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 40 GLN : amide:sc= 0 X(o=-1.8,f=-2.2) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 60 MET CE :methyl -161:sc= -1.82 (180deg=-3.22!) USER MOD Set 2.1: A 42 ASN : amide:sc= 0.715 K(o=1.5,f=-2.4) USER MOD Set 2.2: A 45 LYS NZ :NH3+ 172:sc= 0.826 (180deg=0) USER MOD Set 3.1: A 34 LYS NZ :NH3+ -164:sc= 0.691 (180deg=0) USER MOD Set 3.2: A 37 GLN : amide:sc= 0.614 K(o=1.3,f=-3) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 44 THR OG1 : rot 55:sc= 1.25 USER MOD Single : A 46 ASN : amide:sc= -1.66 K(o=-1.7,f=-4.3!) USER MOD Single : A 48 SER OG : rot -40:sc= 0.614 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.28) USER MOD Single : A 57 GLN : amide:sc= -0.008 X(o=-0.008,f=-0.031) USER MOD Single : A 58 MET CE :methyl -171:sc=-0.000211 (180deg=-0.067) USER MOD Single : A 61 SER OG : rot 74:sc= 0.937 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 461 N LEU A 32 49.356 -12.388 16.435 1.00 10.00 N ATOM 462 CA LEU A 32 48.679 -12.885 15.229 1.00 10.00 C ATOM 463 C LEU A 32 49.689 -13.176 14.109 1.00 10.00 C ATOM 464 O LEU A 32 49.660 -14.227 13.469 1.00 10.00 O ATOM 465 CB LEU A 32 47.676 -11.799 14.793 1.00 10.00 C ATOM 466 CG LEU A 32 46.456 -12.211 13.951 1.00 10.00 C ATOM 467 CD1 LEU A 32 45.941 -10.948 13.256 1.00 10.00 C ATOM 468 CD2 LEU A 32 46.711 -13.283 12.893 1.00 10.00 C ATOM 0 HA LEU A 32 48.165 -13.823 15.439 1.00 10.00 H new ATOM 0 HB2 LEU A 32 47.305 -11.311 15.695 1.00 10.00 H new ATOM 0 HB3 LEU A 32 48.228 -11.048 14.228 1.00 10.00 H new ATOM 0 HG LEU A 32 45.740 -12.660 14.639 1.00 10.00 H new ATOM 0 HD11 LEU A 32 45.073 -11.197 12.646 1.00 10.00 H new ATOM 0 HD12 LEU A 32 45.658 -10.210 14.006 1.00 10.00 H new ATOM 0 HD13 LEU A 32 46.725 -10.537 12.620 1.00 10.00 H new ATOM 0 HD21 LEU A 32 45.784 -13.496 12.360 1.00 10.00 H new ATOM 0 HD22 LEU A 32 47.462 -12.927 12.188 1.00 10.00 H new ATOM 0 HD23 LEU A 32 47.069 -14.192 13.375 1.00 10.00 H new ATOM 480 N ASN A 33 50.643 -12.263 13.919 1.00 10.00 N ATOM 481 CA ASN A 33 51.740 -12.441 12.970 1.00 10.00 C ATOM 482 C ASN A 33 52.617 -13.659 13.321 1.00 10.00 C ATOM 483 O ASN A 33 53.041 -14.392 12.427 1.00 10.00 O ATOM 484 CB ASN A 33 52.543 -11.130 12.896 1.00 10.00 C ATOM 485 CG ASN A 33 53.729 -11.231 11.950 1.00 10.00 C ATOM 486 OD1 ASN A 33 54.880 -11.204 12.358 1.00 10.00 O ATOM 487 ND2 ASN A 33 53.493 -11.364 10.663 1.00 10.00 N ATOM 0 H ASN A 33 50.675 -11.376 14.422 1.00 10.00 H new ATOM 0 HA ASN A 33 51.335 -12.660 11.982 1.00 10.00 H new ATOM 0 HB2 ASN A 33 51.887 -10.323 12.568 1.00 10.00 H new ATOM 0 HB3 ASN A 33 52.898 -10.867 13.893 1.00 10.00 H new ATOM 0 HD21 ASN A 33 54.270 -11.444 10.008 1.00 10.00 H new ATOM 0 HD22 ASN A 33 52.533 -11.387 10.320 1.00 10.00 H new ATOM 494 N LYS A 34 52.827 -13.932 14.616 1.00 10.00 N ATOM 495 CA LYS A 34 53.533 -15.135 15.085 1.00 10.00 C ATOM 496 C LYS A 34 52.720 -16.417 14.880 1.00 10.00 C ATOM 497 O LYS A 34 53.295 -17.418 14.456 1.00 10.00 O ATOM 498 CB LYS A 34 53.984 -14.947 16.549 1.00 10.00 C ATOM 499 CG LYS A 34 55.053 -15.951 17.034 1.00 10.00 C ATOM 500 CD LYS A 34 56.513 -15.576 16.711 1.00 10.00 C ATOM 501 CE LYS A 34 56.809 -15.520 15.207 1.00 10.00 C ATOM 502 NZ LYS A 34 58.239 -15.252 14.917 1.00 10.00 N ATOM 0 H LYS A 34 52.511 -13.323 15.371 1.00 10.00 H new ATOM 0 HA LYS A 34 54.424 -15.262 14.470 1.00 10.00 H new ATOM 0 HB2 LYS A 34 54.376 -13.937 16.666 1.00 10.00 H new ATOM 0 HB3 LYS A 34 53.111 -15.028 17.196 1.00 10.00 H new ATOM 0 HG2 LYS A 34 54.956 -16.064 18.114 1.00 10.00 H new ATOM 0 HG3 LYS A 34 54.840 -16.924 16.591 1.00 10.00 H new ATOM 0 HD2 LYS A 34 56.738 -14.606 17.154 1.00 10.00 H new ATOM 0 HD3 LYS A 34 57.179 -16.302 17.178 1.00 10.00 H new ATOM 0 HE2 LYS A 34 56.520 -16.465 14.748 1.00 10.00 H new ATOM 0 HE3 LYS A 34 56.197 -14.743 14.749 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 58.343 -14.957 13.925 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 58.584 -14.495 15.541 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 58.794 -16.116 15.081 1.00 10.00 H new ATOM 516 N GLN A 35 51.396 -16.383 15.061 1.00 10.00 N ATOM 517 CA GLN A 35 50.506 -17.495 14.686 1.00 10.00 C ATOM 518 C GLN A 35 50.615 -17.818 13.191 1.00 10.00 C ATOM 519 O GLN A 35 50.676 -18.983 12.803 1.00 10.00 O ATOM 520 CB GLN A 35 49.029 -17.202 15.018 1.00 10.00 C ATOM 521 CG GLN A 35 48.706 -17.075 16.514 1.00 10.00 C ATOM 522 CD GLN A 35 47.206 -16.875 16.756 1.00 10.00 C ATOM 523 OE1 GLN A 35 46.351 -17.498 16.136 1.00 10.00 O ATOM 524 NE2 GLN A 35 46.809 -16.008 17.660 1.00 10.00 N ATOM 0 H GLN A 35 50.908 -15.587 15.471 1.00 10.00 H new ATOM 0 HA GLN A 35 50.835 -18.351 15.275 1.00 10.00 H new ATOM 0 HB2 GLN A 35 48.738 -16.277 14.520 1.00 10.00 H new ATOM 0 HB3 GLN A 35 48.414 -17.997 14.596 1.00 10.00 H new ATOM 0 HG2 GLN A 35 49.042 -17.971 17.036 1.00 10.00 H new ATOM 0 HG3 GLN A 35 49.258 -16.235 16.935 1.00 10.00 H new ATOM 0 HE21 GLN A 35 47.497 -15.475 18.192 1.00 10.00 H new ATOM 0 HE22 GLN A 35 45.813 -15.868 17.830 1.00 10.00 H new ATOM 533 N LEU A 36 50.675 -16.787 12.345 1.00 10.00 N ATOM 534 CA LEU A 36 50.760 -16.951 10.895 1.00 10.00 C ATOM 535 C LEU A 36 52.130 -17.448 10.434 1.00 10.00 C ATOM 536 O LEU A 36 52.191 -18.323 9.575 1.00 10.00 O ATOM 537 CB LEU A 36 50.355 -15.654 10.208 1.00 10.00 C ATOM 538 CG LEU A 36 50.161 -15.869 8.697 1.00 10.00 C ATOM 539 CD1 LEU A 36 49.070 -16.863 8.286 1.00 10.00 C ATOM 540 CD2 LEU A 36 49.734 -14.530 8.141 1.00 10.00 C ATOM 0 H LEU A 36 50.666 -15.813 12.649 1.00 10.00 H new ATOM 0 HA LEU A 36 50.060 -17.733 10.602 1.00 10.00 H new ATOM 0 HB2 LEU A 36 49.431 -15.279 10.647 1.00 10.00 H new ATOM 0 HB3 LEU A 36 51.119 -14.895 10.376 1.00 10.00 H new ATOM 0 HG LEU A 36 51.100 -16.277 8.323 1.00 10.00 H new ATOM 0 HD11 LEU A 36 49.029 -16.929 7.199 1.00 10.00 H new ATOM 0 HD12 LEU A 36 49.297 -17.845 8.701 1.00 10.00 H new ATOM 0 HD13 LEU A 36 48.106 -16.523 8.666 1.00 10.00 H new ATOM 0 HD21 LEU A 36 49.579 -14.615 7.065 1.00 10.00 H new ATOM 0 HD22 LEU A 36 48.805 -14.218 8.618 1.00 10.00 H new ATOM 0 HD23 LEU A 36 50.510 -13.790 8.338 1.00 10.00 H new ATOM 552 N GLN A 37 53.222 -16.960 11.025 1.00 10.00 N ATOM 553 CA GLN A 37 54.560 -17.506 10.760 1.00 10.00 C ATOM 554 C GLN A 37 54.710 -18.947 11.271 1.00 10.00 C ATOM 555 O GLN A 37 55.377 -19.757 10.630 1.00 10.00 O ATOM 556 CB GLN A 37 55.642 -16.602 11.368 1.00 10.00 C ATOM 557 CG GLN A 37 55.808 -15.282 10.595 1.00 10.00 C ATOM 558 CD GLN A 37 56.909 -14.382 11.160 1.00 10.00 C ATOM 559 OE1 GLN A 37 57.485 -14.609 12.219 1.00 10.00 O ATOM 560 NE2 GLN A 37 57.267 -13.324 10.465 1.00 10.00 N ATOM 0 H GLN A 37 53.209 -16.188 11.691 1.00 10.00 H new ATOM 0 HA GLN A 37 54.689 -17.533 9.678 1.00 10.00 H new ATOM 0 HB2 GLN A 37 55.387 -16.383 12.405 1.00 10.00 H new ATOM 0 HB3 GLN A 37 56.593 -17.135 11.379 1.00 10.00 H new ATOM 0 HG2 GLN A 37 56.031 -15.506 9.552 1.00 10.00 H new ATOM 0 HG3 GLN A 37 54.863 -14.740 10.609 1.00 10.00 H new ATOM 0 HE21 GLN A 37 56.803 -13.114 9.581 1.00 10.00 H new ATOM 0 HE22 GLN A 37 58.008 -12.714 10.810 1.00 10.00 H new ATOM 569 N ASP A 38 54.047 -19.310 12.372 1.00 10.00 N ATOM 570 CA ASP A 38 53.945 -20.703 12.823 1.00 10.00 C ATOM 571 C ASP A 38 53.137 -21.568 11.840 1.00 10.00 C ATOM 572 O ASP A 38 53.557 -22.681 11.519 1.00 10.00 O ATOM 573 CB ASP A 38 53.370 -20.770 14.244 1.00 10.00 C ATOM 574 CG ASP A 38 53.412 -22.204 14.798 1.00 10.00 C ATOM 575 OD1 ASP A 38 54.504 -22.656 15.218 1.00 10.00 O ATOM 576 OD2 ASP A 38 52.354 -22.875 14.832 1.00 10.00 O ATOM 0 H ASP A 38 53.565 -18.646 12.978 1.00 10.00 H new ATOM 0 HA ASP A 38 54.952 -21.119 12.847 1.00 10.00 H new ATOM 0 HB2 ASP A 38 53.937 -20.108 14.899 1.00 10.00 H new ATOM 0 HB3 ASP A 38 52.341 -20.410 14.239 1.00 10.00 H new ATOM 581 N ALA A 39 52.047 -21.032 11.275 1.00 10.00 N ATOM 582 CA ALA A 39 51.319 -21.683 10.185 1.00 10.00 C ATOM 583 C ALA A 39 52.223 -21.894 8.975 1.00 10.00 C ATOM 584 O ALA A 39 52.276 -22.991 8.431 1.00 10.00 O ATOM 585 CB ALA A 39 50.065 -20.895 9.765 1.00 10.00 C ATOM 0 H ALA A 39 51.649 -20.138 11.562 1.00 10.00 H new ATOM 0 HA ALA A 39 50.993 -22.651 10.565 1.00 10.00 H new ATOM 0 HB1 ALA A 39 49.560 -21.420 8.954 1.00 10.00 H new ATOM 0 HB2 ALA A 39 49.389 -20.807 10.616 1.00 10.00 H new ATOM 0 HB3 ALA A 39 50.356 -19.900 9.428 1.00 10.00 H new ATOM 591 N GLN A 40 52.975 -20.859 8.599 1.00 10.00 N ATOM 592 CA GLN A 40 53.902 -20.859 7.474 1.00 10.00 C ATOM 593 C GLN A 40 55.093 -21.793 7.700 1.00 10.00 C ATOM 594 O GLN A 40 55.665 -22.263 6.724 1.00 10.00 O ATOM 595 CB GLN A 40 54.379 -19.414 7.228 1.00 10.00 C ATOM 596 CG GLN A 40 54.927 -19.210 5.806 1.00 10.00 C ATOM 597 CD GLN A 40 55.254 -17.743 5.521 1.00 10.00 C ATOM 598 OE1 GLN A 40 55.982 -17.083 6.251 1.00 10.00 O ATOM 599 NE2 GLN A 40 54.729 -17.167 4.459 1.00 10.00 N ATOM 0 H GLN A 40 52.952 -19.965 9.090 1.00 10.00 H new ATOM 0 HA GLN A 40 53.380 -21.237 6.595 1.00 10.00 H new ATOM 0 HB2 GLN A 40 53.550 -18.727 7.396 1.00 10.00 H new ATOM 0 HB3 GLN A 40 55.154 -19.162 7.952 1.00 10.00 H new ATOM 0 HG2 GLN A 40 55.825 -19.814 5.674 1.00 10.00 H new ATOM 0 HG3 GLN A 40 54.195 -19.565 5.081 1.00 10.00 H new ATOM 0 HE21 GLN A 40 54.120 -17.700 3.838 1.00 10.00 H new ATOM 0 HE22 GLN A 40 54.932 -16.188 4.257 1.00 10.00 H new ATOM 608 N ALA A 41 55.479 -22.091 8.940 1.00 10.00 N ATOM 609 CA ALA A 41 56.451 -23.137 9.275 1.00 10.00 C ATOM 610 C ALA A 41 55.871 -24.552 9.279 1.00 10.00 C ATOM 611 O ALA A 41 56.528 -25.469 8.798 1.00 10.00 O ATOM 612 CB ALA A 41 57.178 -22.790 10.566 1.00 10.00 C ATOM 0 H ALA A 41 55.118 -21.602 9.759 1.00 10.00 H new ATOM 0 HA ALA A 41 57.183 -23.158 8.467 1.00 10.00 H new ATOM 0 HB1 ALA A 41 57.896 -23.576 10.802 1.00 10.00 H new ATOM 0 HB2 ALA A 41 57.703 -21.843 10.444 1.00 10.00 H new ATOM 0 HB3 ALA A 41 56.456 -22.703 11.378 1.00 10.00 H new ATOM 618 N ASN A 42 54.627 -24.756 9.736 1.00 10.00 N ATOM 619 CA ASN A 42 53.958 -26.045 9.541 1.00 10.00 C ATOM 620 C ASN A 42 53.750 -26.286 8.036 1.00 10.00 C ATOM 621 O ASN A 42 53.862 -27.414 7.555 1.00 10.00 O ATOM 622 CB ASN A 42 52.675 -26.151 10.382 1.00 10.00 C ATOM 623 CG ASN A 42 52.958 -26.034 11.876 1.00 10.00 C ATOM 624 OD1 ASN A 42 53.998 -26.453 12.376 1.00 10.00 O ATOM 625 ND2 ASN A 42 52.045 -25.476 12.637 1.00 10.00 N ATOM 0 H ASN A 42 54.074 -24.058 10.234 1.00 10.00 H new ATOM 0 HA ASN A 42 54.591 -26.852 9.909 1.00 10.00 H new ATOM 0 HB2 ASN A 42 51.980 -25.367 10.083 1.00 10.00 H new ATOM 0 HB3 ASN A 42 52.187 -27.104 10.179 1.00 10.00 H new ATOM 0 HD21 ASN A 42 52.201 -25.391 13.642 1.00 10.00 H new ATOM 0 HD22 ASN A 42 51.180 -25.127 12.224 1.00 10.00 H new ATOM 632 N LEU A 43 53.560 -25.199 7.281 1.00 10.00 N ATOM 633 CA LEU A 43 53.576 -25.191 5.838 1.00 10.00 C ATOM 634 C LEU A 43 54.990 -25.345 5.285 1.00 10.00 C ATOM 635 O LEU A 43 55.176 -26.035 4.308 1.00 10.00 O ATOM 636 CB LEU A 43 52.893 -23.905 5.333 1.00 10.00 C ATOM 637 CG LEU A 43 52.245 -24.126 3.978 1.00 10.00 C ATOM 638 CD1 LEU A 43 51.065 -25.057 4.180 1.00 10.00 C ATOM 639 CD2 LEU A 43 51.694 -22.855 3.360 1.00 10.00 C ATOM 0 H LEU A 43 53.386 -24.278 7.683 1.00 10.00 H new ATOM 0 HA LEU A 43 53.017 -26.052 5.471 1.00 10.00 H new ATOM 0 HB2 LEU A 43 52.139 -23.584 6.052 1.00 10.00 H new ATOM 0 HB3 LEU A 43 53.628 -23.103 5.262 1.00 10.00 H new ATOM 0 HG LEU A 43 53.013 -24.523 3.314 1.00 10.00 H new ATOM 0 HD11 LEU A 43 50.576 -25.237 3.223 1.00 10.00 H new ATOM 0 HD12 LEU A 43 51.415 -26.003 4.592 1.00 10.00 H new ATOM 0 HD13 LEU A 43 50.355 -24.601 4.870 1.00 10.00 H new ATOM 0 HD21 LEU A 43 51.245 -23.085 2.394 1.00 10.00 H new ATOM 0 HD22 LEU A 43 50.938 -22.428 4.019 1.00 10.00 H new ATOM 0 HD23 LEU A 43 52.503 -22.137 3.223 1.00 10.00 H new ATOM 651 N THR A 44 56.028 -24.804 5.907 1.00 10.00 N ATOM 652 CA THR A 44 57.403 -24.975 5.411 1.00 10.00 C ATOM 653 C THR A 44 57.824 -26.445 5.455 1.00 10.00 C ATOM 654 O THR A 44 58.492 -26.945 4.546 1.00 10.00 O ATOM 655 CB THR A 44 58.409 -24.132 6.197 1.00 10.00 C ATOM 656 OG1 THR A 44 58.237 -22.760 5.911 1.00 10.00 O ATOM 657 CG2 THR A 44 59.834 -24.501 5.821 1.00 10.00 C ATOM 0 H THR A 44 55.953 -24.242 6.755 1.00 10.00 H new ATOM 0 HA THR A 44 57.405 -24.630 4.377 1.00 10.00 H new ATOM 0 HB THR A 44 58.235 -24.327 7.255 1.00 10.00 H new ATOM 0 HG1 THR A 44 57.306 -22.505 6.079 1.00 10.00 H new ATOM 0 HG21 THR A 44 60.531 -23.889 6.393 1.00 10.00 H new ATOM 0 HG22 THR A 44 60.008 -25.554 6.044 1.00 10.00 H new ATOM 0 HG23 THR A 44 59.986 -24.326 4.756 1.00 10.00 H new ATOM 665 N LYS A 45 57.409 -27.148 6.512 1.00 10.00 N ATOM 666 CA LYS A 45 57.619 -28.594 6.676 1.00 10.00 C ATOM 667 C LYS A 45 56.964 -29.417 5.562 1.00 10.00 C ATOM 668 O LYS A 45 57.523 -30.434 5.147 1.00 10.00 O ATOM 669 CB LYS A 45 57.097 -29.003 8.057 1.00 10.00 C ATOM 670 CG LYS A 45 57.893 -28.430 9.243 1.00 10.00 C ATOM 671 CD LYS A 45 57.100 -28.581 10.554 1.00 10.00 C ATOM 672 CE LYS A 45 57.582 -27.577 11.610 1.00 10.00 C ATOM 673 NZ LYS A 45 56.683 -27.549 12.795 1.00 10.00 N ATOM 0 H LYS A 45 56.909 -26.724 7.293 1.00 10.00 H new ATOM 0 HA LYS A 45 58.686 -28.804 6.602 1.00 10.00 H new ATOM 0 HB2 LYS A 45 56.059 -28.684 8.147 1.00 10.00 H new ATOM 0 HB3 LYS A 45 57.103 -30.091 8.125 1.00 10.00 H new ATOM 0 HG2 LYS A 45 58.849 -28.946 9.329 1.00 10.00 H new ATOM 0 HG3 LYS A 45 58.114 -27.378 9.065 1.00 10.00 H new ATOM 0 HD2 LYS A 45 56.038 -28.428 10.360 1.00 10.00 H new ATOM 0 HD3 LYS A 45 57.211 -29.596 10.935 1.00 10.00 H new ATOM 0 HE2 LYS A 45 58.592 -27.838 11.926 1.00 10.00 H new ATOM 0 HE3 LYS A 45 57.633 -26.582 11.169 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 57.110 -26.964 13.541 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 55.763 -27.147 12.524 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 56.546 -28.517 13.150 1.00 10.00 H new ATOM 687 N ASN A 46 55.818 -28.965 5.044 1.00 10.00 N ATOM 688 CA ASN A 46 55.147 -29.506 3.874 1.00 10.00 C ATOM 689 C ASN A 46 54.330 -28.431 3.117 1.00 10.00 C ATOM 690 O ASN A 46 53.167 -28.203 3.462 1.00 10.00 O ATOM 691 CB ASN A 46 54.342 -30.722 4.320 1.00 10.00 C ATOM 692 CG ASN A 46 53.797 -31.524 3.141 1.00 10.00 C ATOM 693 OD1 ASN A 46 53.658 -31.051 2.021 1.00 10.00 O ATOM 694 ND2 ASN A 46 53.513 -32.792 3.341 1.00 10.00 N ATOM 0 H ASN A 46 55.316 -28.177 5.452 1.00 10.00 H new ATOM 0 HA ASN A 46 55.873 -29.835 3.130 1.00 10.00 H new ATOM 0 HB2 ASN A 46 54.972 -31.366 4.934 1.00 10.00 H new ATOM 0 HB3 ASN A 46 53.513 -30.395 4.948 1.00 10.00 H new ATOM 0 HD21 ASN A 46 53.181 -33.368 2.568 1.00 10.00 H new ATOM 0 HD22 ASN A 46 53.624 -33.199 4.270 1.00 10.00 H new ATOM 701 N PRO A 47 54.940 -27.730 2.131 1.00 10.00 N ATOM 702 CA PRO A 47 54.378 -26.544 1.469 1.00 10.00 C ATOM 703 C PRO A 47 52.953 -26.617 0.916 1.00 10.00 C ATOM 704 O PRO A 47 52.347 -25.566 0.700 1.00 10.00 O ATOM 705 CB PRO A 47 55.376 -26.181 0.389 1.00 10.00 C ATOM 706 CG PRO A 47 56.714 -26.534 1.028 1.00 10.00 C ATOM 707 CD PRO A 47 56.385 -27.749 1.896 1.00 10.00 C ATOM 0 HA PRO A 47 54.242 -25.785 2.239 1.00 10.00 H new ATOM 0 HB2 PRO A 47 55.204 -26.747 -0.527 1.00 10.00 H new ATOM 0 HB3 PRO A 47 55.320 -25.125 0.126 1.00 10.00 H new ATOM 0 HG2 PRO A 47 57.468 -26.770 0.277 1.00 10.00 H new ATOM 0 HG3 PRO A 47 57.105 -25.709 1.624 1.00 10.00 H new ATOM 0 HD2 PRO A 47 56.682 -28.671 1.397 1.00 10.00 H new ATOM 0 HD3 PRO A 47 56.929 -27.708 2.839 1.00 10.00 H new ATOM 715 N SER A 48 52.399 -27.813 0.698 1.00 10.00 N ATOM 716 CA SER A 48 50.982 -27.987 0.383 1.00 10.00 C ATOM 717 C SER A 48 50.317 -29.154 1.128 1.00 10.00 C ATOM 718 O SER A 48 49.448 -29.855 0.604 1.00 10.00 O ATOM 719 CB SER A 48 50.768 -27.869 -1.119 1.00 10.00 C ATOM 720 OG SER A 48 49.448 -28.139 -1.564 1.00 10.00 O ATOM 0 H SER A 48 52.923 -28.688 0.735 1.00 10.00 H new ATOM 0 HA SER A 48 50.404 -27.164 0.802 1.00 10.00 H new ATOM 0 HB2 SER A 48 51.040 -26.861 -1.431 1.00 10.00 H new ATOM 0 HB3 SER A 48 51.451 -28.553 -1.622 1.00 10.00 H new ATOM 0 HG SER A 48 49.085 -28.902 -1.067 1.00 10.00 H new ATOM 726 N ASP A 49 50.750 -29.383 2.371 1.00 10.00 N ATOM 727 CA ASP A 49 50.036 -30.262 3.304 1.00 10.00 C ATOM 728 C ASP A 49 48.687 -29.560 3.528 1.00 10.00 C ATOM 729 O ASP A 49 48.662 -28.380 3.880 1.00 10.00 O ATOM 730 CB ASP A 49 50.850 -30.478 4.591 1.00 10.00 C ATOM 731 CG ASP A 49 50.065 -31.052 5.792 1.00 10.00 C ATOM 732 OD1 ASP A 49 48.971 -30.547 6.134 1.00 10.00 O ATOM 733 OD2 ASP A 49 50.555 -32.032 6.405 1.00 10.00 O ATOM 0 H ASP A 49 51.598 -28.969 2.757 1.00 10.00 H new ATOM 0 HA ASP A 49 49.884 -31.271 2.922 1.00 10.00 H new ATOM 0 HB2 ASP A 49 51.678 -31.151 4.367 1.00 10.00 H new ATOM 0 HB3 ASP A 49 51.286 -29.524 4.888 1.00 10.00 H new ATOM 738 N PRO A 50 47.555 -30.229 3.288 1.00 10.00 N ATOM 739 CA PRO A 50 46.269 -29.559 3.248 1.00 10.00 C ATOM 740 C PRO A 50 45.760 -29.041 4.588 1.00 10.00 C ATOM 741 O PRO A 50 45.005 -28.078 4.589 1.00 10.00 O ATOM 742 CB PRO A 50 45.315 -30.570 2.648 1.00 10.00 C ATOM 743 CG PRO A 50 45.937 -31.931 2.974 1.00 10.00 C ATOM 744 CD PRO A 50 47.435 -31.643 3.000 1.00 10.00 C ATOM 0 HA PRO A 50 46.359 -28.647 2.658 1.00 10.00 H new ATOM 0 HB2 PRO A 50 44.318 -30.477 3.078 1.00 10.00 H new ATOM 0 HB3 PRO A 50 45.213 -30.429 1.572 1.00 10.00 H new ATOM 0 HG2 PRO A 50 45.585 -32.313 3.932 1.00 10.00 H new ATOM 0 HG3 PRO A 50 45.685 -32.678 2.221 1.00 10.00 H new ATOM 0 HD2 PRO A 50 47.936 -32.242 3.761 1.00 10.00 H new ATOM 0 HD3 PRO A 50 47.898 -31.889 2.044 1.00 10.00 H new ATOM 752 N THR A 51 46.169 -29.614 5.719 1.00 10.00 N ATOM 753 CA THR A 51 45.873 -29.053 7.048 1.00 10.00 C ATOM 754 C THR A 51 46.812 -27.905 7.372 1.00 10.00 C ATOM 755 O THR A 51 46.348 -26.898 7.884 1.00 10.00 O ATOM 756 CB THR A 51 45.992 -30.141 8.109 1.00 10.00 C ATOM 757 OG1 THR A 51 44.854 -30.980 8.068 1.00 10.00 O ATOM 758 CG2 THR A 51 46.134 -29.607 9.532 1.00 10.00 C ATOM 0 H THR A 51 46.713 -30.476 5.746 1.00 10.00 H new ATOM 0 HA THR A 51 44.853 -28.668 7.040 1.00 10.00 H new ATOM 0 HB THR A 51 46.906 -30.685 7.869 1.00 10.00 H new ATOM 0 HG1 THR A 51 44.937 -31.678 8.751 1.00 10.00 H new ATOM 0 HG21 THR A 51 46.213 -30.442 10.228 1.00 10.00 H new ATOM 0 HG22 THR A 51 47.030 -28.991 9.602 1.00 10.00 H new ATOM 0 HG23 THR A 51 45.260 -29.006 9.784 1.00 10.00 H new ATOM 766 N ALA A 52 48.098 -27.994 7.042 1.00 10.00 N ATOM 767 CA ALA A 52 49.022 -26.865 7.120 1.00 10.00 C ATOM 768 C ALA A 52 48.535 -25.677 6.298 1.00 10.00 C ATOM 769 O ALA A 52 48.589 -24.535 6.757 1.00 10.00 O ATOM 770 CB ALA A 52 50.392 -27.373 6.647 1.00 10.00 C ATOM 0 H ALA A 52 48.531 -28.856 6.711 1.00 10.00 H new ATOM 0 HA ALA A 52 49.090 -26.496 8.144 1.00 10.00 H new ATOM 0 HB1 ALA A 52 51.116 -26.559 6.689 1.00 10.00 H new ATOM 0 HB2 ALA A 52 50.722 -28.186 7.294 1.00 10.00 H new ATOM 0 HB3 ALA A 52 50.312 -27.735 5.622 1.00 10.00 H new ATOM 776 N LEU A 53 48.016 -25.948 5.108 1.00 10.00 N ATOM 777 CA LEU A 53 47.548 -24.937 4.179 1.00 10.00 C ATOM 778 C LEU A 53 46.153 -24.440 4.566 1.00 10.00 C ATOM 779 O LEU A 53 45.896 -23.244 4.489 1.00 10.00 O ATOM 780 CB LEU A 53 47.662 -25.555 2.778 1.00 10.00 C ATOM 781 CG LEU A 53 47.697 -24.613 1.565 1.00 10.00 C ATOM 782 CD1 LEU A 53 48.167 -23.200 1.868 1.00 10.00 C ATOM 783 CD2 LEU A 53 48.706 -25.200 0.581 1.00 10.00 C ATOM 0 H LEU A 53 47.908 -26.900 4.757 1.00 10.00 H new ATOM 0 HA LEU A 53 48.151 -24.029 4.201 1.00 10.00 H new ATOM 0 HB2 LEU A 53 48.568 -26.160 2.755 1.00 10.00 H new ATOM 0 HB3 LEU A 53 46.821 -26.236 2.646 1.00 10.00 H new ATOM 0 HG LEU A 53 46.675 -24.540 1.193 1.00 10.00 H new ATOM 0 HD11 LEU A 53 48.158 -22.609 0.952 1.00 10.00 H new ATOM 0 HD12 LEU A 53 47.500 -22.744 2.600 1.00 10.00 H new ATOM 0 HD13 LEU A 53 49.180 -23.232 2.270 1.00 10.00 H new ATOM 0 HD21 LEU A 53 48.767 -24.563 -0.301 1.00 10.00 H new ATOM 0 HD22 LEU A 53 49.686 -25.257 1.055 1.00 10.00 H new ATOM 0 HD23 LEU A 53 48.387 -26.200 0.286 1.00 10.00 H new ATOM 795 N ALA A 54 45.286 -25.312 5.088 1.00 10.00 N ATOM 796 CA ALA A 54 44.019 -24.925 5.705 1.00 10.00 C ATOM 797 C ALA A 54 44.250 -24.030 6.932 1.00 10.00 C ATOM 798 O ALA A 54 43.561 -23.030 7.122 1.00 10.00 O ATOM 799 CB ALA A 54 43.254 -26.193 6.120 1.00 10.00 C ATOM 0 H ALA A 54 45.449 -26.319 5.093 1.00 10.00 H new ATOM 0 HA ALA A 54 43.436 -24.357 4.980 1.00 10.00 H new ATOM 0 HB1 ALA A 54 42.307 -25.912 6.581 1.00 10.00 H new ATOM 0 HB2 ALA A 54 43.061 -26.806 5.240 1.00 10.00 H new ATOM 0 HB3 ALA A 54 43.851 -26.761 6.834 1.00 10.00 H new ATOM 805 N ASN A 55 45.256 -24.370 7.741 1.00 10.00 N ATOM 806 CA ASN A 55 45.660 -23.648 8.938 1.00 10.00 C ATOM 807 C ASN A 55 46.199 -22.262 8.581 1.00 10.00 C ATOM 808 O ASN A 55 45.693 -21.251 9.061 1.00 10.00 O ATOM 809 CB ASN A 55 46.721 -24.500 9.654 1.00 10.00 C ATOM 810 CG ASN A 55 47.374 -23.845 10.841 1.00 10.00 C ATOM 811 OD1 ASN A 55 46.748 -23.534 11.842 1.00 10.00 O ATOM 812 ND2 ASN A 55 48.669 -23.656 10.755 1.00 10.00 N ATOM 0 H ASN A 55 45.833 -25.193 7.567 1.00 10.00 H new ATOM 0 HA ASN A 55 44.807 -23.487 9.597 1.00 10.00 H new ATOM 0 HB2 ASN A 55 46.256 -25.430 9.982 1.00 10.00 H new ATOM 0 HB3 ASN A 55 47.495 -24.767 8.935 1.00 10.00 H new ATOM 0 HD21 ASN A 55 49.177 -23.240 11.536 1.00 10.00 H new ATOM 0 HD22 ASN A 55 49.168 -23.925 9.907 1.00 10.00 H new ATOM 819 N TYR A 56 47.176 -22.221 7.676 1.00 10.00 N ATOM 820 CA TYR A 56 47.676 -20.976 7.077 1.00 10.00 C ATOM 821 C TYR A 56 46.569 -20.137 6.452 1.00 10.00 C ATOM 822 O TYR A 56 46.485 -18.963 6.773 1.00 10.00 O ATOM 823 CB TYR A 56 48.807 -21.334 6.103 1.00 10.00 C ATOM 824 CG TYR A 56 49.464 -20.258 5.263 1.00 10.00 C ATOM 825 CD1 TYR A 56 50.535 -19.515 5.797 1.00 10.00 C ATOM 826 CD2 TYR A 56 49.162 -20.164 3.889 1.00 10.00 C ATOM 827 CE1 TYR A 56 51.335 -18.726 4.952 1.00 10.00 C ATOM 828 CE2 TYR A 56 49.971 -19.388 3.037 1.00 10.00 C ATOM 829 CZ TYR A 56 51.083 -18.691 3.564 1.00 10.00 C ATOM 830 OH TYR A 56 51.909 -17.975 2.751 1.00 10.00 O ATOM 0 H TYR A 56 47.650 -23.057 7.332 1.00 10.00 H new ATOM 0 HA TYR A 56 48.080 -20.329 7.856 1.00 10.00 H new ATOM 0 HB2 TYR A 56 49.594 -21.814 6.685 1.00 10.00 H new ATOM 0 HB3 TYR A 56 48.416 -22.085 5.416 1.00 10.00 H new ATOM 0 HD1 TYR A 56 50.742 -19.551 6.856 1.00 10.00 H new ATOM 0 HD2 TYR A 56 48.307 -20.689 3.489 1.00 10.00 H new ATOM 0 HE1 TYR A 56 52.145 -18.145 5.367 1.00 10.00 H new ATOM 0 HE2 TYR A 56 49.743 -19.325 1.983 1.00 10.00 H new ATOM 0 HH TYR A 56 51.602 -18.052 1.823 1.00 10.00 H new ATOM 840 N GLN A 57 45.646 -20.711 5.684 1.00 10.00 N ATOM 841 CA GLN A 57 44.518 -19.960 5.113 1.00 10.00 C ATOM 842 C GLN A 57 43.563 -19.412 6.189 1.00 10.00 C ATOM 843 O GLN A 57 43.109 -18.272 6.085 1.00 10.00 O ATOM 844 CB GLN A 57 43.743 -20.830 4.107 1.00 10.00 C ATOM 845 CG GLN A 57 44.460 -20.974 2.754 1.00 10.00 C ATOM 846 CD GLN A 57 44.359 -19.709 1.903 1.00 10.00 C ATOM 847 OE1 GLN A 57 45.204 -18.825 1.944 1.00 10.00 O ATOM 848 NE2 GLN A 57 43.322 -19.566 1.101 1.00 10.00 N ATOM 0 H GLN A 57 45.653 -21.701 5.438 1.00 10.00 H new ATOM 0 HA GLN A 57 44.944 -19.101 4.595 1.00 10.00 H new ATOM 0 HB2 GLN A 57 43.588 -21.820 4.536 1.00 10.00 H new ATOM 0 HB3 GLN A 57 42.757 -20.395 3.944 1.00 10.00 H new ATOM 0 HG2 GLN A 57 45.510 -21.210 2.926 1.00 10.00 H new ATOM 0 HG3 GLN A 57 44.030 -21.813 2.206 1.00 10.00 H new ATOM 0 HE21 GLN A 57 42.609 -20.294 1.055 1.00 10.00 H new ATOM 0 HE22 GLN A 57 43.233 -18.728 0.527 1.00 10.00 H new ATOM 857 N MET A 58 43.278 -20.185 7.241 1.00 10.00 N ATOM 858 CA MET A 58 42.409 -19.788 8.357 1.00 10.00 C ATOM 859 C MET A 58 43.023 -18.672 9.208 1.00 10.00 C ATOM 860 O MET A 58 42.363 -17.673 9.501 1.00 10.00 O ATOM 861 CB MET A 58 42.083 -21.047 9.179 1.00 10.00 C ATOM 862 CG MET A 58 41.240 -20.808 10.439 1.00 10.00 C ATOM 863 SD MET A 58 42.127 -20.251 11.927 1.00 10.00 S ATOM 864 CE MET A 58 43.017 -21.769 12.377 1.00 10.00 C ATOM 0 H MET A 58 43.654 -21.128 7.344 1.00 10.00 H new ATOM 0 HA MET A 58 41.485 -19.362 7.966 1.00 10.00 H new ATOM 0 HB2 MET A 58 41.556 -21.753 8.538 1.00 10.00 H new ATOM 0 HB3 MET A 58 43.019 -21.521 9.473 1.00 10.00 H new ATOM 0 HG2 MET A 58 40.477 -20.067 10.201 1.00 10.00 H new ATOM 0 HG3 MET A 58 40.720 -21.735 10.681 1.00 10.00 H new ATOM 0 HE1 MET A 58 43.480 -21.643 13.355 1.00 10.00 H new ATOM 0 HE2 MET A 58 42.317 -22.604 12.412 1.00 10.00 H new ATOM 0 HE3 MET A 58 43.788 -21.973 11.634 1.00 10.00 H new ATOM 874 N ILE A 59 44.305 -18.793 9.548 1.00 10.00 N ATOM 875 CA ILE A 59 45.045 -17.784 10.290 1.00 10.00 C ATOM 876 C ILE A 59 45.276 -16.556 9.408 1.00 10.00 C ATOM 877 O ILE A 59 45.196 -15.434 9.897 1.00 10.00 O ATOM 878 CB ILE A 59 46.349 -18.426 10.797 1.00 10.00 C ATOM 879 CG1 ILE A 59 46.054 -19.541 11.829 1.00 10.00 C ATOM 880 CG2 ILE A 59 47.272 -17.408 11.457 1.00 10.00 C ATOM 881 CD1 ILE A 59 47.295 -20.370 12.159 1.00 10.00 C ATOM 0 H ILE A 59 44.865 -19.611 9.309 1.00 10.00 H new ATOM 0 HA ILE A 59 44.485 -17.432 11.156 1.00 10.00 H new ATOM 0 HB ILE A 59 46.842 -18.842 9.918 1.00 10.00 H new ATOM 0 HG12 ILE A 59 45.666 -19.093 12.744 1.00 10.00 H new ATOM 0 HG13 ILE A 59 45.275 -20.196 11.440 1.00 10.00 H new ATOM 0 HG21 ILE A 59 48.179 -17.907 11.799 1.00 10.00 H new ATOM 0 HG22 ILE A 59 47.534 -16.633 10.736 1.00 10.00 H new ATOM 0 HG23 ILE A 59 46.764 -16.955 12.308 1.00 10.00 H new ATOM 0 HD11 ILE A 59 47.036 -21.139 12.887 1.00 10.00 H new ATOM 0 HD12 ILE A 59 47.669 -20.842 11.251 1.00 10.00 H new ATOM 0 HD13 ILE A 59 48.066 -19.721 12.575 1.00 10.00 H new ATOM 893 N MET A 60 45.491 -16.732 8.103 1.00 10.00 N ATOM 894 CA MET A 60 45.629 -15.619 7.164 1.00 10.00 C ATOM 895 C MET A 60 44.318 -14.851 6.955 1.00 10.00 C ATOM 896 O MET A 60 44.335 -13.630 6.804 1.00 10.00 O ATOM 897 CB MET A 60 46.210 -16.097 5.835 1.00 10.00 C ATOM 898 CG MET A 60 46.863 -14.933 5.101 1.00 10.00 C ATOM 899 SD MET A 60 47.774 -15.416 3.614 1.00 10.00 S ATOM 900 CE MET A 60 49.191 -16.183 4.440 1.00 10.00 C ATOM 0 H MET A 60 45.574 -17.651 7.668 1.00 10.00 H new ATOM 0 HA MET A 60 46.329 -14.914 7.613 1.00 10.00 H new ATOM 0 HB2 MET A 60 46.944 -16.883 6.012 1.00 10.00 H new ATOM 0 HB3 MET A 60 45.422 -16.529 5.219 1.00 10.00 H new ATOM 0 HG2 MET A 60 46.092 -14.213 4.824 1.00 10.00 H new ATOM 0 HG3 MET A 60 47.545 -14.424 5.783 1.00 10.00 H new ATOM 0 HE1 MET A 60 50.026 -16.249 3.743 1.00 10.00 H new ATOM 0 HE2 MET A 60 49.482 -15.579 5.299 1.00 10.00 H new ATOM 0 HE3 MET A 60 48.919 -17.184 4.776 1.00 10.00 H new ATOM 910 N SER A 61 43.178 -15.541 7.014 1.00 10.00 N ATOM 911 CA SER A 61 41.841 -14.929 7.010 1.00 10.00 C ATOM 912 C SER A 61 41.616 -14.024 8.231 1.00 10.00 C ATOM 913 O SER A 61 41.012 -12.958 8.106 1.00 10.00 O ATOM 914 CB SER A 61 40.751 -16.011 6.943 1.00 10.00 C ATOM 915 OG SER A 61 40.799 -16.690 5.698 1.00 10.00 O ATOM 0 H SER A 61 43.154 -16.559 7.067 1.00 10.00 H new ATOM 0 HA SER A 61 41.778 -14.302 6.120 1.00 10.00 H new ATOM 0 HB2 SER A 61 40.887 -16.723 7.757 1.00 10.00 H new ATOM 0 HB3 SER A 61 39.770 -15.556 7.078 1.00 10.00 H new ATOM 0 HG SER A 61 41.572 -17.292 5.683 1.00 10.00 H new ATOM 921 N GLU A 62 42.152 -14.397 9.399 1.00 10.00 N ATOM 922 CA GLU A 62 42.201 -13.532 10.588 1.00 10.00 C ATOM 923 C GLU A 62 43.240 -12.404 10.437 1.00 10.00 C ATOM 924 O GLU A 62 42.953 -11.237 10.710 1.00 10.00 O ATOM 925 CB GLU A 62 42.497 -14.407 11.823 1.00 10.00 C ATOM 926 CG GLU A 62 42.389 -13.670 13.166 1.00 10.00 C ATOM 927 CD GLU A 62 40.924 -13.357 13.530 1.00 10.00 C ATOM 928 OE1 GLU A 62 40.270 -14.197 14.197 1.00 10.00 O ATOM 929 OE2 GLU A 62 40.416 -12.272 13.159 1.00 10.00 O ATOM 0 H GLU A 62 42.568 -15.316 9.549 1.00 10.00 H new ATOM 0 HA GLU A 62 41.235 -13.041 10.710 1.00 10.00 H new ATOM 0 HB2 GLU A 62 41.806 -15.250 11.829 1.00 10.00 H new ATOM 0 HB3 GLU A 62 43.502 -14.819 11.729 1.00 10.00 H new ATOM 0 HG2 GLU A 62 42.837 -14.278 13.952 1.00 10.00 H new ATOM 0 HG3 GLU A 62 42.958 -12.742 13.118 1.00 10.00 H new ATOM 936 N TYR A 63 44.435 -12.739 9.945 1.00 10.00 N ATOM 937 CA TYR A 63 45.550 -11.810 9.745 1.00 10.00 C ATOM 938 C TYR A 63 45.199 -10.641 8.831 1.00 10.00 C ATOM 939 O TYR A 63 45.513 -9.496 9.151 1.00 10.00 O ATOM 940 CB TYR A 63 46.762 -12.575 9.207 1.00 10.00 C ATOM 941 CG TYR A 63 47.967 -11.726 8.866 1.00 10.00 C ATOM 942 CD1 TYR A 63 48.783 -11.187 9.879 1.00 10.00 C ATOM 943 CD2 TYR A 63 48.295 -11.526 7.511 1.00 10.00 C ATOM 944 CE1 TYR A 63 49.941 -10.464 9.536 1.00 10.00 C ATOM 945 CE2 TYR A 63 49.459 -10.823 7.166 1.00 10.00 C ATOM 946 CZ TYR A 63 50.292 -10.296 8.178 1.00 10.00 C ATOM 947 OH TYR A 63 51.424 -9.618 7.843 1.00 10.00 O ATOM 0 H TYR A 63 44.660 -13.694 9.666 1.00 10.00 H new ATOM 0 HA TYR A 63 45.788 -11.373 10.715 1.00 10.00 H new ATOM 0 HB2 TYR A 63 47.060 -13.317 9.948 1.00 10.00 H new ATOM 0 HB3 TYR A 63 46.459 -13.120 8.313 1.00 10.00 H new ATOM 0 HD1 TYR A 63 48.521 -11.328 10.917 1.00 10.00 H new ATOM 0 HD2 TYR A 63 47.650 -11.914 6.737 1.00 10.00 H new ATOM 0 HE1 TYR A 63 50.561 -10.038 10.311 1.00 10.00 H new ATOM 0 HE2 TYR A 63 49.718 -10.685 6.127 1.00 10.00 H new ATOM 0 HH TYR A 63 51.516 -9.596 6.868 1.00 10.00 H new ATOM 957 N ASN A 64 44.513 -10.909 7.721 1.00 10.00 N ATOM 958 CA ASN A 64 44.235 -9.911 6.691 1.00 10.00 C ATOM 959 C ASN A 64 43.354 -8.739 7.196 1.00 10.00 C ATOM 960 O ASN A 64 43.423 -7.637 6.651 1.00 10.00 O ATOM 961 CB ASN A 64 43.596 -10.623 5.486 1.00 10.00 C ATOM 962 CG ASN A 64 43.443 -9.699 4.289 1.00 10.00 C ATOM 963 OD1 ASN A 64 44.409 -9.163 3.761 1.00 10.00 O ATOM 964 ND2 ASN A 64 42.236 -9.482 3.813 1.00 10.00 N ATOM 0 H ASN A 64 44.132 -11.831 7.510 1.00 10.00 H new ATOM 0 HA ASN A 64 45.177 -9.448 6.397 1.00 10.00 H new ATOM 0 HB2 ASN A 64 44.209 -11.480 5.206 1.00 10.00 H new ATOM 0 HB3 ASN A 64 42.618 -11.010 5.772 1.00 10.00 H new ATOM 0 HD21 ASN A 64 42.108 -8.870 3.007 1.00 10.00 H new ATOM 0 HD22 ASN A 64 41.428 -9.926 4.249 1.00 10.00 H new ATOM 1108 N VAL A 74 54.724 -1.882 9.189 1.00 10.00 N ATOM 1109 CA VAL A 74 55.495 -2.441 8.069 1.00 10.00 C ATOM 1110 C VAL A 74 56.181 -1.341 7.245 1.00 10.00 C ATOM 1111 O VAL A 74 57.315 -1.525 6.801 1.00 10.00 O ATOM 1112 CB VAL A 74 54.586 -3.330 7.204 1.00 10.00 C ATOM 1113 CG1 VAL A 74 55.340 -3.918 6.023 1.00 10.00 C ATOM 1114 CG2 VAL A 74 54.021 -4.516 8.000 1.00 10.00 C ATOM 0 HA VAL A 74 56.296 -3.061 8.472 1.00 10.00 H new ATOM 0 HB VAL A 74 53.780 -2.679 6.864 1.00 10.00 H new ATOM 0 HG11 VAL A 74 54.666 -4.540 5.434 1.00 10.00 H new ATOM 0 HG12 VAL A 74 55.726 -3.111 5.400 1.00 10.00 H new ATOM 0 HG13 VAL A 74 56.169 -4.525 6.386 1.00 10.00 H new ATOM 0 HG21 VAL A 74 53.384 -5.119 7.352 1.00 10.00 H new ATOM 0 HG22 VAL A 74 54.842 -5.128 8.373 1.00 10.00 H new ATOM 0 HG23 VAL A 74 53.435 -4.144 8.840 1.00 10.00 H new ATOM 1124 N LYS A 75 55.556 -0.157 7.148 1.00 10.00 N ATOM 1125 CA LYS A 75 56.120 1.092 6.593 1.00 10.00 C ATOM 1126 C LYS A 75 57.488 1.499 7.182 1.00 10.00 C ATOM 1127 O LYS A 75 58.234 2.235 6.535 1.00 10.00 O ATOM 1128 CB LYS A 75 55.057 2.196 6.780 1.00 10.00 C ATOM 1129 CG LYS A 75 55.367 3.569 6.159 1.00 10.00 C ATOM 1130 CD LYS A 75 55.598 3.519 4.640 1.00 10.00 C ATOM 1131 CE LYS A 75 55.681 4.919 4.014 1.00 10.00 C ATOM 1132 NZ LYS A 75 56.874 5.682 4.473 1.00 10.00 N ATOM 0 H LYS A 75 54.596 -0.035 7.469 1.00 10.00 H new ATOM 0 HA LYS A 75 56.341 0.931 5.538 1.00 10.00 H new ATOM 0 HB2 LYS A 75 54.117 1.837 6.360 1.00 10.00 H new ATOM 0 HB3 LYS A 75 54.896 2.335 7.849 1.00 10.00 H new ATOM 0 HG2 LYS A 75 54.542 4.249 6.370 1.00 10.00 H new ATOM 0 HG3 LYS A 75 56.253 3.984 6.639 1.00 10.00 H new ATOM 0 HD2 LYS A 75 56.520 2.976 4.433 1.00 10.00 H new ATOM 0 HD3 LYS A 75 54.788 2.961 4.170 1.00 10.00 H new ATOM 0 HE2 LYS A 75 55.709 4.826 2.928 1.00 10.00 H new ATOM 0 HE3 LYS A 75 54.779 5.478 4.263 1.00 10.00 H new ATOM 0 HZ1 LYS A 75 56.882 6.619 4.021 1.00 10.00 H new ATOM 0 HZ2 LYS A 75 56.837 5.796 5.506 1.00 10.00 H new ATOM 0 HZ3 LYS A 75 57.738 5.165 4.213 1.00 10.00 H new ATOM 1146 N SER A 76 57.843 0.988 8.365 1.00 10.00 N ATOM 1147 CA SER A 76 59.147 1.167 9.027 1.00 10.00 C ATOM 1148 C SER A 76 59.903 -0.159 9.192 1.00 10.00 C ATOM 1149 O SER A 76 61.110 -0.202 8.957 1.00 10.00 O ATOM 1150 CB SER A 76 58.913 1.840 10.387 1.00 10.00 C ATOM 1151 OG SER A 76 60.137 2.164 11.029 1.00 10.00 O ATOM 0 H SER A 76 57.204 0.413 8.914 1.00 10.00 H new ATOM 0 HA SER A 76 59.776 1.798 8.399 1.00 10.00 H new ATOM 0 HB2 SER A 76 58.324 2.746 10.248 1.00 10.00 H new ATOM 0 HB3 SER A 76 58.331 1.176 11.026 1.00 10.00 H new ATOM 0 HG SER A 76 59.951 2.592 11.891 1.00 10.00 H new ATOM 1157 N MET A 77 59.218 -1.273 9.485 1.00 10.00 N ATOM 1158 CA MET A 77 59.830 -2.613 9.580 1.00 10.00 C ATOM 1159 C MET A 77 60.506 -3.069 8.272 1.00 10.00 C ATOM 1160 O MET A 77 61.474 -3.831 8.313 1.00 10.00 O ATOM 1161 CB MET A 77 58.773 -3.627 10.044 1.00 10.00 C ATOM 1162 CG MET A 77 59.388 -4.938 10.545 1.00 10.00 C ATOM 1163 SD MET A 77 58.158 -6.114 11.175 1.00 10.00 S ATOM 1164 CE MET A 77 59.261 -7.473 11.651 1.00 10.00 C ATOM 0 H MET A 77 58.214 -1.273 9.665 1.00 10.00 H new ATOM 0 HA MET A 77 60.631 -2.555 10.317 1.00 10.00 H new ATOM 0 HB2 MET A 77 58.176 -3.183 10.841 1.00 10.00 H new ATOM 0 HB3 MET A 77 58.095 -3.841 9.218 1.00 10.00 H new ATOM 0 HG2 MET A 77 59.943 -5.405 9.731 1.00 10.00 H new ATOM 0 HG3 MET A 77 60.106 -4.716 11.335 1.00 10.00 H new ATOM 0 HE1 MET A 77 58.672 -8.292 12.063 1.00 10.00 H new ATOM 0 HE2 MET A 77 59.806 -7.823 10.774 1.00 10.00 H new ATOM 0 HE3 MET A 77 59.969 -7.121 12.402 1.00 10.00 H new ATOM 1174 N LYS A 78 60.073 -2.553 7.110 1.00 10.00 N ATOM 1175 CA LYS A 78 60.758 -2.734 5.815 1.00 10.00 C ATOM 1176 C LYS A 78 62.237 -2.315 5.820 1.00 10.00 C ATOM 1177 O LYS A 78 63.035 -2.886 5.079 1.00 10.00 O ATOM 1178 CB LYS A 78 59.967 -2.038 4.693 1.00 10.00 C ATOM 1179 CG LYS A 78 59.943 -0.501 4.799 1.00 10.00 C ATOM 1180 CD LYS A 78 59.040 0.156 3.744 1.00 10.00 C ATOM 1181 CE LYS A 78 59.553 -0.083 2.315 1.00 10.00 C ATOM 1182 NZ LYS A 78 58.717 0.615 1.302 1.00 10.00 N ATOM 0 H LYS A 78 59.225 -1.990 7.040 1.00 10.00 H new ATOM 0 HA LYS A 78 60.778 -3.807 5.623 1.00 10.00 H new ATOM 0 HB2 LYS A 78 60.398 -2.318 3.732 1.00 10.00 H new ATOM 0 HB3 LYS A 78 58.942 -2.408 4.703 1.00 10.00 H new ATOM 0 HG2 LYS A 78 59.599 -0.216 5.793 1.00 10.00 H new ATOM 0 HG3 LYS A 78 60.958 -0.118 4.691 1.00 10.00 H new ATOM 0 HD2 LYS A 78 58.028 -0.239 3.836 1.00 10.00 H new ATOM 0 HD3 LYS A 78 58.982 1.228 3.934 1.00 10.00 H new ATOM 0 HE2 LYS A 78 60.583 0.263 2.236 1.00 10.00 H new ATOM 0 HE3 LYS A 78 59.560 -1.153 2.106 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 59.096 0.429 0.351 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 57.739 0.266 1.359 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 58.731 1.639 1.486 1.00 10.00 H new ATOM 1196 N ASP A 79 62.626 -1.371 6.680 1.00 10.00 N ATOM 1197 CA ASP A 79 64.022 -0.960 6.879 1.00 10.00 C ATOM 1198 C ASP A 79 64.887 -2.082 7.493 1.00 10.00 C ATOM 1199 O ASP A 79 66.070 -2.203 7.168 1.00 10.00 O ATOM 1200 CB ASP A 79 64.046 0.290 7.772 1.00 10.00 C ATOM 1201 CG ASP A 79 65.442 0.933 7.818 1.00 10.00 C ATOM 1202 OD1 ASP A 79 65.875 1.515 6.794 1.00 10.00 O ATOM 1203 OD2 ASP A 79 66.101 0.883 8.885 1.00 10.00 O ATOM 0 H ASP A 79 61.969 -0.860 7.270 1.00 10.00 H new ATOM 0 HA ASP A 79 64.455 -0.737 5.904 1.00 10.00 H new ATOM 0 HB2 ASP A 79 63.323 1.016 7.400 1.00 10.00 H new ATOM 0 HB3 ASP A 79 63.736 0.021 8.782 1.00 10.00 H new ATOM 1208 N ILE A 80 64.289 -2.938 8.331 1.00 10.00 N ATOM 1209 CA ILE A 80 64.919 -4.148 8.885 1.00 10.00 C ATOM 1210 C ILE A 80 64.919 -5.280 7.848 1.00 10.00 C ATOM 1211 O ILE A 80 65.935 -5.947 7.647 1.00 10.00 O ATOM 1212 CB ILE A 80 64.197 -4.593 10.183 1.00 10.00 C ATOM 1213 CG1 ILE A 80 64.035 -3.456 11.222 1.00 10.00 C ATOM 1214 CG2 ILE A 80 64.909 -5.797 10.825 1.00 10.00 C ATOM 1215 CD1 ILE A 80 65.339 -2.775 11.666 1.00 10.00 C ATOM 0 H ILE A 80 63.330 -2.807 8.652 1.00 10.00 H new ATOM 0 HA ILE A 80 65.954 -3.913 9.134 1.00 10.00 H new ATOM 0 HB ILE A 80 63.192 -4.884 9.877 1.00 10.00 H new ATOM 0 HG12 ILE A 80 63.373 -2.697 10.804 1.00 10.00 H new ATOM 0 HG13 ILE A 80 63.539 -3.861 12.104 1.00 10.00 H new ATOM 0 HG21 ILE A 80 64.382 -6.089 11.734 1.00 10.00 H new ATOM 0 HG22 ILE A 80 64.915 -6.632 10.125 1.00 10.00 H new ATOM 0 HG23 ILE A 80 65.935 -5.524 11.072 1.00 10.00 H new ATOM 0 HD11 ILE A 80 65.113 -1.995 12.393 1.00 10.00 H new ATOM 0 HD12 ILE A 80 65.999 -3.514 12.120 1.00 10.00 H new ATOM 0 HD13 ILE A 80 65.831 -2.332 10.800 1.00 10.00 H new ATOM 1227 N ASP A 81 63.798 -5.464 7.145 1.00 10.00 N ATOM 1228 CA ASP A 81 63.643 -6.474 6.085 1.00 10.00 C ATOM 1229 C ASP A 81 64.678 -6.313 4.953 1.00 10.00 C ATOM 1230 O ASP A 81 65.227 -7.300 4.464 1.00 10.00 O ATOM 1231 CB ASP A 81 62.210 -6.412 5.540 1.00 10.00 C ATOM 1232 CG ASP A 81 61.891 -7.573 4.585 1.00 10.00 C ATOM 1233 OD1 ASP A 81 61.908 -8.745 5.030 1.00 10.00 O ATOM 1234 OD2 ASP A 81 61.576 -7.309 3.401 1.00 10.00 O ATOM 0 H ASP A 81 62.956 -4.908 7.296 1.00 10.00 H new ATOM 0 HA ASP A 81 63.829 -7.455 6.521 1.00 10.00 H new ATOM 0 HB2 ASP A 81 61.507 -6.428 6.373 1.00 10.00 H new ATOM 0 HB3 ASP A 81 62.064 -5.466 5.018 1.00 10.00 H new ATOM 1239 N SER A 82 65.024 -5.067 4.614 1.00 10.00 N ATOM 1240 CA SER A 82 66.075 -4.694 3.651 1.00 10.00 C ATOM 1241 C SER A 82 67.449 -5.344 3.920 1.00 10.00 C ATOM 1242 O SER A 82 68.244 -5.529 2.993 1.00 10.00 O ATOM 1243 CB SER A 82 66.206 -3.164 3.639 1.00 10.00 C ATOM 1244 OG SER A 82 66.981 -2.715 2.538 1.00 10.00 O ATOM 0 H SER A 82 64.562 -4.253 5.019 1.00 10.00 H new ATOM 0 HA SER A 82 65.764 -5.076 2.679 1.00 10.00 H new ATOM 0 HB2 SER A 82 65.214 -2.714 3.595 1.00 10.00 H new ATOM 0 HB3 SER A 82 66.666 -2.830 4.569 1.00 10.00 H new ATOM 0 HG SER A 82 67.044 -1.737 2.559 1.00 10.00 H new ATOM 1250 N SER A 83 67.724 -5.754 5.165 1.00 10.00 N ATOM 1251 CA SER A 83 68.981 -6.400 5.582 1.00 10.00 C ATOM 1252 C SER A 83 68.924 -7.940 5.610 1.00 10.00 C ATOM 1253 O SER A 83 69.929 -8.570 5.949 1.00 10.00 O ATOM 1254 CB SER A 83 69.395 -5.877 6.965 1.00 10.00 C ATOM 1255 OG SER A 83 69.591 -4.468 6.935 1.00 10.00 O ATOM 0 H SER A 83 67.062 -5.644 5.933 1.00 10.00 H new ATOM 0 HA SER A 83 69.720 -6.138 4.825 1.00 10.00 H new ATOM 0 HB2 SER A 83 68.627 -6.126 7.698 1.00 10.00 H new ATOM 0 HB3 SER A 83 70.313 -6.370 7.285 1.00 10.00 H new ATOM 0 HG SER A 83 69.852 -4.155 7.826 1.00 10.00 H new