USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 540 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 103 HIS : no HE2:sc= -6.19! C(o=-6.7!,f=-6.8!) USER MOD Set 1.2: A 104 LYS NZ :NH3+ -118:sc= -0.457 (180deg=-0.201) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 74:sc= 0.873 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 17:sc= -0.678 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.28) USER MOD Single : A 87 THR OG1 : rot 165:sc= 0.138 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc=-0.00604 X(o=-0.006,f=-0.0076) USER MOD Single : A 92 CYS SG : rot 159:sc= -0.354 USER MOD Single : A 93 GLN : amide:sc=-0.000928 X(o=-0.00093,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 521 N LEU A 39 9.705 -5.900 8.470 1.00 0.00 N ATOM 522 CA LEU A 39 9.201 -4.606 8.918 1.00 0.00 C ATOM 523 C LEU A 39 8.367 -4.756 10.186 1.00 0.00 C ATOM 524 O LEU A 39 8.149 -5.868 10.669 1.00 0.00 O ATOM 525 CB LEU A 39 8.362 -3.953 7.817 1.00 0.00 C ATOM 526 CG LEU A 39 8.946 -4.063 6.408 1.00 0.00 C ATOM 527 CD1 LEU A 39 7.840 -4.001 5.366 1.00 0.00 C ATOM 528 CD2 LEU A 39 9.970 -2.963 6.169 1.00 0.00 C ATOM 0 HA LEU A 39 10.057 -3.968 9.141 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.371 -4.406 7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.231 -2.898 8.058 1.00 0.00 H new ATOM 0 HG LEU A 39 9.449 -5.026 6.317 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.274 -4.081 4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.143 -4.824 5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.309 -3.054 5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.376 -3.056 5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.491 -1.990 6.279 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.778 -3.054 6.895 1.00 0.00 H new ATOM 540 N LYS A 40 7.903 -3.632 10.720 1.00 0.00 N ATOM 541 CA LYS A 40 7.093 -3.638 11.931 1.00 0.00 C ATOM 542 C LYS A 40 5.966 -2.615 11.837 1.00 0.00 C ATOM 543 O LYS A 40 6.068 -1.632 11.102 1.00 0.00 O ATOM 544 CB LYS A 40 7.963 -3.346 13.155 1.00 0.00 C ATOM 545 CG LYS A 40 8.972 -4.441 13.458 1.00 0.00 C ATOM 546 CD LYS A 40 10.293 -3.864 13.943 1.00 0.00 C ATOM 547 CE LYS A 40 11.312 -4.957 14.223 1.00 0.00 C ATOM 548 NZ LYS A 40 12.430 -4.937 13.240 1.00 0.00 N ATOM 0 H LYS A 40 8.074 -2.704 10.332 1.00 0.00 H new ATOM 0 HA LYS A 40 6.652 -4.629 12.037 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.494 -2.407 12.997 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.319 -3.206 14.023 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.566 -5.111 14.216 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.142 -5.039 12.562 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.689 -3.180 13.193 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.125 -3.281 14.849 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.711 -4.832 15.230 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.820 -5.929 14.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.104 -5.697 13.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.052 -5.081 12.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.916 -4.019 13.286 1.00 0.00 H new ATOM 562 N ILE A 41 4.894 -2.851 12.584 1.00 0.00 N ATOM 563 CA ILE A 41 3.749 -1.950 12.585 1.00 0.00 C ATOM 564 C ILE A 41 4.076 -0.647 13.307 1.00 0.00 C ATOM 565 O ILE A 41 4.127 -0.603 14.535 1.00 0.00 O ATOM 566 CB ILE A 41 2.521 -2.598 13.253 1.00 0.00 C ATOM 567 CG1 ILE A 41 2.283 -3.998 12.682 1.00 0.00 C ATOM 568 CG2 ILE A 41 1.291 -1.726 13.062 1.00 0.00 C ATOM 569 CD1 ILE A 41 2.062 -4.010 11.185 1.00 0.00 C ATOM 0 H ILE A 41 4.794 -3.660 13.197 1.00 0.00 H new ATOM 0 HA ILE A 41 3.515 -1.738 11.542 1.00 0.00 H new ATOM 0 HB ILE A 41 2.713 -2.689 14.322 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.139 -4.629 12.920 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.416 -4.439 13.173 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.433 -2.198 13.540 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.465 -0.748 13.512 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.092 -1.605 11.997 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.900 -5.034 10.849 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.188 -3.406 10.941 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.939 -3.599 10.684 1.00 0.00 H new ATOM 581 N GLY A 42 4.298 0.412 12.535 1.00 0.00 N ATOM 582 CA GLY A 42 4.618 1.701 13.118 1.00 0.00 C ATOM 583 C GLY A 42 5.578 2.504 12.262 1.00 0.00 C ATOM 584 O GLY A 42 5.562 3.735 12.288 1.00 0.00 O ATOM 0 H GLY A 42 4.262 0.400 11.516 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.699 2.270 13.259 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.055 1.551 14.105 1.00 0.00 H new ATOM 588 N ASP A 43 6.414 1.806 11.501 1.00 0.00 N ATOM 589 CA ASP A 43 7.386 2.461 10.633 1.00 0.00 C ATOM 590 C ASP A 43 6.747 2.866 9.309 1.00 0.00 C ATOM 591 O ASP A 43 5.721 2.316 8.910 1.00 0.00 O ATOM 592 CB ASP A 43 8.577 1.535 10.376 1.00 0.00 C ATOM 593 CG ASP A 43 9.608 1.598 11.487 1.00 0.00 C ATOM 594 OD1 ASP A 43 9.205 1.635 12.668 1.00 0.00 O ATOM 595 OD2 ASP A 43 10.817 1.609 11.174 1.00 0.00 O ATOM 0 H ASP A 43 6.438 0.787 11.468 1.00 0.00 H new ATOM 0 HA ASP A 43 7.737 3.362 11.137 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.221 0.510 10.272 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.048 1.807 9.431 1.00 0.00 H new ATOM 600 N ARG A 44 7.361 3.831 8.632 1.00 0.00 N ATOM 601 CA ARG A 44 6.852 4.309 7.352 1.00 0.00 C ATOM 602 C ARG A 44 7.477 3.535 6.196 1.00 0.00 C ATOM 603 O ARG A 44 8.613 3.070 6.288 1.00 0.00 O ATOM 604 CB ARG A 44 7.133 5.805 7.194 1.00 0.00 C ATOM 605 CG ARG A 44 5.953 6.689 7.569 1.00 0.00 C ATOM 606 CD ARG A 44 5.780 7.836 6.587 1.00 0.00 C ATOM 607 NE ARG A 44 6.792 8.873 6.772 1.00 0.00 N ATOM 608 CZ ARG A 44 6.738 9.801 7.725 1.00 0.00 C ATOM 609 NH1 ARG A 44 5.723 9.825 8.581 1.00 0.00 N ATOM 610 NH2 ARG A 44 7.700 10.708 7.821 1.00 0.00 N ATOM 0 H ARG A 44 8.211 4.297 8.948 1.00 0.00 H new ATOM 0 HA ARG A 44 5.774 4.146 7.333 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.989 6.073 7.814 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.413 6.006 6.160 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.043 6.090 7.594 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.100 7.088 8.573 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.836 7.452 5.568 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.788 8.271 6.709 1.00 0.00 H new ATOM 0 HE ARG A 44 7.587 8.887 6.133 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.980 9.130 8.510 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.687 10.538 9.309 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.481 10.695 7.165 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.659 11.419 8.551 1.00 0.00 H new ATOM 624 N VAL A 45 6.728 3.402 5.106 1.00 0.00 N ATOM 625 CA VAL A 45 7.208 2.685 3.931 1.00 0.00 C ATOM 626 C VAL A 45 6.607 3.260 2.653 1.00 0.00 C ATOM 627 O VAL A 45 5.401 3.494 2.573 1.00 0.00 O ATOM 628 CB VAL A 45 6.872 1.185 4.013 1.00 0.00 C ATOM 629 CG1 VAL A 45 7.727 0.503 5.070 1.00 0.00 C ATOM 630 CG2 VAL A 45 5.393 0.983 4.300 1.00 0.00 C ATOM 0 H VAL A 45 5.786 3.782 5.012 1.00 0.00 H new ATOM 0 HA VAL A 45 8.291 2.806 3.907 1.00 0.00 H new ATOM 0 HB VAL A 45 7.096 0.729 3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.475 -0.557 5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.781 0.616 4.814 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.539 0.961 6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.175 -0.084 4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.139 1.454 5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.803 1.434 3.502 1.00 0.00 H new ATOM 640 N LEU A 46 7.456 3.483 1.655 1.00 0.00 N ATOM 641 CA LEU A 46 7.007 4.030 0.379 1.00 0.00 C ATOM 642 C LEU A 46 6.766 2.916 -0.634 1.00 0.00 C ATOM 643 O LEU A 46 7.425 1.877 -0.599 1.00 0.00 O ATOM 644 CB LEU A 46 8.041 5.017 -0.168 1.00 0.00 C ATOM 645 CG LEU A 46 7.601 5.791 -1.411 1.00 0.00 C ATOM 646 CD1 LEU A 46 6.999 7.131 -1.020 1.00 0.00 C ATOM 647 CD2 LEU A 46 8.774 5.990 -2.359 1.00 0.00 C ATOM 0 H LEU A 46 8.457 3.294 1.705 1.00 0.00 H new ATOM 0 HA LEU A 46 6.067 4.555 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.290 5.731 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.954 4.470 -0.403 1.00 0.00 H new ATOM 0 HG LEU A 46 6.837 5.208 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.692 7.668 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.132 6.967 -0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.741 7.720 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.442 6.543 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.560 6.551 -1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.162 5.019 -2.666 1.00 0.00 H new ATOM 659 N VAL A 47 5.816 3.140 -1.537 1.00 0.00 N ATOM 660 CA VAL A 47 5.487 2.156 -2.560 1.00 0.00 C ATOM 661 C VAL A 47 5.125 2.834 -3.878 1.00 0.00 C ATOM 662 O VAL A 47 4.222 3.669 -3.931 1.00 0.00 O ATOM 663 CB VAL A 47 4.319 1.253 -2.116 1.00 0.00 C ATOM 664 CG1 VAL A 47 3.056 2.074 -1.898 1.00 0.00 C ATOM 665 CG2 VAL A 47 4.078 0.147 -3.134 1.00 0.00 C ATOM 0 H VAL A 47 5.261 3.995 -1.580 1.00 0.00 H new ATOM 0 HA VAL A 47 6.374 1.540 -2.706 1.00 0.00 H new ATOM 0 HB VAL A 47 4.588 0.788 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.244 1.417 -1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.237 2.821 -1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.781 2.573 -2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.250 -0.479 -2.802 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.834 0.589 -4.100 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.977 -0.462 -3.230 1.00 0.00 H new ATOM 675 N GLY A 48 5.838 2.471 -4.939 1.00 0.00 N ATOM 676 CA GLY A 48 5.577 3.055 -6.242 1.00 0.00 C ATOM 677 C GLY A 48 6.507 4.209 -6.557 1.00 0.00 C ATOM 678 O GLY A 48 6.913 4.394 -7.705 1.00 0.00 O ATOM 0 H GLY A 48 6.591 1.784 -4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.683 2.287 -7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.545 3.403 -6.280 1.00 0.00 H new ATOM 682 N GLY A 49 6.845 4.990 -5.535 1.00 0.00 N ATOM 683 CA GLY A 49 7.731 6.123 -5.727 1.00 0.00 C ATOM 684 C GLY A 49 7.015 7.451 -5.581 1.00 0.00 C ATOM 685 O GLY A 49 7.415 8.449 -6.180 1.00 0.00 O ATOM 0 H GLY A 49 6.521 4.858 -4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.544 6.071 -5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.182 6.064 -6.718 1.00 0.00 H new ATOM 689 N THR A 50 5.954 7.465 -4.780 1.00 0.00 N ATOM 690 CA THR A 50 5.181 8.680 -4.557 1.00 0.00 C ATOM 691 C THR A 50 4.239 8.517 -3.368 1.00 0.00 C ATOM 692 O THR A 50 4.173 9.379 -2.492 1.00 0.00 O ATOM 693 CB THR A 50 4.383 9.039 -5.812 1.00 0.00 C ATOM 694 OG1 THR A 50 4.120 7.882 -6.585 1.00 0.00 O ATOM 695 CG2 THR A 50 5.088 10.038 -6.703 1.00 0.00 C ATOM 0 H THR A 50 5.611 6.648 -4.275 1.00 0.00 H new ATOM 0 HA THR A 50 5.878 9.488 -4.335 1.00 0.00 H new ATOM 0 HB THR A 50 3.459 9.490 -5.450 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.608 8.131 -7.382 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.468 10.249 -7.575 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.261 10.961 -6.149 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.043 9.625 -7.028 1.00 0.00 H new ATOM 703 N LYS A 51 3.511 7.405 -3.345 1.00 0.00 N ATOM 704 CA LYS A 51 2.573 7.129 -2.264 1.00 0.00 C ATOM 705 C LYS A 51 3.309 6.692 -1.002 1.00 0.00 C ATOM 706 O LYS A 51 4.103 5.752 -1.029 1.00 0.00 O ATOM 707 CB LYS A 51 1.579 6.046 -2.689 1.00 0.00 C ATOM 708 CG LYS A 51 0.767 6.415 -3.919 1.00 0.00 C ATOM 709 CD LYS A 51 -0.498 5.577 -4.024 1.00 0.00 C ATOM 710 CE LYS A 51 -1.276 5.898 -5.290 1.00 0.00 C ATOM 711 NZ LYS A 51 -1.086 4.855 -6.336 1.00 0.00 N ATOM 0 H LYS A 51 3.553 6.681 -4.062 1.00 0.00 H new ATOM 0 HA LYS A 51 2.029 8.048 -2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.123 5.122 -2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.899 5.844 -1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.502 7.472 -3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.374 6.273 -4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.236 4.519 -4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.128 5.757 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.336 5.986 -5.053 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.955 6.865 -5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.632 5.110 -7.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.077 4.789 -6.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.415 3.937 -5.975 1.00 0.00 H new ATOM 725 N ALA A 52 3.040 7.380 0.103 1.00 0.00 N ATOM 726 CA ALA A 52 3.677 7.063 1.375 1.00 0.00 C ATOM 727 C ALA A 52 2.643 6.914 2.485 1.00 0.00 C ATOM 728 O ALA A 52 1.565 7.506 2.427 1.00 0.00 O ATOM 729 CB ALA A 52 4.693 8.135 1.738 1.00 0.00 C ATOM 0 H ALA A 52 2.385 8.161 0.143 1.00 0.00 H new ATOM 0 HA ALA A 52 4.194 6.110 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.161 7.885 2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.456 8.190 0.962 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.191 9.099 1.822 1.00 0.00 H new ATOM 735 N GLY A 53 2.979 6.119 3.496 1.00 0.00 N ATOM 736 CA GLY A 53 2.068 5.907 4.607 1.00 0.00 C ATOM 737 C GLY A 53 2.729 5.197 5.770 1.00 0.00 C ATOM 738 O GLY A 53 3.935 4.949 5.752 1.00 0.00 O ATOM 0 H GLY A 53 3.865 5.618 3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.681 6.869 4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.214 5.322 4.266 1.00 0.00 H new ATOM 742 N VAL A 54 1.939 4.867 6.787 1.00 0.00 N ATOM 743 CA VAL A 54 2.454 4.181 7.965 1.00 0.00 C ATOM 744 C VAL A 54 1.962 2.739 8.018 1.00 0.00 C ATOM 745 O VAL A 54 0.782 2.466 7.792 1.00 0.00 O ATOM 746 CB VAL A 54 2.040 4.901 9.263 1.00 0.00 C ATOM 747 CG1 VAL A 54 2.720 4.267 10.468 1.00 0.00 C ATOM 748 CG2 VAL A 54 2.365 6.386 9.179 1.00 0.00 C ATOM 0 H VAL A 54 0.939 5.064 6.818 1.00 0.00 H new ATOM 0 HA VAL A 54 3.541 4.190 7.886 1.00 0.00 H new ATOM 0 HB VAL A 54 0.962 4.795 9.386 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.415 4.789 11.375 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.431 3.218 10.539 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.802 4.338 10.355 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.065 6.877 10.105 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.437 6.516 9.030 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.826 6.830 8.342 1.00 0.00 H new ATOM 758 N VAL A 55 2.872 1.818 8.318 1.00 0.00 N ATOM 759 CA VAL A 55 2.531 0.404 8.401 1.00 0.00 C ATOM 760 C VAL A 55 1.518 0.149 9.512 1.00 0.00 C ATOM 761 O VAL A 55 1.840 0.253 10.696 1.00 0.00 O ATOM 762 CB VAL A 55 3.780 -0.462 8.651 1.00 0.00 C ATOM 763 CG1 VAL A 55 3.430 -1.941 8.587 1.00 0.00 C ATOM 764 CG2 VAL A 55 4.876 -0.124 7.650 1.00 0.00 C ATOM 0 H VAL A 55 3.852 2.027 8.508 1.00 0.00 H new ATOM 0 HA VAL A 55 2.093 0.127 7.442 1.00 0.00 H new ATOM 0 HB VAL A 55 4.153 -0.244 9.652 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.326 -2.535 8.766 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.684 -2.172 9.347 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.029 -2.178 7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.750 -0.746 7.843 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.515 -0.310 6.638 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.149 0.926 7.751 1.00 0.00 H new ATOM 774 N ARG A 56 0.292 -0.187 9.124 1.00 0.00 N ATOM 775 CA ARG A 56 -0.768 -0.458 10.088 1.00 0.00 C ATOM 776 C ARG A 56 -1.017 -1.956 10.216 1.00 0.00 C ATOM 777 O ARG A 56 -1.354 -2.451 11.292 1.00 0.00 O ATOM 778 CB ARG A 56 -2.058 0.253 9.673 1.00 0.00 C ATOM 779 CG ARG A 56 -2.221 1.631 10.294 1.00 0.00 C ATOM 780 CD ARG A 56 -2.803 1.545 11.695 1.00 0.00 C ATOM 781 NE ARG A 56 -2.614 2.785 12.443 1.00 0.00 N ATOM 782 CZ ARG A 56 -3.295 3.098 13.544 1.00 0.00 C ATOM 783 NH1 ARG A 56 -4.209 2.264 14.026 1.00 0.00 N ATOM 784 NH2 ARG A 56 -3.062 4.247 14.163 1.00 0.00 N ATOM 0 H ARG A 56 0.008 -0.278 8.149 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.448 -0.078 11.058 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.077 0.348 8.587 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.910 -0.366 9.954 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.253 2.131 10.331 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.871 2.240 9.666 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.867 1.318 11.632 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.333 0.722 12.233 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.920 3.450 12.102 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.392 1.379 13.553 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.728 2.508 14.870 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.361 4.891 13.796 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.583 4.487 15.006 1.00 0.00 H new ATOM 798 N PHE A 57 -0.851 -2.675 9.111 1.00 0.00 N ATOM 799 CA PHE A 57 -1.058 -4.120 9.099 1.00 0.00 C ATOM 800 C PHE A 57 0.063 -4.825 8.345 1.00 0.00 C ATOM 801 O PHE A 57 0.741 -4.221 7.513 1.00 0.00 O ATOM 802 CB PHE A 57 -2.407 -4.455 8.461 1.00 0.00 C ATOM 803 CG PHE A 57 -3.023 -5.721 8.987 1.00 0.00 C ATOM 804 CD1 PHE A 57 -2.645 -6.953 8.478 1.00 0.00 C ATOM 805 CD2 PHE A 57 -3.977 -5.678 9.990 1.00 0.00 C ATOM 806 CE1 PHE A 57 -3.209 -8.119 8.960 1.00 0.00 C ATOM 807 CE2 PHE A 57 -4.545 -6.841 10.476 1.00 0.00 C ATOM 808 CZ PHE A 57 -4.160 -8.063 9.960 1.00 0.00 C ATOM 0 H PHE A 57 -0.574 -2.281 8.212 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.053 -4.472 10.131 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.096 -3.628 8.632 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.277 -4.545 7.382 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.902 -7.003 7.696 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.281 -4.725 10.397 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.906 -9.073 8.555 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.289 -6.794 11.258 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.602 -8.973 10.338 1.00 0.00 H new ATOM 818 N LEU A 58 0.254 -6.107 8.641 1.00 0.00 N ATOM 819 CA LEU A 58 1.293 -6.896 7.989 1.00 0.00 C ATOM 820 C LEU A 58 0.939 -8.380 8.004 1.00 0.00 C ATOM 821 O LEU A 58 0.788 -8.981 9.068 1.00 0.00 O ATOM 822 CB LEU A 58 2.639 -6.674 8.680 1.00 0.00 C ATOM 823 CG LEU A 58 3.813 -7.443 8.070 1.00 0.00 C ATOM 824 CD1 LEU A 58 4.420 -6.663 6.914 1.00 0.00 C ATOM 825 CD2 LEU A 58 4.865 -7.736 9.128 1.00 0.00 C ATOM 0 H LEU A 58 -0.297 -6.621 9.328 1.00 0.00 H new ATOM 0 HA LEU A 58 1.366 -6.569 6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.871 -5.609 8.658 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.544 -6.958 9.728 1.00 0.00 H new ATOM 0 HG LEU A 58 3.440 -8.392 7.684 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.253 -7.226 6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.664 -6.505 6.145 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.779 -5.699 7.274 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.692 -8.283 8.677 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.234 -6.798 9.544 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.424 -8.337 9.923 1.00 0.00 H new ATOM 837 N GLY A 59 0.808 -8.963 6.818 1.00 0.00 N ATOM 838 CA GLY A 59 0.473 -10.371 6.718 1.00 0.00 C ATOM 839 C GLY A 59 -0.139 -10.728 5.378 1.00 0.00 C ATOM 840 O GLY A 59 -0.364 -9.855 4.539 1.00 0.00 O ATOM 0 H GLY A 59 0.928 -8.486 5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.372 -10.967 6.874 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.224 -10.633 7.514 1.00 0.00 H new ATOM 844 N GLU A 60 -0.408 -12.013 5.174 1.00 0.00 N ATOM 845 CA GLU A 60 -0.997 -12.484 3.926 1.00 0.00 C ATOM 846 C GLU A 60 -2.364 -11.848 3.696 1.00 0.00 C ATOM 847 O GLU A 60 -2.966 -11.296 4.618 1.00 0.00 O ATOM 848 CB GLU A 60 -1.126 -14.008 3.940 1.00 0.00 C ATOM 849 CG GLU A 60 0.186 -14.731 3.683 1.00 0.00 C ATOM 850 CD GLU A 60 0.243 -16.089 4.356 1.00 0.00 C ATOM 851 OE1 GLU A 60 -0.224 -16.201 5.508 1.00 0.00 O ATOM 852 OE2 GLU A 60 0.758 -17.040 3.731 1.00 0.00 O ATOM 0 H GLU A 60 -0.227 -12.748 5.858 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.337 -12.191 3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.521 -14.322 4.906 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.852 -14.310 3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.324 -14.855 2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.012 -14.117 4.042 1.00 0.00 H new ATOM 859 N THR A 61 -2.849 -11.930 2.461 1.00 0.00 N ATOM 860 CA THR A 61 -4.146 -11.362 2.110 1.00 0.00 C ATOM 861 C THR A 61 -5.058 -12.424 1.504 1.00 0.00 C ATOM 862 O THR A 61 -4.692 -13.596 1.419 1.00 0.00 O ATOM 863 CB THR A 61 -3.970 -10.204 1.127 1.00 0.00 C ATOM 864 OG1 THR A 61 -2.829 -10.407 0.311 1.00 0.00 O ATOM 865 CG2 THR A 61 -3.814 -8.861 1.807 1.00 0.00 C ATOM 0 H THR A 61 -2.364 -12.384 1.687 1.00 0.00 H new ATOM 0 HA THR A 61 -4.610 -10.987 3.023 1.00 0.00 H new ATOM 0 HB THR A 61 -4.883 -10.189 0.532 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.021 -11.102 -0.352 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.693 -8.083 1.053 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.700 -8.651 2.406 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.936 -8.880 2.453 1.00 0.00 H new ATOM 873 N ASP A 62 -6.248 -12.006 1.084 1.00 0.00 N ATOM 874 CA ASP A 62 -7.213 -12.921 0.485 1.00 0.00 C ATOM 875 C ASP A 62 -7.400 -12.619 -0.997 1.00 0.00 C ATOM 876 O ASP A 62 -7.460 -13.530 -1.824 1.00 0.00 O ATOM 877 CB ASP A 62 -8.556 -12.825 1.211 1.00 0.00 C ATOM 878 CG ASP A 62 -8.468 -13.287 2.653 1.00 0.00 C ATOM 879 OD1 ASP A 62 -8.515 -14.513 2.887 1.00 0.00 O ATOM 880 OD2 ASP A 62 -8.353 -12.423 3.547 1.00 0.00 O ATOM 0 H ASP A 62 -6.567 -11.039 1.148 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.826 -13.935 0.585 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.908 -11.794 1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.295 -13.428 0.684 1.00 0.00 H new ATOM 885 N PHE A 63 -7.494 -11.335 -1.327 1.00 0.00 N ATOM 886 CA PHE A 63 -7.676 -10.913 -2.711 1.00 0.00 C ATOM 887 C PHE A 63 -6.467 -11.295 -3.560 1.00 0.00 C ATOM 888 O PHE A 63 -6.609 -11.712 -4.710 1.00 0.00 O ATOM 889 CB PHE A 63 -7.905 -9.402 -2.780 1.00 0.00 C ATOM 890 CG PHE A 63 -6.740 -8.595 -2.285 1.00 0.00 C ATOM 891 CD1 PHE A 63 -6.647 -8.235 -0.951 1.00 0.00 C ATOM 892 CD2 PHE A 63 -5.738 -8.197 -3.155 1.00 0.00 C ATOM 893 CE1 PHE A 63 -5.574 -7.493 -0.492 1.00 0.00 C ATOM 894 CE2 PHE A 63 -4.664 -7.453 -2.703 1.00 0.00 C ATOM 895 CZ PHE A 63 -4.581 -7.101 -1.370 1.00 0.00 C ATOM 0 H PHE A 63 -7.447 -10.569 -0.655 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.553 -11.425 -3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -8.118 -9.122 -3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.787 -9.149 -2.192 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.421 -8.537 -0.261 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.797 -8.471 -4.198 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.512 -7.220 0.551 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.890 -7.147 -3.392 1.00 0.00 H new ATOM 0 HZ PHE A 63 -3.742 -6.521 -1.015 1.00 0.00 H new ATOM 905 N ALA A 64 -5.278 -11.147 -2.985 1.00 0.00 N ATOM 906 CA ALA A 64 -4.043 -11.477 -3.688 1.00 0.00 C ATOM 907 C ALA A 64 -3.228 -12.507 -2.914 1.00 0.00 C ATOM 908 O ALA A 64 -3.092 -12.417 -1.694 1.00 0.00 O ATOM 909 CB ALA A 64 -3.220 -10.219 -3.923 1.00 0.00 C ATOM 0 H ALA A 64 -5.143 -10.801 -2.035 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.307 -11.912 -4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.301 -10.478 -4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.795 -9.515 -4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.973 -9.761 -2.965 1.00 0.00 H new ATOM 915 N LYS A 65 -2.688 -13.486 -3.632 1.00 0.00 N ATOM 916 CA LYS A 65 -1.886 -14.535 -3.012 1.00 0.00 C ATOM 917 C LYS A 65 -0.493 -14.021 -2.666 1.00 0.00 C ATOM 918 O LYS A 65 0.048 -13.152 -3.351 1.00 0.00 O ATOM 919 CB LYS A 65 -1.780 -15.743 -3.945 1.00 0.00 C ATOM 920 CG LYS A 65 -3.110 -16.432 -4.202 1.00 0.00 C ATOM 921 CD LYS A 65 -3.669 -16.079 -5.572 1.00 0.00 C ATOM 922 CE LYS A 65 -4.776 -15.041 -5.471 1.00 0.00 C ATOM 923 NZ LYS A 65 -6.122 -15.672 -5.373 1.00 0.00 N ATOM 0 H LYS A 65 -2.791 -13.575 -4.643 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.381 -14.840 -2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.358 -15.421 -4.897 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.084 -16.464 -3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.981 -17.512 -4.128 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.825 -16.143 -3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.868 -15.698 -6.206 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.055 -16.979 -6.052 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.605 -14.412 -4.597 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.743 -14.389 -6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.849 -14.931 -5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.296 -16.252 -6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.162 -16.274 -4.526 1.00 0.00 H new ATOM 937 N GLY A 66 0.085 -14.564 -1.599 1.00 0.00 N ATOM 938 CA GLY A 66 1.410 -14.147 -1.181 1.00 0.00 C ATOM 939 C GLY A 66 1.384 -13.306 0.080 1.00 0.00 C ATOM 940 O GLY A 66 0.398 -13.311 0.816 1.00 0.00 O ATOM 0 H GLY A 66 -0.341 -15.285 -1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.029 -15.029 -1.013 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.878 -13.578 -1.984 1.00 0.00 H new ATOM 944 N GLU A 67 2.470 -12.582 0.328 1.00 0.00 N ATOM 945 CA GLU A 67 2.567 -11.732 1.509 1.00 0.00 C ATOM 946 C GLU A 67 2.358 -10.267 1.143 1.00 0.00 C ATOM 947 O GLU A 67 3.019 -9.739 0.247 1.00 0.00 O ATOM 948 CB GLU A 67 3.929 -11.913 2.182 1.00 0.00 C ATOM 949 CG GLU A 67 3.864 -11.906 3.701 1.00 0.00 C ATOM 950 CD GLU A 67 5.229 -12.051 4.344 1.00 0.00 C ATOM 951 OE1 GLU A 67 6.161 -12.523 3.659 1.00 0.00 O ATOM 952 OE2 GLU A 67 5.366 -11.692 5.533 1.00 0.00 O ATOM 0 H GLU A 67 3.295 -12.567 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 67 1.783 -12.029 2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.367 -12.854 1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.597 -11.117 1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.405 -10.976 4.037 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.220 -12.719 4.037 1.00 0.00 H new ATOM 959 N TRP A 68 1.435 -9.613 1.841 1.00 0.00 N ATOM 960 CA TRP A 68 1.139 -8.208 1.590 1.00 0.00 C ATOM 961 C TRP A 68 1.268 -7.387 2.869 1.00 0.00 C ATOM 962 O TRP A 68 1.077 -7.902 3.971 1.00 0.00 O ATOM 963 CB TRP A 68 -0.270 -8.056 1.014 1.00 0.00 C ATOM 964 CG TRP A 68 -0.361 -8.415 -0.438 1.00 0.00 C ATOM 965 CD1 TRP A 68 -0.055 -9.618 -1.006 1.00 0.00 C ATOM 966 CD2 TRP A 68 -0.785 -7.562 -1.507 1.00 0.00 C ATOM 967 NE1 TRP A 68 -0.262 -9.566 -2.363 1.00 0.00 N ATOM 968 CE2 TRP A 68 -0.711 -8.314 -2.695 1.00 0.00 C ATOM 969 CE3 TRP A 68 -1.221 -6.235 -1.575 1.00 0.00 C ATOM 970 CZ2 TRP A 68 -1.057 -7.783 -3.935 1.00 0.00 C ATOM 971 CZ3 TRP A 68 -1.563 -5.710 -2.807 1.00 0.00 C ATOM 972 CH2 TRP A 68 -1.480 -6.483 -3.972 1.00 0.00 C ATOM 0 H TRP A 68 0.879 -10.034 2.585 1.00 0.00 H new ATOM 0 HA TRP A 68 1.863 -7.835 0.865 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -0.956 -8.686 1.580 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.600 -7.026 1.147 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.298 -10.485 -0.467 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -0.107 -10.333 -3.017 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -1.289 -5.632 -0.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.994 -8.376 -4.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -1.900 -4.686 -2.872 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.756 -6.043 -4.919 1.00 0.00 H new ATOM 983 N CYS A 69 1.592 -6.107 2.716 1.00 0.00 N ATOM 984 CA CYS A 69 1.746 -5.214 3.859 1.00 0.00 C ATOM 985 C CYS A 69 0.733 -4.075 3.800 1.00 0.00 C ATOM 986 O CYS A 69 0.857 -3.163 2.981 1.00 0.00 O ATOM 987 CB CYS A 69 3.165 -4.647 3.901 1.00 0.00 C ATOM 988 SG CYS A 69 3.484 -3.558 5.309 1.00 0.00 S ATOM 0 H CYS A 69 1.753 -5.665 1.811 1.00 0.00 H new ATOM 0 HA CYS A 69 1.565 -5.791 4.766 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.875 -5.474 3.927 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.352 -4.096 2.979 1.00 0.00 H new ATOM 0 HG CYS A 69 2.566 -3.736 6.212 1.00 0.00 H new ATOM 994 N GLY A 70 -0.267 -4.133 4.673 1.00 0.00 N ATOM 995 CA GLY A 70 -1.286 -3.100 4.702 1.00 0.00 C ATOM 996 C GLY A 70 -0.775 -1.798 5.287 1.00 0.00 C ATOM 997 O GLY A 70 -0.809 -1.601 6.502 1.00 0.00 O ATOM 0 H GLY A 70 -0.390 -4.876 5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.648 -2.922 3.689 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.136 -3.449 5.288 1.00 0.00 H new ATOM 1001 N VAL A 71 -0.300 -0.910 4.422 1.00 0.00 N ATOM 1002 CA VAL A 71 0.220 0.380 4.859 1.00 0.00 C ATOM 1003 C VAL A 71 -0.785 1.496 4.594 1.00 0.00 C ATOM 1004 O VAL A 71 -1.185 1.726 3.453 1.00 0.00 O ATOM 1005 CB VAL A 71 1.547 0.721 4.154 1.00 0.00 C ATOM 1006 CG1 VAL A 71 2.154 1.989 4.736 1.00 0.00 C ATOM 1007 CG2 VAL A 71 2.524 -0.442 4.260 1.00 0.00 C ATOM 0 H VAL A 71 -0.264 -1.060 3.414 1.00 0.00 H new ATOM 0 HA VAL A 71 0.398 0.301 5.931 1.00 0.00 H new ATOM 0 HB VAL A 71 1.339 0.897 3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.090 2.212 4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.460 2.819 4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.347 1.845 5.799 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.455 -0.182 3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.726 -0.653 5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.091 -1.325 3.790 1.00 0.00 H new ATOM 1017 N GLU A 72 -1.189 2.186 5.655 1.00 0.00 N ATOM 1018 CA GLU A 72 -2.147 3.279 5.536 1.00 0.00 C ATOM 1019 C GLU A 72 -1.446 4.579 5.157 1.00 0.00 C ATOM 1020 O GLU A 72 -0.451 4.962 5.773 1.00 0.00 O ATOM 1021 CB GLU A 72 -2.911 3.461 6.849 1.00 0.00 C ATOM 1022 CG GLU A 72 -4.087 4.418 6.741 1.00 0.00 C ATOM 1023 CD GLU A 72 -3.789 5.779 7.337 1.00 0.00 C ATOM 1024 OE1 GLU A 72 -2.595 6.115 7.483 1.00 0.00 O ATOM 1025 OE2 GLU A 72 -4.750 6.510 7.658 1.00 0.00 O ATOM 0 H GLU A 72 -0.868 2.008 6.607 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.853 3.025 4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.273 2.490 7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.224 3.827 7.612 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.359 4.537 5.692 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.950 3.985 7.247 1.00 0.00 H new ATOM 1032 N LEU A 73 -1.970 5.255 4.140 1.00 0.00 N ATOM 1033 CA LEU A 73 -1.395 6.512 3.679 1.00 0.00 C ATOM 1034 C LEU A 73 -2.027 7.698 4.400 1.00 0.00 C ATOM 1035 O LEU A 73 -3.200 7.656 4.775 1.00 0.00 O ATOM 1036 CB LEU A 73 -1.581 6.661 2.168 1.00 0.00 C ATOM 1037 CG LEU A 73 -1.380 5.378 1.360 1.00 0.00 C ATOM 1038 CD1 LEU A 73 -1.735 5.606 -0.101 1.00 0.00 C ATOM 1039 CD2 LEU A 73 0.054 4.886 1.492 1.00 0.00 C ATOM 0 H LEU A 73 -2.793 4.952 3.619 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.329 6.498 3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.585 7.039 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.882 7.414 1.804 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.045 4.612 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.586 4.682 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.778 5.913 -0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.096 6.387 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.180 3.972 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.737 5.650 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.274 4.683 2.540 1.00 0.00 H new ATOM 1051 N ASP A 74 -1.245 8.755 4.589 1.00 0.00 N ATOM 1052 CA ASP A 74 -1.730 9.953 5.265 1.00 0.00 C ATOM 1053 C ASP A 74 -2.521 10.835 4.304 1.00 0.00 C ATOM 1054 O ASP A 74 -3.466 11.515 4.704 1.00 0.00 O ATOM 1055 CB ASP A 74 -0.558 10.743 5.851 1.00 0.00 C ATOM 1056 CG ASP A 74 -0.897 11.372 7.189 1.00 0.00 C ATOM 1057 OD1 ASP A 74 -2.059 11.793 7.369 1.00 0.00 O ATOM 1058 OD2 ASP A 74 0.000 11.441 8.055 1.00 0.00 O ATOM 0 H ASP A 74 -0.273 8.807 4.284 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.391 9.642 6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.300 10.081 5.971 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.263 11.524 5.150 1.00 0.00 H new ATOM 1063 N GLU A 75 -2.128 10.817 3.034 1.00 0.00 N ATOM 1064 CA GLU A 75 -2.801 11.614 2.015 1.00 0.00 C ATOM 1065 C GLU A 75 -3.876 10.794 1.305 1.00 0.00 C ATOM 1066 O GLU A 75 -3.818 9.565 1.286 1.00 0.00 O ATOM 1067 CB GLU A 75 -1.787 12.137 0.995 1.00 0.00 C ATOM 1068 CG GLU A 75 -0.875 13.221 1.547 1.00 0.00 C ATOM 1069 CD GLU A 75 0.479 13.246 0.864 1.00 0.00 C ATOM 1070 OE1 GLU A 75 0.514 13.259 -0.384 1.00 0.00 O ATOM 1071 OE2 GLU A 75 1.504 13.252 1.578 1.00 0.00 O ATOM 0 H GLU A 75 -1.348 10.260 2.687 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.280 12.460 2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.177 11.305 0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.323 12.529 0.131 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.356 14.192 1.427 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.736 13.064 2.617 1.00 0.00 H new ATOM 1078 N PRO A 76 -4.875 11.467 0.710 1.00 0.00 N ATOM 1079 CA PRO A 76 -5.965 10.792 -0.003 1.00 0.00 C ATOM 1080 C PRO A 76 -5.477 10.071 -1.256 1.00 0.00 C ATOM 1081 O PRO A 76 -5.732 10.509 -2.378 1.00 0.00 O ATOM 1082 CB PRO A 76 -6.914 11.936 -0.378 1.00 0.00 C ATOM 1083 CG PRO A 76 -6.059 13.155 -0.380 1.00 0.00 C ATOM 1084 CD PRO A 76 -5.022 12.933 0.683 1.00 0.00 C ATOM 0 HA PRO A 76 -6.432 10.019 0.608 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -7.367 11.769 -1.355 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -7.729 12.026 0.340 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.594 13.304 -1.354 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.650 14.047 -0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.082 13.427 0.438 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.345 13.323 1.648 1.00 0.00 H new ATOM 1092 N LEU A 77 -4.772 8.962 -1.055 1.00 0.00 N ATOM 1093 CA LEU A 77 -4.247 8.178 -2.167 1.00 0.00 C ATOM 1094 C LEU A 77 -4.512 6.691 -1.956 1.00 0.00 C ATOM 1095 O LEU A 77 -3.740 5.843 -2.404 1.00 0.00 O ATOM 1096 CB LEU A 77 -2.746 8.423 -2.327 1.00 0.00 C ATOM 1097 CG LEU A 77 -2.366 9.823 -2.808 1.00 0.00 C ATOM 1098 CD1 LEU A 77 -1.013 10.233 -2.246 1.00 0.00 C ATOM 1099 CD2 LEU A 77 -2.350 9.877 -4.329 1.00 0.00 C ATOM 0 H LEU A 77 -4.551 8.586 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.758 8.495 -3.076 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.259 8.240 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.347 7.693 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.116 10.526 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.760 11.232 -2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.056 10.234 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.252 9.527 -2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.078 10.881 -4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.622 9.162 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.339 9.627 -4.712 1.00 0.00 H new ATOM 1111 N GLY A 78 -5.608 6.381 -1.272 1.00 0.00 N ATOM 1112 CA GLY A 78 -5.957 4.995 -1.014 1.00 0.00 C ATOM 1113 C GLY A 78 -7.257 4.590 -1.680 1.00 0.00 C ATOM 1114 O GLY A 78 -7.778 5.312 -2.529 1.00 0.00 O ATOM 0 H GLY A 78 -6.262 7.065 -0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.154 4.349 -1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.039 4.839 0.062 1.00 0.00 H new ATOM 1118 N LYS A 79 -7.781 3.432 -1.293 1.00 0.00 N ATOM 1119 CA LYS A 79 -9.028 2.931 -1.857 1.00 0.00 C ATOM 1120 C LYS A 79 -9.844 2.188 -0.804 1.00 0.00 C ATOM 1121 O LYS A 79 -11.045 2.415 -0.659 1.00 0.00 O ATOM 1122 CB LYS A 79 -8.741 2.010 -3.044 1.00 0.00 C ATOM 1123 CG LYS A 79 -9.696 2.204 -4.210 1.00 0.00 C ATOM 1124 CD LYS A 79 -9.641 1.033 -5.179 1.00 0.00 C ATOM 1125 CE LYS A 79 -11.030 0.633 -5.650 1.00 0.00 C ATOM 1126 NZ LYS A 79 -11.503 1.486 -6.773 1.00 0.00 N ATOM 0 H LYS A 79 -7.361 2.823 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.610 3.785 -2.202 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.721 2.182 -3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.794 0.974 -2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.713 2.318 -3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.446 3.125 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.027 1.300 -6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.161 0.182 -4.696 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.020 -0.410 -5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.731 0.707 -4.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.453 1.181 -7.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.538 2.479 -6.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.849 1.396 -7.577 1.00 0.00 H new ATOM 1140 N ASN A 80 -9.181 1.298 -0.070 1.00 0.00 N ATOM 1141 CA ASN A 80 -9.844 0.522 0.971 1.00 0.00 C ATOM 1142 C ASN A 80 -9.785 1.247 2.311 1.00 0.00 C ATOM 1143 O ASN A 80 -8.878 2.041 2.559 1.00 0.00 O ATOM 1144 CB ASN A 80 -9.198 -0.859 1.097 1.00 0.00 C ATOM 1145 CG ASN A 80 -9.152 -1.598 -0.226 1.00 0.00 C ATOM 1146 OD1 ASN A 80 -10.180 -2.045 -0.738 1.00 0.00 O ATOM 1147 ND2 ASN A 80 -7.957 -1.732 -0.788 1.00 0.00 N ATOM 0 H ASN A 80 -8.187 1.097 -0.178 1.00 0.00 H new ATOM 0 HA ASN A 80 -10.890 0.402 0.689 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.185 -0.749 1.484 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.754 -1.453 1.823 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.864 -2.221 -1.678 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.132 -1.346 -0.329 1.00 0.00 H new ATOM 1154 N ASP A 81 -10.758 0.969 3.172 1.00 0.00 N ATOM 1155 CA ASP A 81 -10.817 1.596 4.488 1.00 0.00 C ATOM 1156 C ASP A 81 -10.330 0.637 5.570 1.00 0.00 C ATOM 1157 O ASP A 81 -10.810 0.669 6.703 1.00 0.00 O ATOM 1158 CB ASP A 81 -12.245 2.050 4.796 1.00 0.00 C ATOM 1159 CG ASP A 81 -13.234 0.901 4.772 1.00 0.00 C ATOM 1160 OD1 ASP A 81 -13.367 0.209 5.803 1.00 0.00 O ATOM 1161 OD2 ASP A 81 -13.876 0.694 3.721 1.00 0.00 O ATOM 0 H ASP A 81 -11.516 0.314 2.983 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.161 2.467 4.478 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.269 2.526 5.776 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.549 2.803 4.069 1.00 0.00 H new ATOM 1166 N GLY A 82 -9.375 -0.216 5.211 1.00 0.00 N ATOM 1167 CA GLY A 82 -8.840 -1.172 6.163 1.00 0.00 C ATOM 1168 C GLY A 82 -9.332 -2.583 5.906 1.00 0.00 C ATOM 1169 O GLY A 82 -8.562 -3.540 5.982 1.00 0.00 O ATOM 0 H GLY A 82 -8.963 -0.262 4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.751 -1.156 6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.120 -0.871 7.172 1.00 0.00 H new ATOM 1173 N ALA A 83 -10.620 -2.712 5.604 1.00 0.00 N ATOM 1174 CA ALA A 83 -11.215 -4.016 5.336 1.00 0.00 C ATOM 1175 C ALA A 83 -11.224 -4.318 3.843 1.00 0.00 C ATOM 1176 O ALA A 83 -11.597 -3.473 3.030 1.00 0.00 O ATOM 1177 CB ALA A 83 -12.627 -4.076 5.898 1.00 0.00 C ATOM 0 H ALA A 83 -11.271 -1.930 5.539 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.607 -4.775 5.829 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.060 -5.055 5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.597 -3.913 6.975 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.238 -3.303 5.431 1.00 0.00 H new ATOM 1183 N VAL A 84 -10.811 -5.531 3.486 1.00 0.00 N ATOM 1184 CA VAL A 84 -10.773 -5.944 2.090 1.00 0.00 C ATOM 1185 C VAL A 84 -11.314 -7.359 1.919 1.00 0.00 C ATOM 1186 O VAL A 84 -11.027 -8.247 2.723 1.00 0.00 O ATOM 1187 CB VAL A 84 -9.341 -5.883 1.526 1.00 0.00 C ATOM 1188 CG1 VAL A 84 -9.348 -6.124 0.024 1.00 0.00 C ATOM 1189 CG2 VAL A 84 -8.694 -4.547 1.856 1.00 0.00 C ATOM 0 H VAL A 84 -10.498 -6.244 4.145 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.404 -5.248 1.538 1.00 0.00 H new ATOM 0 HB VAL A 84 -8.752 -6.671 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.328 -6.077 -0.357 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.768 -7.108 -0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.953 -5.360 -0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.683 -4.522 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.281 -3.740 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.653 -4.420 2.938 1.00 0.00 H new ATOM 1199 N ALA A 85 -12.100 -7.564 0.866 1.00 0.00 N ATOM 1200 CA ALA A 85 -12.682 -8.871 0.588 1.00 0.00 C ATOM 1201 C ALA A 85 -13.517 -9.367 1.765 1.00 0.00 C ATOM 1202 O ALA A 85 -13.700 -10.571 1.944 1.00 0.00 O ATOM 1203 CB ALA A 85 -11.589 -9.875 0.255 1.00 0.00 C ATOM 0 H ALA A 85 -12.348 -6.840 0.191 1.00 0.00 H new ATOM 0 HA ALA A 85 -13.343 -8.769 -0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.038 -10.847 0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.039 -9.536 -0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -10.906 -9.962 1.100 1.00 0.00 H new ATOM 1209 N GLY A 86 -14.022 -8.432 2.566 1.00 0.00 N ATOM 1210 CA GLY A 86 -14.831 -8.800 3.714 1.00 0.00 C ATOM 1211 C GLY A 86 -14.021 -8.886 4.994 1.00 0.00 C ATOM 1212 O GLY A 86 -14.558 -8.705 6.087 1.00 0.00 O ATOM 0 H GLY A 86 -13.886 -7.429 2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -15.629 -8.068 3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -15.308 -9.762 3.525 1.00 0.00 H new ATOM 1216 N THR A 87 -12.728 -9.163 4.860 1.00 0.00 N ATOM 1217 CA THR A 87 -11.846 -9.274 6.016 1.00 0.00 C ATOM 1218 C THR A 87 -11.372 -7.898 6.473 1.00 0.00 C ATOM 1219 O THR A 87 -11.010 -7.052 5.655 1.00 0.00 O ATOM 1220 CB THR A 87 -10.642 -10.156 5.684 1.00 0.00 C ATOM 1221 OG1 THR A 87 -11.008 -11.182 4.778 1.00 0.00 O ATOM 1222 CG2 THR A 87 -10.028 -10.814 6.900 1.00 0.00 C ATOM 0 H THR A 87 -12.268 -9.315 3.962 1.00 0.00 H new ATOM 0 HA THR A 87 -12.410 -9.733 6.828 1.00 0.00 H new ATOM 0 HB THR A 87 -9.904 -9.485 5.244 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.201 -11.576 4.386 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.179 -11.425 6.593 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.690 -10.047 7.597 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.772 -11.445 7.387 1.00 0.00 H new ATOM 1230 N ARG A 88 -11.376 -7.682 7.785 1.00 0.00 N ATOM 1231 CA ARG A 88 -10.945 -6.409 8.351 1.00 0.00 C ATOM 1232 C ARG A 88 -9.480 -6.470 8.772 1.00 0.00 C ATOM 1233 O ARG A 88 -8.984 -7.520 9.181 1.00 0.00 O ATOM 1234 CB ARG A 88 -11.817 -6.039 9.553 1.00 0.00 C ATOM 1235 CG ARG A 88 -11.976 -4.540 9.750 1.00 0.00 C ATOM 1236 CD ARG A 88 -13.368 -4.186 10.251 1.00 0.00 C ATOM 1237 NE ARG A 88 -14.091 -3.340 9.305 1.00 0.00 N ATOM 1238 CZ ARG A 88 -13.748 -2.084 9.022 1.00 0.00 C ATOM 1239 NH1 ARG A 88 -12.700 -1.526 9.613 1.00 0.00 N ATOM 1240 NH2 ARG A 88 -14.458 -1.386 8.147 1.00 0.00 N ATOM 0 H ARG A 88 -11.673 -8.372 8.475 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.053 -5.643 7.583 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.803 -6.487 9.428 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.382 -6.471 10.454 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -11.231 -4.185 10.462 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.786 -4.026 8.808 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.934 -5.101 10.425 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.289 -3.673 11.209 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.906 -3.733 8.834 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.152 -2.059 10.288 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.442 -0.564 9.392 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.266 -1.810 7.691 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.197 -0.424 7.929 1.00 0.00 H new ATOM 1254 N TYR A 89 -8.792 -5.337 8.670 1.00 0.00 N ATOM 1255 CA TYR A 89 -7.383 -5.263 9.040 1.00 0.00 C ATOM 1256 C TYR A 89 -7.142 -4.140 10.042 1.00 0.00 C ATOM 1257 O TYR A 89 -6.864 -4.391 11.215 1.00 0.00 O ATOM 1258 CB TYR A 89 -6.519 -5.047 7.797 1.00 0.00 C ATOM 1259 CG TYR A 89 -6.644 -6.152 6.772 1.00 0.00 C ATOM 1260 CD1 TYR A 89 -7.850 -6.389 6.123 1.00 0.00 C ATOM 1261 CD2 TYR A 89 -5.558 -6.956 6.452 1.00 0.00 C ATOM 1262 CE1 TYR A 89 -7.969 -7.399 5.186 1.00 0.00 C ATOM 1263 CE2 TYR A 89 -5.669 -7.966 5.515 1.00 0.00 C ATOM 1264 CZ TYR A 89 -6.876 -8.182 4.885 1.00 0.00 C ATOM 1265 OH TYR A 89 -6.991 -9.187 3.953 1.00 0.00 O ATOM 0 H TYR A 89 -9.187 -4.458 8.335 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.106 -6.208 9.507 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.795 -4.100 7.333 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.476 -4.961 8.101 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.708 -5.775 6.354 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.611 -6.789 6.943 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -8.914 -7.573 4.693 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.815 -8.583 5.278 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.129 -9.644 3.856 1.00 0.00 H new ATOM 1275 N PHE A 90 -7.251 -2.901 9.573 1.00 0.00 N ATOM 1276 CA PHE A 90 -7.044 -1.739 10.431 1.00 0.00 C ATOM 1277 C PHE A 90 -8.162 -0.720 10.245 1.00 0.00 C ATOM 1278 O PHE A 90 -8.339 -0.167 9.159 1.00 0.00 O ATOM 1279 CB PHE A 90 -5.692 -1.091 10.127 1.00 0.00 C ATOM 1280 CG PHE A 90 -5.486 -0.787 8.671 1.00 0.00 C ATOM 1281 CD1 PHE A 90 -5.091 -1.780 7.790 1.00 0.00 C ATOM 1282 CD2 PHE A 90 -5.688 0.495 8.183 1.00 0.00 C ATOM 1283 CE1 PHE A 90 -4.901 -1.503 6.450 1.00 0.00 C ATOM 1284 CE2 PHE A 90 -5.499 0.779 6.844 1.00 0.00 C ATOM 1285 CZ PHE A 90 -5.105 -0.221 5.977 1.00 0.00 C ATOM 0 H PHE A 90 -7.481 -2.676 8.605 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.054 -2.076 11.467 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.604 -0.167 10.699 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.896 -1.753 10.468 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.929 -2.783 8.155 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.997 1.280 8.857 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.594 -2.287 5.774 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.659 1.782 6.476 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.956 -0.001 4.930 1.00 0.00 H new ATOM 1295 N GLN A 91 -8.915 -0.474 11.313 1.00 0.00 N ATOM 1296 CA GLN A 91 -10.015 0.482 11.268 1.00 0.00 C ATOM 1297 C GLN A 91 -9.504 1.886 10.962 1.00 0.00 C ATOM 1298 O GLN A 91 -8.799 2.490 11.770 1.00 0.00 O ATOM 1299 CB GLN A 91 -10.776 0.478 12.596 1.00 0.00 C ATOM 1300 CG GLN A 91 -12.287 0.508 12.431 1.00 0.00 C ATOM 1301 CD GLN A 91 -12.778 1.793 11.794 1.00 0.00 C ATOM 1302 OE1 GLN A 91 -12.485 2.889 12.270 1.00 0.00 O ATOM 1303 NE2 GLN A 91 -13.532 1.664 10.707 1.00 0.00 N ATOM 0 H GLN A 91 -8.783 -0.923 12.219 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.693 0.182 10.469 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.498 -0.411 13.162 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.466 1.341 13.186 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.599 -0.339 11.820 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.758 0.387 13.407 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -13.751 0.736 10.345 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -13.892 2.493 10.234 1.00 0.00 H new ATOM 1312 N CYS A 92 -9.863 2.398 9.789 1.00 0.00 N ATOM 1313 CA CYS A 92 -9.440 3.730 9.375 1.00 0.00 C ATOM 1314 C CYS A 92 -10.363 4.281 8.294 1.00 0.00 C ATOM 1315 O CYS A 92 -11.047 3.526 7.604 1.00 0.00 O ATOM 1316 CB CYS A 92 -7.999 3.694 8.864 1.00 0.00 C ATOM 1317 SG CYS A 92 -7.295 5.322 8.512 1.00 0.00 S ATOM 0 H CYS A 92 -10.446 1.910 9.109 1.00 0.00 H new ATOM 0 HA CYS A 92 -9.493 4.388 10.242 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -7.375 3.194 9.605 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -7.962 3.091 7.957 1.00 0.00 H new ATOM 0 HG CYS A 92 -5.997 5.243 8.515 1.00 0.00 H new ATOM 1323 N GLN A 93 -10.376 5.602 8.150 1.00 0.00 N ATOM 1324 CA GLN A 93 -11.214 6.255 7.152 1.00 0.00 C ATOM 1325 C GLN A 93 -10.855 5.780 5.746 1.00 0.00 C ATOM 1326 O GLN A 93 -9.704 5.443 5.471 1.00 0.00 O ATOM 1327 CB GLN A 93 -11.063 7.774 7.244 1.00 0.00 C ATOM 1328 CG GLN A 93 -11.737 8.380 8.465 1.00 0.00 C ATOM 1329 CD GLN A 93 -13.017 9.117 8.118 1.00 0.00 C ATOM 1330 OE1 GLN A 93 -13.044 10.347 8.069 1.00 0.00 O ATOM 1331 NE2 GLN A 93 -14.086 8.367 7.879 1.00 0.00 N ATOM 0 H GLN A 93 -9.815 6.242 8.713 1.00 0.00 H new ATOM 0 HA GLN A 93 -12.251 5.988 7.353 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -10.002 8.025 7.263 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.482 8.227 6.346 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -11.960 7.590 9.182 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.047 9.068 8.953 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -14.018 7.351 7.931 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.975 8.807 7.643 1.00 0.00 H new ATOM 1340 N PRO A 94 -11.842 5.749 4.833 1.00 0.00 N ATOM 1341 CA PRO A 94 -11.623 5.314 3.450 1.00 0.00 C ATOM 1342 C PRO A 94 -10.719 6.269 2.680 1.00 0.00 C ATOM 1343 O PRO A 94 -10.446 7.381 3.130 1.00 0.00 O ATOM 1344 CB PRO A 94 -13.031 5.306 2.847 1.00 0.00 C ATOM 1345 CG PRO A 94 -13.813 6.250 3.692 1.00 0.00 C ATOM 1346 CD PRO A 94 -13.243 6.134 5.076 1.00 0.00 C ATOM 0 HA PRO A 94 -11.122 4.347 3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.017 5.627 1.805 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.464 4.306 2.867 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.727 7.271 3.319 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.873 5.995 3.684 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.313 7.076 5.620 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -13.770 5.385 5.667 1.00 0.00 H new ATOM 1354 N LYS A 95 -10.254 5.826 1.516 1.00 0.00 N ATOM 1355 CA LYS A 95 -9.378 6.641 0.681 1.00 0.00 C ATOM 1356 C LYS A 95 -8.085 6.977 1.417 1.00 0.00 C ATOM 1357 O LYS A 95 -7.495 8.035 1.203 1.00 0.00 O ATOM 1358 CB LYS A 95 -10.091 7.929 0.264 1.00 0.00 C ATOM 1359 CG LYS A 95 -11.286 7.696 -0.646 1.00 0.00 C ATOM 1360 CD LYS A 95 -11.084 8.332 -2.013 1.00 0.00 C ATOM 1361 CE LYS A 95 -11.567 9.773 -2.033 1.00 0.00 C ATOM 1362 NZ LYS A 95 -11.619 10.322 -3.415 1.00 0.00 N ATOM 0 H LYS A 95 -10.469 4.907 1.129 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.129 6.067 -0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.423 8.456 1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.380 8.580 -0.244 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.451 6.625 -0.764 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.183 8.107 -0.182 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.028 8.297 -2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.622 7.756 -2.766 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.558 9.830 -1.582 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.904 10.387 -1.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.953 11.306 -3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -10.669 10.292 -3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.272 9.752 -3.991 1.00 0.00 H new ATOM 1376 N TYR A 96 -7.651 6.068 2.284 1.00 0.00 N ATOM 1377 CA TYR A 96 -6.427 6.267 3.051 1.00 0.00 C ATOM 1378 C TYR A 96 -5.645 4.964 3.179 1.00 0.00 C ATOM 1379 O TYR A 96 -4.440 4.924 2.927 1.00 0.00 O ATOM 1380 CB TYR A 96 -6.755 6.816 4.440 1.00 0.00 C ATOM 1381 CG TYR A 96 -7.219 8.256 4.428 1.00 0.00 C ATOM 1382 CD1 TYR A 96 -6.411 9.262 3.917 1.00 0.00 C ATOM 1383 CD2 TYR A 96 -8.466 8.607 4.930 1.00 0.00 C ATOM 1384 CE1 TYR A 96 -6.831 10.579 3.904 1.00 0.00 C ATOM 1385 CE2 TYR A 96 -8.895 9.921 4.921 1.00 0.00 C ATOM 1386 CZ TYR A 96 -8.074 10.902 4.408 1.00 0.00 C ATOM 1387 OH TYR A 96 -8.497 12.211 4.397 1.00 0.00 O ATOM 0 H TYR A 96 -8.129 5.187 2.473 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.808 6.989 2.518 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -7.530 6.197 4.892 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.871 6.733 5.072 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.437 9.012 3.523 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.111 7.841 5.334 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -6.190 11.350 3.502 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.868 10.177 5.314 1.00 0.00 H new ATOM 0 HH TYR A 96 -9.395 12.268 4.786 1.00 0.00 H new ATOM 1397 N GLY A 97 -6.338 3.900 3.570 1.00 0.00 N ATOM 1398 CA GLY A 97 -5.692 2.610 3.724 1.00 0.00 C ATOM 1399 C GLY A 97 -5.396 1.947 2.392 1.00 0.00 C ATOM 1400 O GLY A 97 -6.296 1.752 1.576 1.00 0.00 O ATOM 0 H GLY A 97 -7.335 3.908 3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.762 2.737 4.278 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.330 1.956 4.318 1.00 0.00 H new ATOM 1404 N LEU A 98 -4.131 1.602 2.173 1.00 0.00 N ATOM 1405 CA LEU A 98 -3.719 0.960 0.930 1.00 0.00 C ATOM 1406 C LEU A 98 -2.970 -0.339 1.210 1.00 0.00 C ATOM 1407 O LEU A 98 -2.335 -0.488 2.254 1.00 0.00 O ATOM 1408 CB LEU A 98 -2.838 1.904 0.111 1.00 0.00 C ATOM 1409 CG LEU A 98 -2.528 1.433 -1.311 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -3.685 1.758 -2.243 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -1.241 2.067 -1.813 1.00 0.00 C ATOM 0 H LEU A 98 -3.374 1.756 2.839 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.616 0.724 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.327 2.876 0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.897 2.050 0.642 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.394 0.351 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.448 1.416 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.587 1.256 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.851 2.835 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.036 1.721 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.346 3.152 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.417 1.784 -1.159 1.00 0.00 H new ATOM 1423 N PHE A 99 -3.048 -1.276 0.270 1.00 0.00 N ATOM 1424 CA PHE A 99 -2.376 -2.563 0.415 1.00 0.00 C ATOM 1425 C PHE A 99 -1.439 -2.824 -0.760 1.00 0.00 C ATOM 1426 O PHE A 99 -1.814 -2.643 -1.919 1.00 0.00 O ATOM 1427 CB PHE A 99 -3.406 -3.690 0.519 1.00 0.00 C ATOM 1428 CG PHE A 99 -3.864 -3.955 1.925 1.00 0.00 C ATOM 1429 CD1 PHE A 99 -3.195 -4.866 2.726 1.00 0.00 C ATOM 1430 CD2 PHE A 99 -4.967 -3.295 2.445 1.00 0.00 C ATOM 1431 CE1 PHE A 99 -3.615 -5.112 4.019 1.00 0.00 C ATOM 1432 CE2 PHE A 99 -5.391 -3.537 3.737 1.00 0.00 C ATOM 1433 CZ PHE A 99 -4.714 -4.447 4.526 1.00 0.00 C ATOM 0 H PHE A 99 -3.570 -1.168 -0.600 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.784 -2.534 1.330 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.271 -3.439 -0.095 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.977 -4.603 0.107 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.335 -5.390 2.335 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.501 -2.583 1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.084 -5.824 4.633 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.251 -3.015 4.130 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.043 -4.638 5.537 1.00 0.00 H new ATOM 1443 N ALA A 100 -0.219 -3.250 -0.453 1.00 0.00 N ATOM 1444 CA ALA A 100 0.772 -3.535 -1.483 1.00 0.00 C ATOM 1445 C ALA A 100 1.740 -4.626 -1.027 1.00 0.00 C ATOM 1446 O ALA A 100 2.066 -4.720 0.156 1.00 0.00 O ATOM 1447 CB ALA A 100 1.533 -2.270 -1.848 1.00 0.00 C ATOM 0 H ALA A 100 0.107 -3.405 0.501 1.00 0.00 H new ATOM 0 HA ALA A 100 0.247 -3.897 -2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.270 -2.498 -2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.835 -1.521 -2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.040 -1.883 -0.964 1.00 0.00 H new ATOM 1453 N PRO A 101 2.216 -5.466 -1.965 1.00 0.00 N ATOM 1454 CA PRO A 101 3.151 -6.551 -1.647 1.00 0.00 C ATOM 1455 C PRO A 101 4.425 -6.035 -0.986 1.00 0.00 C ATOM 1456 O PRO A 101 5.001 -5.037 -1.419 1.00 0.00 O ATOM 1457 CB PRO A 101 3.474 -7.168 -3.012 1.00 0.00 C ATOM 1458 CG PRO A 101 2.358 -6.755 -3.906 1.00 0.00 C ATOM 1459 CD PRO A 101 1.881 -5.425 -3.398 1.00 0.00 C ATOM 0 HA PRO A 101 2.722 -7.260 -0.939 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.432 -6.810 -3.388 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.543 -8.254 -2.946 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.696 -6.678 -4.939 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.553 -7.490 -3.888 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.381 -4.599 -3.904 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.810 -5.295 -3.557 1.00 0.00 H new ATOM 1467 N VAL A 102 4.858 -6.719 0.068 1.00 0.00 N ATOM 1468 CA VAL A 102 6.063 -6.328 0.791 1.00 0.00 C ATOM 1469 C VAL A 102 7.262 -6.197 -0.146 1.00 0.00 C ATOM 1470 O VAL A 102 7.945 -5.173 -0.152 1.00 0.00 O ATOM 1471 CB VAL A 102 6.404 -7.331 1.912 1.00 0.00 C ATOM 1472 CG1 VAL A 102 5.422 -7.200 3.064 1.00 0.00 C ATOM 1473 CG2 VAL A 102 6.420 -8.756 1.377 1.00 0.00 C ATOM 0 H VAL A 102 4.393 -7.547 0.441 1.00 0.00 H new ATOM 0 HA VAL A 102 5.853 -5.356 1.237 1.00 0.00 H new ATOM 0 HB VAL A 102 7.402 -7.099 2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.679 -7.916 3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.469 -6.189 3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.412 -7.401 2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.663 -9.445 2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.439 -9.003 0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.170 -8.841 0.590 1.00 0.00 H new ATOM 1483 N HIS A 103 7.513 -7.237 -0.936 1.00 0.00 N ATOM 1484 CA HIS A 103 8.632 -7.232 -1.874 1.00 0.00 C ATOM 1485 C HIS A 103 8.560 -6.031 -2.816 1.00 0.00 C ATOM 1486 O HIS A 103 9.575 -5.602 -3.365 1.00 0.00 O ATOM 1487 CB HIS A 103 8.662 -8.532 -2.680 1.00 0.00 C ATOM 1488 CG HIS A 103 7.476 -8.718 -3.577 1.00 0.00 C ATOM 1489 ND1 HIS A 103 7.564 -9.142 -4.884 1.00 0.00 N ATOM 1490 CD2 HIS A 103 6.155 -8.535 -3.331 1.00 0.00 C ATOM 1491 CE1 HIS A 103 6.321 -9.202 -5.381 1.00 0.00 C ATOM 1492 NE2 HIS A 103 5.429 -8.844 -4.479 1.00 0.00 N ATOM 0 H HIS A 103 6.958 -8.093 -0.946 1.00 0.00 H new ATOM 0 HA HIS A 103 9.551 -7.154 -1.294 1.00 0.00 H new ATOM 0 HB2 HIS A 103 9.569 -8.552 -3.284 1.00 0.00 H new ATOM 0 HB3 HIS A 103 8.719 -9.374 -1.990 1.00 0.00 H new ATOM 0 HD1 HIS A 103 8.423 -9.370 -5.385 1.00 0.00 H new ATOM 0 HD2 HIS A 103 5.733 -8.203 -2.394 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.081 -9.504 -6.390 1.00 0.00 H new ATOM 1500 N LYS A 104 7.359 -5.489 -2.994 1.00 0.00 N ATOM 1501 CA LYS A 104 7.167 -4.335 -3.864 1.00 0.00 C ATOM 1502 C LYS A 104 7.324 -3.034 -3.082 1.00 0.00 C ATOM 1503 O LYS A 104 7.690 -2.001 -3.644 1.00 0.00 O ATOM 1504 CB LYS A 104 5.786 -4.387 -4.523 1.00 0.00 C ATOM 1505 CG LYS A 104 5.833 -4.709 -6.009 1.00 0.00 C ATOM 1506 CD LYS A 104 5.182 -6.049 -6.314 1.00 0.00 C ATOM 1507 CE LYS A 104 5.707 -6.640 -7.612 1.00 0.00 C ATOM 1508 NZ LYS A 104 7.110 -7.122 -7.478 1.00 0.00 N ATOM 0 H LYS A 104 6.507 -5.830 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 104 7.931 -4.366 -4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.179 -5.137 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.289 -3.427 -4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.326 -3.922 -6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.870 -4.723 -6.346 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.372 -6.742 -5.494 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.101 -5.923 -6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 104 5.067 -7.467 -7.919 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.655 -5.888 -8.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.724 -6.587 -8.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.433 -6.982 -6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.154 -8.133 -7.716 1.00 0.00 H new ATOM 1522 N VAL A 105 7.043 -3.091 -1.784 1.00 0.00 N ATOM 1523 CA VAL A 105 7.154 -1.918 -0.926 1.00 0.00 C ATOM 1524 C VAL A 105 8.611 -1.620 -0.588 1.00 0.00 C ATOM 1525 O VAL A 105 9.460 -2.511 -0.619 1.00 0.00 O ATOM 1526 CB VAL A 105 6.362 -2.100 0.383 1.00 0.00 C ATOM 1527 CG1 VAL A 105 6.360 -0.813 1.193 1.00 0.00 C ATOM 1528 CG2 VAL A 105 4.939 -2.555 0.087 1.00 0.00 C ATOM 0 H VAL A 105 6.737 -3.937 -1.304 1.00 0.00 H new ATOM 0 HA VAL A 105 6.733 -1.080 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 105 6.851 -2.872 0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 105 5.795 -0.963 2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.385 -0.535 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.898 -0.017 0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.394 -2.678 1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.438 -1.807 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.964 -3.505 -0.446 1.00 0.00 H new ATOM 1538 N THR A 106 8.893 -0.362 -0.264 1.00 0.00 N ATOM 1539 CA THR A 106 10.248 0.054 0.083 1.00 0.00 C ATOM 1540 C THR A 106 10.286 0.683 1.471 1.00 0.00 C ATOM 1541 O THR A 106 9.292 1.242 1.938 1.00 0.00 O ATOM 1542 CB THR A 106 10.779 1.045 -0.953 1.00 0.00 C ATOM 1543 OG1 THR A 106 10.257 0.758 -2.239 1.00 0.00 O ATOM 1544 CG2 THR A 106 12.288 1.048 -1.062 1.00 0.00 C ATOM 0 H THR A 106 8.201 0.387 -0.234 1.00 0.00 H new ATOM 0 HA THR A 106 10.883 -0.832 0.089 1.00 0.00 H new ATOM 0 HB THR A 106 10.454 2.025 -0.604 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.608 1.405 -2.886 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.597 1.773 -1.815 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.722 1.317 -0.099 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.634 0.056 -1.351 1.00 0.00 H new ATOM 1552 N LYS A 107 11.438 0.592 2.125 1.00 0.00 N ATOM 1553 CA LYS A 107 11.606 1.154 3.460 1.00 0.00 C ATOM 1554 C LYS A 107 12.284 2.519 3.394 1.00 0.00 C ATOM 1555 O LYS A 107 13.364 2.658 2.818 1.00 0.00 O ATOM 1556 CB LYS A 107 12.423 0.204 4.338 1.00 0.00 C ATOM 1557 CG LYS A 107 11.844 0.012 5.731 1.00 0.00 C ATOM 1558 CD LYS A 107 12.883 -0.531 6.700 1.00 0.00 C ATOM 1559 CE LYS A 107 12.984 0.328 7.949 1.00 0.00 C ATOM 1560 NZ LYS A 107 14.230 0.048 8.717 1.00 0.00 N ATOM 0 H LYS A 107 12.270 0.134 1.753 1.00 0.00 H new ATOM 0 HA LYS A 107 10.617 1.282 3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.490 -0.766 3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.439 0.588 4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.463 0.964 6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 107 10.998 -0.673 5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 107 12.623 -1.552 6.980 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.854 -0.573 6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.959 1.381 7.668 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.117 0.147 8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 14.261 0.654 9.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.242 -0.951 9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 15.058 0.245 8.119 1.00 0.00 H new ATOM 1574 N ILE A 108 11.644 3.523 3.984 1.00 0.00 N ATOM 1575 CA ILE A 108 12.185 4.876 3.990 1.00 0.00 C ATOM 1576 C ILE A 108 13.106 5.095 5.186 1.00 0.00 C ATOM 1577 O ILE A 108 12.755 4.769 6.320 1.00 0.00 O ATOM 1578 CB ILE A 108 11.063 5.932 4.020 1.00 0.00 C ATOM 1579 CG1 ILE A 108 10.023 5.637 2.935 1.00 0.00 C ATOM 1580 CG2 ILE A 108 11.642 7.327 3.841 1.00 0.00 C ATOM 1581 CD1 ILE A 108 8.594 5.750 3.421 1.00 0.00 C ATOM 0 H ILE A 108 10.750 3.425 4.464 1.00 0.00 H new ATOM 0 HA ILE A 108 12.756 4.991 3.069 1.00 0.00 H new ATOM 0 HB ILE A 108 10.570 5.887 4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.171 6.326 2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.188 4.631 2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 108 10.837 8.061 3.865 1.00 0.00 H new ATOM 0 HG22 ILE A 108 12.346 7.535 4.647 1.00 0.00 H new ATOM 0 HG23 ILE A 108 12.159 7.386 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.912 5.528 2.600 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.428 5.041 4.232 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.411 6.762 3.781 1.00 0.00 H new