USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=13 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 X(o=0,f=0) USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 56 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 60 MET CE :methyl -158:sc= -1.86 (180deg=-3.43!) USER MOD Set 3.1: A 34 LYS NZ :NH3+ -168:sc= 1.12 (180deg=0) USER MOD Set 3.2: A 37 GLN : amide:sc= 0.638 K(o=1.8,f=-3.3) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 44 THR OG1 : rot 70:sc= 1.23 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.59 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 55 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.18) USER MOD Single : A 57 GLN : amide:sc= -0.0691 X(o=-0.069,f=-0.069) USER MOD Single : A 58 MET CE :methyl -173:sc= -0.0417 (180deg=-0.113) 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 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 1.29 (180deg=1.28) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 461 N LEU A 32 49.708 -12.400 16.466 1.00 10.00 N ATOM 462 CA LEU A 32 48.989 -12.886 15.289 1.00 10.00 C ATOM 463 C LEU A 32 49.960 -13.203 14.137 1.00 10.00 C ATOM 464 O LEU A 32 49.831 -14.225 13.464 1.00 10.00 O ATOM 465 CB LEU A 32 47.962 -11.806 14.895 1.00 10.00 C ATOM 466 CG LEU A 32 46.624 -12.326 14.333 1.00 10.00 C ATOM 467 CD1 LEU A 32 45.819 -11.137 13.807 1.00 10.00 C ATOM 468 CD2 LEU A 32 46.770 -13.349 13.209 1.00 10.00 C ATOM 0 HA LEU A 32 48.474 -13.820 15.514 1.00 10.00 H new ATOM 0 HB2 LEU A 32 47.753 -11.193 15.772 1.00 10.00 H new ATOM 0 HB3 LEU A 32 48.417 -11.152 14.151 1.00 10.00 H new ATOM 0 HG LEU A 32 46.122 -12.837 15.155 1.00 10.00 H new ATOM 0 HD11 LEU A 32 44.869 -11.490 13.406 1.00 10.00 H new ATOM 0 HD12 LEU A 32 45.632 -10.436 14.620 1.00 10.00 H new ATOM 0 HD13 LEU A 32 46.382 -10.636 13.019 1.00 10.00 H new ATOM 0 HD21 LEU A 32 45.782 -13.662 12.872 1.00 10.00 H new ATOM 0 HD22 LEU A 32 47.312 -12.900 12.377 1.00 10.00 H new ATOM 0 HD23 LEU A 32 47.320 -14.216 13.575 1.00 10.00 H new ATOM 480 N ASN A 33 50.995 -12.374 13.959 1.00 10.00 N ATOM 481 CA ASN A 33 52.101 -12.686 13.044 1.00 10.00 C ATOM 482 C ASN A 33 52.842 -13.965 13.469 1.00 10.00 C ATOM 483 O ASN A 33 53.181 -14.781 12.614 1.00 10.00 O ATOM 484 CB ASN A 33 53.066 -11.493 12.906 1.00 10.00 C ATOM 485 CG ASN A 33 54.247 -11.835 12.002 1.00 10.00 C ATOM 486 OD1 ASN A 33 55.321 -12.186 12.471 1.00 10.00 O ATOM 487 ND2 ASN A 33 54.092 -11.778 10.698 1.00 10.00 N ATOM 0 H ASN A 33 51.090 -11.479 14.438 1.00 10.00 H new ATOM 0 HA ASN A 33 51.670 -12.874 12.061 1.00 10.00 H new ATOM 0 HB2 ASN A 33 52.531 -10.635 12.499 1.00 10.00 H new ATOM 0 HB3 ASN A 33 53.432 -11.203 13.891 1.00 10.00 H new ATOM 0 HD21 ASN A 33 54.866 -12.026 10.081 1.00 10.00 H new ATOM 0 HD22 ASN A 33 53.198 -11.486 10.303 1.00 10.00 H new ATOM 494 N LYS A 34 53.038 -14.191 14.775 1.00 10.00 N ATOM 495 CA LYS A 34 53.654 -15.424 15.292 1.00 10.00 C ATOM 496 C LYS A 34 52.767 -16.658 15.097 1.00 10.00 C ATOM 497 O LYS A 34 53.280 -17.710 14.723 1.00 10.00 O ATOM 498 CB LYS A 34 54.093 -15.234 16.758 1.00 10.00 C ATOM 499 CG LYS A 34 54.886 -16.420 17.340 1.00 10.00 C ATOM 500 CD LYS A 34 56.168 -16.748 16.557 1.00 10.00 C ATOM 501 CE LYS A 34 56.922 -17.911 17.210 1.00 10.00 C ATOM 502 NZ LYS A 34 58.138 -18.263 16.432 1.00 10.00 N ATOM 0 H LYS A 34 52.775 -13.527 15.503 1.00 10.00 H new ATOM 0 HA LYS A 34 54.548 -15.619 14.700 1.00 10.00 H new ATOM 0 HB2 LYS A 34 54.704 -14.334 16.829 1.00 10.00 H new ATOM 0 HB3 LYS A 34 53.208 -15.068 17.372 1.00 10.00 H new ATOM 0 HG2 LYS A 34 55.149 -16.198 18.374 1.00 10.00 H new ATOM 0 HG3 LYS A 34 54.245 -17.301 17.357 1.00 10.00 H new ATOM 0 HD2 LYS A 34 55.915 -17.004 15.528 1.00 10.00 H new ATOM 0 HD3 LYS A 34 56.811 -15.868 16.518 1.00 10.00 H new ATOM 0 HE2 LYS A 34 57.203 -17.641 18.228 1.00 10.00 H new ATOM 0 HE3 LYS A 34 56.267 -18.780 17.280 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 58.517 -19.170 16.771 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 57.894 -18.345 15.424 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 58.856 -17.521 16.555 1.00 10.00 H new ATOM 516 N GLN A 35 51.445 -16.529 15.241 1.00 10.00 N ATOM 517 CA GLN A 35 50.481 -17.581 14.872 1.00 10.00 C ATOM 518 C GLN A 35 50.588 -17.934 13.382 1.00 10.00 C ATOM 519 O GLN A 35 50.596 -19.104 13.005 1.00 10.00 O ATOM 520 CB GLN A 35 49.034 -17.155 15.178 1.00 10.00 C ATOM 521 CG GLN A 35 48.684 -17.061 16.670 1.00 10.00 C ATOM 522 CD GLN A 35 47.252 -16.559 16.876 1.00 10.00 C ATOM 523 OE1 GLN A 35 46.303 -17.025 16.257 1.00 10.00 O ATOM 524 NE2 GLN A 35 47.020 -15.592 17.736 1.00 10.00 N ATOM 0 H GLN A 35 51.007 -15.689 15.618 1.00 10.00 H new ATOM 0 HA GLN A 35 50.730 -18.456 15.472 1.00 10.00 H new ATOM 0 HB2 GLN A 35 48.852 -16.184 14.716 1.00 10.00 H new ATOM 0 HB3 GLN A 35 48.355 -17.865 14.706 1.00 10.00 H new ATOM 0 HG2 GLN A 35 48.799 -18.040 17.135 1.00 10.00 H new ATOM 0 HG3 GLN A 35 49.382 -16.388 17.168 1.00 10.00 H new ATOM 0 HE21 GLN A 35 47.791 -15.185 18.266 1.00 10.00 H new ATOM 0 HE22 GLN A 35 46.069 -15.249 17.874 1.00 10.00 H new ATOM 533 N LEU A 36 50.710 -16.919 12.528 1.00 10.00 N ATOM 534 CA LEU A 36 50.852 -17.099 11.084 1.00 10.00 C ATOM 535 C LEU A 36 52.210 -17.684 10.690 1.00 10.00 C ATOM 536 O LEU A 36 52.264 -18.536 9.811 1.00 10.00 O ATOM 537 CB LEU A 36 50.560 -15.779 10.389 1.00 10.00 C ATOM 538 CG LEU A 36 50.429 -15.956 8.869 1.00 10.00 C ATOM 539 CD1 LEU A 36 49.315 -16.891 8.392 1.00 10.00 C ATOM 540 CD2 LEU A 36 50.084 -14.585 8.335 1.00 10.00 C ATOM 0 H LEU A 36 50.713 -15.942 12.821 1.00 10.00 H new ATOM 0 HA LEU A 36 50.125 -17.840 10.752 1.00 10.00 H new ATOM 0 HB2 LEU A 36 49.639 -15.354 10.787 1.00 10.00 H new ATOM 0 HB3 LEU A 36 51.358 -15.069 10.606 1.00 10.00 H new ATOM 0 HG LEU A 36 51.363 -16.397 8.521 1.00 10.00 H new ATOM 0 HD11 LEU A 36 49.320 -16.937 7.303 1.00 10.00 H new ATOM 0 HD12 LEU A 36 49.479 -17.889 8.798 1.00 10.00 H new ATOM 0 HD13 LEU A 36 48.352 -16.514 8.735 1.00 10.00 H new ATOM 0 HD21 LEU A 36 49.974 -14.633 7.252 1.00 10.00 H new ATOM 0 HD22 LEU A 36 49.148 -14.246 8.780 1.00 10.00 H new ATOM 0 HD23 LEU A 36 50.880 -13.885 8.588 1.00 10.00 H new ATOM 552 N GLN A 37 53.292 -17.296 11.365 1.00 10.00 N ATOM 553 CA GLN A 37 54.617 -17.890 11.187 1.00 10.00 C ATOM 554 C GLN A 37 54.649 -19.351 11.663 1.00 10.00 C ATOM 555 O GLN A 37 55.286 -20.188 11.029 1.00 10.00 O ATOM 556 CB GLN A 37 55.660 -17.001 11.890 1.00 10.00 C ATOM 557 CG GLN A 37 57.126 -17.371 11.595 1.00 10.00 C ATOM 558 CD GLN A 37 57.670 -18.524 12.442 1.00 10.00 C ATOM 559 OE1 GLN A 37 57.539 -18.561 13.660 1.00 10.00 O ATOM 560 NE2 GLN A 37 58.326 -19.498 11.848 1.00 10.00 N ATOM 0 H GLN A 37 53.273 -16.550 12.060 1.00 10.00 H new ATOM 0 HA GLN A 37 54.865 -17.929 10.126 1.00 10.00 H new ATOM 0 HB2 GLN A 37 55.494 -15.966 11.593 1.00 10.00 H new ATOM 0 HB3 GLN A 37 55.496 -17.054 12.966 1.00 10.00 H new ATOM 0 HG2 GLN A 37 57.216 -17.636 10.542 1.00 10.00 H new ATOM 0 HG3 GLN A 37 57.750 -16.492 11.757 1.00 10.00 H new ATOM 0 HE21 GLN A 37 58.447 -19.488 10.835 1.00 10.00 H new ATOM 0 HE22 GLN A 37 58.713 -20.263 12.400 1.00 10.00 H new ATOM 569 N ASP A 38 53.905 -19.694 12.716 1.00 10.00 N ATOM 570 CA ASP A 38 53.682 -21.084 13.132 1.00 10.00 C ATOM 571 C ASP A 38 52.895 -21.875 12.072 1.00 10.00 C ATOM 572 O ASP A 38 53.257 -23.011 11.754 1.00 10.00 O ATOM 573 CB ASP A 38 52.993 -21.117 14.504 1.00 10.00 C ATOM 574 CG ASP A 38 52.835 -22.554 15.027 1.00 10.00 C ATOM 575 OD1 ASP A 38 53.814 -23.102 15.589 1.00 10.00 O ATOM 576 OD2 ASP A 38 51.730 -23.131 14.896 1.00 10.00 O ATOM 0 H ASP A 38 53.435 -19.011 13.310 1.00 10.00 H new ATOM 0 HA ASP A 38 54.650 -21.577 13.226 1.00 10.00 H new ATOM 0 HB2 ASP A 38 53.574 -20.532 15.217 1.00 10.00 H new ATOM 0 HB3 ASP A 38 52.012 -20.647 14.430 1.00 10.00 H new ATOM 581 N ALA A 39 51.893 -21.252 11.437 1.00 10.00 N ATOM 582 CA ALA A 39 51.210 -21.834 10.277 1.00 10.00 C ATOM 583 C ALA A 39 52.173 -22.064 9.114 1.00 10.00 C ATOM 584 O ALA A 39 52.209 -23.147 8.540 1.00 10.00 O ATOM 585 CB ALA A 39 50.028 -20.968 9.803 1.00 10.00 C ATOM 0 H ALA A 39 51.536 -20.337 11.712 1.00 10.00 H new ATOM 0 HA ALA A 39 50.819 -22.796 10.608 1.00 10.00 H new ATOM 0 HB1 ALA A 39 49.554 -21.439 8.942 1.00 10.00 H new ATOM 0 HB2 ALA A 39 49.301 -20.871 10.610 1.00 10.00 H new ATOM 0 HB3 ALA A 39 50.391 -19.980 9.521 1.00 10.00 H new ATOM 591 N GLN A 40 52.985 -21.054 8.809 1.00 10.00 N ATOM 592 CA GLN A 40 53.991 -21.039 7.753 1.00 10.00 C ATOM 593 C GLN A 40 55.103 -22.057 8.008 1.00 10.00 C ATOM 594 O GLN A 40 55.722 -22.502 7.053 1.00 10.00 O ATOM 595 CB GLN A 40 54.555 -19.607 7.678 1.00 10.00 C ATOM 596 CG GLN A 40 55.372 -19.273 6.423 1.00 10.00 C ATOM 597 CD GLN A 40 55.727 -17.782 6.398 1.00 10.00 C ATOM 598 OE1 GLN A 40 55.203 -17.008 5.608 1.00 10.00 O ATOM 599 NE2 GLN A 40 56.595 -17.321 7.278 1.00 10.00 N ATOM 0 H GLN A 40 52.955 -20.174 9.323 1.00 10.00 H new ATOM 0 HA GLN A 40 53.536 -21.324 6.804 1.00 10.00 H new ATOM 0 HB2 GLN A 40 53.723 -18.906 7.744 1.00 10.00 H new ATOM 0 HB3 GLN A 40 55.183 -19.439 8.552 1.00 10.00 H new ATOM 0 HG2 GLN A 40 56.283 -19.871 6.405 1.00 10.00 H new ATOM 0 HG3 GLN A 40 54.802 -19.533 5.531 1.00 10.00 H new ATOM 0 HE21 GLN A 40 57.037 -17.958 7.941 1.00 10.00 H new ATOM 0 HE22 GLN A 40 56.824 -16.327 7.296 1.00 10.00 H new ATOM 608 N ALA A 41 55.375 -22.436 9.259 1.00 10.00 N ATOM 609 CA ALA A 41 56.253 -23.557 9.616 1.00 10.00 C ATOM 610 C ALA A 41 55.596 -24.937 9.514 1.00 10.00 C ATOM 611 O ALA A 41 56.252 -25.867 9.045 1.00 10.00 O ATOM 612 CB ALA A 41 56.898 -23.306 10.972 1.00 10.00 C ATOM 0 H ALA A 41 54.982 -21.962 10.072 1.00 10.00 H new ATOM 0 HA ALA A 41 57.038 -23.593 8.860 1.00 10.00 H new ATOM 0 HB1 ALA A 41 57.547 -24.144 11.227 1.00 10.00 H new ATOM 0 HB2 ALA A 41 57.487 -22.390 10.931 1.00 10.00 H new ATOM 0 HB3 ALA A 41 56.122 -23.204 11.731 1.00 10.00 H new ATOM 618 N ASN A 42 54.313 -25.099 9.862 1.00 10.00 N ATOM 619 CA ASN A 42 53.601 -26.354 9.543 1.00 10.00 C ATOM 620 C ASN A 42 53.547 -26.508 8.013 1.00 10.00 C ATOM 621 O ASN A 42 53.722 -27.594 7.462 1.00 10.00 O ATOM 622 CB ASN A 42 52.175 -26.387 10.145 1.00 10.00 C ATOM 623 CG ASN A 42 51.489 -27.740 10.013 1.00 10.00 C ATOM 624 OD1 ASN A 42 52.102 -28.780 9.819 1.00 10.00 O ATOM 625 ND2 ASN A 42 50.184 -27.779 10.158 1.00 10.00 N ATOM 0 H ASN A 42 53.754 -24.400 10.352 1.00 10.00 H new ATOM 0 HA ASN A 42 54.144 -27.187 9.989 1.00 10.00 H new ATOM 0 HB2 ASN A 42 52.229 -26.118 11.200 1.00 10.00 H new ATOM 0 HB3 ASN A 42 51.564 -25.630 9.653 1.00 10.00 H new ATOM 0 HD21 ASN A 42 49.692 -28.671 10.108 1.00 10.00 H new ATOM 0 HD22 ASN A 42 49.663 -26.917 10.320 1.00 10.00 H new ATOM 632 N LEU A 43 53.398 -25.376 7.318 1.00 10.00 N ATOM 633 CA LEU A 43 53.534 -25.282 5.888 1.00 10.00 C ATOM 634 C LEU A 43 54.972 -25.484 5.432 1.00 10.00 C ATOM 635 O LEU A 43 55.197 -26.162 4.455 1.00 10.00 O ATOM 636 CB LEU A 43 52.934 -23.944 5.414 1.00 10.00 C ATOM 637 CG LEU A 43 52.350 -24.090 4.021 1.00 10.00 C ATOM 638 CD1 LEU A 43 51.111 -24.963 4.126 1.00 10.00 C ATOM 639 CD2 LEU A 43 51.889 -22.784 3.404 1.00 10.00 C ATOM 0 H LEU A 43 53.174 -24.484 7.760 1.00 10.00 H new ATOM 0 HA LEU A 43 52.976 -26.093 5.421 1.00 10.00 H new ATOM 0 HB2 LEU A 43 52.159 -23.620 6.108 1.00 10.00 H new ATOM 0 HB3 LEU A 43 53.704 -23.173 5.413 1.00 10.00 H new ATOM 0 HG LEU A 43 53.142 -24.503 3.396 1.00 10.00 H new ATOM 0 HD11 LEU A 43 50.668 -25.086 3.138 1.00 10.00 H new ATOM 0 HD12 LEU A 43 51.387 -25.939 4.525 1.00 10.00 H new ATOM 0 HD13 LEU A 43 50.388 -24.490 4.791 1.00 10.00 H new ATOM 0 HD21 LEU A 43 51.485 -22.974 2.410 1.00 10.00 H new ATOM 0 HD22 LEU A 43 51.117 -22.338 4.031 1.00 10.00 H new ATOM 0 HD23 LEU A 43 52.734 -22.100 3.328 1.00 10.00 H new ATOM 651 N THR A 44 55.984 -25.019 6.148 1.00 10.00 N ATOM 652 CA THR A 44 57.377 -25.271 5.751 1.00 10.00 C ATOM 653 C THR A 44 57.701 -26.767 5.792 1.00 10.00 C ATOM 654 O THR A 44 58.408 -27.290 4.927 1.00 10.00 O ATOM 655 CB THR A 44 58.373 -24.504 6.621 1.00 10.00 C ATOM 656 OG1 THR A 44 58.299 -23.119 6.362 1.00 10.00 O ATOM 657 CG2 THR A 44 59.796 -24.946 6.330 1.00 10.00 C ATOM 0 H THR A 44 55.878 -24.469 7.001 1.00 10.00 H new ATOM 0 HA THR A 44 57.477 -24.912 4.727 1.00 10.00 H new ATOM 0 HB THR A 44 58.116 -24.712 7.660 1.00 10.00 H new ATOM 0 HG1 THR A 44 57.454 -22.766 6.710 1.00 10.00 H new ATOM 0 HG21 THR A 44 60.487 -24.387 6.961 1.00 10.00 H new ATOM 0 HG22 THR A 44 59.896 -26.011 6.538 1.00 10.00 H new ATOM 0 HG23 THR A 44 60.028 -24.758 5.282 1.00 10.00 H new ATOM 665 N LYS A 45 57.157 -27.466 6.793 1.00 10.00 N ATOM 666 CA LYS A 45 57.266 -28.920 6.945 1.00 10.00 C ATOM 667 C LYS A 45 56.652 -29.690 5.770 1.00 10.00 C ATOM 668 O LYS A 45 57.193 -30.726 5.378 1.00 10.00 O ATOM 669 CB LYS A 45 56.648 -29.313 8.294 1.00 10.00 C ATOM 670 CG LYS A 45 57.544 -28.947 9.483 1.00 10.00 C ATOM 671 CD LYS A 45 56.866 -29.305 10.811 1.00 10.00 C ATOM 672 CE LYS A 45 57.821 -28.989 11.966 1.00 10.00 C ATOM 673 NZ LYS A 45 57.225 -29.330 13.284 1.00 10.00 N ATOM 0 H LYS A 45 56.616 -27.026 7.537 1.00 10.00 H new ATOM 0 HA LYS A 45 58.319 -29.200 6.934 1.00 10.00 H new ATOM 0 HB2 LYS A 45 55.683 -28.818 8.405 1.00 10.00 H new ATOM 0 HB3 LYS A 45 56.459 -30.386 8.304 1.00 10.00 H new ATOM 0 HG2 LYS A 45 58.495 -29.474 9.402 1.00 10.00 H new ATOM 0 HG3 LYS A 45 57.767 -27.880 9.460 1.00 10.00 H new ATOM 0 HD2 LYS A 45 55.940 -28.741 10.924 1.00 10.00 H new ATOM 0 HD3 LYS A 45 56.599 -30.362 10.823 1.00 10.00 H new ATOM 0 HE2 LYS A 45 58.749 -29.544 11.832 1.00 10.00 H new ATOM 0 HE3 LYS A 45 58.077 -27.930 11.946 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 57.901 -29.102 14.040 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 56.352 -28.781 13.423 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 57.004 -30.346 13.312 1.00 10.00 H new ATOM 687 N ASN A 46 55.581 -29.167 5.170 1.00 10.00 N ATOM 688 CA ASN A 46 54.998 -29.638 3.924 1.00 10.00 C ATOM 689 C ASN A 46 54.272 -28.502 3.161 1.00 10.00 C ATOM 690 O ASN A 46 53.101 -28.235 3.449 1.00 10.00 O ATOM 691 CB ASN A 46 54.131 -30.851 4.244 1.00 10.00 C ATOM 692 CG ASN A 46 53.664 -31.585 2.989 1.00 10.00 C ATOM 693 OD1 ASN A 46 53.644 -31.063 1.882 1.00 10.00 O ATOM 694 ND2 ASN A 46 53.316 -32.847 3.108 1.00 10.00 N ATOM 0 H ASN A 46 55.079 -28.370 5.560 1.00 10.00 H new ATOM 0 HA ASN A 46 55.772 -29.956 3.226 1.00 10.00 H new ATOM 0 HB2 ASN A 46 54.694 -31.539 4.875 1.00 10.00 H new ATOM 0 HB3 ASN A 46 53.262 -30.531 4.818 1.00 10.00 H new ATOM 0 HD21 ASN A 46 53.034 -33.378 2.284 1.00 10.00 H new ATOM 0 HD22 ASN A 46 53.328 -33.295 4.024 1.00 10.00 H new ATOM 701 N PRO A 47 54.971 -27.794 2.241 1.00 10.00 N ATOM 702 CA PRO A 47 54.500 -26.561 1.593 1.00 10.00 C ATOM 703 C PRO A 47 53.094 -26.546 0.998 1.00 10.00 C ATOM 704 O PRO A 47 52.502 -25.469 0.906 1.00 10.00 O ATOM 705 CB PRO A 47 55.562 -26.219 0.568 1.00 10.00 C ATOM 706 CG PRO A 47 56.851 -26.659 1.256 1.00 10.00 C ATOM 707 CD PRO A 47 56.423 -27.869 2.087 1.00 10.00 C ATOM 0 HA PRO A 47 54.375 -25.810 2.373 1.00 10.00 H new ATOM 0 HB2 PRO A 47 55.403 -26.749 -0.371 1.00 10.00 H new ATOM 0 HB3 PRO A 47 55.571 -25.154 0.335 1.00 10.00 H new ATOM 0 HG2 PRO A 47 57.622 -26.923 0.532 1.00 10.00 H new ATOM 0 HG3 PRO A 47 57.261 -25.867 1.883 1.00 10.00 H new ATOM 0 HD2 PRO A 47 56.710 -28.797 1.592 1.00 10.00 H new ATOM 0 HD3 PRO A 47 56.914 -27.861 3.060 1.00 10.00 H new ATOM 715 N SER A 48 52.527 -27.699 0.636 1.00 10.00 N ATOM 716 CA SER A 48 51.141 -27.823 0.234 1.00 10.00 C ATOM 717 C SER A 48 50.340 -28.935 0.907 1.00 10.00 C ATOM 718 O SER A 48 49.361 -29.445 0.354 1.00 10.00 O ATOM 719 CB SER A 48 51.103 -27.812 -1.280 1.00 10.00 C ATOM 720 OG SER A 48 51.678 -28.988 -1.837 1.00 10.00 O ATOM 0 H SER A 48 53.035 -28.583 0.617 1.00 10.00 H new ATOM 0 HA SER A 48 50.590 -26.963 0.615 1.00 10.00 H new ATOM 0 HB2 SER A 48 50.070 -27.720 -1.616 1.00 10.00 H new ATOM 0 HB3 SER A 48 51.638 -26.937 -1.650 1.00 10.00 H new ATOM 0 HG SER A 48 51.632 -28.943 -2.815 1.00 10.00 H new ATOM 726 N ASP A 49 50.737 -29.296 2.130 1.00 10.00 N ATOM 727 CA ASP A 49 49.928 -30.150 3.004 1.00 10.00 C ATOM 728 C ASP A 49 48.607 -29.402 3.232 1.00 10.00 C ATOM 729 O ASP A 49 48.623 -28.226 3.603 1.00 10.00 O ATOM 730 CB ASP A 49 50.664 -30.472 4.310 1.00 10.00 C ATOM 731 CG ASP A 49 49.768 -31.114 5.388 1.00 10.00 C ATOM 732 OD1 ASP A 49 48.843 -30.446 5.903 1.00 10.00 O ATOM 733 OD2 ASP A 49 49.979 -32.308 5.706 1.00 10.00 O ATOM 0 H ASP A 49 51.624 -29.006 2.541 1.00 10.00 H new ATOM 0 HA ASP A 49 49.734 -31.121 2.548 1.00 10.00 H new ATOM 0 HB2 ASP A 49 51.493 -31.145 4.092 1.00 10.00 H new ATOM 0 HB3 ASP A 49 51.095 -29.554 4.709 1.00 10.00 H new ATOM 738 N PRO A 50 47.452 -30.027 2.988 1.00 10.00 N ATOM 739 CA PRO A 50 46.198 -29.304 2.951 1.00 10.00 C ATOM 740 C PRO A 50 45.682 -28.813 4.294 1.00 10.00 C ATOM 741 O PRO A 50 45.008 -27.794 4.311 1.00 10.00 O ATOM 742 CB PRO A 50 45.215 -30.251 2.301 1.00 10.00 C ATOM 743 CG PRO A 50 45.770 -31.648 2.595 1.00 10.00 C ATOM 744 CD PRO A 50 47.277 -31.427 2.660 1.00 10.00 C ATOM 0 HA PRO A 50 46.341 -28.376 2.397 1.00 10.00 H new ATOM 0 HB2 PRO A 50 44.214 -30.128 2.714 1.00 10.00 H new ATOM 0 HB3 PRO A 50 45.142 -30.071 1.228 1.00 10.00 H new ATOM 0 HG2 PRO A 50 45.382 -32.045 3.533 1.00 10.00 H new ATOM 0 HG3 PRO A 50 45.502 -32.359 1.813 1.00 10.00 H new ATOM 0 HD2 PRO A 50 47.735 -32.067 3.415 1.00 10.00 H new ATOM 0 HD3 PRO A 50 47.750 -31.669 1.708 1.00 10.00 H new ATOM 752 N THR A 51 45.997 -29.463 5.412 1.00 10.00 N ATOM 753 CA THR A 51 45.711 -28.924 6.755 1.00 10.00 C ATOM 754 C THR A 51 46.662 -27.791 7.090 1.00 10.00 C ATOM 755 O THR A 51 46.208 -26.773 7.593 1.00 10.00 O ATOM 756 CB THR A 51 45.837 -30.038 7.790 1.00 10.00 C ATOM 757 OG1 THR A 51 44.642 -30.789 7.840 1.00 10.00 O ATOM 758 CG2 THR A 51 46.168 -29.571 9.207 1.00 10.00 C ATOM 0 H THR A 51 46.456 -30.374 5.421 1.00 10.00 H new ATOM 0 HA THR A 51 44.694 -28.532 6.768 1.00 10.00 H new ATOM 0 HB THR A 51 46.683 -30.637 7.452 1.00 10.00 H new ATOM 0 HG1 THR A 51 44.732 -31.503 8.505 1.00 10.00 H new ATOM 0 HG21 THR A 51 46.236 -30.435 9.868 1.00 10.00 H new ATOM 0 HG22 THR A 51 47.121 -29.041 9.202 1.00 10.00 H new ATOM 0 HG23 THR A 51 45.383 -28.903 9.563 1.00 10.00 H new ATOM 766 N ALA A 52 47.952 -27.908 6.787 1.00 10.00 N ATOM 767 CA ALA A 52 48.911 -26.818 6.917 1.00 10.00 C ATOM 768 C ALA A 52 48.492 -25.592 6.118 1.00 10.00 C ATOM 769 O ALA A 52 48.562 -24.468 6.617 1.00 10.00 O ATOM 770 CB ALA A 52 50.274 -27.366 6.471 1.00 10.00 C ATOM 0 H ALA A 52 48.365 -28.774 6.440 1.00 10.00 H new ATOM 0 HA ALA A 52 48.963 -26.476 7.951 1.00 10.00 H new ATOM 0 HB1 ALA A 52 51.026 -26.581 6.552 1.00 10.00 H new ATOM 0 HB2 ALA A 52 50.555 -28.205 7.108 1.00 10.00 H new ATOM 0 HB3 ALA A 52 50.210 -27.702 5.436 1.00 10.00 H new ATOM 776 N LEU A 53 48.014 -25.807 4.901 1.00 10.00 N ATOM 777 CA LEU A 53 47.627 -24.750 3.987 1.00 10.00 C ATOM 778 C LEU A 53 46.239 -24.206 4.336 1.00 10.00 C ATOM 779 O LEU A 53 46.036 -22.999 4.295 1.00 10.00 O ATOM 780 CB LEU A 53 47.779 -25.333 2.577 1.00 10.00 C ATOM 781 CG LEU A 53 47.901 -24.365 1.391 1.00 10.00 C ATOM 782 CD1 LEU A 53 48.396 -22.975 1.750 1.00 10.00 C ATOM 783 CD2 LEU A 53 48.934 -24.968 0.443 1.00 10.00 C ATOM 0 H LEU A 53 47.883 -26.742 4.516 1.00 10.00 H new ATOM 0 HA LEU A 53 48.261 -23.866 4.059 1.00 10.00 H new ATOM 0 HB2 LEU A 53 48.663 -25.971 2.576 1.00 10.00 H new ATOM 0 HB3 LEU A 53 46.920 -25.978 2.391 1.00 10.00 H new ATOM 0 HG LEU A 53 46.902 -24.246 0.972 1.00 10.00 H new ATOM 0 HD11 LEU A 53 48.449 -22.364 0.849 1.00 10.00 H new ATOM 0 HD12 LEU A 53 47.708 -22.516 2.460 1.00 10.00 H new ATOM 0 HD13 LEU A 53 49.387 -23.046 2.199 1.00 10.00 H new ATOM 0 HD21 LEU A 53 49.059 -24.316 -0.421 1.00 10.00 H new ATOM 0 HD22 LEU A 53 49.887 -25.070 0.961 1.00 10.00 H new ATOM 0 HD23 LEU A 53 48.594 -25.949 0.111 1.00 10.00 H new ATOM 795 N ALA A 54 45.321 -25.060 4.793 1.00 10.00 N ATOM 796 CA ALA A 54 44.044 -24.655 5.375 1.00 10.00 C ATOM 797 C ALA A 54 44.258 -23.801 6.634 1.00 10.00 C ATOM 798 O ALA A 54 43.601 -22.779 6.822 1.00 10.00 O ATOM 799 CB ALA A 54 43.237 -25.917 5.731 1.00 10.00 C ATOM 0 H ALA A 54 45.449 -26.072 4.767 1.00 10.00 H new ATOM 0 HA ALA A 54 43.499 -24.052 4.649 1.00 10.00 H new ATOM 0 HB1 ALA A 54 42.281 -25.627 6.167 1.00 10.00 H new ATOM 0 HB2 ALA A 54 43.062 -26.503 4.829 1.00 10.00 H new ATOM 0 HB3 ALA A 54 43.796 -26.516 6.450 1.00 10.00 H new ATOM 805 N ASN A 55 45.213 -24.203 7.472 1.00 10.00 N ATOM 806 CA ASN A 55 45.591 -23.533 8.707 1.00 10.00 C ATOM 807 C ASN A 55 46.199 -22.159 8.419 1.00 10.00 C ATOM 808 O ASN A 55 45.715 -21.145 8.910 1.00 10.00 O ATOM 809 CB ASN A 55 46.581 -24.450 9.440 1.00 10.00 C ATOM 810 CG ASN A 55 47.209 -23.859 10.672 1.00 10.00 C ATOM 811 OD1 ASN A 55 46.555 -23.522 11.645 1.00 10.00 O ATOM 812 ND2 ASN A 55 48.515 -23.756 10.654 1.00 10.00 N ATOM 0 H ASN A 55 45.766 -25.042 7.297 1.00 10.00 H new ATOM 0 HA ASN A 55 44.716 -23.355 9.333 1.00 10.00 H new ATOM 0 HB2 ASN A 55 46.063 -25.367 9.720 1.00 10.00 H new ATOM 0 HB3 ASN A 55 47.374 -24.731 8.746 1.00 10.00 H new ATOM 0 HD21 ASN A 55 49.009 -23.387 11.467 1.00 10.00 H new ATOM 0 HD22 ASN A 55 49.038 -24.045 9.827 1.00 10.00 H new ATOM 819 N TYR A 56 47.218 -22.129 7.559 1.00 10.00 N ATOM 820 CA TYR A 56 47.800 -20.889 7.031 1.00 10.00 C ATOM 821 C TYR A 56 46.762 -19.984 6.380 1.00 10.00 C ATOM 822 O TYR A 56 46.719 -18.815 6.727 1.00 10.00 O ATOM 823 CB TYR A 56 48.976 -21.262 6.117 1.00 10.00 C ATOM 824 CG TYR A 56 49.689 -20.197 5.306 1.00 10.00 C ATOM 825 CD1 TYR A 56 50.805 -19.531 5.853 1.00 10.00 C ATOM 826 CD2 TYR A 56 49.387 -20.052 3.937 1.00 10.00 C ATOM 827 CE1 TYR A 56 51.647 -18.762 5.026 1.00 10.00 C ATOM 828 CE2 TYR A 56 50.229 -19.288 3.106 1.00 10.00 C ATOM 829 CZ TYR A 56 51.376 -18.664 3.642 1.00 10.00 C ATOM 830 OH TYR A 56 52.209 -17.961 2.825 1.00 10.00 O ATOM 0 H TYR A 56 47.669 -22.972 7.204 1.00 10.00 H new ATOM 0 HA TYR A 56 48.185 -20.280 7.849 1.00 10.00 H new ATOM 0 HB2 TYR A 56 49.727 -21.748 6.741 1.00 10.00 H new ATOM 0 HB3 TYR A 56 48.612 -22.012 5.414 1.00 10.00 H new ATOM 0 HD1 TYR A 56 51.015 -19.611 6.909 1.00 10.00 H new ATOM 0 HD2 TYR A 56 48.509 -20.527 3.525 1.00 10.00 H new ATOM 0 HE1 TYR A 56 52.498 -18.248 5.448 1.00 10.00 H new ATOM 0 HE2 TYR A 56 49.997 -19.179 2.057 1.00 10.00 H new ATOM 0 HH TYR A 56 51.873 -17.998 1.905 1.00 10.00 H new ATOM 840 N GLN A 57 45.848 -20.493 5.557 1.00 10.00 N ATOM 841 CA GLN A 57 44.777 -19.675 4.966 1.00 10.00 C ATOM 842 C GLN A 57 43.797 -19.127 6.021 1.00 10.00 C ATOM 843 O GLN A 57 43.411 -17.959 5.952 1.00 10.00 O ATOM 844 CB GLN A 57 44.026 -20.467 3.883 1.00 10.00 C ATOM 845 CG GLN A 57 44.830 -20.591 2.577 1.00 10.00 C ATOM 846 CD GLN A 57 44.900 -19.277 1.799 1.00 10.00 C ATOM 847 OE1 GLN A 57 43.911 -18.777 1.277 1.00 10.00 O ATOM 848 NE2 GLN A 57 46.059 -18.661 1.686 1.00 10.00 N ATOM 0 H GLN A 57 45.823 -21.474 5.279 1.00 10.00 H new ATOM 0 HA GLN A 57 45.256 -18.811 4.505 1.00 10.00 H new ATOM 0 HB2 GLN A 57 43.797 -21.464 4.260 1.00 10.00 H new ATOM 0 HB3 GLN A 57 43.074 -19.978 3.675 1.00 10.00 H new ATOM 0 HG2 GLN A 57 45.841 -20.926 2.808 1.00 10.00 H new ATOM 0 HG3 GLN A 57 44.377 -21.357 1.948 1.00 10.00 H new ATOM 0 HE21 GLN A 57 46.894 -19.062 2.114 1.00 10.00 H new ATOM 0 HE22 GLN A 57 46.122 -17.783 1.171 1.00 10.00 H new ATOM 857 N MET A 58 43.425 -19.927 7.025 1.00 10.00 N ATOM 858 CA MET A 58 42.532 -19.530 8.122 1.00 10.00 C ATOM 859 C MET A 58 43.156 -18.460 9.023 1.00 10.00 C ATOM 860 O MET A 58 42.528 -17.439 9.307 1.00 10.00 O ATOM 861 CB MET A 58 42.133 -20.801 8.899 1.00 10.00 C ATOM 862 CG MET A 58 41.267 -20.567 10.145 1.00 10.00 C ATOM 863 SD MET A 58 42.140 -20.093 11.670 1.00 10.00 S ATOM 864 CE MET A 58 42.997 -21.643 12.072 1.00 10.00 C ATOM 0 H MET A 58 43.744 -20.893 7.101 1.00 10.00 H new ATOM 0 HA MET A 58 41.637 -19.062 7.713 1.00 10.00 H new ATOM 0 HB2 MET A 58 41.595 -21.466 8.223 1.00 10.00 H new ATOM 0 HB3 MET A 58 43.042 -21.322 9.201 1.00 10.00 H new ATOM 0 HG2 MET A 58 40.540 -19.788 9.913 1.00 10.00 H new ATOM 0 HG3 MET A 58 40.704 -21.479 10.344 1.00 10.00 H new ATOM 0 HE1 MET A 58 43.475 -21.552 13.047 1.00 10.00 H new ATOM 0 HE2 MET A 58 42.277 -22.461 12.096 1.00 10.00 H new ATOM 0 HE3 MET A 58 43.754 -21.847 11.314 1.00 10.00 H new ATOM 874 N ILE A 59 44.417 -18.639 9.414 1.00 10.00 N ATOM 875 CA ILE A 59 45.163 -17.677 10.213 1.00 10.00 C ATOM 876 C ILE A 59 45.477 -16.433 9.383 1.00 10.00 C ATOM 877 O ILE A 59 45.416 -15.323 9.901 1.00 10.00 O ATOM 878 CB ILE A 59 46.418 -18.378 10.756 1.00 10.00 C ATOM 879 CG1 ILE A 59 46.034 -19.508 11.739 1.00 10.00 C ATOM 880 CG2 ILE A 59 47.334 -17.403 11.490 1.00 10.00 C ATOM 881 CD1 ILE A 59 47.229 -20.364 12.144 1.00 10.00 C ATOM 0 H ILE A 59 44.955 -19.473 9.178 1.00 10.00 H new ATOM 0 HA ILE A 59 44.576 -17.329 11.063 1.00 10.00 H new ATOM 0 HB ILE A 59 46.943 -18.789 9.894 1.00 10.00 H new ATOM 0 HG12 ILE A 59 45.585 -19.071 12.631 1.00 10.00 H new ATOM 0 HG13 ILE A 59 45.276 -20.143 11.279 1.00 10.00 H new ATOM 0 HG21 ILE A 59 48.210 -17.935 11.860 1.00 10.00 H new ATOM 0 HG22 ILE A 59 47.650 -16.615 10.806 1.00 10.00 H new ATOM 0 HG23 ILE A 59 46.797 -16.961 12.329 1.00 10.00 H new ATOM 0 HD11 ILE A 59 46.902 -21.141 12.835 1.00 10.00 H new ATOM 0 HD12 ILE A 59 47.663 -20.826 11.257 1.00 10.00 H new ATOM 0 HD13 ILE A 59 47.977 -19.738 12.630 1.00 10.00 H new ATOM 893 N MET A 60 45.750 -16.582 8.085 1.00 10.00 N ATOM 894 CA MET A 60 45.985 -15.452 7.189 1.00 10.00 C ATOM 895 C MET A 60 44.728 -14.609 6.952 1.00 10.00 C ATOM 896 O MET A 60 44.822 -13.389 6.852 1.00 10.00 O ATOM 897 CB MET A 60 46.592 -15.919 5.868 1.00 10.00 C ATOM 898 CG MET A 60 47.317 -14.763 5.191 1.00 10.00 C ATOM 899 SD MET A 60 48.254 -15.248 3.723 1.00 10.00 S ATOM 900 CE MET A 60 49.606 -16.090 4.584 1.00 10.00 C ATOM 0 H MET A 60 45.814 -17.491 7.627 1.00 10.00 H new ATOM 0 HA MET A 60 46.703 -14.802 7.689 1.00 10.00 H new ATOM 0 HB2 MET A 60 47.287 -16.740 6.047 1.00 10.00 H new ATOM 0 HB3 MET A 60 45.809 -16.301 5.213 1.00 10.00 H new ATOM 0 HG2 MET A 60 46.587 -14.004 4.910 1.00 10.00 H new ATOM 0 HG3 MET A 60 47.996 -14.303 5.908 1.00 10.00 H new ATOM 0 HE1 MET A 60 50.481 -16.130 3.936 1.00 10.00 H new ATOM 0 HE2 MET A 60 49.853 -15.544 5.495 1.00 10.00 H new ATOM 0 HE3 MET A 60 49.298 -17.104 4.841 1.00 10.00 H new ATOM 910 N SER A 61 43.549 -15.235 6.929 1.00 10.00 N ATOM 911 CA SER A 61 42.253 -14.544 6.901 1.00 10.00 C ATOM 912 C SER A 61 42.080 -13.626 8.123 1.00 10.00 C ATOM 913 O SER A 61 41.690 -12.464 7.986 1.00 10.00 O ATOM 914 CB SER A 61 41.125 -15.582 6.815 1.00 10.00 C ATOM 915 OG SER A 61 39.876 -14.947 6.596 1.00 10.00 O ATOM 0 H SER A 61 43.464 -16.251 6.929 1.00 10.00 H new ATOM 0 HA SER A 61 42.212 -13.904 6.019 1.00 10.00 H new ATOM 0 HB2 SER A 61 41.329 -16.283 6.005 1.00 10.00 H new ATOM 0 HB3 SER A 61 41.087 -16.162 7.737 1.00 10.00 H new ATOM 0 HG SER A 61 39.170 -15.624 6.542 1.00 10.00 H new ATOM 921 N GLU A 62 42.469 -14.100 9.314 1.00 10.00 N ATOM 922 CA GLU A 62 42.513 -13.295 10.544 1.00 10.00 C ATOM 923 C GLU A 62 43.623 -12.227 10.520 1.00 10.00 C ATOM 924 O GLU A 62 43.389 -11.069 10.871 1.00 10.00 O ATOM 925 CB GLU A 62 42.683 -14.225 11.764 1.00 10.00 C ATOM 926 CG GLU A 62 41.464 -15.124 12.028 1.00 10.00 C ATOM 927 CD GLU A 62 40.237 -14.319 12.502 1.00 10.00 C ATOM 928 OE1 GLU A 62 40.146 -14.001 13.712 1.00 10.00 O ATOM 929 OE2 GLU A 62 39.348 -14.007 11.672 1.00 10.00 O ATOM 0 H GLU A 62 42.766 -15.066 9.453 1.00 10.00 H new ATOM 0 HA GLU A 62 41.568 -12.756 10.617 1.00 10.00 H new ATOM 0 HB2 GLU A 62 43.561 -14.853 11.612 1.00 10.00 H new ATOM 0 HB3 GLU A 62 42.875 -13.618 12.649 1.00 10.00 H new ATOM 0 HG2 GLU A 62 41.211 -15.666 11.117 1.00 10.00 H new ATOM 0 HG3 GLU A 62 41.721 -15.869 12.781 1.00 10.00 H new ATOM 936 N TYR A 63 44.819 -12.590 10.057 1.00 10.00 N ATOM 937 CA TYR A 63 45.990 -11.711 9.964 1.00 10.00 C ATOM 938 C TYR A 63 45.777 -10.514 9.032 1.00 10.00 C ATOM 939 O TYR A 63 46.151 -9.384 9.363 1.00 10.00 O ATOM 940 CB TYR A 63 47.182 -12.543 9.480 1.00 10.00 C ATOM 941 CG TYR A 63 48.445 -11.761 9.212 1.00 10.00 C ATOM 942 CD1 TYR A 63 49.269 -11.345 10.272 1.00 10.00 C ATOM 943 CD2 TYR A 63 48.818 -11.505 7.878 1.00 10.00 C ATOM 944 CE1 TYR A 63 50.483 -10.692 9.994 1.00 10.00 C ATOM 945 CE2 TYR A 63 50.042 -10.877 7.596 1.00 10.00 C ATOM 946 CZ TYR A 63 50.887 -10.484 8.658 1.00 10.00 C ATOM 947 OH TYR A 63 52.085 -9.895 8.413 1.00 10.00 O ATOM 0 H TYR A 63 45.008 -13.536 9.725 1.00 10.00 H new ATOM 0 HA TYR A 63 46.173 -11.296 10.955 1.00 10.00 H new ATOM 0 HB2 TYR A 63 47.398 -13.307 10.227 1.00 10.00 H new ATOM 0 HB3 TYR A 63 46.895 -13.063 8.566 1.00 10.00 H new ATOM 0 HD1 TYR A 63 48.971 -11.526 11.294 1.00 10.00 H new ATOM 0 HD2 TYR A 63 48.161 -11.792 7.070 1.00 10.00 H new ATOM 0 HE1 TYR A 63 51.108 -10.349 10.805 1.00 10.00 H new ATOM 0 HE2 TYR A 63 50.336 -10.695 6.573 1.00 10.00 H new ATOM 0 HH TYR A 63 52.222 -9.822 7.445 1.00 10.00 H new ATOM 957 N ASN A 64 45.168 -10.765 7.873 1.00 10.00 N ATOM 958 CA ASN A 64 44.946 -9.768 6.834 1.00 10.00 C ATOM 959 C ASN A 64 43.942 -8.690 7.285 1.00 10.00 C ATOM 960 O ASN A 64 44.094 -7.523 6.933 1.00 10.00 O ATOM 961 CB ASN A 64 44.474 -10.484 5.556 1.00 10.00 C ATOM 962 CG ASN A 64 44.278 -9.523 4.394 1.00 10.00 C ATOM 963 OD1 ASN A 64 43.180 -9.062 4.113 1.00 10.00 O ATOM 964 ND2 ASN A 64 45.332 -9.187 3.683 1.00 10.00 N ATOM 0 H ASN A 64 44.809 -11.688 7.628 1.00 10.00 H new ATOM 0 HA ASN A 64 45.881 -9.246 6.630 1.00 10.00 H new ATOM 0 HB2 ASN A 64 45.204 -11.243 5.277 1.00 10.00 H new ATOM 0 HB3 ASN A 64 43.537 -11.002 5.758 1.00 10.00 H new ATOM 0 HD21 ASN A 64 45.234 -8.543 2.898 1.00 10.00 H new ATOM 0 HD22 ASN A 64 46.248 -9.571 3.916 1.00 10.00 H new ATOM 1108 N VAL A 74 46.444 4.397 8.786 1.00 10.00 N ATOM 1109 CA VAL A 74 47.483 5.086 8.015 1.00 10.00 C ATOM 1110 C VAL A 74 46.889 5.858 6.825 1.00 10.00 C ATOM 1111 O VAL A 74 47.270 7.005 6.590 1.00 10.00 O ATOM 1112 CB VAL A 74 48.533 4.044 7.585 1.00 10.00 C ATOM 1113 CG1 VAL A 74 49.508 4.585 6.547 1.00 10.00 C ATOM 1114 CG2 VAL A 74 49.351 3.579 8.799 1.00 10.00 C ATOM 0 HA VAL A 74 47.968 5.842 8.633 1.00 10.00 H new ATOM 0 HB VAL A 74 47.976 3.217 7.145 1.00 10.00 H new ATOM 0 HG11 VAL A 74 50.225 3.808 6.281 1.00 10.00 H new ATOM 0 HG12 VAL A 74 48.959 4.892 5.657 1.00 10.00 H new ATOM 0 HG13 VAL A 74 50.039 5.443 6.959 1.00 10.00 H new ATOM 0 HG21 VAL A 74 50.089 2.843 8.480 1.00 10.00 H new ATOM 0 HG22 VAL A 74 49.860 4.434 9.244 1.00 10.00 H new ATOM 0 HG23 VAL A 74 48.685 3.130 9.536 1.00 10.00 H new ATOM 1124 N LYS A 75 45.911 5.287 6.108 1.00 10.00 N ATOM 1125 CA LYS A 75 45.182 5.965 5.020 1.00 10.00 C ATOM 1126 C LYS A 75 44.428 7.211 5.512 1.00 10.00 C ATOM 1127 O LYS A 75 44.466 8.244 4.844 1.00 10.00 O ATOM 1128 CB LYS A 75 44.249 4.953 4.327 1.00 10.00 C ATOM 1129 CG LYS A 75 43.530 5.481 3.071 1.00 10.00 C ATOM 1130 CD LYS A 75 44.445 5.983 1.939 1.00 10.00 C ATOM 1131 CE LYS A 75 45.411 4.897 1.443 1.00 10.00 C ATOM 1132 NZ LYS A 75 46.235 5.376 0.301 1.00 10.00 N ATOM 0 H LYS A 75 45.598 4.329 6.267 1.00 10.00 H new ATOM 0 HA LYS A 75 45.904 6.332 4.290 1.00 10.00 H new ATOM 0 HB2 LYS A 75 44.832 4.075 4.051 1.00 10.00 H new ATOM 0 HB3 LYS A 75 43.498 4.624 5.045 1.00 10.00 H new ATOM 0 HG2 LYS A 75 42.897 4.686 2.676 1.00 10.00 H new ATOM 0 HG3 LYS A 75 42.870 6.296 3.368 1.00 10.00 H new ATOM 0 HD2 LYS A 75 43.832 6.329 1.106 1.00 10.00 H new ATOM 0 HD3 LYS A 75 45.017 6.841 2.291 1.00 10.00 H new ATOM 0 HE2 LYS A 75 46.064 4.590 2.260 1.00 10.00 H new ATOM 0 HE3 LYS A 75 44.845 4.017 1.139 1.00 10.00 H new ATOM 0 HZ1 LYS A 75 46.875 4.617 -0.008 1.00 10.00 H new ATOM 0 HZ2 LYS A 75 45.612 5.646 -0.487 1.00 10.00 H new ATOM 0 HZ3 LYS A 75 46.794 6.201 0.598 1.00 10.00 H new ATOM 1146 N SER A 76 43.823 7.156 6.700 1.00 10.00 N ATOM 1147 CA SER A 76 43.241 8.332 7.369 1.00 10.00 C ATOM 1148 C SER A 76 44.304 9.354 7.798 1.00 10.00 C ATOM 1149 O SER A 76 44.115 10.553 7.597 1.00 10.00 O ATOM 1150 CB SER A 76 42.413 7.913 8.590 1.00 10.00 C ATOM 1151 OG SER A 76 41.289 7.147 8.181 1.00 10.00 O ATOM 0 H SER A 76 43.720 6.292 7.232 1.00 10.00 H new ATOM 0 HA SER A 76 42.594 8.812 6.635 1.00 10.00 H new ATOM 0 HB2 SER A 76 43.030 7.330 9.274 1.00 10.00 H new ATOM 0 HB3 SER A 76 42.081 8.797 9.134 1.00 10.00 H new ATOM 0 HG SER A 76 40.769 6.884 8.969 1.00 10.00 H new ATOM 1157 N MET A 77 45.450 8.910 8.331 1.00 10.00 N ATOM 1158 CA MET A 77 46.572 9.792 8.693 1.00 10.00 C ATOM 1159 C MET A 77 47.176 10.527 7.480 1.00 10.00 C ATOM 1160 O MET A 77 47.610 11.673 7.610 1.00 10.00 O ATOM 1161 CB MET A 77 47.637 8.982 9.452 1.00 10.00 C ATOM 1162 CG MET A 77 48.728 9.874 10.057 1.00 10.00 C ATOM 1163 SD MET A 77 49.931 8.971 11.070 1.00 10.00 S ATOM 1164 CE MET A 77 50.983 10.356 11.588 1.00 10.00 C ATOM 0 H MET A 77 45.628 7.924 8.525 1.00 10.00 H new ATOM 0 HA MET A 77 46.183 10.575 9.344 1.00 10.00 H new ATOM 0 HB2 MET A 77 47.157 8.410 10.246 1.00 10.00 H new ATOM 0 HB3 MET A 77 48.095 8.263 8.773 1.00 10.00 H new ATOM 0 HG2 MET A 77 49.256 10.384 9.251 1.00 10.00 H new ATOM 0 HG3 MET A 77 48.257 10.644 10.668 1.00 10.00 H new ATOM 0 HE1 MET A 77 51.786 9.985 12.225 1.00 10.00 H new ATOM 0 HE2 MET A 77 51.411 10.837 10.708 1.00 10.00 H new ATOM 0 HE3 MET A 77 50.385 11.079 12.142 1.00 10.00 H new ATOM 1174 N LYS A 78 47.153 9.922 6.282 1.00 10.00 N ATOM 1175 CA LYS A 78 47.614 10.561 5.034 1.00 10.00 C ATOM 1176 C LYS A 78 46.840 11.844 4.682 1.00 10.00 C ATOM 1177 O LYS A 78 47.417 12.762 4.105 1.00 10.00 O ATOM 1178 CB LYS A 78 47.591 9.531 3.884 1.00 10.00 C ATOM 1179 CG LYS A 78 48.260 9.999 2.576 1.00 10.00 C ATOM 1180 CD LYS A 78 49.765 10.277 2.723 1.00 10.00 C ATOM 1181 CE LYS A 78 50.355 10.821 1.417 1.00 10.00 C ATOM 1182 NZ LYS A 78 51.784 11.189 1.589 1.00 10.00 N ATOM 0 H LYS A 78 46.812 8.970 6.149 1.00 10.00 H new ATOM 0 HA LYS A 78 48.641 10.891 5.192 1.00 10.00 H new ATOM 0 HB2 LYS A 78 48.086 8.621 4.222 1.00 10.00 H new ATOM 0 HB3 LYS A 78 46.554 9.270 3.671 1.00 10.00 H new ATOM 0 HG2 LYS A 78 48.112 9.239 1.809 1.00 10.00 H new ATOM 0 HG3 LYS A 78 47.764 10.904 2.227 1.00 10.00 H new ATOM 0 HD2 LYS A 78 49.929 10.995 3.527 1.00 10.00 H new ATOM 0 HD3 LYS A 78 50.282 9.360 3.005 1.00 10.00 H new ATOM 0 HE2 LYS A 78 50.261 10.071 0.632 1.00 10.00 H new ATOM 0 HE3 LYS A 78 49.788 11.694 1.094 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 52.154 11.570 0.695 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 51.870 11.909 2.334 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 52.330 10.346 1.858 1.00 10.00 H new ATOM 1196 N ASP A 79 45.573 11.961 5.088 1.00 10.00 N ATOM 1197 CA ASP A 79 44.789 13.199 4.950 1.00 10.00 C ATOM 1198 C ASP A 79 45.362 14.366 5.784 1.00 10.00 C ATOM 1199 O ASP A 79 45.283 15.524 5.369 1.00 10.00 O ATOM 1200 CB ASP A 79 43.330 12.925 5.343 1.00 10.00 C ATOM 1201 CG ASP A 79 42.413 14.121 5.038 1.00 10.00 C ATOM 1202 OD1 ASP A 79 42.167 14.406 3.841 1.00 10.00 O ATOM 1203 OD2 ASP A 79 41.909 14.762 5.992 1.00 10.00 O ATOM 0 H ASP A 79 45.056 11.198 5.524 1.00 10.00 H new ATOM 0 HA ASP A 79 44.843 13.509 3.906 1.00 10.00 H new ATOM 0 HB2 ASP A 79 42.970 12.047 4.807 1.00 10.00 H new ATOM 0 HB3 ASP A 79 43.279 12.692 6.407 1.00 10.00 H new ATOM 1208 N ILE A 80 45.990 14.067 6.929 1.00 10.00 N ATOM 1209 CA ILE A 80 46.703 15.047 7.766 1.00 10.00 C ATOM 1210 C ILE A 80 48.044 15.415 7.114 1.00 10.00 C ATOM 1211 O ILE A 80 48.369 16.593 6.966 1.00 10.00 O ATOM 1212 CB ILE A 80 46.919 14.512 9.207 1.00 10.00 C ATOM 1213 CG1 ILE A 80 45.619 13.923 9.813 1.00 10.00 C ATOM 1214 CG2 ILE A 80 47.472 15.641 10.098 1.00 10.00 C ATOM 1215 CD1 ILE A 80 45.794 13.299 11.204 1.00 10.00 C ATOM 0 H ILE A 80 46.018 13.121 7.308 1.00 10.00 H new ATOM 0 HA ILE A 80 46.088 15.944 7.841 1.00 10.00 H new ATOM 0 HB ILE A 80 47.642 13.697 9.159 1.00 10.00 H new ATOM 0 HG12 ILE A 80 44.871 14.713 9.874 1.00 10.00 H new ATOM 0 HG13 ILE A 80 45.227 13.165 9.135 1.00 10.00 H new ATOM 0 HG21 ILE A 80 47.623 15.265 11.110 1.00 10.00 H new ATOM 0 HG22 ILE A 80 48.422 15.990 9.695 1.00 10.00 H new ATOM 0 HG23 ILE A 80 46.762 16.468 10.121 1.00 10.00 H new ATOM 0 HD11 ILE A 80 44.836 12.912 11.552 1.00 10.00 H new ATOM 0 HD12 ILE A 80 46.516 12.484 11.149 1.00 10.00 H new ATOM 0 HD13 ILE A 80 46.154 14.057 11.900 1.00 10.00 H new ATOM 1227 N ASP A 81 48.798 14.412 6.659 1.00 10.00 N ATOM 1228 CA ASP A 81 50.084 14.578 5.958 1.00 10.00 C ATOM 1229 C ASP A 81 49.975 15.410 4.663 1.00 10.00 C ATOM 1230 O ASP A 81 50.903 16.139 4.307 1.00 10.00 O ATOM 1231 CB ASP A 81 50.666 13.188 5.680 1.00 10.00 C ATOM 1232 CG ASP A 81 52.040 13.238 4.996 1.00 10.00 C ATOM 1233 OD1 ASP A 81 53.034 13.619 5.659 1.00 10.00 O ATOM 1234 OD2 ASP A 81 52.130 12.853 3.805 1.00 10.00 O ATOM 0 H ASP A 81 48.529 13.434 6.768 1.00 10.00 H new ATOM 0 HA ASP A 81 50.752 15.148 6.604 1.00 10.00 H new ATOM 0 HB2 ASP A 81 50.754 12.642 6.620 1.00 10.00 H new ATOM 0 HB3 ASP A 81 49.973 12.629 5.051 1.00 10.00 H new ATOM 1239 N SER A 82 48.815 15.378 3.999 1.00 10.00 N ATOM 1240 CA SER A 82 48.473 16.227 2.844 1.00 10.00 C ATOM 1241 C SER A 82 48.596 17.742 3.119 1.00 10.00 C ATOM 1242 O SER A 82 48.803 18.530 2.192 1.00 10.00 O ATOM 1243 CB SER A 82 47.051 15.879 2.381 1.00 10.00 C ATOM 1244 OG SER A 82 46.776 16.408 1.093 1.00 10.00 O ATOM 0 H SER A 82 48.061 14.741 4.256 1.00 10.00 H new ATOM 0 HA SER A 82 49.202 16.016 2.061 1.00 10.00 H new ATOM 0 HB2 SER A 82 46.928 14.796 2.364 1.00 10.00 H new ATOM 0 HB3 SER A 82 46.329 16.270 3.097 1.00 10.00 H new ATOM 0 HG SER A 82 45.864 16.167 0.828 1.00 10.00 H new ATOM 1250 N SER A 83 48.534 18.168 4.389 1.00 10.00 N ATOM 1251 CA SER A 83 48.692 19.571 4.819 1.00 10.00 C ATOM 1252 C SER A 83 50.153 20.070 4.861 1.00 10.00 C ATOM 1253 O SER A 83 50.394 21.202 5.293 1.00 10.00 O ATOM 1254 CB SER A 83 48.047 19.785 6.198 1.00 10.00 C ATOM 1255 OG SER A 83 46.662 19.469 6.177 1.00 10.00 O ATOM 0 H SER A 83 48.368 17.532 5.169 1.00 10.00 H new ATOM 0 HA SER A 83 48.186 20.161 4.055 1.00 10.00 H new ATOM 0 HB2 SER A 83 48.552 19.164 6.938 1.00 10.00 H new ATOM 0 HB3 SER A 83 48.181 20.822 6.507 1.00 10.00 H new ATOM 0 HG SER A 83 46.280 19.613 7.068 1.00 10.00 H new