USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 576 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 27:sc= 0.48 USER MOD Single : A 41 GLN : amide:sc= -1.37 K(o=-1.4,f=-8.7!) USER MOD Single : A 47 HIS : no HD1:sc= -0.42 X(o=-0.42,f=0.049) USER MOD Single : A 61 SER OG : rot 37:sc= -0.365 USER MOD Single : A 68 SER OG : rot -150:sc= -0.0612 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.039) USER MOD Single : A 80 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.23) USER MOD Single : A 84 ASN : amide:sc= -0.102 K(o=-0.1,f=-1.1) USER MOD Single : A 86 CYS SG : rot 100:sc= -0.325 USER MOD Single : A 93 HIS : no HD1:sc= -0.192 X(o=-0.19,f=0.034) USER MOD Single : A 95 HIS : no HD1:sc= -0.176 X(o=-0.18,f=0.038) USER MOD Single : A 99 GLN : amide:sc= -3.3 K(o=-3.3,f=-7.2!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -130:sc= -0.0197 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 106 GLN : amide:sc= -0.0664 K(o=-0.066,f=-1.3!) USER MOD Single : A 108 THR OG1 : rot 73:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 427 N SER A 31 -9.845 7.796 -3.938 1.00 0.00 N ATOM 428 CA SER A 31 -11.120 7.344 -3.392 1.00 0.00 C ATOM 429 C SER A 31 -10.942 6.060 -2.586 1.00 0.00 C ATOM 430 O SER A 31 -9.921 5.381 -2.700 1.00 0.00 O ATOM 431 CB SER A 31 -12.129 7.118 -4.519 1.00 0.00 C ATOM 432 OG SER A 31 -11.946 8.056 -5.564 1.00 0.00 O ATOM 0 HA SER A 31 -11.498 8.120 -2.726 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.020 6.107 -4.911 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.142 7.200 -4.126 1.00 0.00 H new ATOM 0 HG SER A 31 -11.013 8.357 -5.574 1.00 0.00 H new ATOM 438 N ALA A 32 -11.941 5.735 -1.774 1.00 0.00 N ATOM 439 CA ALA A 32 -11.896 4.534 -0.950 1.00 0.00 C ATOM 440 C ALA A 32 -11.833 3.278 -1.812 1.00 0.00 C ATOM 441 O ALA A 32 -10.983 2.412 -1.605 1.00 0.00 O ATOM 442 CB ALA A 32 -13.103 4.482 -0.027 1.00 0.00 C ATOM 0 H ALA A 32 -12.792 6.287 -1.669 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.990 4.573 -0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.056 3.580 0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.103 5.358 0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.016 4.471 -0.622 1.00 0.00 H new ATOM 448 N ASP A 33 -12.738 3.186 -2.782 1.00 0.00 N ATOM 449 CA ASP A 33 -12.785 2.035 -3.676 1.00 0.00 C ATOM 450 C ASP A 33 -11.475 1.886 -4.443 1.00 0.00 C ATOM 451 O ASP A 33 -11.065 0.777 -4.783 1.00 0.00 O ATOM 452 CB ASP A 33 -13.951 2.172 -4.657 1.00 0.00 C ATOM 453 CG ASP A 33 -14.547 0.832 -5.038 1.00 0.00 C ATOM 454 OD1 ASP A 33 -14.633 -0.051 -4.159 1.00 0.00 O ATOM 455 OD2 ASP A 33 -14.928 0.664 -6.215 1.00 0.00 O ATOM 0 H ASP A 33 -13.448 3.894 -2.968 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.932 1.142 -3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.725 2.797 -4.212 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.607 2.682 -5.557 1.00 0.00 H new ATOM 460 N TYR A 34 -10.821 3.013 -4.710 1.00 0.00 N ATOM 461 CA TYR A 34 -9.558 3.007 -5.437 1.00 0.00 C ATOM 462 C TYR A 34 -8.503 2.197 -4.690 1.00 0.00 C ATOM 463 O TYR A 34 -7.803 1.375 -5.281 1.00 0.00 O ATOM 464 CB TYR A 34 -9.062 4.439 -5.649 1.00 0.00 C ATOM 465 CG TYR A 34 -7.770 4.525 -6.430 1.00 0.00 C ATOM 466 CD1 TYR A 34 -7.599 3.809 -7.608 1.00 0.00 C ATOM 467 CD2 TYR A 34 -6.721 5.323 -5.989 1.00 0.00 C ATOM 468 CE1 TYR A 34 -6.421 3.885 -8.324 1.00 0.00 C ATOM 469 CE2 TYR A 34 -5.539 5.404 -6.701 1.00 0.00 C ATOM 470 CZ TYR A 34 -5.394 4.683 -7.867 1.00 0.00 C ATOM 471 OH TYR A 34 -4.218 4.761 -8.578 1.00 0.00 O ATOM 0 H TYR A 34 -11.145 3.940 -4.434 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.728 2.540 -6.407 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.831 5.007 -6.172 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.921 4.913 -4.678 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.401 3.182 -7.970 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.831 5.889 -5.076 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.305 3.322 -9.238 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.733 6.029 -6.346 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.599 5.367 -8.120 1.00 0.00 H new ATOM 481 N LEU A 35 -8.395 2.435 -3.387 1.00 0.00 N ATOM 482 CA LEU A 35 -7.426 1.727 -2.558 1.00 0.00 C ATOM 483 C LEU A 35 -7.882 0.297 -2.288 1.00 0.00 C ATOM 484 O LEU A 35 -7.061 -0.609 -2.139 1.00 0.00 O ATOM 485 CB LEU A 35 -7.218 2.467 -1.235 1.00 0.00 C ATOM 486 CG LEU A 35 -6.960 3.969 -1.366 1.00 0.00 C ATOM 487 CD1 LEU A 35 -7.026 4.643 -0.005 1.00 0.00 C ATOM 488 CD2 LEU A 35 -5.612 4.221 -2.023 1.00 0.00 C ATOM 0 H LEU A 35 -8.966 3.113 -2.882 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.480 1.691 -3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.099 2.318 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.376 2.014 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.737 4.399 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.840 5.711 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.014 4.491 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.271 4.211 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.444 5.295 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.823 3.778 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.602 3.772 -3.016 1.00 0.00 H new ATOM 500 N ARG A 36 -9.195 0.102 -2.224 1.00 0.00 N ATOM 501 CA ARG A 36 -9.760 -1.219 -1.972 1.00 0.00 C ATOM 502 C ARG A 36 -9.498 -2.158 -3.144 1.00 0.00 C ATOM 503 O ARG A 36 -8.896 -3.219 -2.980 1.00 0.00 O ATOM 504 CB ARG A 36 -11.265 -1.112 -1.716 1.00 0.00 C ATOM 505 CG ARG A 36 -11.899 -2.418 -1.264 1.00 0.00 C ATOM 506 CD ARG A 36 -13.350 -2.518 -1.707 1.00 0.00 C ATOM 507 NE ARG A 36 -14.277 -2.365 -0.588 1.00 0.00 N ATOM 508 CZ ARG A 36 -15.550 -2.753 -0.621 1.00 0.00 C ATOM 509 NH1 ARG A 36 -16.051 -3.314 -1.714 1.00 0.00 N ATOM 510 NH2 ARG A 36 -16.323 -2.577 0.442 1.00 0.00 N ATOM 0 H ARG A 36 -9.888 0.841 -2.343 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.275 -1.630 -1.087 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.443 -0.350 -0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.757 -0.775 -2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.335 -3.257 -1.671 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.843 -2.494 -0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.554 -1.751 -2.454 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.517 -3.483 -2.186 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.928 -1.936 0.269 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.460 -3.450 -2.534 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.027 -3.610 -1.734 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.942 -2.145 1.284 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.299 -2.874 0.418 1.00 0.00 H new ATOM 524 N GLU A 37 -9.953 -1.761 -4.328 1.00 0.00 N ATOM 525 CA GLU A 37 -9.768 -2.568 -5.529 1.00 0.00 C ATOM 526 C GLU A 37 -8.286 -2.794 -5.810 1.00 0.00 C ATOM 527 O GLU A 37 -7.884 -3.876 -6.238 1.00 0.00 O ATOM 528 CB GLU A 37 -10.429 -1.891 -6.730 1.00 0.00 C ATOM 529 CG GLU A 37 -11.934 -2.097 -6.794 1.00 0.00 C ATOM 530 CD GLU A 37 -12.329 -3.211 -7.745 1.00 0.00 C ATOM 531 OE1 GLU A 37 -12.067 -4.388 -7.423 1.00 0.00 O ATOM 532 OE2 GLU A 37 -12.900 -2.904 -8.813 1.00 0.00 O ATOM 0 H GLU A 37 -10.453 -0.885 -4.482 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.239 -3.537 -5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.218 -0.822 -6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.979 -2.275 -7.646 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.309 -2.326 -5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.411 -1.169 -7.109 1.00 0.00 H new ATOM 539 N LYS A 38 -7.479 -1.768 -5.566 1.00 0.00 N ATOM 540 CA LYS A 38 -6.041 -1.855 -5.793 1.00 0.00 C ATOM 541 C LYS A 38 -5.421 -2.955 -4.936 1.00 0.00 C ATOM 542 O LYS A 38 -4.789 -3.876 -5.454 1.00 0.00 O ATOM 543 CB LYS A 38 -5.372 -0.514 -5.485 1.00 0.00 C ATOM 544 CG LYS A 38 -3.950 -0.410 -6.010 1.00 0.00 C ATOM 545 CD LYS A 38 -3.588 1.025 -6.358 1.00 0.00 C ATOM 546 CE LYS A 38 -2.214 1.114 -7.003 1.00 0.00 C ATOM 547 NZ LYS A 38 -2.177 2.125 -8.095 1.00 0.00 N ATOM 0 H LYS A 38 -7.796 -0.866 -5.211 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.878 -2.101 -6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.970 0.289 -5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.364 -0.360 -4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.256 -0.790 -5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.840 -1.039 -6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.336 1.436 -7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.607 1.635 -5.455 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.473 1.371 -6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.937 0.138 -7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.223 2.155 -8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.865 1.867 -8.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.417 3.061 -7.710 1.00 0.00 H new ATOM 561 N LEU A 39 -5.605 -2.850 -3.624 1.00 0.00 N ATOM 562 CA LEU A 39 -5.062 -3.836 -2.696 1.00 0.00 C ATOM 563 C LEU A 39 -5.712 -5.200 -2.909 1.00 0.00 C ATOM 564 O LEU A 39 -5.028 -6.221 -2.976 1.00 0.00 O ATOM 565 CB LEU A 39 -5.275 -3.378 -1.252 1.00 0.00 C ATOM 566 CG LEU A 39 -4.579 -2.067 -0.880 1.00 0.00 C ATOM 567 CD1 LEU A 39 -4.993 -1.622 0.514 1.00 0.00 C ATOM 568 CD2 LEU A 39 -3.069 -2.224 -0.966 1.00 0.00 C ATOM 0 H LEU A 39 -6.125 -2.093 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.993 -3.929 -2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.345 -3.266 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.922 -4.162 -0.582 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.885 -1.299 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.489 -0.688 0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.072 -1.470 0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.715 -2.388 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.589 -1.282 -0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.745 -3.005 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.789 -2.497 -1.983 1.00 0.00 H new ATOM 580 N ARG A 40 -7.037 -5.208 -3.016 1.00 0.00 N ATOM 581 CA ARG A 40 -7.781 -6.446 -3.221 1.00 0.00 C ATOM 582 C ARG A 40 -7.343 -7.141 -4.496 1.00 0.00 C ATOM 583 O ARG A 40 -7.126 -8.353 -4.512 1.00 0.00 O ATOM 584 CB ARG A 40 -9.284 -6.163 -3.268 1.00 0.00 C ATOM 585 CG ARG A 40 -10.138 -7.421 -3.308 1.00 0.00 C ATOM 586 CD ARG A 40 -10.669 -7.690 -4.707 1.00 0.00 C ATOM 587 NE ARG A 40 -9.810 -8.610 -5.451 1.00 0.00 N ATOM 588 CZ ARG A 40 -10.059 -9.017 -6.693 1.00 0.00 C ATOM 589 NH1 ARG A 40 -11.141 -8.591 -7.334 1.00 0.00 N ATOM 590 NH2 ARG A 40 -9.226 -9.852 -7.297 1.00 0.00 N ATOM 0 H ARG A 40 -7.618 -4.371 -2.964 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.570 -7.108 -2.381 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.562 -5.573 -2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.504 -5.556 -4.146 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.548 -8.273 -2.972 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.973 -7.318 -2.615 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.674 -8.107 -4.639 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.750 -6.749 -5.251 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.970 -8.961 -4.991 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.786 -7.948 -6.874 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.327 -8.906 -8.286 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.393 -10.183 -6.810 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.418 -10.164 -8.249 1.00 0.00 H new ATOM 604 N GLN A 41 -7.215 -6.374 -5.564 1.00 0.00 N ATOM 605 CA GLN A 41 -6.803 -6.932 -6.840 1.00 0.00 C ATOM 606 C GLN A 41 -5.309 -7.239 -6.847 1.00 0.00 C ATOM 607 O GLN A 41 -4.891 -8.325 -7.245 1.00 0.00 O ATOM 608 CB GLN A 41 -7.153 -5.977 -7.982 1.00 0.00 C ATOM 609 CG GLN A 41 -8.648 -5.784 -8.178 1.00 0.00 C ATOM 610 CD GLN A 41 -9.177 -6.520 -9.393 1.00 0.00 C ATOM 611 OE1 GLN A 41 -9.723 -7.618 -9.278 1.00 0.00 O ATOM 612 NE2 GLN A 41 -9.018 -5.919 -10.566 1.00 0.00 N ATOM 0 H GLN A 41 -7.389 -5.369 -5.574 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.344 -7.867 -6.987 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.692 -5.008 -7.788 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.720 -6.357 -8.907 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.175 -6.132 -7.289 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.863 -4.720 -8.280 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.560 -5.009 -10.615 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.354 -6.367 -11.418 1.00 0.00 H new ATOM 621 N ASP A 42 -4.510 -6.274 -6.404 1.00 0.00 N ATOM 622 CA ASP A 42 -3.061 -6.442 -6.360 1.00 0.00 C ATOM 623 C ASP A 42 -2.676 -7.623 -5.475 1.00 0.00 C ATOM 624 O ASP A 42 -2.051 -8.578 -5.934 1.00 0.00 O ATOM 625 CB ASP A 42 -2.393 -5.165 -5.845 1.00 0.00 C ATOM 626 CG ASP A 42 -0.889 -5.184 -6.032 1.00 0.00 C ATOM 627 OD1 ASP A 42 -0.436 -5.317 -7.189 1.00 0.00 O ATOM 628 OD2 ASP A 42 -0.165 -5.065 -5.022 1.00 0.00 O ATOM 0 H ASP A 42 -4.840 -5.368 -6.071 1.00 0.00 H new ATOM 0 HA ASP A 42 -2.714 -6.642 -7.374 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.810 -4.304 -6.367 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.623 -5.039 -4.787 1.00 0.00 H new ATOM 633 N LEU A 43 -3.057 -7.551 -4.204 1.00 0.00 N ATOM 634 CA LEU A 43 -2.752 -8.614 -3.254 1.00 0.00 C ATOM 635 C LEU A 43 -3.579 -9.864 -3.545 1.00 0.00 C ATOM 636 O LEU A 43 -3.193 -10.974 -3.177 1.00 0.00 O ATOM 637 CB LEU A 43 -3.014 -8.138 -1.823 1.00 0.00 C ATOM 638 CG LEU A 43 -2.129 -6.984 -1.352 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.795 -6.230 -0.213 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.763 -7.501 -0.924 1.00 0.00 C ATOM 0 H LEU A 43 -3.577 -6.768 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.697 -8.867 -3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.057 -7.831 -1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.877 -8.981 -1.145 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.991 -6.294 -2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.150 -5.412 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.749 -5.827 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.964 -6.909 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.146 -6.666 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.883 -8.212 -0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.281 -7.996 -1.767 1.00 0.00 H new ATOM 652 N GLU A 44 -4.717 -9.678 -4.209 1.00 0.00 N ATOM 653 CA GLU A 44 -5.596 -10.792 -4.547 1.00 0.00 C ATOM 654 C GLU A 44 -6.127 -11.467 -3.288 1.00 0.00 C ATOM 655 O GLU A 44 -5.596 -12.486 -2.846 1.00 0.00 O ATOM 656 CB GLU A 44 -4.853 -11.812 -5.414 1.00 0.00 C ATOM 657 CG GLU A 44 -5.017 -11.575 -6.907 1.00 0.00 C ATOM 658 CD GLU A 44 -4.714 -12.811 -7.730 1.00 0.00 C ATOM 659 OE1 GLU A 44 -3.547 -13.256 -7.723 1.00 0.00 O ATOM 660 OE2 GLU A 44 -5.643 -13.332 -8.382 1.00 0.00 O ATOM 0 H GLU A 44 -5.051 -8.767 -4.523 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.442 -10.397 -5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.792 -11.785 -5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.212 -12.812 -5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.037 -11.249 -7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.356 -10.765 -7.217 1.00 0.00 H new ATOM 667 N ALA A 45 -7.178 -10.892 -2.713 1.00 0.00 N ATOM 668 CA ALA A 45 -7.783 -11.437 -1.504 1.00 0.00 C ATOM 669 C ALA A 45 -9.192 -11.951 -1.779 1.00 0.00 C ATOM 670 O ALA A 45 -9.707 -11.817 -2.889 1.00 0.00 O ATOM 671 CB ALA A 45 -7.808 -10.383 -0.407 1.00 0.00 C ATOM 0 H ALA A 45 -7.629 -10.048 -3.066 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.177 -12.279 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.262 -10.803 0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.789 -10.066 -0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.390 -9.524 -0.741 1.00 0.00 H new ATOM 677 N GLU A 46 -9.812 -12.539 -0.760 1.00 0.00 N ATOM 678 CA GLU A 46 -11.162 -13.073 -0.892 1.00 0.00 C ATOM 679 C GLU A 46 -12.203 -12.002 -0.578 1.00 0.00 C ATOM 680 O GLU A 46 -13.064 -11.700 -1.404 1.00 0.00 O ATOM 681 CB GLU A 46 -11.351 -14.273 0.038 1.00 0.00 C ATOM 682 CG GLU A 46 -12.216 -15.372 -0.557 1.00 0.00 C ATOM 683 CD GLU A 46 -13.657 -15.296 -0.092 1.00 0.00 C ATOM 684 OE1 GLU A 46 -14.251 -14.201 -0.175 1.00 0.00 O ATOM 685 OE2 GLU A 46 -14.192 -16.333 0.356 1.00 0.00 O ATOM 0 H GLU A 46 -9.400 -12.657 0.166 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.299 -13.397 -1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.374 -14.686 0.288 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.801 -13.932 0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.185 -15.305 -1.644 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.801 -16.343 -0.286 1.00 0.00 H new ATOM 692 N HIS A 47 -12.116 -11.433 0.619 1.00 0.00 N ATOM 693 CA HIS A 47 -13.049 -10.396 1.042 1.00 0.00 C ATOM 694 C HIS A 47 -12.302 -9.170 1.559 1.00 0.00 C ATOM 695 O HIS A 47 -11.304 -9.292 2.268 1.00 0.00 O ATOM 696 CB HIS A 47 -13.986 -10.935 2.126 1.00 0.00 C ATOM 697 CG HIS A 47 -15.372 -11.217 1.632 1.00 0.00 C ATOM 698 ND1 HIS A 47 -16.293 -10.225 1.365 1.00 0.00 N ATOM 699 CD2 HIS A 47 -15.992 -12.388 1.355 1.00 0.00 C ATOM 700 CE1 HIS A 47 -17.419 -10.774 0.947 1.00 0.00 C ATOM 701 NE2 HIS A 47 -17.263 -12.085 0.931 1.00 0.00 N ATOM 0 H HIS A 47 -11.409 -11.673 1.314 1.00 0.00 H new ATOM 0 HA HIS A 47 -13.641 -10.099 0.176 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.563 -11.851 2.539 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -14.039 -10.213 2.941 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.567 -13.376 1.450 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -18.315 -10.241 0.666 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -17.971 -12.763 0.649 1.00 0.00 H new ATOM 710 N VAL A 48 -12.792 -7.989 1.197 1.00 0.00 N ATOM 711 CA VAL A 48 -12.171 -6.742 1.623 1.00 0.00 C ATOM 712 C VAL A 48 -13.222 -5.697 1.981 1.00 0.00 C ATOM 713 O VAL A 48 -14.333 -5.712 1.448 1.00 0.00 O ATOM 714 CB VAL A 48 -11.249 -6.170 0.528 1.00 0.00 C ATOM 715 CG1 VAL A 48 -10.066 -7.096 0.288 1.00 0.00 C ATOM 716 CG2 VAL A 48 -12.027 -5.942 -0.759 1.00 0.00 C ATOM 0 H VAL A 48 -13.617 -7.870 0.610 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.576 -6.973 2.506 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.864 -5.209 0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.426 -6.676 -0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.495 -7.203 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.428 -8.074 -0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.360 -5.538 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.443 -6.888 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.837 -5.236 -0.574 1.00 0.00 H new ATOM 726 N GLU A 49 -12.866 -4.791 2.884 1.00 0.00 N ATOM 727 CA GLU A 49 -13.779 -3.738 3.314 1.00 0.00 C ATOM 728 C GLU A 49 -13.042 -2.412 3.472 1.00 0.00 C ATOM 729 O GLU A 49 -12.077 -2.312 4.230 1.00 0.00 O ATOM 730 CB GLU A 49 -14.451 -4.123 4.633 1.00 0.00 C ATOM 731 CG GLU A 49 -15.746 -4.895 4.454 1.00 0.00 C ATOM 732 CD GLU A 49 -16.546 -4.999 5.738 1.00 0.00 C ATOM 733 OE1 GLU A 49 -16.313 -4.178 6.650 1.00 0.00 O ATOM 734 OE2 GLU A 49 -17.404 -5.901 5.831 1.00 0.00 O ATOM 0 H GLU A 49 -11.951 -4.764 3.333 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.544 -3.619 2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.758 -4.724 5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.654 -3.218 5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.353 -4.407 3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.520 -5.897 4.089 1.00 0.00 H new ATOM 741 N VAL A 50 -13.503 -1.394 2.752 1.00 0.00 N ATOM 742 CA VAL A 50 -12.889 -0.074 2.812 1.00 0.00 C ATOM 743 C VAL A 50 -13.854 0.957 3.387 1.00 0.00 C ATOM 744 O VAL A 50 -15.072 0.774 3.345 1.00 0.00 O ATOM 745 CB VAL A 50 -12.419 0.391 1.419 1.00 0.00 C ATOM 746 CG1 VAL A 50 -13.599 0.513 0.466 1.00 0.00 C ATOM 747 CG2 VAL A 50 -11.666 1.710 1.521 1.00 0.00 C ATOM 0 H VAL A 50 -14.301 -1.459 2.120 1.00 0.00 H new ATOM 0 HA VAL A 50 -12.023 -0.157 3.468 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.738 -0.360 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.245 0.842 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.088 -0.456 0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.310 1.240 0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.342 2.022 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.321 2.471 1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.795 1.583 2.163 1.00 0.00 H new ATOM 757 N GLU A 51 -13.305 2.041 3.924 1.00 0.00 N ATOM 758 CA GLU A 51 -14.117 3.103 4.507 1.00 0.00 C ATOM 759 C GLU A 51 -13.422 4.453 4.374 1.00 0.00 C ATOM 760 O GLU A 51 -12.204 4.525 4.213 1.00 0.00 O ATOM 761 CB GLU A 51 -14.403 2.806 5.980 1.00 0.00 C ATOM 762 CG GLU A 51 -15.431 3.738 6.599 1.00 0.00 C ATOM 763 CD GLU A 51 -16.800 3.602 5.962 1.00 0.00 C ATOM 764 OE1 GLU A 51 -17.582 2.740 6.415 1.00 0.00 O ATOM 765 OE2 GLU A 51 -17.090 4.358 5.011 1.00 0.00 O ATOM 0 H GLU A 51 -12.300 2.208 3.968 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.061 3.145 3.963 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.754 1.778 6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.473 2.878 6.544 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.509 3.530 7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.089 4.768 6.499 1.00 0.00 H new ATOM 772 N ASP A 52 -14.207 5.522 4.440 1.00 0.00 N ATOM 773 CA ASP A 52 -13.672 6.872 4.324 1.00 0.00 C ATOM 774 C ASP A 52 -14.519 7.862 5.118 1.00 0.00 C ATOM 775 O ASP A 52 -15.749 7.792 5.106 1.00 0.00 O ATOM 776 CB ASP A 52 -13.615 7.286 2.851 1.00 0.00 C ATOM 777 CG ASP A 52 -13.141 8.716 2.663 1.00 0.00 C ATOM 778 OD1 ASP A 52 -12.561 9.279 3.616 1.00 0.00 O ATOM 779 OD2 ASP A 52 -13.350 9.270 1.564 1.00 0.00 O ATOM 0 H ASP A 52 -15.217 5.479 4.573 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.663 6.881 4.737 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.947 6.612 2.314 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.604 7.174 2.408 1.00 0.00 H new ATOM 904 N SER A 61 -9.479 9.994 7.455 1.00 0.00 N ATOM 905 CA SER A 61 -8.865 8.713 7.788 1.00 0.00 C ATOM 906 C SER A 61 -9.500 7.582 6.986 1.00 0.00 C ATOM 907 O SER A 61 -10.723 7.437 6.957 1.00 0.00 O ATOM 908 CB SER A 61 -9.001 8.430 9.284 1.00 0.00 C ATOM 909 OG SER A 61 -8.648 9.568 10.052 1.00 0.00 O ATOM 0 HA SER A 61 -7.807 8.769 7.532 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.027 8.138 9.510 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.363 7.590 9.558 1.00 0.00 H new ATOM 0 HG SER A 61 -8.951 10.379 9.593 1.00 0.00 H new ATOM 915 N PHE A 62 -8.662 6.781 6.336 1.00 0.00 N ATOM 916 CA PHE A 62 -9.142 5.662 5.533 1.00 0.00 C ATOM 917 C PHE A 62 -8.850 4.332 6.222 1.00 0.00 C ATOM 918 O PHE A 62 -7.788 4.152 6.818 1.00 0.00 O ATOM 919 CB PHE A 62 -8.493 5.684 4.148 1.00 0.00 C ATOM 920 CG PHE A 62 -8.970 6.813 3.279 1.00 0.00 C ATOM 921 CD1 PHE A 62 -8.352 8.052 3.329 1.00 0.00 C ATOM 922 CD2 PHE A 62 -10.036 6.635 2.413 1.00 0.00 C ATOM 923 CE1 PHE A 62 -8.789 9.092 2.531 1.00 0.00 C ATOM 924 CE2 PHE A 62 -10.478 7.671 1.612 1.00 0.00 C ATOM 925 CZ PHE A 62 -9.853 8.902 1.671 1.00 0.00 C ATOM 0 H PHE A 62 -7.647 6.886 6.350 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.222 5.765 5.423 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.412 5.757 4.264 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.696 4.738 3.645 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.519 8.207 3.999 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -10.528 5.675 2.363 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.299 10.053 2.580 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -11.311 7.519 0.941 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.196 9.714 1.046 1.00 0.00 H new ATOM 935 N ARG A 63 -9.798 3.405 6.135 1.00 0.00 N ATOM 936 CA ARG A 63 -9.642 2.091 6.749 1.00 0.00 C ATOM 937 C ARG A 63 -9.878 0.983 5.729 1.00 0.00 C ATOM 938 O ARG A 63 -10.958 0.881 5.147 1.00 0.00 O ATOM 939 CB ARG A 63 -10.609 1.936 7.923 1.00 0.00 C ATOM 940 CG ARG A 63 -10.505 3.051 8.950 1.00 0.00 C ATOM 941 CD ARG A 63 -11.722 3.088 9.859 1.00 0.00 C ATOM 942 NE ARG A 63 -11.369 3.428 11.235 1.00 0.00 N ATOM 943 CZ ARG A 63 -11.022 4.651 11.631 1.00 0.00 C ATOM 944 NH1 ARG A 63 -10.982 5.651 10.760 1.00 0.00 N ATOM 945 NH2 ARG A 63 -10.717 4.874 12.902 1.00 0.00 N ATOM 0 H ARG A 63 -10.683 3.539 5.645 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.619 2.008 7.117 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.629 1.900 7.540 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.420 0.982 8.415 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.606 2.911 9.550 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.402 4.009 8.439 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -12.437 3.817 9.478 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.217 2.117 9.841 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.390 2.685 11.933 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.218 5.485 9.782 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.716 6.586 11.069 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.748 4.109 13.576 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.451 5.811 13.206 1.00 0.00 H new ATOM 959 N VAL A 64 -8.862 0.153 5.516 1.00 0.00 N ATOM 960 CA VAL A 64 -8.959 -0.948 4.564 1.00 0.00 C ATOM 961 C VAL A 64 -8.770 -2.292 5.258 1.00 0.00 C ATOM 962 O VAL A 64 -7.945 -2.426 6.162 1.00 0.00 O ATOM 963 CB VAL A 64 -7.917 -0.812 3.440 1.00 0.00 C ATOM 964 CG1 VAL A 64 -8.320 0.283 2.465 1.00 0.00 C ATOM 965 CG2 VAL A 64 -6.537 -0.540 4.019 1.00 0.00 C ATOM 0 H VAL A 64 -7.961 0.222 5.990 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.958 -0.904 4.130 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.876 -1.754 2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.570 0.363 1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.286 0.039 2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.393 1.233 2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.814 -0.447 3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.559 0.386 4.593 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.247 -1.364 4.671 1.00 0.00 H new ATOM 975 N LEU A 65 -9.538 -3.287 4.827 1.00 0.00 N ATOM 976 CA LEU A 65 -9.456 -4.624 5.405 1.00 0.00 C ATOM 977 C LEU A 65 -9.281 -5.677 4.316 1.00 0.00 C ATOM 978 O LEU A 65 -9.886 -5.584 3.247 1.00 0.00 O ATOM 979 CB LEU A 65 -10.711 -4.926 6.225 1.00 0.00 C ATOM 980 CG LEU A 65 -10.543 -6.009 7.292 1.00 0.00 C ATOM 981 CD1 LEU A 65 -10.344 -7.371 6.644 1.00 0.00 C ATOM 982 CD2 LEU A 65 -9.373 -5.677 8.209 1.00 0.00 C ATOM 0 H LEU A 65 -10.225 -3.193 4.079 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.586 -4.656 6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.039 -4.007 6.711 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.507 -5.228 5.544 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.452 -6.044 7.893 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.226 -8.129 7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.212 -7.612 6.030 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.451 -7.350 6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.268 -6.458 8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.457 -5.614 7.622 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.556 -4.721 8.700 1.00 0.00 H new ATOM 994 N VAL A 66 -8.450 -6.676 4.592 1.00 0.00 N ATOM 995 CA VAL A 66 -8.196 -7.745 3.635 1.00 0.00 C ATOM 996 C VAL A 66 -8.135 -9.102 4.327 1.00 0.00 C ATOM 997 O VAL A 66 -7.632 -9.219 5.446 1.00 0.00 O ATOM 998 CB VAL A 66 -6.880 -7.514 2.869 1.00 0.00 C ATOM 999 CG1 VAL A 66 -6.744 -8.508 1.726 1.00 0.00 C ATOM 1000 CG2 VAL A 66 -6.805 -6.084 2.353 1.00 0.00 C ATOM 0 H VAL A 66 -7.941 -6.767 5.471 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.026 -7.738 2.928 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.050 -7.672 3.557 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.808 -8.328 1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.747 -9.523 2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.579 -8.386 1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.868 -5.940 1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.642 -5.895 1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.851 -5.391 3.193 1.00 0.00 H new ATOM 1010 N VAL A 67 -8.649 -10.128 3.655 1.00 0.00 N ATOM 1011 CA VAL A 67 -8.652 -11.478 4.204 1.00 0.00 C ATOM 1012 C VAL A 67 -8.458 -12.517 3.104 1.00 0.00 C ATOM 1013 O VAL A 67 -9.230 -12.574 2.147 1.00 0.00 O ATOM 1014 CB VAL A 67 -9.966 -11.778 4.950 1.00 0.00 C ATOM 1015 CG1 VAL A 67 -9.885 -13.120 5.660 1.00 0.00 C ATOM 1016 CG2 VAL A 67 -10.287 -10.664 5.935 1.00 0.00 C ATOM 0 H VAL A 67 -9.069 -10.049 2.729 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.822 -11.536 4.908 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.773 -11.829 4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.823 -13.313 6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.707 -13.908 4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.067 -13.102 6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.218 -10.893 6.453 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.480 -10.577 6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.393 -9.722 5.397 1.00 0.00 H new ATOM 1026 N SER A 68 -7.421 -13.336 3.247 1.00 0.00 N ATOM 1027 CA SER A 68 -7.127 -14.372 2.263 1.00 0.00 C ATOM 1028 C SER A 68 -5.940 -15.223 2.705 1.00 0.00 C ATOM 1029 O SER A 68 -5.279 -14.917 3.698 1.00 0.00 O ATOM 1030 CB SER A 68 -6.837 -13.743 0.899 1.00 0.00 C ATOM 1031 OG SER A 68 -7.369 -14.532 -0.151 1.00 0.00 O ATOM 0 H SER A 68 -6.771 -13.303 4.033 1.00 0.00 H new ATOM 0 HA SER A 68 -8.002 -15.016 2.180 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.266 -12.742 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.761 -13.634 0.767 1.00 0.00 H new ATOM 0 HG SER A 68 -6.817 -14.423 -0.954 1.00 0.00 H new ATOM 1037 N ALA A 69 -5.679 -16.293 1.962 1.00 0.00 N ATOM 1038 CA ALA A 69 -4.573 -17.190 2.274 1.00 0.00 C ATOM 1039 C ALA A 69 -3.268 -16.703 1.647 1.00 0.00 C ATOM 1040 O ALA A 69 -2.182 -17.076 2.088 1.00 0.00 O ATOM 1041 CB ALA A 69 -4.891 -18.602 1.805 1.00 0.00 C ATOM 0 H ALA A 69 -6.219 -16.560 1.139 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.441 -17.197 3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.057 -19.261 2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.791 -18.958 2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.054 -18.599 0.727 1.00 0.00 H new ATOM 1047 N LYS A 70 -3.382 -15.870 0.616 1.00 0.00 N ATOM 1048 CA LYS A 70 -2.209 -15.336 -0.068 1.00 0.00 C ATOM 1049 C LYS A 70 -1.269 -14.644 0.916 1.00 0.00 C ATOM 1050 O LYS A 70 -0.054 -14.627 0.722 1.00 0.00 O ATOM 1051 CB LYS A 70 -2.634 -14.354 -1.161 1.00 0.00 C ATOM 1052 CG LYS A 70 -1.619 -14.217 -2.284 1.00 0.00 C ATOM 1053 CD LYS A 70 -0.768 -12.968 -2.118 1.00 0.00 C ATOM 1054 CE LYS A 70 -0.471 -12.315 -3.458 1.00 0.00 C ATOM 1055 NZ LYS A 70 0.718 -12.919 -4.121 1.00 0.00 N ATOM 0 H LYS A 70 -4.273 -15.551 0.237 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.676 -16.170 -0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.586 -14.680 -1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.802 -13.375 -0.713 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.976 -15.097 -2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.138 -14.180 -3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.284 -12.258 -1.472 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.168 -13.227 -1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.339 -12.414 -4.110 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.302 -11.248 -3.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.886 -12.445 -5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.552 -12.802 -3.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.547 -13.932 -4.284 1.00 0.00 H new ATOM 1069 N PHE A 71 -1.841 -14.077 1.973 1.00 0.00 N ATOM 1070 CA PHE A 71 -1.055 -13.385 2.989 1.00 0.00 C ATOM 1071 C PHE A 71 -0.323 -14.381 3.883 1.00 0.00 C ATOM 1072 O PHE A 71 0.764 -14.097 4.385 1.00 0.00 O ATOM 1073 CB PHE A 71 -1.956 -12.486 3.836 1.00 0.00 C ATOM 1074 CG PHE A 71 -2.094 -11.092 3.295 1.00 0.00 C ATOM 1075 CD1 PHE A 71 -0.981 -10.389 2.861 1.00 0.00 C ATOM 1076 CD2 PHE A 71 -3.338 -10.485 3.220 1.00 0.00 C ATOM 1077 CE1 PHE A 71 -1.107 -9.106 2.362 1.00 0.00 C ATOM 1078 CE2 PHE A 71 -3.468 -9.202 2.722 1.00 0.00 C ATOM 1079 CZ PHE A 71 -2.351 -8.513 2.293 1.00 0.00 C ATOM 0 H PHE A 71 -2.846 -14.083 2.149 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.313 -12.768 2.481 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.945 -12.939 3.906 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.556 -12.436 4.849 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.005 -10.848 2.913 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.215 -11.020 3.554 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.233 -8.568 2.026 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.442 -8.739 2.669 1.00 0.00 H new ATOM 0 HZ PHE A 71 -2.451 -7.511 1.904 1.00 0.00 H new ATOM 1089 N GLU A 72 -0.927 -15.548 4.079 1.00 0.00 N ATOM 1090 CA GLU A 72 -0.334 -16.585 4.913 1.00 0.00 C ATOM 1091 C GLU A 72 1.020 -17.020 4.361 1.00 0.00 C ATOM 1092 O GLU A 72 1.914 -17.404 5.115 1.00 0.00 O ATOM 1093 CB GLU A 72 -1.274 -17.789 5.005 1.00 0.00 C ATOM 1094 CG GLU A 72 -2.016 -17.883 6.327 1.00 0.00 C ATOM 1095 CD GLU A 72 -1.166 -18.480 7.431 1.00 0.00 C ATOM 1096 OE1 GLU A 72 -0.266 -17.774 7.934 1.00 0.00 O ATOM 1097 OE2 GLU A 72 -1.402 -19.650 7.795 1.00 0.00 O ATOM 0 H GLU A 72 -1.828 -15.799 3.671 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.181 -16.174 5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.000 -17.735 4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.697 -18.702 4.856 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.346 -16.888 6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.912 -18.490 6.194 1.00 0.00 H new ATOM 1104 N GLY A 73 1.164 -16.955 3.042 1.00 0.00 N ATOM 1105 CA GLY A 73 2.412 -17.343 2.412 1.00 0.00 C ATOM 1106 C GLY A 73 3.562 -16.428 2.790 1.00 0.00 C ATOM 1107 O GLY A 73 4.710 -16.865 2.872 1.00 0.00 O ATOM 0 H GLY A 73 0.438 -16.640 2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.657 -18.366 2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.287 -17.336 1.329 1.00 0.00 H new ATOM 1111 N LYS A 74 3.252 -15.156 3.018 1.00 0.00 N ATOM 1112 CA LYS A 74 4.267 -14.177 3.388 1.00 0.00 C ATOM 1113 C LYS A 74 4.152 -13.803 4.864 1.00 0.00 C ATOM 1114 O LYS A 74 3.092 -13.960 5.471 1.00 0.00 O ATOM 1115 CB LYS A 74 4.137 -12.924 2.521 1.00 0.00 C ATOM 1116 CG LYS A 74 4.631 -13.115 1.097 1.00 0.00 C ATOM 1117 CD LYS A 74 4.457 -11.850 0.272 1.00 0.00 C ATOM 1118 CE LYS A 74 4.983 -12.031 -1.143 1.00 0.00 C ATOM 1119 NZ LYS A 74 6.416 -11.646 -1.257 1.00 0.00 N ATOM 0 H LYS A 74 2.306 -14.779 2.953 1.00 0.00 H new ATOM 0 HA LYS A 74 5.246 -14.626 3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.091 -12.617 2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.697 -12.112 2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.683 -13.400 1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.085 -13.934 0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.402 -11.579 0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.982 -11.025 0.754 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.862 -13.071 -1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.390 -11.428 -1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.736 -11.784 -2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.529 -10.646 -0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.986 -12.238 -0.620 1.00 0.00 H new ATOM 1133 N PRO A 75 5.245 -13.302 5.463 1.00 0.00 N ATOM 1134 CA PRO A 75 5.262 -12.906 6.875 1.00 0.00 C ATOM 1135 C PRO A 75 4.417 -11.663 7.136 1.00 0.00 C ATOM 1136 O PRO A 75 3.655 -11.225 6.275 1.00 0.00 O ATOM 1137 CB PRO A 75 6.738 -12.615 7.148 1.00 0.00 C ATOM 1138 CG PRO A 75 7.307 -12.261 5.819 1.00 0.00 C ATOM 1139 CD PRO A 75 6.550 -13.082 4.812 1.00 0.00 C ATOM 0 HA PRO A 75 4.842 -13.678 7.519 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.855 -11.797 7.859 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.240 -13.483 7.575 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.194 -11.196 5.618 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.374 -12.482 5.780 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.442 -12.556 3.864 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.056 -14.023 4.598 1.00 0.00 H new ATOM 1147 N LEU A 76 4.558 -11.100 8.332 1.00 0.00 N ATOM 1148 CA LEU A 76 3.807 -9.907 8.708 1.00 0.00 C ATOM 1149 C LEU A 76 4.516 -8.644 8.227 1.00 0.00 C ATOM 1150 O LEU A 76 3.873 -7.642 7.912 1.00 0.00 O ATOM 1151 CB LEU A 76 3.621 -9.854 10.225 1.00 0.00 C ATOM 1152 CG LEU A 76 2.890 -8.614 10.745 1.00 0.00 C ATOM 1153 CD1 LEU A 76 2.058 -8.960 11.970 1.00 0.00 C ATOM 1154 CD2 LEU A 76 3.883 -7.508 11.068 1.00 0.00 C ATOM 0 H LEU A 76 5.185 -11.450 9.057 1.00 0.00 H new ATOM 0 HA LEU A 76 2.829 -9.958 8.230 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.070 -10.740 10.539 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.602 -9.904 10.698 1.00 0.00 H new ATOM 0 HG LEU A 76 2.218 -8.256 9.964 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.545 -8.066 12.326 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.322 -9.720 11.707 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.709 -9.342 12.756 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.347 -6.634 11.436 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.579 -7.855 11.832 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.436 -7.241 10.168 1.00 0.00 H new ATOM 1166 N LEU A 77 5.842 -8.701 8.173 1.00 0.00 N ATOM 1167 CA LEU A 77 6.638 -7.560 7.730 1.00 0.00 C ATOM 1168 C LEU A 77 6.555 -7.394 6.217 1.00 0.00 C ATOM 1169 O LEU A 77 6.588 -6.276 5.702 1.00 0.00 O ATOM 1170 CB LEU A 77 8.097 -7.733 8.157 1.00 0.00 C ATOM 1171 CG LEU A 77 8.724 -9.080 7.792 1.00 0.00 C ATOM 1172 CD1 LEU A 77 10.156 -8.893 7.313 1.00 0.00 C ATOM 1173 CD2 LEU A 77 8.677 -10.029 8.980 1.00 0.00 C ATOM 0 H LEU A 77 6.389 -9.523 8.430 1.00 0.00 H new ATOM 0 HA LEU A 77 6.234 -6.663 8.198 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.689 -6.939 7.702 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.162 -7.600 9.237 1.00 0.00 H new ATOM 0 HG LEU A 77 8.146 -9.518 6.978 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.584 -9.863 7.058 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.164 -8.250 6.433 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.747 -8.432 8.104 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.127 -10.982 8.702 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.230 -9.596 9.814 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.640 -10.190 9.276 1.00 0.00 H new ATOM 1185 N GLN A 78 6.447 -8.513 5.507 1.00 0.00 N ATOM 1186 CA GLN A 78 6.360 -8.490 4.052 1.00 0.00 C ATOM 1187 C GLN A 78 4.977 -8.035 3.597 1.00 0.00 C ATOM 1188 O GLN A 78 4.852 -7.134 2.767 1.00 0.00 O ATOM 1189 CB GLN A 78 6.668 -9.875 3.480 1.00 0.00 C ATOM 1190 CG GLN A 78 6.844 -9.884 1.970 1.00 0.00 C ATOM 1191 CD GLN A 78 8.120 -9.195 1.528 1.00 0.00 C ATOM 1192 OE1 GLN A 78 8.087 -8.247 0.741 1.00 0.00 O ATOM 1193 NE2 GLN A 78 9.253 -9.667 2.032 1.00 0.00 N ATOM 0 H GLN A 78 6.418 -9.447 5.916 1.00 0.00 H new ATOM 0 HA GLN A 78 7.097 -7.779 3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 78 7.576 -10.258 3.946 1.00 0.00 H new ATOM 0 HB3 GLN A 78 5.861 -10.557 3.748 1.00 0.00 H new ATOM 0 HG2 GLN A 78 6.850 -10.914 1.615 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.990 -9.392 1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 78 9.234 -10.454 2.681 1.00 0.00 H new ATOM 0 HE22 GLN A 78 10.143 -9.243 1.771 1.00 0.00 H new ATOM 1202 N ARG A 79 3.943 -8.663 4.145 1.00 0.00 N ATOM 1203 CA ARG A 79 2.569 -8.322 3.795 1.00 0.00 C ATOM 1204 C ARG A 79 2.268 -6.864 4.128 1.00 0.00 C ATOM 1205 O ARG A 79 1.653 -6.150 3.336 1.00 0.00 O ATOM 1206 CB ARG A 79 1.590 -9.238 4.531 1.00 0.00 C ATOM 1207 CG ARG A 79 1.664 -9.117 6.044 1.00 0.00 C ATOM 1208 CD ARG A 79 0.862 -10.210 6.731 1.00 0.00 C ATOM 1209 NE ARG A 79 0.385 -9.794 8.047 1.00 0.00 N ATOM 1210 CZ ARG A 79 -0.041 -10.640 8.983 1.00 0.00 C ATOM 1211 NH1 ARG A 79 -0.051 -11.947 8.750 1.00 0.00 N ATOM 1212 NH2 ARG A 79 -0.458 -10.179 10.153 1.00 0.00 N ATOM 0 H ARG A 79 4.030 -9.411 4.833 1.00 0.00 H new ATOM 0 HA ARG A 79 2.449 -8.463 2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.575 -9.008 4.206 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.789 -10.271 4.247 1.00 0.00 H new ATOM 0 HG2 ARG A 79 2.705 -9.172 6.364 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.288 -8.141 6.351 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.011 -10.482 6.106 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.480 -11.102 6.835 1.00 0.00 H new ATOM 0 HE ARG A 79 0.378 -8.797 8.262 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.269 -12.307 7.851 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -0.378 -12.591 9.470 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.453 -9.176 10.337 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.784 -10.827 10.870 1.00 0.00 H new ATOM 1226 N HIS A 80 2.704 -6.429 5.306 1.00 0.00 N ATOM 1227 CA HIS A 80 2.481 -5.056 5.743 1.00 0.00 C ATOM 1228 C HIS A 80 3.150 -4.067 4.794 1.00 0.00 C ATOM 1229 O HIS A 80 2.609 -2.997 4.514 1.00 0.00 O ATOM 1230 CB HIS A 80 3.014 -4.858 7.164 1.00 0.00 C ATOM 1231 CG HIS A 80 2.036 -5.247 8.229 1.00 0.00 C ATOM 1232 ND1 HIS A 80 2.229 -4.968 9.566 1.00 0.00 N ATOM 1233 CD2 HIS A 80 0.849 -5.894 8.149 1.00 0.00 C ATOM 1234 CE1 HIS A 80 1.205 -5.429 10.261 1.00 0.00 C ATOM 1235 NE2 HIS A 80 0.354 -5.994 9.425 1.00 0.00 N ATOM 0 H HIS A 80 3.213 -7.007 5.974 1.00 0.00 H new ATOM 0 HA HIS A 80 1.407 -4.869 5.736 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.925 -5.444 7.287 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.288 -3.812 7.298 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.380 -6.263 7.249 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.084 -5.356 11.332 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.529 -6.434 9.685 1.00 0.00 H new ATOM 1244 N ARG A 81 4.330 -4.430 4.304 1.00 0.00 N ATOM 1245 CA ARG A 81 5.074 -3.574 3.387 1.00 0.00 C ATOM 1246 C ARG A 81 4.417 -3.553 2.010 1.00 0.00 C ATOM 1247 O ARG A 81 4.472 -2.549 1.301 1.00 0.00 O ATOM 1248 CB ARG A 81 6.522 -4.054 3.269 1.00 0.00 C ATOM 1249 CG ARG A 81 7.497 -3.262 4.124 1.00 0.00 C ATOM 1250 CD ARG A 81 8.929 -3.726 3.913 1.00 0.00 C ATOM 1251 NE ARG A 81 9.385 -4.602 4.990 1.00 0.00 N ATOM 1252 CZ ARG A 81 10.439 -5.411 4.892 1.00 0.00 C ATOM 1253 NH1 ARG A 81 11.146 -5.457 3.769 1.00 0.00 N ATOM 1254 NH2 ARG A 81 10.786 -6.174 5.918 1.00 0.00 N ATOM 0 H ARG A 81 4.792 -5.312 4.526 1.00 0.00 H new ATOM 0 HA ARG A 81 5.068 -2.560 3.788 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.572 -5.105 3.554 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.833 -3.992 2.226 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.418 -2.202 3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.230 -3.369 5.175 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.003 -4.253 2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.586 -2.858 3.849 1.00 0.00 H new ATOM 0 HE ARG A 81 8.866 -4.594 5.868 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.883 -4.871 2.976 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.952 -6.078 3.699 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.246 -6.142 6.783 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.593 -6.793 5.843 1.00 0.00 H new ATOM 1268 N LEU A 82 3.795 -4.667 1.639 1.00 0.00 N ATOM 1269 CA LEU A 82 3.127 -4.777 0.348 1.00 0.00 C ATOM 1270 C LEU A 82 2.019 -3.737 0.219 1.00 0.00 C ATOM 1271 O LEU A 82 1.818 -3.158 -0.849 1.00 0.00 O ATOM 1272 CB LEU A 82 2.550 -6.182 0.167 1.00 0.00 C ATOM 1273 CG LEU A 82 3.482 -7.181 -0.520 1.00 0.00 C ATOM 1274 CD1 LEU A 82 2.788 -8.522 -0.700 1.00 0.00 C ATOM 1275 CD2 LEU A 82 3.949 -6.636 -1.862 1.00 0.00 C ATOM 0 H LEU A 82 3.740 -5.507 2.215 1.00 0.00 H new ATOM 0 HA LEU A 82 3.865 -4.593 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.279 -6.576 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.630 -6.109 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 82 4.356 -7.330 0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.467 -9.220 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.503 -8.918 0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.897 -8.391 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.611 -7.359 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.085 -6.458 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.485 -5.700 -1.708 1.00 0.00 H new ATOM 1287 N VAL A 83 1.301 -3.505 1.314 1.00 0.00 N ATOM 1288 CA VAL A 83 0.213 -2.536 1.322 1.00 0.00 C ATOM 1289 C VAL A 83 0.745 -1.109 1.228 1.00 0.00 C ATOM 1290 O VAL A 83 0.201 -0.281 0.500 1.00 0.00 O ATOM 1291 CB VAL A 83 -0.647 -2.667 2.594 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -1.888 -1.794 2.493 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -1.027 -4.121 2.833 1.00 0.00 C ATOM 0 H VAL A 83 1.454 -3.975 2.206 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.405 -2.749 0.450 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.059 -2.324 3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.482 -1.900 3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.591 -0.752 2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.481 -2.103 1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.634 -4.195 3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.596 -4.493 1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.123 -4.718 2.954 1.00 0.00 H new ATOM 1303 N ASN A 84 1.812 -0.832 1.972 1.00 0.00 N ATOM 1304 CA ASN A 84 2.417 0.495 1.971 1.00 0.00 C ATOM 1305 C ASN A 84 3.090 0.786 0.634 1.00 0.00 C ATOM 1306 O ASN A 84 2.998 1.897 0.111 1.00 0.00 O ATOM 1307 CB ASN A 84 3.439 0.611 3.104 1.00 0.00 C ATOM 1308 CG ASN A 84 2.800 0.485 4.474 1.00 0.00 C ATOM 1309 OD1 ASN A 84 1.777 1.108 4.754 1.00 0.00 O ATOM 1310 ND2 ASN A 84 3.404 -0.325 5.336 1.00 0.00 N ATOM 0 H ASN A 84 2.274 -1.507 2.581 1.00 0.00 H new ATOM 0 HA ASN A 84 1.625 1.228 2.126 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.197 -0.164 2.987 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.950 1.571 3.031 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.021 -0.450 6.273 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.251 -0.822 5.061 1.00 0.00 H new ATOM 1317 N GLU A 85 3.765 -0.218 0.086 1.00 0.00 N ATOM 1318 CA GLU A 85 4.453 -0.069 -1.191 1.00 0.00 C ATOM 1319 C GLU A 85 3.461 0.216 -2.314 1.00 0.00 C ATOM 1320 O GLU A 85 3.766 0.948 -3.255 1.00 0.00 O ATOM 1321 CB GLU A 85 5.256 -1.331 -1.513 1.00 0.00 C ATOM 1322 CG GLU A 85 6.525 -1.471 -0.687 1.00 0.00 C ATOM 1323 CD GLU A 85 7.700 -1.970 -1.505 1.00 0.00 C ATOM 1324 OE1 GLU A 85 7.717 -3.171 -1.848 1.00 0.00 O ATOM 1325 OE2 GLU A 85 8.604 -1.161 -1.801 1.00 0.00 O ATOM 0 H GLU A 85 3.851 -1.144 0.506 1.00 0.00 H new ATOM 0 HA GLU A 85 5.136 0.777 -1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.626 -2.205 -1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.520 -1.324 -2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.777 -0.506 -0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.343 -2.159 0.138 1.00 0.00 H new ATOM 1332 N CYS A 86 2.271 -0.367 -2.208 1.00 0.00 N ATOM 1333 CA CYS A 86 1.233 -0.175 -3.214 1.00 0.00 C ATOM 1334 C CYS A 86 0.851 1.297 -3.328 1.00 0.00 C ATOM 1335 O CYS A 86 0.985 1.903 -4.392 1.00 0.00 O ATOM 1336 CB CYS A 86 -0.002 -1.010 -2.869 1.00 0.00 C ATOM 1337 SG CYS A 86 -0.841 -1.715 -4.306 1.00 0.00 S ATOM 0 H CYS A 86 2.002 -0.976 -1.435 1.00 0.00 H new ATOM 0 HA CYS A 86 1.628 -0.504 -4.175 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.295 -1.819 -2.202 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.707 -0.386 -2.320 1.00 0.00 H new ATOM 0 HG CYS A 86 -0.491 -2.959 -4.446 1.00 0.00 H new ATOM 1343 N LEU A 87 0.376 1.867 -2.225 1.00 0.00 N ATOM 1344 CA LEU A 87 -0.025 3.269 -2.201 1.00 0.00 C ATOM 1345 C LEU A 87 1.020 4.119 -1.486 1.00 0.00 C ATOM 1346 O LEU A 87 0.700 4.873 -0.565 1.00 0.00 O ATOM 1347 CB LEU A 87 -1.385 3.419 -1.515 1.00 0.00 C ATOM 1348 CG LEU A 87 -2.410 2.338 -1.863 1.00 0.00 C ATOM 1349 CD1 LEU A 87 -3.493 2.266 -0.798 1.00 0.00 C ATOM 1350 CD2 LEU A 87 -3.021 2.607 -3.230 1.00 0.00 C ATOM 0 H LEU A 87 0.259 1.380 -1.337 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.107 3.619 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.232 3.419 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.802 4.391 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.899 1.376 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.213 1.492 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.041 2.027 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.002 3.227 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.748 1.829 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.518 3.577 -3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.236 2.608 -3.986 1.00 0.00 H new ATOM 1362 N ALA A 88 2.271 3.993 -1.914 1.00 0.00 N ATOM 1363 CA ALA A 88 3.365 4.747 -1.315 1.00 0.00 C ATOM 1364 C ALA A 88 3.226 6.239 -1.599 1.00 0.00 C ATOM 1365 O ALA A 88 3.418 7.070 -0.713 1.00 0.00 O ATOM 1366 CB ALA A 88 4.702 4.233 -1.827 1.00 0.00 C ATOM 0 H ALA A 88 2.553 3.375 -2.675 1.00 0.00 H new ATOM 0 HA ALA A 88 3.322 4.605 -0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.510 4.805 -1.371 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.811 3.180 -1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.744 4.345 -2.910 1.00 0.00 H new ATOM 1372 N GLU A 89 2.892 6.572 -2.841 1.00 0.00 N ATOM 1373 CA GLU A 89 2.729 7.965 -3.243 1.00 0.00 C ATOM 1374 C GLU A 89 1.418 8.538 -2.711 1.00 0.00 C ATOM 1375 O GLU A 89 1.345 9.712 -2.348 1.00 0.00 O ATOM 1376 CB GLU A 89 2.770 8.086 -4.767 1.00 0.00 C ATOM 1377 CG GLU A 89 4.067 7.586 -5.382 1.00 0.00 C ATOM 1378 CD GLU A 89 3.992 7.481 -6.893 1.00 0.00 C ATOM 1379 OE1 GLU A 89 4.093 8.529 -7.566 1.00 0.00 O ATOM 1380 OE2 GLU A 89 3.834 6.352 -7.403 1.00 0.00 O ATOM 0 H GLU A 89 2.729 5.896 -3.587 1.00 0.00 H new ATOM 0 HA GLU A 89 3.553 8.537 -2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.937 7.525 -5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.625 9.130 -5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.879 8.260 -5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.310 6.609 -4.965 1.00 0.00 H new ATOM 1387 N GLU A 90 0.386 7.704 -2.673 1.00 0.00 N ATOM 1388 CA GLU A 90 -0.925 8.126 -2.190 1.00 0.00 C ATOM 1389 C GLU A 90 -0.945 8.245 -0.668 1.00 0.00 C ATOM 1390 O GLU A 90 -1.689 9.051 -0.110 1.00 0.00 O ATOM 1391 CB GLU A 90 -2.001 7.139 -2.647 1.00 0.00 C ATOM 1392 CG GLU A 90 -2.581 7.462 -4.014 1.00 0.00 C ATOM 1393 CD GLU A 90 -2.035 6.562 -5.106 1.00 0.00 C ATOM 1394 OE1 GLU A 90 -2.032 5.328 -4.912 1.00 0.00 O ATOM 1395 OE2 GLU A 90 -1.612 7.092 -6.154 1.00 0.00 O ATOM 0 H GLU A 90 0.431 6.730 -2.971 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.134 9.109 -2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.576 6.136 -2.670 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.807 7.127 -1.913 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.666 7.365 -3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.362 8.501 -4.261 1.00 0.00 H new ATOM 1402 N LEU A 91 -0.129 7.433 -0.001 1.00 0.00 N ATOM 1403 CA LEU A 91 -0.060 7.442 1.460 1.00 0.00 C ATOM 1404 C LEU A 91 0.097 8.862 2.006 1.00 0.00 C ATOM 1405 O LEU A 91 -0.730 9.327 2.789 1.00 0.00 O ATOM 1406 CB LEU A 91 1.094 6.560 1.943 1.00 0.00 C ATOM 1407 CG LEU A 91 0.682 5.174 2.444 1.00 0.00 C ATOM 1408 CD1 LEU A 91 1.889 4.418 2.977 1.00 0.00 C ATOM 1409 CD2 LEU A 91 -0.391 5.293 3.518 1.00 0.00 C ATOM 0 H LEU A 91 0.494 6.760 -0.448 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.000 7.040 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.805 6.438 1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.617 7.079 2.746 1.00 0.00 H new ATOM 0 HG LEU A 91 0.269 4.613 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.576 3.435 3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.626 4.302 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.332 4.975 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.672 4.298 3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.004 5.872 4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.266 5.794 3.104 1.00 0.00 H new ATOM 1421 N PRO A 92 1.167 9.573 1.602 1.00 0.00 N ATOM 1422 CA PRO A 92 1.421 10.943 2.059 1.00 0.00 C ATOM 1423 C PRO A 92 0.168 11.814 2.027 1.00 0.00 C ATOM 1424 O PRO A 92 0.001 12.707 2.857 1.00 0.00 O ATOM 1425 CB PRO A 92 2.453 11.454 1.055 1.00 0.00 C ATOM 1426 CG PRO A 92 3.196 10.237 0.627 1.00 0.00 C ATOM 1427 CD PRO A 92 2.210 9.099 0.673 1.00 0.00 C ATOM 0 HA PRO A 92 1.755 10.974 3.096 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.973 11.944 0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.120 12.186 1.510 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.599 10.361 -0.378 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.041 10.045 1.288 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.799 8.886 -0.314 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.676 8.180 1.030 1.00 0.00 H new ATOM 1435 N HIS A 93 -0.708 11.548 1.064 1.00 0.00 N ATOM 1436 CA HIS A 93 -1.945 12.307 0.926 1.00 0.00 C ATOM 1437 C HIS A 93 -2.954 11.903 1.995 1.00 0.00 C ATOM 1438 O HIS A 93 -3.760 12.719 2.444 1.00 0.00 O ATOM 1439 CB HIS A 93 -2.546 12.095 -0.465 1.00 0.00 C ATOM 1440 CG HIS A 93 -1.743 12.715 -1.565 1.00 0.00 C ATOM 1441 ND1 HIS A 93 -2.113 13.879 -2.205 1.00 0.00 N ATOM 1442 CD2 HIS A 93 -0.579 12.327 -2.140 1.00 0.00 C ATOM 1443 CE1 HIS A 93 -1.214 14.179 -3.125 1.00 0.00 C ATOM 1444 NE2 HIS A 93 -0.273 13.254 -3.106 1.00 0.00 N ATOM 0 H HIS A 93 -0.584 10.813 0.368 1.00 0.00 H new ATOM 0 HA HIS A 93 -1.709 13.363 1.055 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -2.639 11.025 -0.653 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.554 12.510 -0.483 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.000 11.452 -1.886 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -1.244 15.036 -3.782 1.00 0.00 H new ATOM 0 HE2 HIS A 93 0.548 13.231 -3.711 1.00 0.00 H new ATOM 1453 N ILE A 94 -2.905 10.639 2.401 1.00 0.00 N ATOM 1454 CA ILE A 94 -3.813 10.124 3.418 1.00 0.00 C ATOM 1455 C ILE A 94 -3.434 10.637 4.804 1.00 0.00 C ATOM 1456 O ILE A 94 -2.348 10.348 5.307 1.00 0.00 O ATOM 1457 CB ILE A 94 -3.820 8.584 3.441 1.00 0.00 C ATOM 1458 CG1 ILE A 94 -4.003 8.030 2.027 1.00 0.00 C ATOM 1459 CG2 ILE A 94 -4.916 8.072 4.364 1.00 0.00 C ATOM 1460 CD1 ILE A 94 -5.346 8.366 1.414 1.00 0.00 C ATOM 0 H ILE A 94 -2.244 9.951 2.040 1.00 0.00 H new ATOM 0 HA ILE A 94 -4.810 10.481 3.159 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.860 8.238 3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.213 8.422 1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.885 6.947 2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.908 6.982 4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.742 8.441 5.375 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.884 8.426 4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.405 7.941 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.142 7.950 2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.459 9.449 1.356 1.00 0.00 H new ATOM 1472 N HIS A 95 -4.335 11.397 5.417 1.00 0.00 N ATOM 1473 CA HIS A 95 -4.094 11.945 6.746 1.00 0.00 C ATOM 1474 C HIS A 95 -3.974 10.829 7.778 1.00 0.00 C ATOM 1475 O HIS A 95 -3.246 10.954 8.763 1.00 0.00 O ATOM 1476 CB HIS A 95 -5.222 12.901 7.140 1.00 0.00 C ATOM 1477 CG HIS A 95 -4.804 13.942 8.130 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -5.452 15.152 8.271 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -3.797 13.952 9.035 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -4.861 15.860 9.217 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -3.855 15.154 9.697 1.00 0.00 N ATOM 0 H HIS A 95 -5.238 11.647 5.015 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.154 12.496 6.720 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.599 13.394 6.244 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.047 12.324 7.558 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.081 13.161 9.205 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.152 16.848 9.542 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.223 15.453 10.440 1.00 0.00 H new ATOM 1490 N ALA A 96 -4.694 9.736 7.543 1.00 0.00 N ATOM 1491 CA ALA A 96 -4.670 8.594 8.448 1.00 0.00 C ATOM 1492 C ALA A 96 -5.057 7.313 7.720 1.00 0.00 C ATOM 1493 O ALA A 96 -6.177 7.183 7.225 1.00 0.00 O ATOM 1494 CB ALA A 96 -5.601 8.835 9.628 1.00 0.00 C ATOM 0 H ALA A 96 -5.302 9.618 6.732 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.653 8.477 8.821 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.573 7.974 10.296 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.279 9.725 10.170 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.619 8.980 9.265 1.00 0.00 H new ATOM 1500 N PHE A 97 -4.124 6.369 7.656 1.00 0.00 N ATOM 1501 CA PHE A 97 -4.368 5.097 6.985 1.00 0.00 C ATOM 1502 C PHE A 97 -4.131 3.926 7.932 1.00 0.00 C ATOM 1503 O PHE A 97 -3.184 3.932 8.719 1.00 0.00 O ATOM 1504 CB PHE A 97 -3.467 4.966 5.756 1.00 0.00 C ATOM 1505 CG PHE A 97 -3.919 3.908 4.789 1.00 0.00 C ATOM 1506 CD1 PHE A 97 -3.516 2.592 4.946 1.00 0.00 C ATOM 1507 CD2 PHE A 97 -4.744 4.231 3.725 1.00 0.00 C ATOM 1508 CE1 PHE A 97 -3.929 1.616 4.057 1.00 0.00 C ATOM 1509 CE2 PHE A 97 -5.161 3.259 2.834 1.00 0.00 C ATOM 1510 CZ PHE A 97 -4.753 1.951 3.001 1.00 0.00 C ATOM 0 H PHE A 97 -3.192 6.461 8.060 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.411 5.076 6.668 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.428 5.925 5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -2.452 4.739 6.082 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.872 2.325 5.771 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.065 5.253 3.589 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.607 0.593 4.189 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.805 3.523 2.008 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.078 1.190 2.306 1.00 0.00 H new ATOM 1520 N GLU A 98 -4.996 2.920 7.849 1.00 0.00 N ATOM 1521 CA GLU A 98 -4.881 1.740 8.696 1.00 0.00 C ATOM 1522 C GLU A 98 -5.279 0.482 7.930 1.00 0.00 C ATOM 1523 O GLU A 98 -6.408 0.365 7.453 1.00 0.00 O ATOM 1524 CB GLU A 98 -5.758 1.892 9.941 1.00 0.00 C ATOM 1525 CG GLU A 98 -5.217 1.161 11.159 1.00 0.00 C ATOM 1526 CD GLU A 98 -6.314 0.538 12.000 1.00 0.00 C ATOM 1527 OE1 GLU A 98 -7.231 -0.079 11.417 1.00 0.00 O ATOM 1528 OE2 GLU A 98 -6.256 0.666 13.241 1.00 0.00 O ATOM 0 H GLU A 98 -5.785 2.899 7.203 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.840 1.643 9.004 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.858 2.951 10.178 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.758 1.520 9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.527 0.382 10.834 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.646 1.858 11.772 1.00 0.00 H new ATOM 1535 N GLN A 99 -4.344 -0.456 7.815 1.00 0.00 N ATOM 1536 CA GLN A 99 -4.598 -1.704 7.106 1.00 0.00 C ATOM 1537 C GLN A 99 -4.550 -2.894 8.058 1.00 0.00 C ATOM 1538 O GLN A 99 -3.736 -2.932 8.980 1.00 0.00 O ATOM 1539 CB GLN A 99 -3.575 -1.894 5.984 1.00 0.00 C ATOM 1540 CG GLN A 99 -2.139 -1.966 6.476 1.00 0.00 C ATOM 1541 CD GLN A 99 -1.181 -1.187 5.596 1.00 0.00 C ATOM 1542 OE1 GLN A 99 -1.584 -0.271 4.880 1.00 0.00 O ATOM 1543 NE2 GLN A 99 0.096 -1.546 5.648 1.00 0.00 N ATOM 0 H GLN A 99 -3.404 -0.375 8.204 1.00 0.00 H new ATOM 0 HA GLN A 99 -5.597 -1.649 6.674 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.810 -2.809 5.440 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.667 -1.070 5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.088 -1.579 7.494 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.824 -3.009 6.515 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.386 -2.312 6.256 1.00 0.00 H new ATOM 0 HE22 GLN A 99 0.787 -1.056 5.080 1.00 0.00 H new ATOM 1552 N LYS A 100 -5.427 -3.865 7.826 1.00 0.00 N ATOM 1553 CA LYS A 100 -5.485 -5.060 8.661 1.00 0.00 C ATOM 1554 C LYS A 100 -5.600 -6.316 7.804 1.00 0.00 C ATOM 1555 O LYS A 100 -6.483 -6.420 6.953 1.00 0.00 O ATOM 1556 CB LYS A 100 -6.669 -4.975 9.627 1.00 0.00 C ATOM 1557 CG LYS A 100 -6.285 -4.504 11.021 1.00 0.00 C ATOM 1558 CD LYS A 100 -7.388 -4.787 12.028 1.00 0.00 C ATOM 1559 CE LYS A 100 -7.126 -4.088 13.352 1.00 0.00 C ATOM 1560 NZ LYS A 100 -8.339 -4.060 14.215 1.00 0.00 N ATOM 0 H LYS A 100 -6.108 -3.848 7.067 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.561 -5.118 9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.415 -4.295 9.215 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.138 -5.956 9.701 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.368 -5.002 11.335 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.076 -3.435 11.000 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.345 -4.456 11.624 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.466 -5.862 12.192 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.318 -4.597 13.878 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.791 -3.068 13.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.118 -3.575 15.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.102 -3.552 13.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.645 -5.034 14.416 1.00 0.00 H new ATOM 1574 N THR A 101 -4.701 -7.268 8.034 1.00 0.00 N ATOM 1575 CA THR A 101 -4.700 -8.517 7.281 1.00 0.00 C ATOM 1576 C THR A 101 -4.887 -9.712 8.210 1.00 0.00 C ATOM 1577 O THR A 101 -4.314 -9.760 9.299 1.00 0.00 O ATOM 1578 CB THR A 101 -3.396 -8.664 6.497 1.00 0.00 C ATOM 1579 OG1 THR A 101 -2.327 -9.006 7.362 1.00 0.00 O ATOM 1580 CG2 THR A 101 -3.000 -7.408 5.751 1.00 0.00 C ATOM 0 H THR A 101 -3.964 -7.198 8.736 1.00 0.00 H new ATOM 0 HA THR A 101 -5.535 -8.490 6.580 1.00 0.00 H new ATOM 0 HB THR A 101 -3.584 -9.454 5.770 1.00 0.00 H new ATOM 0 HG1 THR A 101 -1.569 -8.406 7.199 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.066 -7.582 5.216 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.783 -7.146 5.039 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.866 -6.591 6.460 1.00 0.00 H new ATOM 1588 N LEU A 102 -5.690 -10.676 7.771 1.00 0.00 N ATOM 1589 CA LEU A 102 -5.952 -11.872 8.562 1.00 0.00 C ATOM 1590 C LEU A 102 -6.199 -13.077 7.658 1.00 0.00 C ATOM 1591 O LEU A 102 -6.585 -12.928 6.499 1.00 0.00 O ATOM 1592 CB LEU A 102 -7.156 -11.650 9.480 1.00 0.00 C ATOM 1593 CG LEU A 102 -6.811 -11.267 10.921 1.00 0.00 C ATOM 1594 CD1 LEU A 102 -8.075 -11.152 11.760 1.00 0.00 C ATOM 1595 CD2 LEU A 102 -5.857 -12.285 11.527 1.00 0.00 C ATOM 0 H LEU A 102 -6.170 -10.652 6.872 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.073 -12.074 9.174 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.780 -10.866 9.052 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.754 -12.561 9.496 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.317 -10.295 10.911 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.810 -10.879 12.781 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.724 -10.386 11.336 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.597 -12.109 11.764 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.622 -11.998 12.552 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.325 -13.269 11.524 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.939 -12.318 10.940 1.00 0.00 H new ATOM 1607 N THR A 103 -5.972 -14.271 8.197 1.00 0.00 N ATOM 1608 CA THR A 103 -6.170 -15.501 7.441 1.00 0.00 C ATOM 1609 C THR A 103 -7.649 -15.875 7.386 1.00 0.00 C ATOM 1610 O THR A 103 -8.427 -15.493 8.261 1.00 0.00 O ATOM 1611 CB THR A 103 -5.366 -16.643 8.064 1.00 0.00 C ATOM 1612 OG1 THR A 103 -5.988 -17.105 9.249 1.00 0.00 O ATOM 1613 CG2 THR A 103 -3.945 -16.255 8.411 1.00 0.00 C ATOM 0 H THR A 103 -5.651 -14.412 9.155 1.00 0.00 H new ATOM 0 HA THR A 103 -5.819 -15.332 6.423 1.00 0.00 H new ATOM 0 HB THR A 103 -5.336 -17.424 7.304 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.460 -17.836 9.632 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.431 -17.111 8.849 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.423 -15.941 7.507 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.957 -15.433 9.127 1.00 0.00 H new ATOM 1621 N PRO A 104 -8.059 -16.631 6.354 1.00 0.00 N ATOM 1622 CA PRO A 104 -9.453 -17.056 6.191 1.00 0.00 C ATOM 1623 C PRO A 104 -10.001 -17.734 7.442 1.00 0.00 C ATOM 1624 O PRO A 104 -11.087 -17.401 7.915 1.00 0.00 O ATOM 1625 CB PRO A 104 -9.389 -18.050 5.027 1.00 0.00 C ATOM 1626 CG PRO A 104 -8.179 -17.653 4.255 1.00 0.00 C ATOM 1627 CD PRO A 104 -7.196 -17.131 5.267 1.00 0.00 C ATOM 0 HA PRO A 104 -10.118 -16.212 6.010 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -9.310 -19.076 5.387 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -10.287 -17.996 4.411 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -7.766 -18.503 3.712 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.421 -16.889 3.516 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.524 -17.915 5.616 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.573 -16.339 4.851 1.00 0.00 H new ATOM 1635 N GLU A 105 -9.244 -18.689 7.971 1.00 0.00 N ATOM 1636 CA GLU A 105 -9.654 -19.416 9.168 1.00 0.00 C ATOM 1637 C GLU A 105 -9.863 -18.462 10.340 1.00 0.00 C ATOM 1638 O GLU A 105 -10.766 -18.652 11.153 1.00 0.00 O ATOM 1639 CB GLU A 105 -8.607 -20.470 9.533 1.00 0.00 C ATOM 1640 CG GLU A 105 -9.182 -21.665 10.277 1.00 0.00 C ATOM 1641 CD GLU A 105 -8.232 -22.847 10.304 1.00 0.00 C ATOM 1642 OE1 GLU A 105 -8.220 -23.621 9.324 1.00 0.00 O ATOM 1643 OE2 GLU A 105 -7.500 -22.997 11.303 1.00 0.00 O ATOM 0 H GLU A 105 -8.343 -18.978 7.590 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.601 -19.913 8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -8.121 -20.819 8.622 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.835 -20.006 10.148 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.420 -21.372 11.299 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.118 -21.966 9.806 1.00 0.00 H new ATOM 1650 N GLN A 106 -9.021 -17.437 10.420 1.00 0.00 N ATOM 1651 CA GLN A 106 -9.114 -16.454 11.492 1.00 0.00 C ATOM 1652 C GLN A 106 -10.424 -15.679 11.409 1.00 0.00 C ATOM 1653 O GLN A 106 -11.133 -15.528 12.405 1.00 0.00 O ATOM 1654 CB GLN A 106 -7.930 -15.486 11.430 1.00 0.00 C ATOM 1655 CG GLN A 106 -6.728 -15.943 12.240 1.00 0.00 C ATOM 1656 CD GLN A 106 -6.834 -15.564 13.704 1.00 0.00 C ATOM 1657 OE1 GLN A 106 -7.391 -14.522 14.049 1.00 0.00 O ATOM 1658 NE2 GLN A 106 -6.296 -16.411 14.575 1.00 0.00 N ATOM 0 H GLN A 106 -8.267 -17.266 9.755 1.00 0.00 H new ATOM 0 HA GLN A 106 -9.089 -16.988 12.442 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.630 -15.359 10.390 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.251 -14.509 11.791 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.627 -17.025 12.155 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -5.823 -15.504 11.819 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.844 -17.264 14.245 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.335 -16.209 15.574 1.00 0.00 H new ATOM 1667 N TRP A 107 -10.742 -15.190 10.215 1.00 0.00 N ATOM 1668 CA TRP A 107 -11.968 -14.430 10.002 1.00 0.00 C ATOM 1669 C TRP A 107 -13.192 -15.338 10.065 1.00 0.00 C ATOM 1670 O TRP A 107 -14.249 -14.939 10.553 1.00 0.00 O ATOM 1671 CB TRP A 107 -11.920 -13.710 8.654 1.00 0.00 C ATOM 1672 CG TRP A 107 -12.458 -12.314 8.718 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -13.735 -11.918 8.449 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -11.735 -11.133 9.076 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -13.850 -10.558 8.614 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -12.635 -10.053 8.999 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -10.414 -10.883 9.454 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -12.255 -8.745 9.287 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -10.037 -9.584 9.739 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -10.955 -8.529 9.655 1.00 0.00 C ATOM 0 H TRP A 107 -10.168 -15.306 9.380 1.00 0.00 H new ATOM 0 HA TRP A 107 -12.048 -13.690 10.798 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -10.889 -13.681 8.300 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -12.492 -14.281 7.923 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -14.538 -12.576 8.150 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -14.701 -10.013 8.473 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -9.700 -11.690 9.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -12.961 -7.930 9.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -9.018 -9.379 10.031 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -10.630 -7.525 9.885 1.00 0.00 H new ATOM 1691 N THR A 108 -13.041 -16.562 9.569 1.00 0.00 N ATOM 1692 CA THR A 108 -14.133 -17.527 9.568 1.00 0.00 C ATOM 1693 C THR A 108 -14.602 -17.818 10.991 1.00 0.00 C ATOM 1694 O THR A 108 -15.778 -18.100 11.221 1.00 0.00 O ATOM 1695 CB THR A 108 -13.693 -18.822 8.887 1.00 0.00 C ATOM 1696 OG1 THR A 108 -13.253 -18.569 7.564 1.00 0.00 O ATOM 1697 CG2 THR A 108 -14.787 -19.862 8.815 1.00 0.00 C ATOM 0 H THR A 108 -12.172 -16.909 9.162 1.00 0.00 H new ATOM 0 HA THR A 108 -14.966 -17.098 9.012 1.00 0.00 H new ATOM 0 HB THR A 108 -12.884 -19.212 9.505 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.384 -18.116 7.589 1.00 0.00 H new ATOM 0 HG21 THR A 108 -14.407 -20.756 8.320 1.00 0.00 H new ATOM 0 HG22 THR A 108 -15.114 -20.117 9.823 1.00 0.00 H new ATOM 0 HG23 THR A 108 -15.630 -19.465 8.250 1.00 0.00 H new