47.722 -22.874 7.196 1.00 10.00 H new ATOM 0 HA TYR A 56 48.282 -20.194 7.865 1.00 10.00 H new ATOM 0 HB2 TYR A 56 49.890 -21.593 6.861 1.00 10.00 H new ATOM 0 HB3 TYR A 56 48.824 -22.015 5.535 1.00 10.00 H new ATOM 0 HD1 TYR A 56 48.465 -20.441 3.644 1.00 10.00 H new ATOM 0 HD2 TYR A 56 51.307 -19.642 6.783 1.00 10.00 H new ATOM 0 HE1 TYR A 56 49.828 -19.092 2.062 1.00 10.00 H new ATOM 0 HE2 TYR A 56 52.678 -18.295 5.203 1.00 10.00 H new ATOM 0 HH TYR A 56 52.927 -17.591 3.086 1.00 10.00 H new ATOM 840 N GLN A 57 46.053 -20.336 5.461 1.00 10.00 N ATOM 841 CA GLN A 57 45.042 -19.477 4.822 1.00 10.00 C ATOM 842 C GLN A 57 44.022 -18.909 5.827 1.00 10.00 C ATOM 843 O GLN A 57 43.635 -17.746 5.712 1.00 10.00 O ATOM 844 CB GLN A 57 44.313 -20.222 3.690 1.00 10.00 C ATOM 845 CG GLN A 57 45.153 -20.325 2.403 1.00 10.00 C ATOM 846 CD GLN A 57 45.408 -18.980 1.716 1.00 10.00 C ATOM 847 OE1 GLN A 57 44.620 -18.045 1.769 1.00 10.00 O ATOM 848 NE2 GLN A 57 46.528 -18.823 1.040 1.00 10.00 N ATOM 0 H GLN A 57 46.012 -21.314 5.173 1.00 10.00 H new ATOM 0 HA GLN A 57 45.585 -18.632 4.398 1.00 10.00 H new ATOM 0 HB2 GLN A 57 44.053 -21.225 4.030 1.00 10.00 H new ATOM 0 HB3 GLN A 57 43.378 -19.709 3.467 1.00 10.00 H new ATOM 0 HG2 GLN A 57 46.111 -20.786 2.643 1.00 10.00 H new ATOM 0 HG3 GLN A 57 44.646 -20.989 1.703 1.00 10.00 H new ATOM 0 HE21 GLN A 57 47.200 -19.588 0.982 1.00 10.00 H new ATOM 0 HE22 GLN A 57 46.723 -17.936 0.575 1.00 10.00 H new ATOM 857 N MET A 58 43.610 -19.686 6.832 1.00 10.00 N ATOM 858 CA MET A 58 42.681 -19.262 7.887 1.00 10.00 C ATOM 859 C MET A 58 43.299 -18.214 8.814 1.00 10.00 C ATOM 860 O MET A 58 42.716 -17.150 9.031 1.00 10.00 O ATOM 861 CB MET A 58 42.201 -20.513 8.643 1.00 10.00 C ATOM 862 CG MET A 58 41.228 -20.249 9.798 1.00 10.00 C ATOM 863 SD MET A 58 41.945 -19.689 11.374 1.00 10.00 S ATOM 864 CE MET A 58 42.753 -21.215 11.935 1.00 10.00 C ATOM 0 H MET A 58 43.920 -20.652 6.939 1.00 10.00 H new ATOM 0 HA MET A 58 41.820 -18.767 7.437 1.00 10.00 H new ATOM 0 HB2 MET A 58 41.721 -21.185 7.932 1.00 10.00 H new ATOM 0 HB3 MET A 58 43.073 -21.036 9.037 1.00 10.00 H new ATOM 0 HG2 MET A 58 40.508 -19.500 9.469 1.00 10.00 H new ATOM 0 HG3 MET A 58 40.670 -21.166 9.987 1.00 10.00 H new ATOM 0 HE1 MET A 58 43.180 -21.058 12.925 1.00 10.00 H new ATOM 0 HE2 MET A 58 42.019 -22.020 11.980 1.00 10.00 H new ATOM 0 HE3 MET A 58 43.545 -21.485 11.237 1.00 10.00 H new ATOM 874 N ILE A 59 44.516 -18.463 9.302 1.00 10.00 N ATOM 875 CA ILE A 59 45.261 -17.524 10.126 1.00 10.00 C ATOM 876 C ILE A 59 45.632 -16.289 9.300 1.00 10.00 C ATOM 877 O ILE A 59 45.589 -15.181 9.821 1.00 10.00 O ATOM 878 CB ILE A 59 46.481 -18.250 10.722 1.00 10.00 C ATOM 879 CG1 ILE A 59 46.048 -19.382 11.685 1.00 10.00 C ATOM 880 CG2 ILE A 59 47.374 -17.289 11.503 1.00 10.00 C ATOM 881 CD1 ILE A 59 47.232 -20.203 12.194 1.00 10.00 C ATOM 0 H ILE A 59 45.014 -19.336 9.130 1.00 10.00 H new ATOM 0 HA ILE A 59 44.656 -17.164 10.958 1.00 10.00 H new ATOM 0 HB ILE A 59 47.031 -18.668 9.879 1.00 10.00 H new ATOM 0 HG12 ILE A 59 45.518 -18.950 12.534 1.00 10.00 H new ATOM 0 HG13 ILE A 59 45.346 -20.041 11.174 1.00 10.00 H new ATOM 0 HG21 ILE A 59 48.226 -17.834 11.910 1.00 10.00 H new ATOM 0 HG22 ILE A 59 47.731 -16.502 10.838 1.00 10.00 H new ATOM 0 HG23 ILE A 59 46.804 -16.844 12.319 1.00 10.00 H new ATOM 0 HD11 ILE A 59 46.872 -20.983 12.865 1.00 10.00 H new ATOM 0 HD12 ILE A 59 47.747 -20.660 11.349 1.00 10.00 H new ATOM 0 HD13 ILE A 59 47.922 -19.552 12.731 1.00 10.00 H new ATOM 893 N MET A 60 45.934 -16.443 8.008 1.00 10.00 N ATOM 894 CA MET A 60 46.221 -15.324 7.111 1.00 10.00 C ATOM 895 C MET A 60 44.987 -14.468 6.808 1.00 10.00 C ATOM 896 O MET A 60 45.101 -13.249 6.702 1.00 10.00 O ATOM 897 CB MET A 60 46.860 -15.812 5.810 1.00 10.00 C ATOM 898 CG MET A 60 47.624 -14.674 5.145 1.00 10.00 C ATOM 899 SD MET A 60 48.675 -15.190 3.767 1.00 10.00 S ATOM 900 CE MET A 60 49.999 -15.931 4.757 1.00 10.00 C ATOM 0 H MET A 60 45.986 -17.355 7.553 1.00 10.00 H new ATOM 0 HA MET A 60 46.930 -14.686 7.639 1.00 10.00 H new ATOM 0 HB2 MET A 60 47.535 -16.642 6.016 1.00 10.00 H new ATOM 0 HB3 MET A 60 46.090 -16.187 5.136 1.00 10.00 H new ATOM 0 HG2 MET A 60 46.910 -13.934 4.785 1.00 10.00 H new ATOM 0 HG3 MET A 60 48.243 -14.181 5.894 1.00 10.00 H new ATOM 0 HE1 MET A 60 50.892 -16.047 4.142 1.00 10.00 H new ATOM 0 HE2 MET A 60 50.224 -15.285 5.605 1.00 10.00 H new ATOM 0 HE3 MET A 60 49.679 -16.908 5.120 1.00 10.00 H new ATOM 910 N SER A 61 43.807 -15.080 6.720 1.00 10.00 N ATOM 911 CA SER A 61 42.525 -14.371 6.609 1.00 10.00 C ATOM 912 C SER A 61 42.274 -13.496 7.843 1.00 10.00 C ATOM 913 O SER A 61 41.929 -12.322 7.708 1.00 10.00 O ATOM 914 CB SER A 61 41.368 -15.362 6.413 1.00 10.00 C ATOM 915 OG SER A 61 41.470 -16.002 5.152 1.00 10.00 O ATOM 0 H SER A 61 43.709 -16.095 6.723 1.00 10.00 H new ATOM 0 HA SER A 61 42.577 -13.723 5.734 1.00 10.00 H new ATOM 0 HB2 SER A 61 41.382 -16.108 7.208 1.00 10.00 H new ATOM 0 HB3 SER A 61 40.416 -14.837 6.485 1.00 10.00 H new ATOM 0 HG SER A 61 42.198 -16.657 5.176 1.00 10.00 H new ATOM 921 N GLU A 62 42.529 -14.028 9.043 1.00 10.00 N ATOM 922 CA GLU A 62 42.479 -13.258 10.292 1.00 10.00 C ATOM 923 C GLU A 62 43.571 -12.180 10.367 1.00 10.00 C ATOM 924 O GLU A 62 43.280 -11.028 10.695 1.00 10.00 O ATOM 925 CB GLU A 62 42.575 -14.206 11.505 1.00 10.00 C ATOM 926 CG GLU A 62 41.354 -15.123 11.675 1.00 10.00 C ATOM 927 CD GLU A 62 40.081 -14.336 12.044 1.00 10.00 C ATOM 928 OE1 GLU A 62 39.890 -14.012 13.242 1.00 10.00 O ATOM 929 OE2 GLU A 62 39.257 -14.042 11.144 1.00 10.00 O ATOM 0 H GLU A 62 42.777 -15.008 9.177 1.00 10.00 H new ATOM 0 HA GLU A 62 41.521 -12.739 10.310 1.00 10.00 H new ATOM 0 HB2 GLU A 62 43.469 -14.822 11.403 1.00 10.00 H new ATOM 0 HB3 GLU A 62 42.700 -13.611 12.410 1.00 10.00 H new ATOM 0 HG2 GLU A 62 41.183 -15.673 10.750 1.00 10.00 H new ATOM 0 HG3 GLU A 62 41.561 -15.860 12.451 1.00 10.00 H new ATOM 936 N TYR A 63 44.806 -12.530 10.002 1.00 10.00 N ATOM 937 CA TYR A 63 45.958 -11.627 9.966 1.00 10.00 C ATOM 938 C TYR A 63 45.702 -10.417 9.075 1.00 10.00 C ATOM 939 O TYR A 63 45.869 -9.279 9.507 1.00 10.00 O ATOM 940 CB TYR A 63 47.209 -12.382 9.485 1.00 10.00 C ATOM 941 CG TYR A 63 48.433 -11.514 9.261 1.00 10.00 C ATOM 942 CD1 TYR A 63 49.067 -10.864 10.339 1.00 10.00 C ATOM 943 CD2 TYR A 63 48.940 -11.367 7.955 1.00 10.00 C ATOM 944 CE1 TYR A 63 50.212 -10.074 10.110 1.00 10.00 C ATOM 945 CE2 TYR A 63 50.091 -10.596 7.725 1.00 10.00 C ATOM 946 CZ TYR A 63 50.730 -9.943 8.801 1.00 10.00 C ATOM 947 OH TYR A 63 51.844 -9.195 8.572 1.00 10.00 O ATOM 0 H TYR A 63 45.039 -13.480 9.714 1.00 10.00 H new ATOM 0 HA TYR A 63 46.122 -11.262 10.980 1.00 10.00 H new ATOM 0 HB2 TYR A 63 47.456 -13.150 10.218 1.00 10.00 H new ATOM 0 HB3 TYR A 63 46.970 -12.895 8.553 1.00 10.00 H new ATOM 0 HD1 TYR A 63 48.676 -10.971 11.340 1.00 10.00 H new ATOM 0 HD2 TYR A 63 48.441 -11.849 7.127 1.00 10.00 H new ATOM 0 HE1 TYR A 63 50.693 -9.569 10.934 1.00 10.00 H new ATOM 0 HE2 TYR A 63 50.487 -10.503 6.725 1.00 10.00 H new ATOM 0 HH TYR A 63 52.061 -9.215 7.616 1.00 10.00 H new ATOM 957 N ASN A 64 45.264 -10.660 7.842 1.00 10.00 N ATOM 958 CA ASN A 64 45.136 -9.620 6.829 1.00 10.00 C ATOM 959 C ASN A 64 43.980 -8.662 7.153 1.00 10.00 C ATOM 960 O ASN A 64 44.136 -7.449 7.024 1.00 10.00 O ATOM 961 CB ASN A 64 44.968 -10.283 5.452 1.00 10.00 C ATOM 962 CG ASN A 64 44.917 -9.257 4.331 1.00 10.00 C ATOM 963 OD1 ASN A 64 43.858 -8.821 3.901 1.00 10.00 O ATOM 964 ND2 ASN A 64 46.055 -8.832 3.827 1.00 10.00 N ATOM 0 H ASN A 64 44.988 -11.587 7.518 1.00 10.00 H new ATOM 0 HA ASN A 64 46.040 -9.011 6.817 1.00 10.00 H new ATOM 0 HB2 ASN A 64 45.795 -10.971 5.277 1.00 10.00 H new ATOM 0 HB3 ASN A 64 44.053 -10.876 5.444 1.00 10.00 H new ATOM 0 HD21 ASN A 64 46.054 -8.139 3.078 1.00 10.00 H new ATOM 0 HD22 ASN A 64 46.938 -9.195 4.185 1.00 10.00 H new ATOM 1108 N VAL A 74 46.627 3.853 11.408 1.00 10.00 N ATOM 1109 CA VAL A 74 48.019 4.216 11.107 1.00 10.00 C ATOM 1110 C VAL A 74 48.139 5.092 9.849 1.00 10.00 C ATOM 1111 O VAL A 74 49.010 5.962 9.784 1.00 10.00 O ATOM 1112 CB VAL A 74 48.834 2.912 11.011 1.00 10.00 C ATOM 1113 CG1 VAL A 74 50.234 3.121 10.457 1.00 10.00 C ATOM 1114 CG2 VAL A 74 48.970 2.255 12.392 1.00 10.00 C ATOM 0 HA VAL A 74 48.422 4.836 11.908 1.00 10.00 H new ATOM 0 HB VAL A 74 48.281 2.272 10.323 1.00 10.00 H new ATOM 0 HG11 VAL A 74 50.755 2.165 10.415 1.00 10.00 H new ATOM 0 HG12 VAL A 74 50.169 3.543 9.454 1.00 10.00 H new ATOM 0 HG13 VAL A 74 50.783 3.805 11.104 1.00 10.00 H new ATOM 0 HG21 VAL A 74 49.549 1.336 12.302 1.00 10.00 H new ATOM 0 HG22 VAL A 74 49.478 2.939 13.072 1.00 10.00 H new ATOM 0 HG23 VAL A 74 47.980 2.023 12.784 1.00 10.00 H new ATOM 1124 N LYS A 75 47.218 4.953 8.884 1.00 10.00 N ATOM 1125 CA LYS A 75 47.066 5.832 7.709 1.00 10.00 C ATOM 1126 C LYS A 75 46.977 7.317 8.084 1.00 10.00 C ATOM 1127 O LYS A 75 47.527 8.148 7.368 1.00 10.00 O ATOM 1128 CB LYS A 75 45.842 5.366 6.893 1.00 10.00 C ATOM 1129 CG LYS A 75 45.534 6.192 5.629 1.00 10.00 C ATOM 1130 CD LYS A 75 46.652 6.248 4.574 1.00 10.00 C ATOM 1131 CE LYS A 75 46.960 4.864 3.985 1.00 10.00 C ATOM 1132 NZ LYS A 75 47.941 4.950 2.869 1.00 10.00 N ATOM 0 H LYS A 75 46.532 4.198 8.899 1.00 10.00 H new ATOM 0 HA LYS A 75 47.963 5.748 7.095 1.00 10.00 H new ATOM 0 HB2 LYS A 75 45.997 4.328 6.599 1.00 10.00 H new ATOM 0 HB3 LYS A 75 44.966 5.386 7.541 1.00 10.00 H new ATOM 0 HG2 LYS A 75 44.639 5.783 5.160 1.00 10.00 H new ATOM 0 HG3 LYS A 75 45.297 7.211 5.933 1.00 10.00 H new ATOM 0 HD2 LYS A 75 46.360 6.926 3.772 1.00 10.00 H new ATOM 0 HD3 LYS A 75 47.555 6.659 5.025 1.00 10.00 H new ATOM 0 HE2 LYS A 75 47.353 4.214 4.767 1.00 10.00 H new ATOM 0 HE3 LYS A 75 46.038 4.407 3.625 1.00 10.00 H new ATOM 0 HZ1 LYS A 75 48.126 3.997 2.495 1.00 10.00 H new ATOM 0 HZ2 LYS A 75 47.555 5.550 2.113 1.00 10.00 H new ATOM 0 HZ3 LYS A 75 48.829 5.363 3.219 1.00 10.00 H new ATOM 1146 N SER A 76 46.377 7.646 9.231 1.00 10.00 N ATOM 1147 CA SER A 76 46.311 9.016 9.771 1.00 10.00 C ATOM 1148 C SER A 76 47.698 9.654 9.981 1.00 10.00 C ATOM 1149 O SER A 76 47.861 10.863 9.809 1.00 10.00 O ATOM 1150 CB SER A 76 45.529 8.997 11.092 1.00 10.00 C ATOM 1151 OG SER A 76 45.147 10.309 11.472 1.00 10.00 O ATOM 0 H SER A 76 45.913 6.958 9.825 1.00 10.00 H new ATOM 0 HA SER A 76 45.801 9.634 9.032 1.00 10.00 H new ATOM 0 HB2 SER A 76 44.642 8.372 10.986 1.00 10.00 H new ATOM 0 HB3 SER A 76 46.141 8.551 11.876 1.00 10.00 H new ATOM 0 HG SER A 76 44.649 10.273 12.315 1.00 10.00 H new ATOM 1157 N MET A 77 48.718 8.837 10.281 1.00 10.00 N ATOM 1158 CA MET A 77 50.114 9.267 10.449 1.00 10.00 C ATOM 1159 C MET A 77 50.942 9.075 9.168 1.00 10.00 C ATOM 1160 O MET A 77 51.736 9.948 8.815 1.00 10.00 O ATOM 1161 CB MET A 77 50.759 8.496 11.615 1.00 10.00 C ATOM 1162 CG MET A 77 50.032 8.700 12.951 1.00 10.00 C ATOM 1163 SD MET A 77 49.942 10.420 13.530 1.00 10.00 S ATOM 1164 CE MET A 77 48.959 10.176 15.034 1.00 10.00 C ATOM 0 H MET A 77 48.592 7.834 10.417 1.00 10.00 H new ATOM 0 HA MET A 77 50.105 10.334 10.670 1.00 10.00 H new ATOM 0 HB2 MET A 77 50.773 7.433 11.375 1.00 10.00 H new ATOM 0 HB3 MET A 77 51.797 8.813 11.721 1.00 10.00 H new ATOM 0 HG2 MET A 77 49.018 8.312 12.857 1.00 10.00 H new ATOM 0 HG3 MET A 77 50.533 8.103 13.713 1.00 10.00 H new ATOM 0 HE1 MET A 77 48.803 11.136 15.526 1.00 10.00 H new ATOM 0 HE2 MET A 77 47.994 9.741 14.772 1.00 10.00 H new ATOM 0 HE3 MET A 77 49.488 9.504 15.709 1.00 10.00 H new ATOM 1174 N LYS A 78 50.733 7.979 8.422 1.00 10.00 N ATOM 1175 CA LYS A 78 51.407 7.745 7.128 1.00 10.00 C ATOM 1176 C LYS A 78 51.053 8.790 6.065 1.00 10.00 C ATOM 1177 O LYS A 78 51.914 9.156 5.270 1.00 10.00 O ATOM 1178 CB LYS A 78 51.136 6.322 6.615 1.00 10.00 C ATOM 1179 CG LYS A 78 51.901 5.275 7.440 1.00 10.00 C ATOM 1180 CD LYS A 78 51.693 3.862 6.872 1.00 10.00 C ATOM 1181 CE LYS A 78 52.525 2.807 7.617 1.00 10.00 C ATOM 1182 NZ LYS A 78 53.976 2.903 7.303 1.00 10.00 N ATOM 0 H LYS A 78 50.095 7.231 8.694 1.00 10.00 H new ATOM 0 HA LYS A 78 52.475 7.851 7.316 1.00 10.00 H new ATOM 0 HB2 LYS A 78 50.067 6.114 6.661 1.00 10.00 H new ATOM 0 HB3 LYS A 78 51.430 6.249 5.568 1.00 10.00 H new ATOM 0 HG2 LYS A 78 52.964 5.516 7.443 1.00 10.00 H new ATOM 0 HG3 LYS A 78 51.564 5.307 8.476 1.00 10.00 H new ATOM 0 HD2 LYS A 78 50.637 3.599 6.934 1.00 10.00 H new ATOM 0 HD3 LYS A 78 51.962 3.854 5.816 1.00 10.00 H new ATOM 0 HE2 LYS A 78 52.380 2.926 8.691 1.00 10.00 H new ATOM 0 HE3 LYS A 78 52.164 1.812 7.355 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 54.494 2.171 7.829 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 54.120 2.763 6.283 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 54.329 3.842 7.577 1.00 10.00 H new ATOM 1196 N ASP A 79 49.838 9.339 6.085 1.00 10.00 N ATOM 1197 CA ASP A 79 49.432 10.468 5.233 1.00 10.00 C ATOM 1198 C ASP A 79 50.302 11.729 5.439 1.00 10.00 C ATOM 1199 O ASP A 79 50.494 12.507 4.502 1.00 10.00 O ATOM 1200 CB ASP A 79 47.949 10.771 5.487 1.00 10.00 C ATOM 1201 CG ASP A 79 47.409 11.879 4.566 1.00 10.00 C ATOM 1202 OD1 ASP A 79 47.257 11.631 3.345 1.00 10.00 O ATOM 1203 OD2 ASP A 79 47.103 12.990 5.064 1.00 10.00 O ATOM 0 H ASP A 79 49.094 9.010 6.701 1.00 10.00 H new ATOM 0 HA ASP A 79 49.583 10.177 4.194 1.00 10.00 H new ATOM 0 HB2 ASP A 79 47.365 9.863 5.339 1.00 10.00 H new ATOM 0 HB3 ASP A 79 47.815 11.070 6.527 1.00 10.00 H new ATOM 1208 N ILE A 80 50.877 11.908 6.638 1.00 10.00 N ATOM 1209 CA ILE A 80 51.865 12.957 6.933 1.00 10.00 C ATOM 1210 C ILE A 80 53.251 12.527 6.425 1.00 10.00 C ATOM 1211 O ILE A 80 53.889 13.244 5.652 1.00 10.00 O ATOM 1212 CB ILE A 80 51.911 13.281 8.452 1.00 10.00 C ATOM 1213 CG1 ILE A 80 50.503 13.583 9.024 1.00 10.00 C ATOM 1214 CG2 ILE A 80 52.865 14.463 8.710 1.00 10.00 C ATOM 1215 CD1 ILE A 80 50.467 13.760 10.548 1.00 10.00 C ATOM 0 H ILE A 80 50.665 11.318 7.443 1.00 10.00 H new ATOM 0 HA ILE A 80 51.564 13.867 6.415 1.00 10.00 H new ATOM 0 HB ILE A 80 52.285 12.397 8.969 1.00 10.00 H new ATOM 0 HG12 ILE A 80 50.120 14.489 8.555 1.00 10.00 H new ATOM 0 HG13 ILE A 80 49.829 12.772 8.748 1.00 10.00 H new ATOM 0 HG21 ILE A 80 52.891 14.683 9.777 1.00 10.00 H new ATOM 0 HG22 ILE A 80 53.867 14.203 8.369 1.00 10.00 H new ATOM 0 HG23 ILE A 80 52.513 15.340 8.167 1.00 10.00 H new ATOM 0 HD11 ILE A 80 49.445 13.968 10.866 1.00 10.00 H new ATOM 0 HD12 ILE A 80 50.818 12.847 11.029 1.00 10.00 H new ATOM 0 HD13 ILE A 80 51.112 14.591 10.833 1.00 10.00 H new ATOM 1227 N ASP A 81 53.715 11.347 6.840 1.00 10.00 N ATOM 1228 CA ASP A 81 55.084 10.866 6.596 1.00 10.00 C ATOM 1229 C ASP A 81 55.425 10.659 5.108 1.00 10.00 C ATOM 1230 O ASP A 81 56.514 11.025 4.660 1.00 10.00 O ATOM 1231 CB ASP A 81 55.303 9.574 7.391 1.00 10.00 C ATOM 1232 CG ASP A 81 56.765 9.098 7.320 1.00 10.00 C ATOM 1233 OD1 ASP A 81 57.641 9.741 7.947 1.00 10.00 O ATOM 1234 OD2 ASP A 81 57.037 8.065 6.662 1.00 10.00 O ATOM 0 H ASP A 81 53.144 10.684 7.364 1.00 10.00 H new ATOM 0 HA ASP A 81 55.764 11.648 6.934 1.00 10.00 H new ATOM 0 HB2 ASP A 81 55.024 9.737 8.432 1.00 10.00 H new ATOM 0 HB3 ASP A 81 54.648 8.794 7.004 1.00 10.00 H new ATOM 1239 N SER A 82 54.483 10.134 4.322 1.00 10.00 N ATOM 1240 CA SER A 82 54.643 9.858 2.883 1.00 10.00 C ATOM 1241 C SER A 82 54.744 11.113 1.995 1.00 10.00 C ATOM 1242 O SER A 82 54.972 10.988 0.791 1.00 10.00 O ATOM 1243 CB SER A 82 53.502 8.962 2.380 1.00 10.00 C ATOM 1244 OG SER A 82 53.577 7.678 2.987 1.00 10.00 O ATOM 0 H SER A 82 53.560 9.880 4.674 1.00 10.00 H new ATOM 0 HA SER A 82 55.602 9.348 2.795 1.00 10.00 H new ATOM 0 HB2 SER A 82 52.541 9.423 2.608 1.00 10.00 H new ATOM 0 HB3 SER A 82 53.559 8.863 1.296 1.00 10.00 H new ATOM 0 HG SER A 82 53.116 7.697 3.852 1.00 10.00 H new ATOM 1250 N SER A 83 54.612 12.323 2.556 1.00 10.00 N ATOM 1251 CA SER A 83 54.901 13.585 1.847 1.00 10.00 C ATOM 1252 C SER A 83 56.392 13.789 1.509 1.00 10.00 C ATOM 1253 O SER A 83 56.721 14.631 0.668 1.00 10.00 O ATOM 1254 CB SER A 83 54.382 14.789 2.647 1.00 10.00 C ATOM 1255 OG SER A 83 55.089 14.959 3.865 1.00 10.00 O ATOM 0 H SER A 83 54.301 12.458 3.518 1.00 10.00 H new ATOM 0 HA SER A 83 54.374 13.511 0.896 1.00 10.00 H new ATOM 0 HB2 SER A 83 54.475 15.692 2.044 1.00 10.00 H new ATOM 0 HB3 SER A 83 53.321 14.654 2.859 1.00 10.00 H new ATOM 0 HG SER A 83 54.639 14.458 4.577 1.00 10.00 H new