USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 577 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 76 THR OG1 : rot -51:sc= 0.396 USER MOD Set 1.2: A 92 TYR OH : rot 180:sc= 0.992 USER MOD Single : A 29 ASN : amide:sc= -0.0512 K(o=-0.051,f=-1.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 156:sc= 0 (180deg=-0.181) USER MOD Single : A 37 THR OG1 : rot 65:sc= 0.417 USER MOD Single : A 41 LYS NZ :NH3+ 156:sc= 1.14 (180deg=0.634) USER MOD Single : A 44 SER OG : rot 96:sc= 0.0767 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 49 ASN : amide:sc= -0.0144 K(o=-0.014,f=-1.2!) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 61 SER OG : rot -59:sc= 0.0742 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.195 K(o=-0.2,f=-2.1!) USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0436) USER MOD Single : A 81 ASN : amide:sc= -0.0595 K(o=-0.059,f=-2!) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 85 ASN : amide:sc= -0.0051 X(o=-0.0051,f=-0.21) USER MOD Single : A 86 HIS : no HD1:sc= -0.0505 X(o=-0.05,f=-0.44) USER MOD Single : A 89 SER OG : rot -95:sc= 0.0598 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 12:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 436 N GLU A 28 -5.958 9.185 7.016 1.00 60.43 N ATOM 437 CA GLU A 28 -5.826 9.371 5.561 1.00 54.22 C ATOM 438 C GLU A 28 -4.566 10.152 5.222 1.00 63.12 C ATOM 439 O GLU A 28 -3.855 9.769 4.304 1.00 72.30 O ATOM 440 CB GLU A 28 -7.057 10.078 4.947 1.00 41.22 C ATOM 441 CG GLU A 28 -8.256 9.161 4.691 1.00 34.35 C ATOM 442 CD GLU A 28 -9.457 9.922 4.136 1.00 64.21 C ATOM 443 OE1 GLU A 28 -10.382 10.254 4.909 1.00 63.41 O ATOM 444 OE2 GLU A 28 -9.452 10.245 2.933 1.00 41.33 O ATOM 0 HA GLU A 28 -5.759 8.374 5.126 1.00 54.22 H new ATOM 0 HB2 GLU A 28 -7.367 10.883 5.613 1.00 41.22 H new ATOM 0 HB3 GLU A 28 -6.762 10.540 4.005 1.00 41.22 H new ATOM 0 HG2 GLU A 28 -7.969 8.378 3.989 1.00 34.35 H new ATOM 0 HG3 GLU A 28 -8.539 8.668 5.621 1.00 34.35 H new ATOM 451 N ASN A 29 -4.285 11.244 5.977 1.00 50.32 N ATOM 452 CA ASN A 29 -3.088 12.065 5.724 1.00 61.23 C ATOM 453 C ASN A 29 -1.813 11.220 5.851 1.00 73.43 C ATOM 454 O ASN A 29 -0.975 11.239 4.956 1.00 44.02 O ATOM 455 CB ASN A 29 -3.025 13.331 6.637 1.00 44.53 C ATOM 456 CG ASN A 29 -3.998 14.430 6.204 1.00 33.11 C ATOM 457 OD1 ASN A 29 -4.483 14.439 5.074 1.00 13.53 O ATOM 458 ND2 ASN A 29 -4.234 15.412 7.058 1.00 70.22 N ATOM 0 H ASN A 29 -4.864 11.567 6.752 1.00 50.32 H new ATOM 0 HA ASN A 29 -3.160 12.428 4.699 1.00 61.23 H new ATOM 0 HB2 ASN A 29 -3.246 13.042 7.665 1.00 44.53 H new ATOM 0 HB3 ASN A 29 -2.010 13.728 6.628 1.00 44.53 H new ATOM 0 HD21 ASN A 29 -4.828 16.195 6.784 1.00 70.22 H new ATOM 0 HD22 ASN A 29 -3.823 15.386 7.991 1.00 70.22 H new ATOM 465 N GLU A 30 -1.732 10.402 6.917 1.00 23.21 N ATOM 466 CA GLU A 30 -0.535 9.597 7.208 1.00 63.21 C ATOM 467 C GLU A 30 -0.354 8.451 6.189 1.00 23.11 C ATOM 468 O GLU A 30 0.737 8.306 5.621 1.00 70.34 O ATOM 469 CB GLU A 30 -0.575 9.073 8.667 1.00 61.34 C ATOM 470 CG GLU A 30 0.690 8.293 9.090 1.00 43.11 C ATOM 471 CD GLU A 30 0.869 8.208 10.611 1.00 24.20 C ATOM 472 OE1 GLU A 30 1.713 8.941 11.173 1.00 45.22 O ATOM 473 OE2 GLU A 30 0.162 7.420 11.256 1.00 51.54 O ATOM 0 H GLU A 30 -2.486 10.282 7.593 1.00 23.21 H new ATOM 0 HA GLU A 30 0.338 10.242 7.107 1.00 63.21 H new ATOM 0 HB2 GLU A 30 -0.711 9.918 9.342 1.00 61.34 H new ATOM 0 HB3 GLU A 30 -1.445 8.427 8.786 1.00 61.34 H new ATOM 0 HG2 GLU A 30 0.641 7.284 8.680 1.00 43.11 H new ATOM 0 HG3 GLU A 30 1.567 8.772 8.654 1.00 43.11 H new ATOM 480 N LEU A 31 -1.438 7.686 5.928 1.00 23.31 N ATOM 481 CA LEU A 31 -1.394 6.515 4.977 1.00 64.24 C ATOM 482 C LEU A 31 -1.059 6.991 3.557 1.00 74.23 C ATOM 483 O LEU A 31 -0.095 6.526 2.942 1.00 73.14 O ATOM 484 CB LEU A 31 -2.745 5.674 4.925 1.00 44.24 C ATOM 485 CG LEU A 31 -2.861 4.537 3.782 1.00 64.31 C ATOM 486 CD1 LEU A 31 -2.321 3.130 4.194 1.00 33.22 C ATOM 487 CD2 LEU A 31 -4.306 4.393 3.193 1.00 54.23 C ATOM 0 H LEU A 31 -2.353 7.843 6.350 1.00 23.31 H new ATOM 0 HA LEU A 31 -0.616 5.857 5.364 1.00 64.24 H new ATOM 0 HB2 LEU A 31 -2.883 5.195 5.894 1.00 44.24 H new ATOM 0 HB3 LEU A 31 -3.573 6.371 4.794 1.00 44.24 H new ATOM 0 HG LEU A 31 -2.200 4.916 3.003 1.00 64.31 H new ATOM 0 HD11 LEU A 31 -2.442 2.436 3.362 1.00 33.22 H new ATOM 0 HD12 LEU A 31 -1.265 3.207 4.452 1.00 33.22 H new ATOM 0 HD13 LEU A 31 -2.879 2.764 5.056 1.00 33.22 H new ATOM 0 HD21 LEU A 31 -4.312 3.613 2.432 1.00 54.23 H new ATOM 0 HD22 LEU A 31 -4.999 4.127 3.991 1.00 54.23 H new ATOM 0 HD23 LEU A 31 -4.613 5.339 2.746 1.00 54.23 H new ATOM 499 N ARG A 32 -1.848 7.959 3.079 1.00 55.22 N ATOM 500 CA ARG A 32 -1.840 8.406 1.678 1.00 62.34 C ATOM 501 C ARG A 32 -0.561 9.210 1.339 1.00 54.32 C ATOM 502 O ARG A 32 -0.068 9.139 0.201 1.00 51.51 O ATOM 503 CB ARG A 32 -3.144 9.200 1.424 1.00 72.31 C ATOM 504 CG ARG A 32 -3.376 9.729 -0.007 1.00 35.43 C ATOM 505 CD ARG A 32 -4.737 10.446 -0.123 1.00 54.31 C ATOM 506 NE ARG A 32 -4.888 11.467 0.934 1.00 43.31 N ATOM 507 CZ ARG A 32 -5.980 11.660 1.689 1.00 53.42 C ATOM 508 NH1 ARG A 32 -7.068 10.906 1.527 1.00 71.33 N ATOM 509 NH2 ARG A 32 -5.977 12.622 2.613 1.00 21.43 N ATOM 0 H ARG A 32 -2.519 8.462 3.660 1.00 55.22 H new ATOM 0 HA ARG A 32 -1.814 7.548 1.007 1.00 62.34 H new ATOM 0 HB2 ARG A 32 -3.986 8.561 1.690 1.00 72.31 H new ATOM 0 HB3 ARG A 32 -3.161 10.050 2.106 1.00 72.31 H new ATOM 0 HG2 ARG A 32 -2.575 10.417 -0.277 1.00 35.43 H new ATOM 0 HG3 ARG A 32 -3.337 8.901 -0.715 1.00 35.43 H new ATOM 0 HD2 ARG A 32 -4.822 10.916 -1.103 1.00 54.31 H new ATOM 0 HD3 ARG A 32 -5.544 9.717 -0.048 1.00 54.31 H new ATOM 0 HE ARG A 32 -4.091 12.080 1.105 1.00 43.31 H new ATOM 0 HH11 ARG A 32 -7.078 10.170 0.821 1.00 71.33 H new ATOM 0 HH12 ARG A 32 -7.890 11.065 2.109 1.00 71.33 H new ATOM 0 HH21 ARG A 32 -5.149 13.204 2.741 1.00 21.43 H new ATOM 0 HH22 ARG A 32 -6.803 12.776 3.192 1.00 21.43 H new ATOM 523 N SER A 33 0.000 9.935 2.343 1.00 73.41 N ATOM 524 CA SER A 33 1.255 10.704 2.166 1.00 13.44 C ATOM 525 C SER A 33 2.473 9.774 2.037 1.00 5.55 C ATOM 526 O SER A 33 3.337 10.000 1.193 1.00 31.35 O ATOM 527 CB SER A 33 1.468 11.683 3.337 1.00 1.54 C ATOM 528 OG SER A 33 2.557 12.566 3.103 1.00 53.02 O ATOM 0 H SER A 33 -0.398 10.001 3.280 1.00 73.41 H new ATOM 0 HA SER A 33 1.158 11.272 1.241 1.00 13.44 H new ATOM 0 HB2 SER A 33 0.559 12.263 3.494 1.00 1.54 H new ATOM 0 HB3 SER A 33 1.649 11.119 4.252 1.00 1.54 H new ATOM 0 HG SER A 33 2.658 13.171 3.867 1.00 53.02 H new ATOM 534 N MET A 34 2.544 8.725 2.877 1.00 43.22 N ATOM 535 CA MET A 34 3.677 7.764 2.839 1.00 40.43 C ATOM 536 C MET A 34 3.487 6.723 1.725 1.00 65.22 C ATOM 537 O MET A 34 4.451 6.074 1.312 1.00 61.42 O ATOM 538 CB MET A 34 4.015 7.122 4.220 1.00 31.52 C ATOM 539 CG MET A 34 3.001 6.153 4.848 1.00 2.11 C ATOM 540 SD MET A 34 3.684 5.389 6.335 1.00 63.32 S ATOM 541 CE MET A 34 2.236 4.645 7.059 1.00 63.44 C ATOM 0 H MET A 34 1.841 8.517 3.586 1.00 43.22 H new ATOM 0 HA MET A 34 4.563 8.350 2.593 1.00 40.43 H new ATOM 0 HB2 MET A 34 4.960 6.590 4.115 1.00 31.52 H new ATOM 0 HB3 MET A 34 4.182 7.932 4.930 1.00 31.52 H new ATOM 0 HG2 MET A 34 2.085 6.688 5.096 1.00 2.11 H new ATOM 0 HG3 MET A 34 2.733 5.381 4.127 1.00 2.11 H new ATOM 0 HE1 MET A 34 2.535 3.818 7.703 1.00 63.44 H new ATOM 0 HE2 MET A 34 1.701 5.389 7.649 1.00 63.44 H new ATOM 0 HE3 MET A 34 1.585 4.272 6.269 1.00 63.44 H new ATOM 551 N LEU A 35 2.233 6.580 1.239 1.00 65.05 N ATOM 552 CA LEU A 35 1.933 5.789 0.011 1.00 4.23 C ATOM 553 C LEU A 35 2.519 6.555 -1.192 1.00 13.33 C ATOM 554 O LEU A 35 3.119 5.954 -2.086 1.00 61.23 O ATOM 555 CB LEU A 35 0.379 5.529 -0.174 1.00 5.13 C ATOM 556 CG LEU A 35 -0.096 4.280 -1.028 1.00 74.42 C ATOM 557 CD1 LEU A 35 -1.620 4.044 -0.859 1.00 70.55 C ATOM 558 CD2 LEU A 35 0.248 4.422 -2.524 1.00 21.11 C ATOM 0 H LEU A 35 1.410 6.999 1.673 1.00 65.05 H new ATOM 0 HA LEU A 35 2.388 4.802 0.095 1.00 4.23 H new ATOM 0 HB2 LEU A 35 -0.059 5.434 0.820 1.00 5.13 H new ATOM 0 HB3 LEU A 35 -0.052 6.421 -0.628 1.00 5.13 H new ATOM 0 HG LEU A 35 0.449 3.417 -0.645 1.00 74.42 H new ATOM 0 HD11 LEU A 35 -1.923 3.182 -1.454 1.00 70.55 H new ATOM 0 HD12 LEU A 35 -1.845 3.857 0.191 1.00 70.55 H new ATOM 0 HD13 LEU A 35 -2.164 4.926 -1.195 1.00 70.55 H new ATOM 0 HD21 LEU A 35 -0.099 3.540 -3.062 1.00 21.11 H new ATOM 0 HD22 LEU A 35 -0.241 5.309 -2.927 1.00 21.11 H new ATOM 0 HD23 LEU A 35 1.327 4.517 -2.642 1.00 21.11 H new ATOM 570 N ALA A 36 2.353 7.893 -1.171 1.00 0.42 N ATOM 571 CA ALA A 36 2.960 8.787 -2.162 1.00 4.12 C ATOM 572 C ALA A 36 4.501 8.712 -2.111 1.00 53.03 C ATOM 573 O ALA A 36 5.152 8.652 -3.153 1.00 14.24 O ATOM 574 CB ALA A 36 2.477 10.219 -1.945 1.00 11.13 C ATOM 0 H ALA A 36 1.796 8.377 -0.467 1.00 0.42 H new ATOM 0 HA ALA A 36 2.648 8.461 -3.154 1.00 4.12 H new ATOM 0 HB1 ALA A 36 2.935 10.874 -2.687 1.00 11.13 H new ATOM 0 HB2 ALA A 36 1.392 10.257 -2.047 1.00 11.13 H new ATOM 0 HB3 ALA A 36 2.759 10.550 -0.946 1.00 11.13 H new ATOM 580 N THR A 37 5.057 8.685 -0.882 1.00 3.34 N ATOM 581 CA THR A 37 6.508 8.525 -0.642 1.00 74.00 C ATOM 582 C THR A 37 7.012 7.180 -1.190 1.00 3.42 C ATOM 583 O THR A 37 8.115 7.087 -1.730 1.00 65.35 O ATOM 584 CB THR A 37 6.816 8.640 0.881 1.00 52.12 C ATOM 585 OG1 THR A 37 6.234 9.859 1.368 1.00 51.14 O ATOM 586 CG2 THR A 37 8.333 8.626 1.202 1.00 24.23 C ATOM 0 H THR A 37 4.511 8.774 -0.025 1.00 3.34 H new ATOM 0 HA THR A 37 7.032 9.322 -1.170 1.00 74.00 H new ATOM 0 HB THR A 37 6.388 7.766 1.373 1.00 52.12 H new ATOM 0 HG1 THR A 37 5.258 9.806 1.298 1.00 51.14 H new ATOM 0 HG21 THR A 37 8.478 8.709 2.279 1.00 24.23 H new ATOM 0 HG22 THR A 37 8.771 7.693 0.848 1.00 24.23 H new ATOM 0 HG23 THR A 37 8.818 9.466 0.705 1.00 24.23 H new ATOM 594 N ALA A 38 6.156 6.153 -1.075 1.00 61.12 N ATOM 595 CA ALA A 38 6.448 4.803 -1.585 1.00 43.51 C ATOM 596 C ALA A 38 6.422 4.763 -3.122 1.00 32.24 C ATOM 597 O ALA A 38 7.116 3.954 -3.729 1.00 35.20 O ATOM 598 CB ALA A 38 5.476 3.790 -0.982 1.00 63.15 C ATOM 0 H ALA A 38 5.243 6.234 -0.627 1.00 61.12 H new ATOM 0 HA ALA A 38 7.458 4.533 -1.278 1.00 43.51 H new ATOM 0 HB1 ALA A 38 5.702 2.795 -1.367 1.00 63.15 H new ATOM 0 HB2 ALA A 38 5.577 3.791 0.103 1.00 63.15 H new ATOM 0 HB3 ALA A 38 4.455 4.060 -1.252 1.00 63.15 H new ATOM 604 N LEU A 39 5.638 5.664 -3.748 1.00 2.02 N ATOM 605 CA LEU A 39 5.666 5.847 -5.220 1.00 73.01 C ATOM 606 C LEU A 39 6.975 6.544 -5.646 1.00 23.15 C ATOM 607 O LEU A 39 7.461 6.348 -6.754 1.00 52.24 O ATOM 608 CB LEU A 39 4.450 6.686 -5.730 1.00 65.44 C ATOM 609 CG LEU A 39 2.990 6.194 -5.408 1.00 52.43 C ATOM 610 CD1 LEU A 39 1.959 7.247 -5.852 1.00 60.22 C ATOM 611 CD2 LEU A 39 2.669 4.809 -6.034 1.00 20.41 C ATOM 0 H LEU A 39 4.980 6.275 -3.264 1.00 2.02 H new ATOM 0 HA LEU A 39 5.607 4.855 -5.667 1.00 73.01 H new ATOM 0 HB2 LEU A 39 4.554 7.693 -5.326 1.00 65.44 H new ATOM 0 HB3 LEU A 39 4.538 6.766 -6.813 1.00 65.44 H new ATOM 0 HG LEU A 39 2.928 6.067 -4.327 1.00 52.43 H new ATOM 0 HD11 LEU A 39 0.954 6.892 -5.623 1.00 60.22 H new ATOM 0 HD12 LEU A 39 2.143 8.182 -5.323 1.00 60.22 H new ATOM 0 HD13 LEU A 39 2.048 7.414 -6.925 1.00 60.22 H new ATOM 0 HD21 LEU A 39 1.649 4.522 -5.778 1.00 20.41 H new ATOM 0 HD22 LEU A 39 2.769 4.868 -7.118 1.00 20.41 H new ATOM 0 HD23 LEU A 39 3.364 4.064 -5.646 1.00 20.41 H new ATOM 623 N GLU A 40 7.522 7.359 -4.736 1.00 22.21 N ATOM 624 CA GLU A 40 8.804 8.072 -4.929 1.00 50.21 C ATOM 625 C GLU A 40 9.992 7.151 -4.611 1.00 10.41 C ATOM 626 O GLU A 40 11.130 7.451 -4.970 1.00 50.22 O ATOM 627 CB GLU A 40 8.827 9.333 -4.029 1.00 14.31 C ATOM 628 CG GLU A 40 7.694 10.316 -4.339 1.00 21.22 C ATOM 629 CD GLU A 40 7.610 11.497 -3.367 1.00 3.14 C ATOM 630 OE1 GLU A 40 8.387 12.465 -3.505 1.00 42.43 O ATOM 631 OE2 GLU A 40 6.762 11.475 -2.466 1.00 72.15 O ATOM 0 H GLU A 40 7.087 7.548 -3.833 1.00 22.21 H new ATOM 0 HA GLU A 40 8.893 8.376 -5.972 1.00 50.21 H new ATOM 0 HB2 GLU A 40 8.759 9.028 -2.985 1.00 14.31 H new ATOM 0 HB3 GLU A 40 9.784 9.841 -4.151 1.00 14.31 H new ATOM 0 HG2 GLU A 40 7.827 10.700 -5.350 1.00 21.22 H new ATOM 0 HG3 GLU A 40 6.746 9.778 -4.324 1.00 21.22 H new ATOM 638 N LYS A 41 9.712 6.057 -3.890 1.00 3.34 N ATOM 639 CA LYS A 41 10.665 4.949 -3.691 1.00 53.24 C ATOM 640 C LYS A 41 10.597 3.962 -4.863 1.00 13.12 C ATOM 641 O LYS A 41 9.534 3.775 -5.465 1.00 21.33 O ATOM 642 CB LYS A 41 10.367 4.202 -2.361 1.00 72.30 C ATOM 643 CG LYS A 41 10.621 5.052 -1.098 1.00 21.24 C ATOM 644 CD LYS A 41 12.114 5.495 -0.983 1.00 34.21 C ATOM 645 CE LYS A 41 12.447 6.316 0.287 1.00 24.13 C ATOM 646 NZ LYS A 41 11.932 5.680 1.522 1.00 33.04 N ATOM 0 H LYS A 41 8.816 5.912 -3.425 1.00 3.34 H new ATOM 0 HA LYS A 41 11.668 5.373 -3.642 1.00 53.24 H new ATOM 0 HB2 LYS A 41 9.327 3.875 -2.364 1.00 72.30 H new ATOM 0 HB3 LYS A 41 10.984 3.304 -2.313 1.00 72.30 H new ATOM 0 HG2 LYS A 41 9.981 5.934 -1.120 1.00 21.24 H new ATOM 0 HG3 LYS A 41 10.343 4.479 -0.213 1.00 21.24 H new ATOM 0 HD2 LYS A 41 12.745 4.607 -1.001 1.00 34.21 H new ATOM 0 HD3 LYS A 41 12.372 6.088 -1.861 1.00 34.21 H new ATOM 0 HE2 LYS A 41 13.528 6.435 0.366 1.00 24.13 H new ATOM 0 HE3 LYS A 41 12.022 7.315 0.192 1.00 24.13 H new ATOM 0 HZ1 LYS A 41 12.491 6.003 2.338 1.00 33.04 H new ATOM 0 HZ2 LYS A 41 10.935 5.944 1.659 1.00 33.04 H new ATOM 0 HZ3 LYS A 41 12.008 4.646 1.438 1.00 33.04 H new ATOM 660 N ASP A 42 11.750 3.345 -5.174 1.00 44.41 N ATOM 661 CA ASP A 42 11.856 2.242 -6.146 1.00 1.35 C ATOM 662 C ASP A 42 11.129 0.998 -5.594 1.00 3.34 C ATOM 663 O ASP A 42 11.677 0.251 -4.775 1.00 24.40 O ATOM 664 CB ASP A 42 13.347 1.909 -6.455 1.00 13.03 C ATOM 665 CG ASP A 42 14.117 3.092 -7.068 1.00 31.00 C ATOM 666 OD1 ASP A 42 14.621 3.934 -6.302 1.00 4.52 O ATOM 667 OD2 ASP A 42 14.233 3.180 -8.312 1.00 51.40 O ATOM 0 H ASP A 42 12.644 3.600 -4.754 1.00 44.41 H new ATOM 0 HA ASP A 42 11.385 2.551 -7.079 1.00 1.35 H new ATOM 0 HB2 ASP A 42 13.842 1.599 -5.534 1.00 13.03 H new ATOM 0 HB3 ASP A 42 13.389 1.062 -7.140 1.00 13.03 H new ATOM 672 N ILE A 43 9.865 0.839 -5.996 1.00 24.44 N ATOM 673 CA ILE A 43 9.042 -0.327 -5.645 1.00 61.50 C ATOM 674 C ILE A 43 9.124 -1.372 -6.764 1.00 31.23 C ATOM 675 O ILE A 43 9.258 -1.027 -7.941 1.00 44.24 O ATOM 676 CB ILE A 43 7.544 0.077 -5.346 1.00 23.22 C ATOM 677 CG1 ILE A 43 6.890 0.870 -6.521 1.00 3.13 C ATOM 678 CG2 ILE A 43 7.464 0.880 -4.031 1.00 52.15 C ATOM 679 CD1 ILE A 43 5.524 1.467 -6.200 1.00 54.13 C ATOM 0 H ILE A 43 9.378 1.520 -6.579 1.00 24.44 H new ATOM 0 HA ILE A 43 9.437 -0.760 -4.726 1.00 61.50 H new ATOM 0 HB ILE A 43 6.974 -0.846 -5.239 1.00 23.22 H new ATOM 0 HG12 ILE A 43 7.563 1.674 -6.818 1.00 3.13 H new ATOM 0 HG13 ILE A 43 6.789 0.205 -7.379 1.00 3.13 H new ATOM 0 HG21 ILE A 43 6.427 1.154 -3.834 1.00 52.15 H new ATOM 0 HG22 ILE A 43 7.841 0.271 -3.209 1.00 52.15 H new ATOM 0 HG23 ILE A 43 8.067 1.784 -4.119 1.00 52.15 H new ATOM 0 HD11 ILE A 43 5.145 1.999 -7.073 1.00 54.13 H new ATOM 0 HD12 ILE A 43 4.831 0.669 -5.934 1.00 54.13 H new ATOM 0 HD13 ILE A 43 5.617 2.160 -5.364 1.00 54.13 H new ATOM 691 N SER A 44 9.055 -2.645 -6.360 1.00 24.31 N ATOM 692 CA SER A 44 9.110 -3.825 -7.260 1.00 42.34 C ATOM 693 C SER A 44 7.853 -3.832 -8.196 1.00 73.50 C ATOM 694 O SER A 44 6.867 -3.186 -7.851 1.00 31.30 O ATOM 695 CB SER A 44 9.214 -5.083 -6.345 1.00 64.31 C ATOM 696 OG SER A 44 10.117 -4.850 -5.269 1.00 71.42 O ATOM 0 H SER A 44 8.957 -2.900 -5.377 1.00 24.31 H new ATOM 0 HA SER A 44 9.973 -3.806 -7.926 1.00 42.34 H new ATOM 0 HB2 SER A 44 8.229 -5.335 -5.952 1.00 64.31 H new ATOM 0 HB3 SER A 44 9.552 -5.938 -6.931 1.00 64.31 H new ATOM 0 HG SER A 44 9.615 -4.569 -4.476 1.00 71.42 H new ATOM 702 N GLN A 45 7.901 -4.502 -9.386 1.00 44.51 N ATOM 703 CA GLN A 45 6.825 -4.401 -10.420 1.00 21.22 C ATOM 704 C GLN A 45 5.395 -4.701 -9.882 1.00 61.01 C ATOM 705 O GLN A 45 4.458 -3.938 -10.151 1.00 24.34 O ATOM 706 CB GLN A 45 7.163 -5.294 -11.658 1.00 12.23 C ATOM 707 CG GLN A 45 6.073 -5.301 -12.759 1.00 2.42 C ATOM 708 CD GLN A 45 6.422 -6.176 -13.959 1.00 13.31 C ATOM 709 OE1 GLN A 45 7.588 -6.348 -14.315 1.00 23.05 O ATOM 710 NE2 GLN A 45 5.413 -6.737 -14.600 1.00 4.32 N ATOM 0 H GLN A 45 8.671 -5.116 -9.652 1.00 44.51 H new ATOM 0 HA GLN A 45 6.803 -3.356 -10.728 1.00 21.22 H new ATOM 0 HB2 GLN A 45 8.101 -4.949 -12.094 1.00 12.23 H new ATOM 0 HB3 GLN A 45 7.326 -6.317 -11.319 1.00 12.23 H new ATOM 0 HG2 GLN A 45 5.135 -5.649 -12.327 1.00 2.42 H new ATOM 0 HG3 GLN A 45 5.907 -4.279 -13.101 1.00 2.42 H new ATOM 0 HE21 GLN A 45 4.456 -6.578 -14.284 1.00 4.32 H new ATOM 0 HE22 GLN A 45 5.590 -7.329 -15.411 1.00 4.32 H new ATOM 719 N GLU A 46 5.239 -5.769 -9.081 1.00 30.32 N ATOM 720 CA GLU A 46 3.918 -6.188 -8.557 1.00 34.10 C ATOM 721 C GLU A 46 3.512 -5.330 -7.339 1.00 13.24 C ATOM 722 O GLU A 46 2.345 -5.290 -6.941 1.00 11.31 O ATOM 723 CB GLU A 46 3.895 -7.701 -8.223 1.00 21.20 C ATOM 724 CG GLU A 46 4.014 -8.649 -9.443 1.00 62.11 C ATOM 725 CD GLU A 46 5.383 -8.618 -10.152 1.00 31.12 C ATOM 726 OE1 GLU A 46 6.402 -8.875 -9.487 1.00 41.10 O ATOM 727 OE2 GLU A 46 5.448 -8.366 -11.371 1.00 60.41 O ATOM 0 H GLU A 46 6.011 -6.363 -8.779 1.00 30.32 H new ATOM 0 HA GLU A 46 3.179 -6.022 -9.341 1.00 34.10 H new ATOM 0 HB2 GLU A 46 4.712 -7.917 -7.535 1.00 21.20 H new ATOM 0 HB3 GLU A 46 2.967 -7.926 -7.697 1.00 21.20 H new ATOM 0 HG2 GLU A 46 3.813 -9.669 -9.114 1.00 62.11 H new ATOM 0 HG3 GLU A 46 3.240 -8.389 -10.165 1.00 62.11 H new ATOM 734 N GLU A 47 4.501 -4.632 -6.781 1.00 71.14 N ATOM 735 CA GLU A 47 4.333 -3.732 -5.626 1.00 74.15 C ATOM 736 C GLU A 47 3.767 -2.402 -6.166 1.00 4.21 C ATOM 737 O GLU A 47 2.913 -1.766 -5.532 1.00 22.32 O ATOM 738 CB GLU A 47 5.727 -3.532 -4.938 1.00 44.33 C ATOM 739 CG GLU A 47 5.767 -2.976 -3.488 1.00 2.42 C ATOM 740 CD GLU A 47 7.205 -2.948 -2.907 1.00 30.23 C ATOM 741 OE1 GLU A 47 7.956 -3.950 -3.074 1.00 72.21 O ATOM 742 OE2 GLU A 47 7.587 -1.949 -2.280 1.00 0.03 O ATOM 0 H GLU A 47 5.462 -4.673 -7.121 1.00 71.14 H new ATOM 0 HA GLU A 47 3.650 -4.139 -4.880 1.00 74.15 H new ATOM 0 HB2 GLU A 47 6.237 -4.495 -4.937 1.00 44.33 H new ATOM 0 HB3 GLU A 47 6.313 -2.861 -5.566 1.00 44.33 H new ATOM 0 HG2 GLU A 47 5.353 -1.968 -3.477 1.00 2.42 H new ATOM 0 HG3 GLU A 47 5.131 -3.589 -2.849 1.00 2.42 H new ATOM 749 N ARG A 48 4.242 -2.038 -7.395 1.00 22.32 N ATOM 750 CA ARG A 48 3.720 -0.917 -8.182 1.00 53.34 C ATOM 751 C ARG A 48 2.270 -1.204 -8.573 1.00 60.23 C ATOM 752 O ARG A 48 1.424 -0.329 -8.441 1.00 32.24 O ATOM 753 CB ARG A 48 4.606 -0.653 -9.437 1.00 71.01 C ATOM 754 CG ARG A 48 4.187 0.580 -10.274 1.00 13.32 C ATOM 755 CD ARG A 48 5.114 0.838 -11.481 1.00 4.22 C ATOM 756 NE ARG A 48 5.176 -0.319 -12.386 1.00 44.21 N ATOM 757 CZ ARG A 48 6.282 -0.766 -13.020 1.00 35.30 C ATOM 758 NH1 ARG A 48 7.472 -0.164 -12.871 1.00 62.10 N ATOM 759 NH2 ARG A 48 6.193 -1.840 -13.796 1.00 2.04 N ATOM 0 H ARG A 48 5.006 -2.531 -7.857 1.00 22.32 H new ATOM 0 HA ARG A 48 3.748 -0.011 -7.576 1.00 53.34 H new ATOM 0 HB2 ARG A 48 5.639 -0.523 -9.115 1.00 71.01 H new ATOM 0 HB3 ARG A 48 4.580 -1.536 -10.076 1.00 71.01 H new ATOM 0 HG2 ARG A 48 3.167 0.439 -10.631 1.00 13.32 H new ATOM 0 HG3 ARG A 48 4.182 1.462 -9.633 1.00 13.32 H new ATOM 0 HD2 ARG A 48 4.759 1.710 -12.031 1.00 4.22 H new ATOM 0 HD3 ARG A 48 6.117 1.073 -11.124 1.00 4.22 H new ATOM 0 HE ARG A 48 4.308 -0.829 -12.550 1.00 44.21 H new ATOM 0 HH11 ARG A 48 7.558 0.653 -12.267 1.00 62.10 H new ATOM 0 HH12 ARG A 48 8.290 -0.524 -13.362 1.00 62.10 H new ATOM 0 HH21 ARG A 48 5.298 -2.316 -13.907 1.00 2.04 H new ATOM 0 HH22 ARG A 48 7.020 -2.189 -14.281 1.00 2.04 H new ATOM 773 N ASN A 49 1.996 -2.461 -9.007 1.00 73.20 N ATOM 774 CA ASN A 49 0.614 -2.932 -9.277 1.00 51.11 C ATOM 775 C ASN A 49 -0.299 -2.692 -8.058 1.00 22.01 C ATOM 776 O ASN A 49 -1.323 -2.037 -8.184 1.00 71.01 O ATOM 777 CB ASN A 49 0.575 -4.433 -9.692 1.00 15.22 C ATOM 778 CG ASN A 49 1.064 -4.701 -11.121 1.00 12.21 C ATOM 779 OD1 ASN A 49 1.039 -3.814 -11.972 1.00 22.41 O ATOM 780 ND2 ASN A 49 1.421 -5.946 -11.422 1.00 2.21 N ATOM 0 H ASN A 49 2.714 -3.166 -9.177 1.00 73.20 H new ATOM 0 HA ASN A 49 0.241 -2.348 -10.118 1.00 51.11 H new ATOM 0 HB2 ASN A 49 1.187 -5.007 -8.996 1.00 15.22 H new ATOM 0 HB3 ASN A 49 -0.447 -4.799 -9.595 1.00 15.22 H new ATOM 0 HD21 ASN A 49 1.683 -6.184 -12.379 1.00 2.21 H new ATOM 0 HD22 ASN A 49 1.433 -6.663 -10.696 1.00 2.21 H new ATOM 787 N ALA A 50 0.156 -3.148 -6.876 1.00 20.40 N ATOM 788 CA ALA A 50 -0.633 -3.123 -5.628 1.00 2.21 C ATOM 789 C ALA A 50 -1.034 -1.694 -5.204 1.00 54.20 C ATOM 790 O ALA A 50 -2.212 -1.440 -4.904 1.00 45.14 O ATOM 791 CB ALA A 50 0.152 -3.815 -4.507 1.00 42.33 C ATOM 0 H ALA A 50 1.087 -3.547 -6.758 1.00 20.40 H new ATOM 0 HA ALA A 50 -1.561 -3.663 -5.817 1.00 2.21 H new ATOM 0 HB1 ALA A 50 -0.433 -3.795 -3.587 1.00 42.33 H new ATOM 0 HB2 ALA A 50 0.352 -4.849 -4.788 1.00 42.33 H new ATOM 0 HB3 ALA A 50 1.096 -3.293 -4.348 1.00 42.33 H new ATOM 797 N LEU A 51 -0.053 -0.762 -5.204 1.00 10.11 N ATOM 798 CA LEU A 51 -0.302 0.643 -4.799 1.00 13.14 C ATOM 799 C LEU A 51 -1.151 1.391 -5.868 1.00 55.42 C ATOM 800 O LEU A 51 -1.988 2.248 -5.515 1.00 22.14 O ATOM 801 CB LEU A 51 1.044 1.394 -4.500 1.00 63.50 C ATOM 802 CG LEU A 51 2.026 0.787 -3.410 1.00 32.22 C ATOM 803 CD1 LEU A 51 3.259 1.699 -3.192 1.00 53.14 C ATOM 804 CD2 LEU A 51 1.353 0.511 -2.044 1.00 4.03 C ATOM 0 H LEU A 51 0.911 -0.954 -5.477 1.00 10.11 H new ATOM 0 HA LEU A 51 -0.879 0.629 -3.874 1.00 13.14 H new ATOM 0 HB2 LEU A 51 1.596 1.470 -5.437 1.00 63.50 H new ATOM 0 HB3 LEU A 51 0.795 2.410 -4.193 1.00 63.50 H new ATOM 0 HG LEU A 51 2.338 -0.174 -3.818 1.00 32.22 H new ATOM 0 HD11 LEU A 51 3.911 1.255 -2.440 1.00 53.14 H new ATOM 0 HD12 LEU A 51 3.805 1.803 -4.130 1.00 53.14 H new ATOM 0 HD13 LEU A 51 2.930 2.681 -2.853 1.00 53.14 H new ATOM 0 HD21 LEU A 51 2.088 0.098 -1.353 1.00 4.03 H new ATOM 0 HD22 LEU A 51 0.957 1.442 -1.639 1.00 4.03 H new ATOM 0 HD23 LEU A 51 0.539 -0.202 -2.177 1.00 4.03 H new ATOM 816 N ASN A 52 -0.967 1.028 -7.164 1.00 64.21 N ATOM 817 CA ASN A 52 -1.797 1.560 -8.279 1.00 54.32 C ATOM 818 C ASN A 52 -3.270 1.127 -8.127 1.00 13.11 C ATOM 819 O ASN A 52 -4.182 1.939 -8.329 1.00 55.35 O ATOM 820 CB ASN A 52 -1.252 1.129 -9.677 1.00 11.41 C ATOM 821 CG ASN A 52 -0.011 1.916 -10.123 1.00 60.32 C ATOM 822 OD1 ASN A 52 0.848 2.270 -9.318 1.00 42.30 O ATOM 823 ND2 ASN A 52 0.076 2.232 -11.409 1.00 10.33 N ATOM 0 H ASN A 52 -0.250 0.368 -7.464 1.00 64.21 H new ATOM 0 HA ASN A 52 -1.740 2.647 -8.222 1.00 54.32 H new ATOM 0 HB2 ASN A 52 -1.008 0.067 -9.651 1.00 11.41 H new ATOM 0 HB3 ASN A 52 -2.039 1.257 -10.420 1.00 11.41 H new ATOM 0 HD21 ASN A 52 0.867 2.779 -11.747 1.00 10.33 H new ATOM 0 HD22 ASN A 52 -0.649 1.927 -12.059 1.00 10.33 H new ATOM 830 N ILE A 53 -3.473 -0.145 -7.715 1.00 13.32 N ATOM 831 CA ILE A 53 -4.808 -0.741 -7.515 1.00 4.32 C ATOM 832 C ILE A 53 -5.530 -0.016 -6.358 1.00 33.53 C ATOM 833 O ILE A 53 -6.704 0.352 -6.475 1.00 1.41 O ATOM 834 CB ILE A 53 -4.719 -2.301 -7.239 1.00 72.43 C ATOM 835 CG1 ILE A 53 -4.217 -3.076 -8.511 1.00 61.05 C ATOM 836 CG2 ILE A 53 -6.076 -2.869 -6.741 1.00 33.23 C ATOM 837 CD1 ILE A 53 -3.941 -4.559 -8.289 1.00 73.34 C ATOM 0 H ILE A 53 -2.708 -0.789 -7.511 1.00 13.32 H new ATOM 0 HA ILE A 53 -5.383 -0.613 -8.432 1.00 4.32 H new ATOM 0 HB ILE A 53 -3.987 -2.450 -6.445 1.00 72.43 H new ATOM 0 HG12 ILE A 53 -4.963 -2.974 -9.299 1.00 61.05 H new ATOM 0 HG13 ILE A 53 -3.305 -2.601 -8.872 1.00 61.05 H new ATOM 0 HG21 ILE A 53 -5.979 -3.940 -6.562 1.00 33.23 H new ATOM 0 HG22 ILE A 53 -6.361 -2.371 -5.814 1.00 33.23 H new ATOM 0 HG23 ILE A 53 -6.842 -2.696 -7.497 1.00 33.23 H new ATOM 0 HD11 ILE A 53 -3.600 -5.009 -9.221 1.00 73.34 H new ATOM 0 HD12 ILE A 53 -3.171 -4.676 -7.526 1.00 73.34 H new ATOM 0 HD13 ILE A 53 -4.855 -5.054 -7.960 1.00 73.34 H new ATOM 849 N ALA A 54 -4.783 0.210 -5.261 1.00 5.10 N ATOM 850 CA ALA A 54 -5.288 0.884 -4.055 1.00 54.43 C ATOM 851 C ALA A 54 -5.791 2.314 -4.361 1.00 70.11 C ATOM 852 O ALA A 54 -6.903 2.687 -3.965 1.00 73.02 O ATOM 853 CB ALA A 54 -4.197 0.891 -2.977 1.00 31.41 C ATOM 0 H ALA A 54 -3.806 -0.073 -5.188 1.00 5.10 H new ATOM 0 HA ALA A 54 -6.149 0.328 -3.683 1.00 54.43 H new ATOM 0 HB1 ALA A 54 -4.572 1.391 -2.084 1.00 31.41 H new ATOM 0 HB2 ALA A 54 -3.922 -0.135 -2.731 1.00 31.41 H new ATOM 0 HB3 ALA A 54 -3.321 1.422 -3.349 1.00 31.41 H new ATOM 859 N GLU A 55 -4.977 3.087 -5.116 1.00 3.33 N ATOM 860 CA GLU A 55 -5.296 4.494 -5.453 1.00 22.03 C ATOM 861 C GLU A 55 -6.497 4.587 -6.409 1.00 51.34 C ATOM 862 O GLU A 55 -7.412 5.390 -6.182 1.00 72.23 O ATOM 863 CB GLU A 55 -4.040 5.185 -6.033 1.00 71.43 C ATOM 864 CG GLU A 55 -4.125 6.723 -6.261 1.00 14.43 C ATOM 865 CD GLU A 55 -4.743 7.171 -7.601 1.00 73.04 C ATOM 866 OE1 GLU A 55 -5.316 8.279 -7.657 1.00 64.14 O ATOM 867 OE2 GLU A 55 -4.625 6.441 -8.605 1.00 14.13 O ATOM 0 H GLU A 55 -4.093 2.759 -5.504 1.00 3.33 H new ATOM 0 HA GLU A 55 -5.588 5.018 -4.543 1.00 22.03 H new ATOM 0 HB2 GLU A 55 -3.204 4.987 -5.363 1.00 71.43 H new ATOM 0 HB3 GLU A 55 -3.803 4.713 -6.987 1.00 71.43 H new ATOM 0 HG2 GLU A 55 -4.708 7.160 -5.450 1.00 14.43 H new ATOM 0 HG3 GLU A 55 -3.119 7.138 -6.190 1.00 14.43 H new ATOM 874 N LYS A 56 -6.526 3.715 -7.440 1.00 71.21 N ATOM 875 CA LYS A 56 -7.626 3.719 -8.434 1.00 4.13 C ATOM 876 C LYS A 56 -8.956 3.281 -7.784 1.00 71.42 C ATOM 877 O LYS A 56 -10.042 3.559 -8.301 1.00 75.24 O ATOM 878 CB LYS A 56 -7.306 2.846 -9.679 1.00 42.03 C ATOM 879 CG LYS A 56 -6.128 3.357 -10.545 1.00 23.11 C ATOM 880 CD LYS A 56 -6.347 4.799 -11.055 1.00 2.02 C ATOM 881 CE LYS A 56 -5.177 5.322 -11.895 1.00 33.45 C ATOM 882 NZ LYS A 56 -5.415 6.718 -12.369 1.00 5.41 N ATOM 0 H LYS A 56 -5.811 3.007 -7.607 1.00 71.21 H new ATOM 0 HA LYS A 56 -7.731 4.746 -8.785 1.00 4.13 H new ATOM 0 HB2 LYS A 56 -7.081 1.833 -9.347 1.00 42.03 H new ATOM 0 HB3 LYS A 56 -8.198 2.787 -10.303 1.00 42.03 H new ATOM 0 HG2 LYS A 56 -5.209 3.318 -9.961 1.00 23.11 H new ATOM 0 HG3 LYS A 56 -5.993 2.691 -11.397 1.00 23.11 H new ATOM 0 HD2 LYS A 56 -7.259 4.833 -11.651 1.00 2.02 H new ATOM 0 HD3 LYS A 56 -6.499 5.461 -10.202 1.00 2.02 H new ATOM 0 HE2 LYS A 56 -4.262 5.290 -11.303 1.00 33.45 H new ATOM 0 HE3 LYS A 56 -5.025 4.668 -12.753 1.00 33.45 H new ATOM 0 HZ1 LYS A 56 -4.602 7.036 -12.934 1.00 5.41 H new ATOM 0 HZ2 LYS A 56 -6.274 6.744 -12.954 1.00 5.41 H new ATOM 0 HZ3 LYS A 56 -5.535 7.347 -11.550 1.00 5.41 H new ATOM 896 N ALA A 57 -8.839 2.581 -6.649 1.00 45.01 N ATOM 897 CA ALA A 57 -9.969 2.196 -5.811 1.00 71.10 C ATOM 898 C ALA A 57 -10.434 3.364 -4.927 1.00 71.30 C ATOM 899 O ALA A 57 -11.631 3.468 -4.642 1.00 1.15 O ATOM 900 CB ALA A 57 -9.585 1.000 -4.959 1.00 51.34 C ATOM 0 H ALA A 57 -7.940 2.264 -6.286 1.00 45.01 H new ATOM 0 HA ALA A 57 -10.803 1.924 -6.458 1.00 71.10 H new ATOM 0 HB1 ALA A 57 -10.430 0.713 -4.333 1.00 51.34 H new ATOM 0 HB2 ALA A 57 -9.312 0.166 -5.605 1.00 51.34 H new ATOM 0 HB3 ALA A 57 -8.737 1.261 -4.326 1.00 51.34 H new ATOM 906 N LEU A 58 -9.484 4.233 -4.471 1.00 53.45 N ATOM 907 CA LEU A 58 -9.848 5.510 -3.781 1.00 4.44 C ATOM 908 C LEU A 58 -10.697 6.390 -4.737 1.00 24.11 C ATOM 909 O LEU A 58 -11.589 7.115 -4.286 1.00 12.25 O ATOM 910 CB LEU A 58 -8.601 6.344 -3.279 1.00 65.22 C ATOM 911 CG LEU A 58 -7.401 5.627 -2.470 1.00 14.32 C ATOM 912 CD1 LEU A 58 -6.288 6.615 -1.975 1.00 32.14 C ATOM 913 CD2 LEU A 58 -7.844 4.716 -1.280 1.00 31.30 C ATOM 0 H LEU A 58 -8.480 4.078 -4.566 1.00 53.45 H new ATOM 0 HA LEU A 58 -10.414 5.229 -2.893 1.00 4.44 H new ATOM 0 HB2 LEU A 58 -8.159 6.818 -4.155 1.00 65.22 H new ATOM 0 HB3 LEU A 58 -8.984 7.142 -2.644 1.00 65.22 H new ATOM 0 HG LEU A 58 -6.980 4.975 -3.235 1.00 14.32 H new ATOM 0 HD11 LEU A 58 -5.518 6.058 -1.441 1.00 32.14 H new ATOM 0 HD12 LEU A 58 -5.842 7.120 -2.832 1.00 32.14 H new ATOM 0 HD13 LEU A 58 -6.729 7.355 -1.307 1.00 32.14 H new ATOM 0 HD21 LEU A 58 -6.963 4.284 -0.805 1.00 31.30 H new ATOM 0 HD22 LEU A 58 -8.394 5.311 -0.551 1.00 31.30 H new ATOM 0 HD23 LEU A 58 -8.484 3.917 -1.653 1.00 31.30 H new ATOM 925 N ASP A 59 -10.406 6.319 -6.062 1.00 65.02 N ATOM 926 CA ASP A 59 -11.266 6.960 -7.097 1.00 32.22 C ATOM 927 C ASP A 59 -12.692 6.372 -7.097 1.00 22.02 C ATOM 928 O ASP A 59 -13.677 7.106 -7.144 1.00 72.41 O ATOM 929 CB ASP A 59 -10.688 6.807 -8.535 1.00 44.32 C ATOM 930 CG ASP A 59 -9.359 7.538 -8.765 1.00 2.22 C ATOM 931 OD1 ASP A 59 -9.365 8.630 -9.381 1.00 13.42 O ATOM 932 OD2 ASP A 59 -8.313 7.042 -8.330 1.00 42.04 O ATOM 0 H ASP A 59 -9.593 5.831 -6.438 1.00 65.02 H new ATOM 0 HA ASP A 59 -11.293 8.017 -6.831 1.00 32.22 H new ATOM 0 HB2 ASP A 59 -10.547 5.747 -8.746 1.00 44.32 H new ATOM 0 HB3 ASP A 59 -11.422 7.179 -9.250 1.00 44.32 H new ATOM 937 N ASN A 60 -12.784 5.034 -7.049 1.00 52.12 N ATOM 938 CA ASN A 60 -14.072 4.309 -7.149 1.00 51.23 C ATOM 939 C ASN A 60 -14.809 4.243 -5.802 1.00 22.44 C ATOM 940 O ASN A 60 -15.984 3.859 -5.775 1.00 62.32 O ATOM 941 CB ASN A 60 -13.856 2.876 -7.730 1.00 51.41 C ATOM 942 CG ASN A 60 -13.431 2.874 -9.201 1.00 31.01 C ATOM 943 OD1 ASN A 60 -13.717 3.804 -9.960 1.00 14.44 O ATOM 944 ND2 ASN A 60 -12.767 1.812 -9.625 1.00 13.22 N ATOM 0 H ASN A 60 -11.975 4.422 -6.940 1.00 52.12 H new ATOM 0 HA ASN A 60 -14.705 4.874 -7.834 1.00 51.23 H new ATOM 0 HB2 ASN A 60 -13.097 2.363 -7.139 1.00 51.41 H new ATOM 0 HB3 ASN A 60 -14.780 2.307 -7.626 1.00 51.41 H new ATOM 0 HD21 ASN A 60 -12.478 1.747 -10.601 1.00 13.22 H new ATOM 0 HD22 ASN A 60 -12.544 1.058 -8.976 1.00 13.22 H new ATOM 951 N SER A 61 -14.112 4.626 -4.704 1.00 32.41 N ATOM 952 CA SER A 61 -14.637 4.569 -3.327 1.00 54.42 C ATOM 953 C SER A 61 -15.011 3.116 -2.954 1.00 22.32 C ATOM 954 O SER A 61 -16.157 2.806 -2.610 1.00 34.42 O ATOM 955 CB SER A 61 -15.811 5.568 -3.120 1.00 74.01 C ATOM 956 OG SER A 61 -16.262 5.596 -1.769 1.00 73.54 O ATOM 0 H SER A 61 -13.159 4.986 -4.756 1.00 32.41 H new ATOM 0 HA SER A 61 -13.851 4.886 -2.641 1.00 54.42 H new ATOM 0 HB2 SER A 61 -15.492 6.567 -3.415 1.00 74.01 H new ATOM 0 HB3 SER A 61 -16.640 5.292 -3.772 1.00 74.01 H new ATOM 0 HG SER A 61 -16.561 4.701 -1.505 1.00 73.54 H new ATOM 962 N GLU A 62 -14.015 2.226 -3.075 1.00 51.41 N ATOM 963 CA GLU A 62 -14.137 0.797 -2.687 1.00 14.02 C ATOM 964 C GLU A 62 -13.739 0.564 -1.211 1.00 11.14 C ATOM 965 O GLU A 62 -13.212 -0.487 -0.882 1.00 41.22 O ATOM 966 CB GLU A 62 -13.308 -0.105 -3.665 1.00 15.25 C ATOM 967 CG GLU A 62 -14.014 -0.394 -5.018 1.00 52.41 C ATOM 968 CD GLU A 62 -15.263 -1.290 -4.878 1.00 64.21 C ATOM 969 OE1 GLU A 62 -15.107 -2.502 -4.609 1.00 3.41 O ATOM 970 OE2 GLU A 62 -16.401 -0.800 -5.044 1.00 64.22 O ATOM 0 H GLU A 62 -13.096 2.469 -3.445 1.00 51.41 H new ATOM 0 HA GLU A 62 -15.186 0.512 -2.771 1.00 14.02 H new ATOM 0 HB2 GLU A 62 -12.351 0.378 -3.863 1.00 15.25 H new ATOM 0 HB3 GLU A 62 -13.091 -1.052 -3.172 1.00 15.25 H new ATOM 0 HG2 GLU A 62 -14.303 0.551 -5.478 1.00 52.41 H new ATOM 0 HG3 GLU A 62 -13.306 -0.873 -5.694 1.00 52.41 H new ATOM 977 N TYR A 63 -14.018 1.560 -0.353 1.00 5.00 N ATOM 978 CA TYR A 63 -14.024 1.444 1.134 1.00 61.41 C ATOM 979 C TYR A 63 -12.629 1.265 1.790 1.00 61.14 C ATOM 980 O TYR A 63 -11.707 0.696 1.211 1.00 35.04 O ATOM 981 CB TYR A 63 -15.008 0.332 1.621 1.00 22.30 C ATOM 982 CG TYR A 63 -16.492 0.721 1.523 1.00 25.45 C ATOM 983 CD1 TYR A 63 -17.117 1.436 2.547 1.00 63.15 C ATOM 984 CD2 TYR A 63 -17.268 0.369 0.415 1.00 53.15 C ATOM 985 CE1 TYR A 63 -18.454 1.781 2.469 1.00 22.23 C ATOM 986 CE2 TYR A 63 -18.601 0.718 0.337 1.00 41.21 C ATOM 987 CZ TYR A 63 -19.190 1.420 1.364 1.00 31.21 C ATOM 988 OH TYR A 63 -20.524 1.768 1.290 1.00 74.24 O ATOM 0 H TYR A 63 -14.254 2.499 -0.674 1.00 5.00 H new ATOM 0 HA TYR A 63 -14.379 2.417 1.475 1.00 61.41 H new ATOM 0 HB2 TYR A 63 -14.840 -0.570 1.032 1.00 22.30 H new ATOM 0 HB3 TYR A 63 -14.776 0.084 2.657 1.00 22.30 H new ATOM 0 HD1 TYR A 63 -16.545 1.725 3.416 1.00 63.15 H new ATOM 0 HD2 TYR A 63 -16.817 -0.186 -0.394 1.00 53.15 H new ATOM 0 HE1 TYR A 63 -18.919 2.332 3.273 1.00 22.23 H new ATOM 0 HE2 TYR A 63 -19.182 0.440 -0.530 1.00 41.21 H new ATOM 0 HH TYR A 63 -20.901 1.441 0.447 1.00 74.24 H new ATOM 998 N LEU A 64 -12.551 1.638 3.072 1.00 62.11 N ATOM 999 CA LEU A 64 -11.249 1.726 3.794 1.00 72.42 C ATOM 1000 C LEU A 64 -10.828 0.330 4.299 1.00 40.13 C ATOM 1001 O LEU A 64 -9.709 -0.086 4.003 1.00 31.01 O ATOM 1002 CB LEU A 64 -11.180 2.813 4.962 1.00 54.25 C ATOM 1003 CG LEU A 64 -10.549 4.244 4.678 1.00 75.12 C ATOM 1004 CD1 LEU A 64 -9.074 4.139 4.176 1.00 4.44 C ATOM 1005 CD2 LEU A 64 -11.413 5.175 3.763 1.00 44.42 C ATOM 0 H LEU A 64 -13.361 1.885 3.640 1.00 62.11 H new ATOM 0 HA LEU A 64 -10.534 2.090 3.056 1.00 72.42 H new ATOM 0 HB2 LEU A 64 -12.198 2.972 5.318 1.00 54.25 H new ATOM 0 HB3 LEU A 64 -10.620 2.369 5.785 1.00 54.25 H new ATOM 0 HG LEU A 64 -10.543 4.741 5.648 1.00 75.12 H new ATOM 0 HD11 LEU A 64 -8.680 5.139 3.994 1.00 4.44 H new ATOM 0 HD12 LEU A 64 -8.467 3.642 4.932 1.00 4.44 H new ATOM 0 HD13 LEU A 64 -9.045 3.563 3.251 1.00 4.44 H new ATOM 0 HD21 LEU A 64 -10.901 6.128 3.627 1.00 44.42 H new ATOM 0 HD22 LEU A 64 -11.558 4.699 2.793 1.00 44.42 H new ATOM 0 HD23 LEU A 64 -12.382 5.348 4.231 1.00 44.42 H new ATOM 1017 N PRO A 65 -11.697 -0.431 5.063 1.00 65.43 N ATOM 1018 CA PRO A 65 -11.376 -1.832 5.460 1.00 54.14 C ATOM 1019 C PRO A 65 -11.138 -2.759 4.243 1.00 34.23 C ATOM 1020 O PRO A 65 -10.332 -3.708 4.309 1.00 45.43 O ATOM 1021 CB PRO A 65 -12.625 -2.276 6.269 1.00 45.03 C ATOM 1022 CG PRO A 65 -13.250 -1.001 6.743 1.00 4.52 C ATOM 1023 CD PRO A 65 -13.018 -0.011 5.627 1.00 13.13 C ATOM 0 HA PRO A 65 -10.448 -1.891 6.029 1.00 54.14 H new ATOM 0 HB2 PRO A 65 -13.315 -2.847 5.648 1.00 45.03 H new ATOM 0 HB3 PRO A 65 -12.346 -2.915 7.107 1.00 45.03 H new ATOM 0 HG2 PRO A 65 -14.314 -1.132 6.939 1.00 4.52 H new ATOM 0 HG3 PRO A 65 -12.795 -0.661 7.673 1.00 4.52 H new ATOM 0 HD2 PRO A 65 -13.808 -0.057 4.878 1.00 13.13 H new ATOM 0 HD3 PRO A 65 -12.990 1.014 5.998 1.00 13.13 H new ATOM 1031 N LYS A 66 -11.815 -2.437 3.115 1.00 0.23 N ATOM 1032 CA LYS A 66 -11.779 -3.259 1.898 1.00 11.24 C ATOM 1033 C LYS A 66 -10.422 -3.097 1.194 1.00 2.45 C ATOM 1034 O LYS A 66 -9.809 -4.092 0.821 1.00 64.11 O ATOM 1035 CB LYS A 66 -12.969 -2.906 0.954 1.00 23.31 C ATOM 1036 CG LYS A 66 -12.962 -3.614 -0.427 1.00 75.41 C ATOM 1037 CD LYS A 66 -13.114 -5.140 -0.318 1.00 10.11 C ATOM 1038 CE LYS A 66 -13.095 -5.845 -1.684 1.00 61.24 C ATOM 1039 NZ LYS A 66 -13.236 -7.318 -1.545 1.00 45.11 N ATOM 0 H LYS A 66 -12.396 -1.603 3.031 1.00 0.23 H new ATOM 0 HA LYS A 66 -11.891 -4.307 2.174 1.00 11.24 H new ATOM 0 HB2 LYS A 66 -13.900 -3.153 1.464 1.00 23.31 H new ATOM 0 HB3 LYS A 66 -12.972 -1.828 0.790 1.00 23.31 H new ATOM 0 HG2 LYS A 66 -13.772 -3.216 -1.038 1.00 75.41 H new ATOM 0 HG3 LYS A 66 -12.030 -3.383 -0.943 1.00 75.41 H new ATOM 0 HD2 LYS A 66 -12.309 -5.536 0.300 1.00 10.11 H new ATOM 0 HD3 LYS A 66 -14.050 -5.371 0.191 1.00 10.11 H new ATOM 0 HE2 LYS A 66 -13.904 -5.459 -2.304 1.00 61.24 H new ATOM 0 HE3 LYS A 66 -12.162 -5.616 -2.199 1.00 61.24 H new ATOM 0 HZ1 LYS A 66 -13.219 -7.759 -2.487 1.00 45.11 H new ATOM 0 HZ2 LYS A 66 -12.450 -7.690 -0.974 1.00 45.11 H new ATOM 0 HZ3 LYS A 66 -14.138 -7.538 -1.076 1.00 45.11 H new ATOM 1053 N ILE A 67 -9.932 -1.844 1.073 1.00 14.43 N ATOM 1054 CA ILE A 67 -8.645 -1.546 0.409 1.00 42.33 C ATOM 1055 C ILE A 67 -7.455 -1.887 1.325 1.00 35.00 C ATOM 1056 O ILE A 67 -6.372 -2.222 0.834 1.00 34.42 O ATOM 1057 CB ILE A 67 -8.622 -0.046 -0.065 1.00 4.33 C ATOM 1058 CG1 ILE A 67 -9.778 0.173 -1.078 1.00 15.54 C ATOM 1059 CG2 ILE A 67 -7.263 0.363 -0.686 1.00 35.11 C ATOM 1060 CD1 ILE A 67 -9.970 1.605 -1.533 1.00 34.13 C ATOM 0 H ILE A 67 -10.413 -1.018 1.429 1.00 14.43 H new ATOM 0 HA ILE A 67 -8.546 -2.177 -0.474 1.00 42.33 H new ATOM 0 HB ILE A 67 -8.759 0.591 0.809 1.00 4.33 H new ATOM 0 HG12 ILE A 67 -9.595 -0.449 -1.954 1.00 15.54 H new ATOM 0 HG13 ILE A 67 -10.707 -0.176 -0.627 1.00 15.54 H new ATOM 0 HG21 ILE A 67 -7.304 1.407 -0.995 1.00 35.11 H new ATOM 0 HG22 ILE A 67 -6.472 0.234 0.053 1.00 35.11 H new ATOM 0 HG23 ILE A 67 -7.056 -0.264 -1.553 1.00 35.11 H new ATOM 0 HD11 ILE A 67 -10.800 1.655 -2.238 1.00 34.13 H new ATOM 0 HD12 ILE A 67 -10.189 2.235 -0.670 1.00 34.13 H new ATOM 0 HD13 ILE A 67 -9.060 1.958 -2.018 1.00 34.13 H new ATOM 1072 N ILE A 68 -7.679 -1.855 2.660 1.00 42.31 N ATOM 1073 CA ILE A 68 -6.704 -2.375 3.645 1.00 42.02 C ATOM 1074 C ILE A 68 -6.491 -3.884 3.398 1.00 2.40 C ATOM 1075 O ILE A 68 -5.348 -4.363 3.379 1.00 3.32 O ATOM 1076 CB ILE A 68 -7.150 -2.089 5.141 1.00 25.50 C ATOM 1077 CG1 ILE A 68 -6.911 -0.585 5.502 1.00 72.35 C ATOM 1078 CG2 ILE A 68 -6.448 -3.032 6.158 1.00 5.51 C ATOM 1079 CD1 ILE A 68 -7.435 -0.176 6.864 1.00 33.02 C ATOM 0 H ILE A 68 -8.527 -1.474 3.079 1.00 42.31 H new ATOM 0 HA ILE A 68 -5.759 -1.849 3.507 1.00 42.02 H new ATOM 0 HB ILE A 68 -8.217 -2.299 5.211 1.00 25.50 H new ATOM 0 HG12 ILE A 68 -5.841 -0.380 5.461 1.00 72.35 H new ATOM 0 HG13 ILE A 68 -7.384 0.038 4.743 1.00 72.35 H new ATOM 0 HG21 ILE A 68 -6.787 -2.796 7.167 1.00 5.51 H new ATOM 0 HG22 ILE A 68 -6.696 -4.068 5.925 1.00 5.51 H new ATOM 0 HG23 ILE A 68 -5.368 -2.895 6.096 1.00 5.51 H new ATOM 0 HD11 ILE A 68 -7.227 0.881 7.032 1.00 33.02 H new ATOM 0 HD12 ILE A 68 -8.511 -0.345 6.906 1.00 33.02 H new ATOM 0 HD13 ILE A 68 -6.944 -0.769 7.636 1.00 33.02 H new ATOM 1091 N LEU A 69 -7.610 -4.608 3.142 1.00 52.32 N ATOM 1092 CA LEU A 69 -7.556 -6.042 2.808 1.00 53.24 C ATOM 1093 C LEU A 69 -6.884 -6.226 1.438 1.00 54.15 C ATOM 1094 O LEU A 69 -5.985 -7.026 1.345 1.00 63.03 O ATOM 1095 CB LEU A 69 -8.972 -6.700 2.844 1.00 31.24 C ATOM 1096 CG LEU A 69 -9.037 -8.255 3.265 1.00 73.54 C ATOM 1097 CD1 LEU A 69 -10.473 -8.842 3.291 1.00 75.15 C ATOM 1098 CD2 LEU A 69 -8.109 -9.188 2.439 1.00 12.30 C ATOM 0 H LEU A 69 -8.553 -4.219 3.162 1.00 52.32 H new ATOM 0 HA LEU A 69 -6.959 -6.552 3.565 1.00 53.24 H new ATOM 0 HB2 LEU A 69 -9.593 -6.133 3.538 1.00 31.24 H new ATOM 0 HB3 LEU A 69 -9.421 -6.596 1.856 1.00 31.24 H new ATOM 0 HG LEU A 69 -8.658 -8.236 4.287 1.00 73.54 H new ATOM 0 HD11 LEU A 69 -10.432 -9.891 3.583 1.00 75.15 H new ATOM 0 HD12 LEU A 69 -11.079 -8.289 4.009 1.00 75.15 H new ATOM 0 HD13 LEU A 69 -10.918 -8.759 2.300 1.00 75.15 H new ATOM 0 HD21 LEU A 69 -8.218 -10.214 2.791 1.00 12.30 H new ATOM 0 HD22 LEU A 69 -8.384 -9.134 1.386 1.00 12.30 H new ATOM 0 HD23 LEU A 69 -7.073 -8.871 2.560 1.00 12.30 H new ATOM 1110 N ASN A 70 -7.289 -5.437 0.407 1.00 33.32 N ATOM 1111 CA ASN A 70 -6.761 -5.587 -0.983 1.00 0.20 C ATOM 1112 C ASN A 70 -5.228 -5.396 -1.016 1.00 63.01 C ATOM 1113 O ASN A 70 -4.509 -6.127 -1.716 1.00 33.54 O ATOM 1114 CB ASN A 70 -7.426 -4.573 -1.975 1.00 0.30 C ATOM 1115 CG ASN A 70 -8.946 -4.710 -2.116 1.00 62.55 C ATOM 1116 OD1 ASN A 70 -9.515 -5.798 -2.002 1.00 12.13 O ATOM 1117 ND2 ASN A 70 -9.615 -3.590 -2.372 1.00 3.40 N ATOM 0 H ASN A 70 -7.978 -4.691 0.508 1.00 33.32 H new ATOM 0 HA ASN A 70 -7.010 -6.599 -1.303 1.00 0.20 H new ATOM 0 HB2 ASN A 70 -7.196 -3.560 -1.644 1.00 0.30 H new ATOM 0 HB3 ASN A 70 -6.972 -4.698 -2.958 1.00 0.30 H new ATOM 0 HD21 ASN A 70 -10.629 -3.615 -2.480 1.00 3.40 H new ATOM 0 HD22 ASN A 70 -9.114 -2.706 -2.460 1.00 3.40 H new ATOM 1124 N LEU A 71 -4.740 -4.452 -0.184 1.00 31.24 N ATOM 1125 CA LEU A 71 -3.318 -4.095 -0.117 1.00 63.21 C ATOM 1126 C LEU A 71 -2.580 -5.224 0.610 1.00 32.32 C ATOM 1127 O LEU A 71 -1.540 -5.686 0.156 1.00 53.23 O ATOM 1128 CB LEU A 71 -3.171 -2.705 0.612 1.00 71.34 C ATOM 1129 CG LEU A 71 -1.772 -1.948 0.657 1.00 24.32 C ATOM 1130 CD1 LEU A 71 -0.815 -2.511 1.729 1.00 10.31 C ATOM 1131 CD2 LEU A 71 -1.072 -1.875 -0.723 1.00 42.44 C ATOM 0 H LEU A 71 -5.326 -3.919 0.458 1.00 31.24 H new ATOM 0 HA LEU A 71 -2.880 -3.986 -1.109 1.00 63.21 H new ATOM 0 HB2 LEU A 71 -3.887 -2.025 0.151 1.00 71.34 H new ATOM 0 HB3 LEU A 71 -3.489 -2.851 1.644 1.00 71.34 H new ATOM 0 HG LEU A 71 -2.020 -0.927 0.946 1.00 24.32 H new ATOM 0 HD11 LEU A 71 0.121 -1.953 1.710 1.00 10.31 H new ATOM 0 HD12 LEU A 71 -1.274 -2.416 2.713 1.00 10.31 H new ATOM 0 HD13 LEU A 71 -0.615 -3.562 1.522 1.00 10.31 H new ATOM 0 HD21 LEU A 71 -0.124 -1.347 -0.623 1.00 42.44 H new ATOM 0 HD22 LEU A 71 -0.888 -2.884 -1.091 1.00 42.44 H new ATOM 0 HD23 LEU A 71 -1.711 -1.343 -1.427 1.00 42.44 H new ATOM 1143 N ARG A 72 -3.208 -5.715 1.696 1.00 22.21 N ATOM 1144 CA ARG A 72 -2.676 -6.839 2.490 1.00 25.05 C ATOM 1145 C ARG A 72 -2.808 -8.162 1.691 1.00 20.22 C ATOM 1146 O ARG A 72 -2.045 -9.084 1.899 1.00 61.23 O ATOM 1147 CB ARG A 72 -3.412 -6.963 3.871 1.00 53.15 C ATOM 1148 CG ARG A 72 -2.709 -7.884 4.890 1.00 25.34 C ATOM 1149 CD ARG A 72 -3.574 -8.144 6.132 1.00 53.23 C ATOM 1150 NE ARG A 72 -4.812 -8.858 5.800 1.00 4.31 N ATOM 1151 CZ ARG A 72 -5.913 -8.870 6.557 1.00 55.15 C ATOM 1152 NH1 ARG A 72 -5.962 -8.182 7.698 1.00 22.04 N ATOM 1153 NH2 ARG A 72 -6.980 -9.555 6.164 1.00 4.11 N ATOM 0 H ARG A 72 -4.092 -5.346 2.046 1.00 22.21 H new ATOM 0 HA ARG A 72 -1.623 -6.643 2.690 1.00 25.05 H new ATOM 0 HB2 ARG A 72 -3.510 -5.969 4.307 1.00 53.15 H new ATOM 0 HB3 ARG A 72 -4.421 -7.337 3.698 1.00 53.15 H new ATOM 0 HG2 ARG A 72 -2.468 -8.834 4.412 1.00 25.34 H new ATOM 0 HG3 ARG A 72 -1.765 -7.432 5.195 1.00 25.34 H new ATOM 0 HD2 ARG A 72 -3.003 -8.725 6.856 1.00 53.23 H new ATOM 0 HD3 ARG A 72 -3.820 -7.195 6.608 1.00 53.23 H new ATOM 0 HE ARG A 72 -4.834 -9.384 4.927 1.00 4.31 H new ATOM 0 HH11 ARG A 72 -5.154 -7.639 8.001 1.00 22.04 H new ATOM 0 HH12 ARG A 72 -6.808 -8.199 8.268 1.00 22.04 H new ATOM 0 HH21 ARG A 72 -6.959 -10.072 5.285 1.00 4.11 H new ATOM 0 HH22 ARG A 72 -7.821 -9.565 6.741 1.00 4.11 H new ATOM 1167 N LYS A 73 -3.752 -8.216 0.727 1.00 51.45 N ATOM 1168 CA LYS A 73 -4.072 -9.446 -0.023 1.00 43.41 C ATOM 1169 C LYS A 73 -3.075 -9.598 -1.166 1.00 51.13 C ATOM 1170 O LYS A 73 -2.754 -10.712 -1.578 1.00 43.32 O ATOM 1171 CB LYS A 73 -5.547 -9.408 -0.535 1.00 3.14 C ATOM 1172 CG LYS A 73 -6.023 -10.640 -1.330 1.00 23.42 C ATOM 1173 CD LYS A 73 -7.518 -10.534 -1.734 1.00 3.14 C ATOM 1174 CE LYS A 73 -7.954 -11.661 -2.683 1.00 74.53 C ATOM 1175 NZ LYS A 73 -7.330 -11.536 -4.035 1.00 10.41 N ATOM 0 H LYS A 73 -4.311 -7.410 0.449 1.00 51.45 H new ATOM 0 HA LYS A 73 -3.988 -10.315 0.630 1.00 43.41 H new ATOM 0 HB2 LYS A 73 -6.205 -9.280 0.325 1.00 3.14 H new ATOM 0 HB3 LYS A 73 -5.669 -8.526 -1.164 1.00 3.14 H new ATOM 0 HG2 LYS A 73 -5.413 -10.750 -2.227 1.00 23.42 H new ATOM 0 HG3 LYS A 73 -5.873 -11.538 -0.730 1.00 23.42 H new ATOM 0 HD2 LYS A 73 -8.136 -10.560 -0.836 1.00 3.14 H new ATOM 0 HD3 LYS A 73 -7.694 -9.571 -2.214 1.00 3.14 H new ATOM 0 HE2 LYS A 73 -7.685 -12.624 -2.248 1.00 74.53 H new ATOM 0 HE3 LYS A 73 -9.039 -11.649 -2.783 1.00 74.53 H new ATOM 0 HZ1 LYS A 73 -7.730 -12.256 -4.670 1.00 10.41 H new ATOM 0 HZ2 LYS A 73 -7.523 -10.589 -4.420 1.00 10.41 H new ATOM 0 HZ3 LYS A 73 -6.302 -11.675 -3.957 1.00 10.41 H new ATOM 1189 N ALA A 74 -2.566 -8.460 -1.648 1.00 73.41 N ATOM 1190 CA ALA A 74 -1.507 -8.423 -2.647 1.00 5.13 C ATOM 1191 C ALA A 74 -0.119 -8.577 -1.988 1.00 62.20 C ATOM 1192 O ALA A 74 0.751 -9.259 -2.536 1.00 10.41 O ATOM 1193 CB ALA A 74 -1.606 -7.115 -3.448 1.00 1.12 C ATOM 0 H ALA A 74 -2.882 -7.537 -1.351 1.00 73.41 H new ATOM 0 HA ALA A 74 -1.631 -9.262 -3.331 1.00 5.13 H new ATOM 0 HB1 ALA A 74 -0.814 -7.086 -4.196 1.00 1.12 H new ATOM 0 HB2 ALA A 74 -2.575 -7.064 -3.944 1.00 1.12 H new ATOM 0 HB3 ALA A 74 -1.499 -6.266 -2.773 1.00 1.12 H new ATOM 1199 N LEU A 75 0.089 -7.971 -0.787 1.00 41.33 N ATOM 1200 CA LEU A 75 1.443 -7.894 -0.171 1.00 3.32 C ATOM 1201 C LEU A 75 1.769 -9.053 0.792 1.00 15.45 C ATOM 1202 O LEU A 75 2.944 -9.391 0.910 1.00 1.42 O ATOM 1203 CB LEU A 75 1.704 -6.518 0.537 1.00 44.04 C ATOM 1204 CG LEU A 75 1.519 -5.172 -0.280 1.00 52.20 C ATOM 1205 CD1 LEU A 75 2.167 -3.974 0.460 1.00 61.11 C ATOM 1206 CD2 LEU A 75 2.015 -5.246 -1.745 1.00 40.23 C ATOM 0 H LEU A 75 -0.650 -7.536 -0.234 1.00 41.33 H new ATOM 0 HA LEU A 75 2.123 -7.988 -1.018 1.00 3.32 H new ATOM 0 HB2 LEU A 75 1.046 -6.467 1.404 1.00 44.04 H new ATOM 0 HB3 LEU A 75 2.727 -6.533 0.914 1.00 44.04 H new ATOM 0 HG LEU A 75 0.442 -5.016 -0.339 1.00 52.20 H new ATOM 0 HD11 LEU A 75 2.024 -3.065 -0.124 1.00 61.11 H new ATOM 0 HD12 LEU A 75 1.700 -3.854 1.437 1.00 61.11 H new ATOM 0 HD13 LEU A 75 3.234 -4.159 0.588 1.00 61.11 H new ATOM 0 HD21 LEU A 75 1.852 -4.285 -2.233 1.00 40.23 H new ATOM 0 HD22 LEU A 75 3.079 -5.484 -1.757 1.00 40.23 H new ATOM 0 HD23 LEU A 75 1.464 -6.021 -2.277 1.00 40.23 H new ATOM 1218 N THR A 76 0.760 -9.658 1.463 1.00 10.12 N ATOM 1219 CA THR A 76 1.008 -10.808 2.384 1.00 51.21 C ATOM 1220 C THR A 76 1.666 -12.029 1.663 1.00 61.44 C ATOM 1221 O THR A 76 2.623 -12.576 2.212 1.00 24.24 O ATOM 1222 CB THR A 76 -0.263 -11.259 3.201 1.00 42.21 C ATOM 1223 OG1 THR A 76 -0.711 -10.191 4.032 1.00 3.11 O ATOM 1224 CG2 THR A 76 -0.003 -12.506 4.077 1.00 41.22 C ATOM 0 H THR A 76 -0.219 -9.380 1.391 1.00 10.12 H new ATOM 0 HA THR A 76 1.723 -10.422 3.110 1.00 51.21 H new ATOM 0 HB THR A 76 -1.027 -11.524 2.470 1.00 42.21 H new ATOM 0 HG1 THR A 76 0.042 -9.847 4.557 1.00 3.11 H new ATOM 0 HG21 THR A 76 -0.914 -12.769 4.615 1.00 41.22 H new ATOM 0 HG22 THR A 76 0.297 -13.340 3.443 1.00 41.22 H new ATOM 0 HG23 THR A 76 0.791 -12.290 4.791 1.00 41.22 H new ATOM 1232 N PRO A 77 1.203 -12.489 0.426 1.00 51.13 N ATOM 1233 CA PRO A 77 1.880 -13.602 -0.308 1.00 60.31 C ATOM 1234 C PRO A 77 3.381 -13.326 -0.567 1.00 0.21 C ATOM 1235 O PRO A 77 4.230 -14.187 -0.316 1.00 71.44 O ATOM 1236 CB PRO A 77 1.085 -13.699 -1.633 1.00 62.22 C ATOM 1237 CG PRO A 77 -0.261 -13.155 -1.303 1.00 31.41 C ATOM 1238 CD PRO A 77 0.000 -12.024 -0.340 1.00 53.34 C ATOM 0 HA PRO A 77 1.876 -14.529 0.266 1.00 60.31 H new ATOM 0 HB2 PRO A 77 1.563 -13.122 -2.425 1.00 62.22 H new ATOM 0 HB3 PRO A 77 1.021 -14.729 -1.983 1.00 62.22 H new ATOM 0 HG2 PRO A 77 -0.774 -12.801 -2.197 1.00 31.41 H new ATOM 0 HG3 PRO A 77 -0.896 -13.918 -0.853 1.00 31.41 H new ATOM 0 HD2 PRO A 77 0.194 -11.088 -0.863 1.00 53.34 H new ATOM 0 HD3 PRO A 77 -0.852 -11.851 0.317 1.00 53.34 H new ATOM 1246 N LEU A 78 3.685 -12.096 -1.024 1.00 5.12 N ATOM 1247 CA LEU A 78 5.075 -11.669 -1.341 1.00 73.43 C ATOM 1248 C LEU A 78 5.893 -11.459 -0.051 1.00 73.11 C ATOM 1249 O LEU A 78 7.115 -11.588 -0.067 1.00 5.44 O ATOM 1250 CB LEU A 78 5.093 -10.359 -2.197 1.00 11.34 C ATOM 1251 CG LEU A 78 4.084 -10.294 -3.413 1.00 32.04 C ATOM 1252 CD1 LEU A 78 4.070 -8.909 -4.097 1.00 74.32 C ATOM 1253 CD2 LEU A 78 4.349 -11.390 -4.477 1.00 14.23 C ATOM 0 H LEU A 78 2.986 -11.371 -1.185 1.00 5.12 H new ATOM 0 HA LEU A 78 5.531 -12.468 -1.926 1.00 73.43 H new ATOM 0 HB2 LEU A 78 4.885 -9.517 -1.536 1.00 11.34 H new ATOM 0 HB3 LEU A 78 6.102 -10.219 -2.584 1.00 11.34 H new ATOM 0 HG LEU A 78 3.104 -10.476 -2.972 1.00 32.04 H new ATOM 0 HD11 LEU A 78 3.361 -8.919 -4.925 1.00 74.32 H new ATOM 0 HD12 LEU A 78 3.773 -8.149 -3.374 1.00 74.32 H new ATOM 0 HD13 LEU A 78 5.066 -8.680 -4.476 1.00 74.32 H new ATOM 0 HD21 LEU A 78 3.625 -11.294 -5.286 1.00 14.23 H new ATOM 0 HD22 LEU A 78 5.357 -11.274 -4.876 1.00 14.23 H new ATOM 0 HD23 LEU A 78 4.252 -12.374 -4.018 1.00 14.23 H new ATOM 1265 N ALA A 79 5.201 -11.138 1.059 1.00 2.30 N ATOM 1266 CA ALA A 79 5.833 -10.971 2.383 1.00 61.35 C ATOM 1267 C ALA A 79 6.376 -12.320 2.889 1.00 61.44 C ATOM 1268 O ALA A 79 7.550 -12.432 3.258 1.00 52.44 O ATOM 1269 CB ALA A 79 4.830 -10.380 3.384 1.00 64.21 C ATOM 0 H ALA A 79 4.192 -10.988 1.064 1.00 2.30 H new ATOM 0 HA ALA A 79 6.669 -10.278 2.287 1.00 61.35 H new ATOM 0 HB1 ALA A 79 5.311 -10.263 4.355 1.00 64.21 H new ATOM 0 HB2 ALA A 79 4.491 -9.407 3.028 1.00 64.21 H new ATOM 0 HB3 ALA A 79 3.975 -11.049 3.481 1.00 64.21 H new ATOM 1275 N ILE A 80 5.511 -13.348 2.800 1.00 23.24 N ATOM 1276 CA ILE A 80 5.802 -14.720 3.269 1.00 21.45 C ATOM 1277 C ILE A 80 6.883 -15.362 2.377 1.00 11.42 C ATOM 1278 O ILE A 80 7.763 -16.077 2.858 1.00 23.41 O ATOM 1279 CB ILE A 80 4.482 -15.595 3.279 1.00 35.43 C ATOM 1280 CG1 ILE A 80 3.380 -14.931 4.182 1.00 61.24 C ATOM 1281 CG2 ILE A 80 4.762 -17.057 3.721 1.00 14.31 C ATOM 1282 CD1 ILE A 80 2.010 -15.576 4.071 1.00 32.32 C ATOM 0 H ILE A 80 4.579 -13.250 2.396 1.00 23.24 H new ATOM 0 HA ILE A 80 6.180 -14.673 4.290 1.00 21.45 H new ATOM 0 HB ILE A 80 4.107 -15.635 2.256 1.00 35.43 H new ATOM 0 HG12 ILE A 80 3.705 -14.972 5.222 1.00 61.24 H new ATOM 0 HG13 ILE A 80 3.295 -13.877 3.916 1.00 61.24 H new ATOM 0 HG21 ILE A 80 3.831 -17.624 3.714 1.00 14.31 H new ATOM 0 HG22 ILE A 80 5.471 -17.516 3.032 1.00 14.31 H new ATOM 0 HG23 ILE A 80 5.181 -17.059 4.727 1.00 14.31 H new ATOM 0 HD11 ILE A 80 1.310 -15.058 4.726 1.00 32.32 H new ATOM 0 HD12 ILE A 80 1.660 -15.511 3.041 1.00 32.32 H new ATOM 0 HD13 ILE A 80 2.076 -16.623 4.367 1.00 32.32 H new ATOM 1294 N ASN A 81 6.815 -15.050 1.072 1.00 21.24 N ATOM 1295 CA ASN A 81 7.812 -15.493 0.078 1.00 41.21 C ATOM 1296 C ASN A 81 9.079 -14.603 0.109 1.00 61.50 C ATOM 1297 O ASN A 81 10.069 -14.938 -0.553 1.00 44.54 O ATOM 1298 CB ASN A 81 7.175 -15.518 -1.339 1.00 54.23 C ATOM 1299 CG ASN A 81 6.070 -16.575 -1.495 1.00 10.31 C ATOM 1300 OD1 ASN A 81 5.396 -16.953 -0.533 1.00 51.30 O ATOM 1301 ND2 ASN A 81 5.863 -17.053 -2.715 1.00 3.31 N ATOM 0 H ASN A 81 6.067 -14.483 0.674 1.00 21.24 H new ATOM 0 HA ASN A 81 8.127 -16.504 0.335 1.00 41.21 H new ATOM 0 HB2 ASN A 81 6.760 -14.535 -1.560 1.00 54.23 H new ATOM 0 HB3 ASN A 81 7.955 -15.708 -2.076 1.00 54.23 H new ATOM 0 HD21 ASN A 81 5.134 -17.748 -2.873 1.00 3.31 H new ATOM 0 HD22 ASN A 81 6.433 -16.725 -3.495 1.00 3.31 H new ATOM 1308 N ARG A 82 9.023 -13.474 0.877 1.00 33.31 N ATOM 1309 CA ARG A 82 10.182 -12.574 1.134 1.00 21.02 C ATOM 1310 C ARG A 82 10.760 -11.988 -0.182 1.00 42.13 C ATOM 1311 O ARG A 82 11.938 -12.174 -0.511 1.00 24.24 O ATOM 1312 CB ARG A 82 11.277 -13.275 2.011 1.00 64.42 C ATOM 1313 CG ARG A 82 10.838 -13.627 3.458 1.00 33.20 C ATOM 1314 CD ARG A 82 12.000 -14.141 4.326 1.00 15.44 C ATOM 1315 NE ARG A 82 13.059 -13.129 4.483 1.00 23.51 N ATOM 1316 CZ ARG A 82 14.152 -13.261 5.262 1.00 1.03 C ATOM 1317 NH1 ARG A 82 14.358 -14.370 5.987 1.00 53.04 N ATOM 1318 NH2 ARG A 82 15.037 -12.263 5.327 1.00 13.43 N ATOM 0 H ARG A 82 8.166 -13.164 1.336 1.00 33.31 H new ATOM 0 HA ARG A 82 9.814 -11.727 1.714 1.00 21.02 H new ATOM 0 HB2 ARG A 82 11.590 -14.191 1.510 1.00 64.42 H new ATOM 0 HB3 ARG A 82 12.151 -12.625 2.061 1.00 64.42 H new ATOM 0 HG2 ARG A 82 10.404 -12.743 3.926 1.00 33.20 H new ATOM 0 HG3 ARG A 82 10.055 -14.385 3.421 1.00 33.20 H new ATOM 0 HD2 ARG A 82 11.621 -14.425 5.308 1.00 15.44 H new ATOM 0 HD3 ARG A 82 12.421 -15.039 3.874 1.00 15.44 H new ATOM 0 HE ARG A 82 12.957 -12.259 3.961 1.00 23.51 H new ATOM 0 HH11 ARG A 82 13.682 -15.133 5.955 1.00 53.04 H new ATOM 0 HH12 ARG A 82 15.191 -14.451 6.570 1.00 53.04 H new ATOM 0 HH21 ARG A 82 14.883 -11.409 4.790 1.00 13.43 H new ATOM 0 HH22 ARG A 82 15.866 -12.354 5.914 1.00 13.43 H new ATOM 1332 N THR A 83 9.886 -11.296 -0.933 1.00 21.34 N ATOM 1333 CA THR A 83 10.208 -10.689 -2.246 1.00 12.22 C ATOM 1334 C THR A 83 9.837 -9.194 -2.294 1.00 51.13 C ATOM 1335 O THR A 83 10.204 -8.507 -3.248 1.00 33.34 O ATOM 1336 CB THR A 83 9.466 -11.457 -3.398 1.00 11.00 C ATOM 1337 OG1 THR A 83 8.068 -11.583 -3.082 1.00 14.35 O ATOM 1338 CG2 THR A 83 10.066 -12.851 -3.646 1.00 44.31 C ATOM 0 H THR A 83 8.920 -11.138 -0.645 1.00 21.34 H new ATOM 0 HA THR A 83 11.286 -10.772 -2.387 1.00 12.22 H new ATOM 0 HB THR A 83 9.592 -10.875 -4.311 1.00 11.00 H new ATOM 0 HG1 THR A 83 7.611 -12.061 -3.805 1.00 14.35 H new ATOM 0 HG21 THR A 83 9.521 -13.344 -4.451 1.00 44.31 H new ATOM 0 HG22 THR A 83 11.115 -12.751 -3.926 1.00 44.31 H new ATOM 0 HG23 THR A 83 9.989 -13.447 -2.737 1.00 44.31 H new ATOM 1346 N LEU A 84 9.110 -8.696 -1.280 1.00 13.42 N ATOM 1347 CA LEU A 84 8.742 -7.265 -1.182 1.00 22.11 C ATOM 1348 C LEU A 84 9.967 -6.454 -0.700 1.00 71.24 C ATOM 1349 O LEU A 84 10.651 -6.884 0.226 1.00 30.34 O ATOM 1350 CB LEU A 84 7.502 -7.132 -0.244 1.00 63.25 C ATOM 1351 CG LEU A 84 6.765 -5.735 -0.183 1.00 23.02 C ATOM 1352 CD1 LEU A 84 5.267 -5.925 0.100 1.00 20.21 C ATOM 1353 CD2 LEU A 84 7.363 -4.786 0.881 1.00 1.42 C ATOM 0 H LEU A 84 8.761 -9.265 -0.509 1.00 13.42 H new ATOM 0 HA LEU A 84 8.460 -6.856 -2.152 1.00 22.11 H new ATOM 0 HB2 LEU A 84 6.772 -7.882 -0.547 1.00 63.25 H new ATOM 0 HB3 LEU A 84 7.819 -7.387 0.767 1.00 63.25 H new ATOM 0 HG LEU A 84 6.908 -5.274 -1.160 1.00 23.02 H new ATOM 0 HD11 LEU A 84 4.778 -4.952 0.138 1.00 20.21 H new ATOM 0 HD12 LEU A 84 4.820 -6.525 -0.693 1.00 20.21 H new ATOM 0 HD13 LEU A 84 5.139 -6.433 1.056 1.00 20.21 H new ATOM 0 HD21 LEU A 84 6.816 -3.843 0.876 1.00 1.42 H new ATOM 0 HD22 LEU A 84 7.283 -5.247 1.866 1.00 1.42 H new ATOM 0 HD23 LEU A 84 8.412 -4.598 0.652 1.00 1.42 H new ATOM 1365 N ASN A 85 10.209 -5.279 -1.326 1.00 54.41 N ATOM 1366 CA ASN A 85 11.482 -4.479 -1.147 1.00 61.40 C ATOM 1367 C ASN A 85 11.775 -4.132 0.350 1.00 4.14 C ATOM 1368 O ASN A 85 12.929 -3.872 0.710 1.00 4.23 O ATOM 1369 CB ASN A 85 11.489 -3.168 -2.024 1.00 3.54 C ATOM 1370 CG ASN A 85 12.834 -2.421 -2.005 1.00 22.43 C ATOM 1371 OD1 ASN A 85 13.906 -3.025 -1.972 1.00 34.11 O ATOM 1372 ND2 ASN A 85 12.795 -1.103 -2.022 1.00 33.14 N ATOM 0 H ASN A 85 9.545 -4.846 -1.968 1.00 54.41 H new ATOM 0 HA ASN A 85 12.285 -5.128 -1.497 1.00 61.40 H new ATOM 0 HB2 ASN A 85 11.242 -3.428 -3.053 1.00 3.54 H new ATOM 0 HB3 ASN A 85 10.706 -2.498 -1.668 1.00 3.54 H new ATOM 0 HD21 ASN A 85 13.663 -0.567 -2.008 1.00 33.14 H new ATOM 0 HD22 ASN A 85 11.897 -0.620 -2.049 1.00 33.14 H new ATOM 1379 N HIS A 86 10.705 -4.112 1.182 1.00 54.32 N ATOM 1380 CA HIS A 86 10.762 -3.990 2.672 1.00 31.41 C ATOM 1381 C HIS A 86 11.090 -2.547 3.137 1.00 41.45 C ATOM 1382 O HIS A 86 11.161 -2.270 4.336 1.00 51.51 O ATOM 1383 CB HIS A 86 11.755 -5.035 3.279 1.00 50.15 C ATOM 1384 CG HIS A 86 11.645 -5.249 4.773 1.00 61.43 C ATOM 1385 ND1 HIS A 86 12.369 -4.526 5.706 1.00 41.04 N ATOM 1386 CD2 HIS A 86 10.893 -6.115 5.490 1.00 63.31 C ATOM 1387 CE1 HIS A 86 12.069 -4.940 6.915 1.00 14.54 C ATOM 1388 NE2 HIS A 86 11.180 -5.901 6.811 1.00 62.44 N ATOM 0 H HIS A 86 9.749 -4.182 0.832 1.00 54.32 H new ATOM 0 HA HIS A 86 9.765 -4.213 3.052 1.00 31.41 H new ATOM 0 HB2 HIS A 86 11.598 -5.991 2.780 1.00 50.15 H new ATOM 0 HB3 HIS A 86 12.773 -4.719 3.049 1.00 50.15 H new ATOM 0 HD2 HIS A 86 10.197 -6.839 5.094 1.00 63.31 H new ATOM 0 HE1 HIS A 86 12.482 -4.556 7.836 1.00 14.54 H new ATOM 0 HE2 HIS A 86 10.767 -6.409 7.593 1.00 62.44 H new ATOM 1397 N ASP A 87 11.243 -1.615 2.176 1.00 13.43 N ATOM 1398 CA ASP A 87 11.577 -0.200 2.473 1.00 43.15 C ATOM 1399 C ASP A 87 10.320 0.594 2.949 1.00 21.14 C ATOM 1400 O ASP A 87 10.449 1.693 3.489 1.00 1.14 O ATOM 1401 CB ASP A 87 12.311 0.472 1.258 1.00 34.21 C ATOM 1402 CG ASP A 87 12.819 1.892 1.577 1.00 61.20 C ATOM 1403 OD1 ASP A 87 12.194 2.874 1.150 1.00 75.21 O ATOM 1404 OD2 ASP A 87 13.862 2.028 2.256 1.00 3.51 O ATOM 0 H ASP A 87 11.141 -1.814 1.181 1.00 13.43 H new ATOM 0 HA ASP A 87 12.279 -0.179 3.307 1.00 43.15 H new ATOM 0 HB2 ASP A 87 13.154 -0.151 0.959 1.00 34.21 H new ATOM 0 HB3 ASP A 87 11.630 0.517 0.408 1.00 34.21 H new ATOM 1409 N LEU A 88 9.105 -0.001 2.792 1.00 11.12 N ATOM 1410 CA LEU A 88 7.850 0.514 3.392 1.00 74.03 C ATOM 1411 C LEU A 88 7.209 -0.616 4.216 1.00 65.21 C ATOM 1412 O LEU A 88 5.980 -0.779 4.237 1.00 64.34 O ATOM 1413 CB LEU A 88 6.835 1.113 2.352 1.00 73.12 C ATOM 1414 CG LEU A 88 6.628 0.345 0.990 1.00 52.53 C ATOM 1415 CD1 LEU A 88 5.181 0.490 0.469 1.00 33.22 C ATOM 1416 CD2 LEU A 88 7.631 0.854 -0.073 1.00 42.30 C ATOM 0 H LEU A 88 8.973 -0.852 2.245 1.00 11.12 H new ATOM 0 HA LEU A 88 8.111 1.358 4.031 1.00 74.03 H new ATOM 0 HB2 LEU A 88 5.864 1.192 2.841 1.00 73.12 H new ATOM 0 HB3 LEU A 88 7.158 2.127 2.117 1.00 73.12 H new ATOM 0 HG LEU A 88 6.811 -0.713 1.177 1.00 52.53 H new ATOM 0 HD11 LEU A 88 5.077 -0.052 -0.471 1.00 33.22 H new ATOM 0 HD12 LEU A 88 4.487 0.081 1.203 1.00 33.22 H new ATOM 0 HD13 LEU A 88 4.957 1.544 0.306 1.00 33.22 H new ATOM 0 HD21 LEU A 88 7.476 0.315 -1.007 1.00 42.30 H new ATOM 0 HD22 LEU A 88 7.475 1.920 -0.239 1.00 42.30 H new ATOM 0 HD23 LEU A 88 8.649 0.686 0.278 1.00 42.30 H new ATOM 1428 N SER A 89 8.068 -1.380 4.919 1.00 75.23 N ATOM 1429 CA SER A 89 7.632 -2.445 5.843 1.00 43.44 C ATOM 1430 C SER A 89 6.734 -1.885 6.961 1.00 31.33 C ATOM 1431 O SER A 89 5.842 -2.576 7.463 1.00 30.35 O ATOM 1432 CB SER A 89 8.860 -3.152 6.441 1.00 40.41 C ATOM 1433 OG SER A 89 9.743 -2.246 7.090 1.00 61.44 O ATOM 0 H SER A 89 9.081 -1.276 4.862 1.00 75.23 H new ATOM 0 HA SER A 89 7.043 -3.167 5.278 1.00 43.44 H new ATOM 0 HB2 SER A 89 8.530 -3.907 7.154 1.00 40.41 H new ATOM 0 HB3 SER A 89 9.397 -3.674 5.649 1.00 40.41 H new ATOM 0 HG SER A 89 10.455 -1.983 6.470 1.00 61.44 H new ATOM 1439 N GLU A 90 6.979 -0.604 7.302 1.00 11.45 N ATOM 1440 CA GLU A 90 6.238 0.130 8.341 1.00 24.10 C ATOM 1441 C GLU A 90 4.825 0.526 7.854 1.00 1.12 C ATOM 1442 O GLU A 90 3.955 0.797 8.666 1.00 12.23 O ATOM 1443 CB GLU A 90 7.055 1.383 8.793 1.00 23.42 C ATOM 1444 CG GLU A 90 8.373 1.086 9.577 1.00 42.31 C ATOM 1445 CD GLU A 90 9.232 2.344 9.792 1.00 24.33 C ATOM 1446 OE1 GLU A 90 10.042 2.676 8.902 1.00 62.34 O ATOM 1447 OE2 GLU A 90 9.097 3.011 10.835 1.00 13.22 O ATOM 0 H GLU A 90 7.707 -0.045 6.856 1.00 11.45 H new ATOM 0 HA GLU A 90 6.106 -0.527 9.200 1.00 24.10 H new ATOM 0 HB2 GLU A 90 7.304 1.970 7.909 1.00 23.42 H new ATOM 0 HB3 GLU A 90 6.415 2.005 9.418 1.00 23.42 H new ATOM 0 HG2 GLU A 90 8.125 0.651 10.545 1.00 42.31 H new ATOM 0 HG3 GLU A 90 8.955 0.342 9.033 1.00 42.31 H new ATOM 1454 N LEU A 91 4.603 0.536 6.525 1.00 62.31 N ATOM 1455 CA LEU A 91 3.267 0.808 5.930 1.00 65.54 C ATOM 1456 C LEU A 91 2.391 -0.457 6.111 1.00 1.35 C ATOM 1457 O LEU A 91 1.220 -0.388 6.542 1.00 20.13 O ATOM 1458 CB LEU A 91 3.440 1.202 4.419 1.00 21.13 C ATOM 1459 CG LEU A 91 2.349 2.130 3.776 1.00 12.34 C ATOM 1460 CD1 LEU A 91 2.782 2.588 2.370 1.00 32.21 C ATOM 1461 CD2 LEU A 91 0.958 1.461 3.715 1.00 34.40 C ATOM 0 H LEU A 91 5.332 0.358 5.834 1.00 62.31 H new ATOM 0 HA LEU A 91 2.773 1.643 6.426 1.00 65.54 H new ATOM 0 HB2 LEU A 91 4.406 1.695 4.310 1.00 21.13 H new ATOM 0 HB3 LEU A 91 3.484 0.282 3.836 1.00 21.13 H new ATOM 0 HG LEU A 91 2.259 3.001 4.426 1.00 12.34 H new ATOM 0 HD11 LEU A 91 2.011 3.230 1.943 1.00 32.21 H new ATOM 0 HD12 LEU A 91 3.718 3.142 2.440 1.00 32.21 H new ATOM 0 HD13 LEU A 91 2.923 1.716 1.731 1.00 32.21 H new ATOM 0 HD21 LEU A 91 0.243 2.148 3.261 1.00 34.40 H new ATOM 0 HD22 LEU A 91 1.017 0.552 3.117 1.00 34.40 H new ATOM 0 HD23 LEU A 91 0.630 1.210 4.724 1.00 34.40 H new ATOM 1473 N TYR A 92 3.008 -1.619 5.827 1.00 64.23 N ATOM 1474 CA TYR A 92 2.371 -2.934 5.977 1.00 63.32 C ATOM 1475 C TYR A 92 2.086 -3.215 7.479 1.00 13.15 C ATOM 1476 O TYR A 92 1.068 -3.818 7.841 1.00 53.21 O ATOM 1477 CB TYR A 92 3.289 -4.012 5.347 1.00 1.10 C ATOM 1478 CG TYR A 92 2.765 -5.454 5.401 1.00 45.21 C ATOM 1479 CD1 TYR A 92 1.533 -5.812 4.840 1.00 24.13 C ATOM 1480 CD2 TYR A 92 3.523 -6.472 5.984 1.00 43.50 C ATOM 1481 CE1 TYR A 92 1.092 -7.123 4.867 1.00 11.43 C ATOM 1482 CE2 TYR A 92 3.084 -7.772 6.015 1.00 5.25 C ATOM 1483 CZ TYR A 92 1.872 -8.096 5.458 1.00 63.51 C ATOM 1484 OH TYR A 92 1.445 -9.402 5.480 1.00 24.13 O ATOM 0 H TYR A 92 3.968 -1.669 5.485 1.00 64.23 H new ATOM 0 HA TYR A 92 1.413 -2.955 5.457 1.00 63.32 H new ATOM 0 HB2 TYR A 92 3.464 -3.748 4.304 1.00 1.10 H new ATOM 0 HB3 TYR A 92 4.255 -3.978 5.850 1.00 1.10 H new ATOM 0 HD1 TYR A 92 0.918 -5.053 4.379 1.00 24.13 H new ATOM 0 HD2 TYR A 92 4.480 -6.230 6.422 1.00 43.50 H new ATOM 0 HE1 TYR A 92 0.141 -7.384 4.427 1.00 11.43 H new ATOM 0 HE2 TYR A 92 3.690 -8.538 6.476 1.00 5.25 H new ATOM 0 HH TYR A 92 2.114 -9.957 5.933 1.00 24.13 H new ATOM 1494 N LYS A 93 3.005 -2.712 8.333 1.00 13.41 N ATOM 1495 CA LYS A 93 2.891 -2.729 9.804 1.00 73.20 C ATOM 1496 C LYS A 93 1.749 -1.804 10.269 1.00 65.45 C ATOM 1497 O LYS A 93 0.980 -2.163 11.155 1.00 72.50 O ATOM 1498 CB LYS A 93 4.263 -2.283 10.408 1.00 3.11 C ATOM 1499 CG LYS A 93 4.342 -2.218 11.950 1.00 13.12 C ATOM 1500 CD LYS A 93 4.089 -3.583 12.622 1.00 4.44 C ATOM 1501 CE LYS A 93 4.228 -3.527 14.155 1.00 12.15 C ATOM 1502 NZ LYS A 93 3.820 -4.815 14.788 1.00 53.21 N ATOM 0 H LYS A 93 3.866 -2.273 8.008 1.00 13.41 H new ATOM 0 HA LYS A 93 2.652 -3.734 10.151 1.00 73.20 H new ATOM 0 HB2 LYS A 93 5.032 -2.970 10.054 1.00 3.11 H new ATOM 0 HB3 LYS A 93 4.508 -1.298 10.011 1.00 3.11 H new ATOM 0 HG2 LYS A 93 5.326 -1.851 12.243 1.00 13.12 H new ATOM 0 HG3 LYS A 93 3.611 -1.497 12.316 1.00 13.12 H new ATOM 0 HD2 LYS A 93 3.088 -3.930 12.365 1.00 4.44 H new ATOM 0 HD3 LYS A 93 4.792 -4.315 12.224 1.00 4.44 H new ATOM 0 HE2 LYS A 93 5.261 -3.301 14.420 1.00 12.15 H new ATOM 0 HE3 LYS A 93 3.614 -2.717 14.548 1.00 12.15 H new ATOM 0 HZ1 LYS A 93 3.926 -4.743 15.820 1.00 53.21 H new ATOM 0 HZ2 LYS A 93 2.827 -5.017 14.555 1.00 53.21 H new ATOM 0 HZ3 LYS A 93 4.423 -5.584 14.431 1.00 53.21 H new ATOM 1516 N PHE A 94 1.642 -0.639 9.615 1.00 43.32 N ATOM 1517 CA PHE A 94 0.660 0.414 9.943 1.00 12.43 C ATOM 1518 C PHE A 94 -0.789 -0.081 9.794 1.00 1.31 C ATOM 1519 O PHE A 94 -1.624 0.154 10.684 1.00 4.51 O ATOM 1520 CB PHE A 94 0.922 1.645 9.033 1.00 52.45 C ATOM 1521 CG PHE A 94 -0.085 2.787 9.134 1.00 10.05 C ATOM 1522 CD1 PHE A 94 -0.152 3.591 10.271 1.00 45.22 C ATOM 1523 CD2 PHE A 94 -0.949 3.075 8.071 1.00 53.12 C ATOM 1524 CE1 PHE A 94 -1.052 4.630 10.343 1.00 61.32 C ATOM 1525 CE2 PHE A 94 -1.846 4.118 8.151 1.00 40.03 C ATOM 1526 CZ PHE A 94 -1.896 4.897 9.285 1.00 22.00 C ATOM 0 H PHE A 94 2.244 -0.394 8.829 1.00 43.32 H new ATOM 0 HA PHE A 94 0.785 0.694 10.989 1.00 12.43 H new ATOM 0 HB2 PHE A 94 1.911 2.039 9.267 1.00 52.45 H new ATOM 0 HB3 PHE A 94 0.951 1.305 7.998 1.00 52.45 H new ATOM 0 HD1 PHE A 94 0.508 3.397 11.103 1.00 45.22 H new ATOM 0 HD2 PHE A 94 -0.912 2.472 7.176 1.00 53.12 H new ATOM 0 HE1 PHE A 94 -1.098 5.240 11.233 1.00 61.32 H new ATOM 0 HE2 PHE A 94 -2.510 4.324 7.324 1.00 40.03 H new ATOM 0 HZ PHE A 94 -2.596 5.717 9.346 1.00 22.00 H new ATOM 1536 N ILE A 95 -1.077 -0.800 8.686 1.00 64.40 N ATOM 1537 CA ILE A 95 -2.451 -1.306 8.418 1.00 52.23 C ATOM 1538 C ILE A 95 -2.805 -2.508 9.339 1.00 42.54 C ATOM 1539 O ILE A 95 -3.940 -3.000 9.297 1.00 41.11 O ATOM 1540 CB ILE A 95 -2.707 -1.640 6.887 1.00 61.24 C ATOM 1541 CG1 ILE A 95 -2.136 -3.046 6.487 1.00 53.14 C ATOM 1542 CG2 ILE A 95 -2.184 -0.490 5.972 1.00 13.23 C ATOM 1543 CD1 ILE A 95 -2.122 -3.350 5.000 1.00 42.30 C ATOM 0 H ILE A 95 -0.392 -1.042 7.970 1.00 64.40 H new ATOM 0 HA ILE A 95 -3.130 -0.489 8.662 1.00 52.23 H new ATOM 0 HB ILE A 95 -3.784 -1.705 6.733 1.00 61.24 H new ATOM 0 HG12 ILE A 95 -1.117 -3.125 6.865 1.00 53.14 H new ATOM 0 HG13 ILE A 95 -2.724 -3.813 6.991 1.00 53.14 H new ATOM 0 HG21 ILE A 95 -2.371 -0.742 4.928 1.00 13.23 H new ATOM 0 HG22 ILE A 95 -2.702 0.436 6.220 1.00 13.23 H new ATOM 0 HG23 ILE A 95 -1.113 -0.360 6.128 1.00 13.23 H new ATOM 0 HD11 ILE A 95 -1.709 -4.345 4.836 1.00 42.30 H new ATOM 0 HD12 ILE A 95 -3.140 -3.311 4.611 1.00 42.30 H new ATOM 0 HD13 ILE A 95 -1.508 -2.612 4.484 1.00 42.30 H new ATOM 1555 N THR A 96 -1.832 -2.970 10.176 1.00 13.24 N ATOM 1556 CA THR A 96 -2.060 -4.032 11.188 1.00 70.41 C ATOM 1557 C THR A 96 -1.936 -3.464 12.618 1.00 65.22 C ATOM 1558 O THR A 96 -2.055 -4.219 13.586 1.00 34.11 O ATOM 1559 CB THR A 96 -1.070 -5.249 11.031 1.00 3.03 C ATOM 1560 OG1 THR A 96 0.279 -4.782 10.916 1.00 51.33 O ATOM 1561 CG2 THR A 96 -1.403 -6.130 9.824 1.00 73.44 C ATOM 0 H THR A 96 -0.875 -2.616 10.165 1.00 13.24 H new ATOM 0 HA THR A 96 -3.073 -4.398 11.018 1.00 70.41 H new ATOM 0 HB THR A 96 -1.183 -5.858 11.928 1.00 3.03 H new ATOM 0 HG1 THR A 96 0.316 -3.830 11.144 1.00 51.33 H new ATOM 0 HG21 THR A 96 -0.689 -6.952 9.765 1.00 73.44 H new ATOM 0 HG22 THR A 96 -2.410 -6.532 9.934 1.00 73.44 H new ATOM 0 HG23 THR A 96 -1.347 -5.535 8.913 1.00 73.44 H new