USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=8 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 Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -124:sc= 1.39 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 9:sc= -1.31 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 87 THR OG1 : rot 88:sc= 1.16 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 CYS SG : rot 110:sc= -0.644 USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.55) 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 103 HIS : no HD1:sc= -3.42! C(o=-3.4!,f=-4.1!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 100:sc= 0.933 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 521 N LEU A 39 10.360 -5.195 7.709 1.00 0.00 N ATOM 522 CA LEU A 39 9.326 -4.207 7.993 1.00 0.00 C ATOM 523 C LEU A 39 8.586 -4.548 9.283 1.00 0.00 C ATOM 524 O LEU A 39 8.573 -5.700 9.716 1.00 0.00 O ATOM 525 CB LEU A 39 8.337 -4.125 6.829 1.00 0.00 C ATOM 526 CG LEU A 39 8.977 -4.087 5.440 1.00 0.00 C ATOM 527 CD1 LEU A 39 7.909 -4.110 4.358 1.00 0.00 C ATOM 528 CD2 LEU A 39 9.860 -2.858 5.294 1.00 0.00 C ATOM 0 HA LEU A 39 9.809 -3.238 8.119 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.666 -4.983 6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.724 -3.233 6.955 1.00 0.00 H new ATOM 0 HG LEU A 39 9.600 -4.974 5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.384 -4.082 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.318 -5.021 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.258 -3.243 4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.307 -2.847 4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.258 -1.959 5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.648 -2.885 6.046 1.00 0.00 H new ATOM 540 N LYS A 40 7.974 -3.537 9.892 1.00 0.00 N ATOM 541 CA LYS A 40 7.233 -3.729 11.134 1.00 0.00 C ATOM 542 C LYS A 40 6.074 -2.743 11.236 1.00 0.00 C ATOM 543 O LYS A 40 6.007 -1.769 10.486 1.00 0.00 O ATOM 544 CB LYS A 40 8.165 -3.564 12.336 1.00 0.00 C ATOM 545 CG LYS A 40 9.047 -2.330 12.256 1.00 0.00 C ATOM 546 CD LYS A 40 10.296 -2.481 13.107 1.00 0.00 C ATOM 547 CE LYS A 40 10.795 -1.135 13.609 1.00 0.00 C ATOM 548 NZ LYS A 40 12.169 -1.227 14.175 1.00 0.00 N ATOM 0 H LYS A 40 7.976 -2.577 9.546 1.00 0.00 H new ATOM 0 HA LYS A 40 6.825 -4.740 11.133 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.566 -3.514 13.245 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.798 -4.448 12.419 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.332 -2.152 11.219 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.484 -1.457 12.586 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.083 -3.131 13.956 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.079 -2.966 12.523 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.788 -0.417 12.789 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.113 -0.756 14.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.472 -0.289 14.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.172 -1.893 14.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.825 -1.564 13.441 1.00 0.00 H new ATOM 562 N ILE A 41 5.163 -3.003 12.168 1.00 0.00 N ATOM 563 CA ILE A 41 4.006 -2.138 12.368 1.00 0.00 C ATOM 564 C ILE A 41 4.417 -0.806 12.987 1.00 0.00 C ATOM 565 O ILE A 41 4.894 -0.759 14.121 1.00 0.00 O ATOM 566 CB ILE A 41 2.953 -2.807 13.271 1.00 0.00 C ATOM 567 CG1 ILE A 41 2.664 -4.231 12.792 1.00 0.00 C ATOM 568 CG2 ILE A 41 1.675 -1.981 13.297 1.00 0.00 C ATOM 569 CD1 ILE A 41 2.192 -4.300 11.356 1.00 0.00 C ATOM 0 H ILE A 41 5.204 -3.805 12.796 1.00 0.00 H new ATOM 0 HA ILE A 41 3.570 -1.961 11.385 1.00 0.00 H new ATOM 0 HB ILE A 41 3.349 -2.860 14.285 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.567 -4.832 12.899 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.907 -4.676 13.437 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.941 -2.467 13.939 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.893 -0.985 13.684 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.275 -1.898 12.287 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.006 -5.339 11.084 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.272 -3.726 11.248 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.958 -3.885 10.701 1.00 0.00 H new ATOM 581 N GLY A 42 4.227 0.273 12.236 1.00 0.00 N ATOM 582 CA GLY A 42 4.583 1.591 12.730 1.00 0.00 C ATOM 583 C GLY A 42 5.825 2.146 12.061 1.00 0.00 C ATOM 584 O GLY A 42 6.561 2.932 12.657 1.00 0.00 O ATOM 0 H GLY A 42 3.833 0.259 11.295 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.750 2.274 12.566 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.746 1.540 13.807 1.00 0.00 H new ATOM 588 N ASP A 43 6.060 1.735 10.818 1.00 0.00 N ATOM 589 CA ASP A 43 7.222 2.196 10.067 1.00 0.00 C ATOM 590 C ASP A 43 6.795 2.936 8.804 1.00 0.00 C ATOM 591 O ASP A 43 5.769 2.617 8.203 1.00 0.00 O ATOM 592 CB ASP A 43 8.121 1.013 9.701 1.00 0.00 C ATOM 593 CG ASP A 43 9.593 1.334 9.863 1.00 0.00 C ATOM 594 OD1 ASP A 43 10.124 2.117 9.046 1.00 0.00 O ATOM 595 OD2 ASP A 43 10.217 0.803 10.806 1.00 0.00 O ATOM 0 H ASP A 43 5.461 1.084 10.310 1.00 0.00 H new ATOM 0 HA ASP A 43 7.781 2.886 10.699 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.867 0.159 10.329 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.928 0.719 8.669 1.00 0.00 H new ATOM 600 N ARG A 44 7.587 3.926 8.407 1.00 0.00 N ATOM 601 CA ARG A 44 7.291 4.713 7.216 1.00 0.00 C ATOM 602 C ARG A 44 7.862 4.049 5.968 1.00 0.00 C ATOM 603 O ARG A 44 9.074 3.867 5.849 1.00 0.00 O ATOM 604 CB ARG A 44 7.856 6.127 7.359 1.00 0.00 C ATOM 605 CG ARG A 44 7.105 6.983 8.365 1.00 0.00 C ATOM 606 CD ARG A 44 7.727 8.364 8.497 1.00 0.00 C ATOM 607 NE ARG A 44 6.804 9.327 9.093 1.00 0.00 N ATOM 608 CZ ARG A 44 6.975 10.646 9.046 1.00 0.00 C ATOM 609 NH1 ARG A 44 8.033 11.163 8.432 1.00 0.00 N ATOM 610 NH2 ARG A 44 6.089 11.450 9.615 1.00 0.00 N ATOM 0 H ARG A 44 8.440 4.203 8.893 1.00 0.00 H new ATOM 0 HA ARG A 44 6.208 4.771 7.111 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.902 6.063 7.658 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.832 6.619 6.387 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.064 7.080 8.056 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.105 6.489 9.336 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.627 8.299 9.108 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.035 8.718 7.513 1.00 0.00 H new ATOM 0 HE ARG A 44 5.980 8.967 9.574 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.719 10.549 7.994 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.160 12.175 8.399 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.275 11.058 10.089 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.220 12.461 9.579 1.00 0.00 H new ATOM 624 N VAL A 45 6.983 3.688 5.038 1.00 0.00 N ATOM 625 CA VAL A 45 7.401 3.044 3.799 1.00 0.00 C ATOM 626 C VAL A 45 7.042 3.900 2.588 1.00 0.00 C ATOM 627 O VAL A 45 6.249 4.836 2.690 1.00 0.00 O ATOM 628 CB VAL A 45 6.753 1.656 3.640 1.00 0.00 C ATOM 629 CG1 VAL A 45 7.393 0.656 4.589 1.00 0.00 C ATOM 630 CG2 VAL A 45 5.252 1.738 3.872 1.00 0.00 C ATOM 0 H VAL A 45 5.976 3.831 5.120 1.00 0.00 H new ATOM 0 HA VAL A 45 8.483 2.927 3.853 1.00 0.00 H new ATOM 0 HB VAL A 45 6.921 1.311 2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.922 -0.319 4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.458 0.576 4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.259 0.993 5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.811 0.748 3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.059 2.105 4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.808 2.420 3.147 1.00 0.00 H new ATOM 640 N LEU A 46 7.632 3.572 1.444 1.00 0.00 N ATOM 641 CA LEU A 46 7.375 4.310 0.213 1.00 0.00 C ATOM 642 C LEU A 46 7.358 3.373 -0.990 1.00 0.00 C ATOM 643 O LEU A 46 8.333 2.668 -1.254 1.00 0.00 O ATOM 644 CB LEU A 46 8.433 5.398 0.014 1.00 0.00 C ATOM 645 CG LEU A 46 8.262 6.245 -1.249 1.00 0.00 C ATOM 646 CD1 LEU A 46 6.868 6.851 -1.300 1.00 0.00 C ATOM 647 CD2 LEU A 46 9.321 7.336 -1.304 1.00 0.00 C ATOM 0 H LEU A 46 8.291 2.800 1.343 1.00 0.00 H new ATOM 0 HA LEU A 46 6.395 4.779 0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.420 6.059 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.416 4.927 -0.013 1.00 0.00 H new ATOM 0 HG LEU A 46 8.387 5.599 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.765 7.450 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.125 6.054 -1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.714 7.484 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.185 7.929 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.226 7.980 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.312 6.881 -1.314 1.00 0.00 H new ATOM 659 N VAL A 47 6.245 3.369 -1.716 1.00 0.00 N ATOM 660 CA VAL A 47 6.102 2.517 -2.891 1.00 0.00 C ATOM 661 C VAL A 47 5.834 3.348 -4.142 1.00 0.00 C ATOM 662 O VAL A 47 4.817 4.034 -4.239 1.00 0.00 O ATOM 663 CB VAL A 47 4.962 1.495 -2.706 1.00 0.00 C ATOM 664 CG1 VAL A 47 3.627 2.204 -2.529 1.00 0.00 C ATOM 665 CG2 VAL A 47 4.910 0.530 -3.882 1.00 0.00 C ATOM 0 H VAL A 47 5.429 3.946 -1.511 1.00 0.00 H new ATOM 0 HA VAL A 47 7.043 1.980 -3.013 1.00 0.00 H new ATOM 0 HB VAL A 47 5.162 0.919 -1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.837 1.465 -2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.670 2.846 -1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.417 2.810 -3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.099 -0.183 -3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.738 1.087 -4.803 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.856 -0.007 -3.954 1.00 0.00 H new ATOM 675 N GLY A 48 6.754 3.280 -5.099 1.00 0.00 N ATOM 676 CA GLY A 48 6.600 4.029 -6.331 1.00 0.00 C ATOM 677 C GLY A 48 7.350 5.346 -6.308 1.00 0.00 C ATOM 678 O GLY A 48 7.761 5.853 -7.352 1.00 0.00 O ATOM 0 H GLY A 48 7.604 2.719 -5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.957 3.426 -7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.541 4.221 -6.506 1.00 0.00 H new ATOM 682 N GLY A 49 7.529 5.902 -5.114 1.00 0.00 N ATOM 683 CA GLY A 49 8.234 7.164 -4.982 1.00 0.00 C ATOM 684 C GLY A 49 7.293 8.350 -4.913 1.00 0.00 C ATOM 685 O GLY A 49 7.650 9.458 -5.313 1.00 0.00 O ATOM 0 H GLY A 49 7.199 5.502 -4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.850 7.140 -4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.910 7.289 -5.828 1.00 0.00 H new ATOM 689 N THR A 50 6.087 8.117 -4.404 1.00 0.00 N ATOM 690 CA THR A 50 5.092 9.175 -4.283 1.00 0.00 C ATOM 691 C THR A 50 4.203 8.950 -3.064 1.00 0.00 C ATOM 692 O THR A 50 3.967 9.867 -2.278 1.00 0.00 O ATOM 693 CB THR A 50 4.234 9.243 -5.548 1.00 0.00 C ATOM 694 OG1 THR A 50 4.963 8.782 -6.672 1.00 0.00 O ATOM 695 CG2 THR A 50 3.739 10.638 -5.861 1.00 0.00 C ATOM 0 H THR A 50 5.776 7.205 -4.069 1.00 0.00 H new ATOM 0 HA THR A 50 5.618 10.121 -4.157 1.00 0.00 H new ATOM 0 HB THR A 50 3.372 8.607 -5.348 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.398 8.831 -7.471 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.137 10.615 -6.770 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.132 11.003 -5.033 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.591 11.302 -6.006 1.00 0.00 H new ATOM 703 N LYS A 51 3.714 7.724 -2.913 1.00 0.00 N ATOM 704 CA LYS A 51 2.851 7.378 -1.790 1.00 0.00 C ATOM 705 C LYS A 51 3.671 6.856 -0.614 1.00 0.00 C ATOM 706 O LYS A 51 4.320 5.814 -0.711 1.00 0.00 O ATOM 707 CB LYS A 51 1.822 6.328 -2.214 1.00 0.00 C ATOM 708 CG LYS A 51 0.993 6.743 -3.419 1.00 0.00 C ATOM 709 CD LYS A 51 -0.450 6.283 -3.288 1.00 0.00 C ATOM 710 CE LYS A 51 -1.020 5.844 -4.627 1.00 0.00 C ATOM 711 NZ LYS A 51 -2.167 4.909 -4.463 1.00 0.00 N ATOM 0 H LYS A 51 3.901 6.953 -3.554 1.00 0.00 H new ATOM 0 HA LYS A 51 2.329 8.281 -1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.339 5.396 -2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.155 6.126 -1.376 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.022 7.827 -3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.429 6.322 -4.325 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.506 5.457 -2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.056 7.093 -2.882 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.344 6.720 -5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.239 5.360 -5.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.527 4.633 -5.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.853 4.061 -3.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.924 5.379 -3.926 1.00 0.00 H new ATOM 725 N ALA A 52 3.635 7.586 0.495 1.00 0.00 N ATOM 726 CA ALA A 52 4.375 7.198 1.691 1.00 0.00 C ATOM 727 C ALA A 52 3.487 7.261 2.929 1.00 0.00 C ATOM 728 O ALA A 52 3.117 8.343 3.385 1.00 0.00 O ATOM 729 CB ALA A 52 5.598 8.086 1.867 1.00 0.00 C ATOM 0 H ALA A 52 3.101 8.450 0.591 1.00 0.00 H new ATOM 0 HA ALA A 52 4.706 6.167 1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.140 7.785 2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.249 7.986 0.998 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.282 9.125 1.966 1.00 0.00 H new ATOM 735 N GLY A 53 3.147 6.094 3.468 1.00 0.00 N ATOM 736 CA GLY A 53 2.305 6.040 4.649 1.00 0.00 C ATOM 737 C GLY A 53 2.900 5.180 5.747 1.00 0.00 C ATOM 738 O GLY A 53 4.000 4.647 5.600 1.00 0.00 O ATOM 0 H GLY A 53 3.439 5.186 3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.150 7.050 5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.325 5.648 4.375 1.00 0.00 H new ATOM 742 N VAL A 54 2.172 5.048 6.851 1.00 0.00 N ATOM 743 CA VAL A 54 2.634 4.248 7.979 1.00 0.00 C ATOM 744 C VAL A 54 2.012 2.856 7.958 1.00 0.00 C ATOM 745 O VAL A 54 0.804 2.709 7.765 1.00 0.00 O ATOM 746 CB VAL A 54 2.302 4.925 9.322 1.00 0.00 C ATOM 747 CG1 VAL A 54 2.962 4.183 10.473 1.00 0.00 C ATOM 748 CG2 VAL A 54 2.730 6.385 9.304 1.00 0.00 C ATOM 0 H VAL A 54 1.260 5.484 6.988 1.00 0.00 H new ATOM 0 HA VAL A 54 3.716 4.161 7.882 1.00 0.00 H new ATOM 0 HB VAL A 54 1.223 4.888 9.469 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.716 4.677 11.413 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.601 3.155 10.498 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.043 4.185 10.335 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.488 6.847 10.261 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.805 6.447 9.133 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.205 6.908 8.505 1.00 0.00 H new ATOM 758 N VAL A 55 2.842 1.839 8.157 1.00 0.00 N ATOM 759 CA VAL A 55 2.373 0.459 8.160 1.00 0.00 C ATOM 760 C VAL A 55 1.372 0.223 9.286 1.00 0.00 C ATOM 761 O VAL A 55 1.570 0.679 10.413 1.00 0.00 O ATOM 762 CB VAL A 55 3.541 -0.532 8.312 1.00 0.00 C ATOM 763 CG1 VAL A 55 3.060 -1.961 8.113 1.00 0.00 C ATOM 764 CG2 VAL A 55 4.656 -0.197 7.333 1.00 0.00 C ATOM 0 H VAL A 55 3.844 1.944 8.318 1.00 0.00 H new ATOM 0 HA VAL A 55 1.885 0.289 7.200 1.00 0.00 H new ATOM 0 HB VAL A 55 3.937 -0.444 9.324 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.900 -2.647 8.224 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.299 -2.196 8.857 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.636 -2.066 7.115 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.473 -0.908 7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.274 -0.254 6.314 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.021 0.812 7.528 1.00 0.00 H new ATOM 774 N ARG A 56 0.296 -0.492 8.974 1.00 0.00 N ATOM 775 CA ARG A 56 -0.736 -0.789 9.960 1.00 0.00 C ATOM 776 C ARG A 56 -0.899 -2.295 10.141 1.00 0.00 C ATOM 777 O ARG A 56 -0.919 -2.797 11.264 1.00 0.00 O ATOM 778 CB ARG A 56 -2.070 -0.169 9.537 1.00 0.00 C ATOM 779 CG ARG A 56 -1.952 1.279 9.085 1.00 0.00 C ATOM 780 CD ARG A 56 -2.442 2.241 10.154 1.00 0.00 C ATOM 781 NE ARG A 56 -1.569 2.250 11.325 1.00 0.00 N ATOM 782 CZ ARG A 56 -1.543 3.231 12.224 1.00 0.00 C ATOM 783 NH1 ARG A 56 -2.340 4.285 12.090 1.00 0.00 N ATOM 784 NH2 ARG A 56 -0.718 3.159 13.260 1.00 0.00 N ATOM 0 H ARG A 56 0.116 -0.876 8.046 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.427 -0.357 10.912 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.495 -0.761 8.726 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.768 -0.225 10.372 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.913 1.502 8.843 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.530 1.424 8.172 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.500 3.247 9.737 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.451 1.963 10.457 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.942 1.457 11.462 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.976 4.345 11.295 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.316 5.034 12.782 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.104 2.352 13.368 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.698 3.911 13.949 1.00 0.00 H new ATOM 798 N PHE A 57 -1.015 -3.010 9.027 1.00 0.00 N ATOM 799 CA PHE A 57 -1.174 -4.460 9.060 1.00 0.00 C ATOM 800 C PHE A 57 -0.056 -5.148 8.286 1.00 0.00 C ATOM 801 O PHE A 57 0.556 -4.553 7.400 1.00 0.00 O ATOM 802 CB PHE A 57 -2.532 -4.857 8.479 1.00 0.00 C ATOM 803 CG PHE A 57 -2.908 -6.285 8.752 1.00 0.00 C ATOM 804 CD1 PHE A 57 -2.425 -7.308 7.953 1.00 0.00 C ATOM 805 CD2 PHE A 57 -3.746 -6.605 9.809 1.00 0.00 C ATOM 806 CE1 PHE A 57 -2.769 -8.623 8.202 1.00 0.00 C ATOM 807 CE2 PHE A 57 -4.094 -7.918 10.064 1.00 0.00 C ATOM 808 CZ PHE A 57 -3.604 -8.928 9.259 1.00 0.00 C ATOM 0 H PHE A 57 -1.002 -2.609 8.089 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.122 -4.783 10.100 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.300 -4.203 8.892 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.519 -4.693 7.401 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.772 -7.075 7.125 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.132 -5.819 10.441 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.385 -9.411 7.571 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.748 -8.154 10.891 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.874 -9.955 9.456 1.00 0.00 H new ATOM 818 N LEU A 58 0.206 -6.405 8.628 1.00 0.00 N ATOM 819 CA LEU A 58 1.252 -7.176 7.965 1.00 0.00 C ATOM 820 C LEU A 58 0.912 -8.663 7.958 1.00 0.00 C ATOM 821 O LEU A 58 1.087 -9.355 8.961 1.00 0.00 O ATOM 822 CB LEU A 58 2.598 -6.952 8.658 1.00 0.00 C ATOM 823 CG LEU A 58 3.769 -7.739 8.068 1.00 0.00 C ATOM 824 CD1 LEU A 58 3.973 -7.374 6.606 1.00 0.00 C ATOM 825 CD2 LEU A 58 5.038 -7.482 8.866 1.00 0.00 C ATOM 0 H LEU A 58 -0.291 -6.912 9.360 1.00 0.00 H new ATOM 0 HA LEU A 58 1.321 -6.833 6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.837 -5.889 8.618 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.496 -7.216 9.710 1.00 0.00 H new ATOM 0 HG LEU A 58 3.536 -8.802 8.127 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.810 -7.943 6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.070 -7.608 6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.186 -6.308 6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.861 -8.050 8.433 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.276 -6.419 8.838 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.887 -7.793 9.900 1.00 0.00 H new ATOM 837 N GLY A 59 0.422 -9.147 6.821 1.00 0.00 N ATOM 838 CA GLY A 59 0.064 -10.549 6.707 1.00 0.00 C ATOM 839 C GLY A 59 -0.162 -10.974 5.269 1.00 0.00 C ATOM 840 O GLY A 59 0.619 -10.630 4.383 1.00 0.00 O ATOM 0 H GLY A 59 0.267 -8.594 5.978 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.855 -11.159 7.143 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.840 -10.738 7.285 1.00 0.00 H new ATOM 844 N GLU A 60 -1.234 -11.726 5.039 1.00 0.00 N ATOM 845 CA GLU A 60 -1.560 -12.200 3.700 1.00 0.00 C ATOM 846 C GLU A 60 -2.835 -11.539 3.184 1.00 0.00 C ATOM 847 O GLU A 60 -3.584 -10.930 3.948 1.00 0.00 O ATOM 848 CB GLU A 60 -1.725 -13.721 3.701 1.00 0.00 C ATOM 849 CG GLU A 60 -0.416 -14.475 3.535 1.00 0.00 C ATOM 850 CD GLU A 60 -0.523 -15.623 2.552 1.00 0.00 C ATOM 851 OE1 GLU A 60 -1.037 -15.402 1.435 1.00 0.00 O ATOM 852 OE2 GLU A 60 -0.092 -16.744 2.897 1.00 0.00 O ATOM 0 H GLU A 60 -1.891 -12.020 5.762 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.738 -11.931 3.036 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.195 -14.027 4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.403 -14.005 2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.356 -13.784 3.197 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.098 -14.860 4.504 1.00 0.00 H new ATOM 859 N THR A 61 -3.076 -11.666 1.883 1.00 0.00 N ATOM 860 CA THR A 61 -4.260 -11.083 1.263 1.00 0.00 C ATOM 861 C THR A 61 -5.180 -12.171 0.719 1.00 0.00 C ATOM 862 O THR A 61 -4.786 -13.331 0.604 1.00 0.00 O ATOM 863 CB THR A 61 -3.855 -10.131 0.137 1.00 0.00 C ATOM 864 OG1 THR A 61 -2.693 -10.601 -0.524 1.00 0.00 O ATOM 865 CG2 THR A 61 -3.572 -8.723 0.615 1.00 0.00 C ATOM 0 H THR A 61 -2.466 -12.168 1.237 1.00 0.00 H new ATOM 0 HA THR A 61 -4.801 -10.523 2.026 1.00 0.00 H new ATOM 0 HB THR A 61 -4.710 -10.103 -0.538 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.002 -9.906 -0.505 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.290 -8.100 -0.234 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.465 -8.312 1.086 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.756 -8.741 1.338 1.00 0.00 H new ATOM 873 N ASP A 62 -6.408 -11.788 0.384 1.00 0.00 N ATOM 874 CA ASP A 62 -7.383 -12.731 -0.149 1.00 0.00 C ATOM 875 C ASP A 62 -7.401 -12.691 -1.674 1.00 0.00 C ATOM 876 O ASP A 62 -7.457 -13.731 -2.331 1.00 0.00 O ATOM 877 CB ASP A 62 -8.778 -12.420 0.397 1.00 0.00 C ATOM 878 CG ASP A 62 -9.107 -13.229 1.637 1.00 0.00 C ATOM 879 OD1 ASP A 62 -8.774 -12.771 2.750 1.00 0.00 O ATOM 880 OD2 ASP A 62 -9.696 -14.320 1.494 1.00 0.00 O ATOM 0 H ASP A 62 -6.751 -10.831 0.472 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.092 -13.733 0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.845 -11.358 0.631 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.521 -12.624 -0.374 1.00 0.00 H new ATOM 885 N PHE A 63 -7.354 -11.485 -2.230 1.00 0.00 N ATOM 886 CA PHE A 63 -7.363 -11.310 -3.678 1.00 0.00 C ATOM 887 C PHE A 63 -6.008 -11.671 -4.277 1.00 0.00 C ATOM 888 O PHE A 63 -5.931 -12.248 -5.362 1.00 0.00 O ATOM 889 CB PHE A 63 -7.722 -9.867 -4.036 1.00 0.00 C ATOM 890 CG PHE A 63 -6.804 -8.850 -3.421 1.00 0.00 C ATOM 891 CD1 PHE A 63 -5.629 -8.484 -4.057 1.00 0.00 C ATOM 892 CD2 PHE A 63 -7.116 -8.260 -2.206 1.00 0.00 C ATOM 893 CE1 PHE A 63 -4.782 -7.550 -3.492 1.00 0.00 C ATOM 894 CE2 PHE A 63 -6.273 -7.325 -1.637 1.00 0.00 C ATOM 895 CZ PHE A 63 -5.104 -6.968 -2.282 1.00 0.00 C ATOM 0 H PHE A 63 -7.309 -10.615 -1.700 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.116 -11.979 -4.095 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.702 -9.754 -5.120 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.743 -9.665 -3.714 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.372 -8.934 -5.005 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.029 -8.534 -1.698 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.868 -7.275 -3.997 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.527 -6.874 -0.689 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.444 -6.236 -1.841 1.00 0.00 H new ATOM 905 N ALA A 64 -4.940 -11.327 -3.564 1.00 0.00 N ATOM 906 CA ALA A 64 -3.588 -11.613 -4.025 1.00 0.00 C ATOM 907 C ALA A 64 -2.934 -12.696 -3.172 1.00 0.00 C ATOM 908 O ALA A 64 -3.305 -12.896 -2.016 1.00 0.00 O ATOM 909 CB ALA A 64 -2.746 -10.346 -4.010 1.00 0.00 C ATOM 0 H ALA A 64 -4.986 -10.849 -2.664 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.650 -11.982 -5.049 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.738 -10.575 -4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.196 -9.602 -4.668 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.700 -9.952 -2.995 1.00 0.00 H new ATOM 915 N LYS A 65 -1.959 -13.389 -3.750 1.00 0.00 N ATOM 916 CA LYS A 65 -1.253 -14.452 -3.043 1.00 0.00 C ATOM 917 C LYS A 65 0.101 -13.964 -2.541 1.00 0.00 C ATOM 918 O LYS A 65 0.579 -12.902 -2.942 1.00 0.00 O ATOM 919 CB LYS A 65 -1.062 -15.663 -3.958 1.00 0.00 C ATOM 920 CG LYS A 65 -2.348 -16.422 -4.242 1.00 0.00 C ATOM 921 CD LYS A 65 -2.100 -17.920 -4.339 1.00 0.00 C ATOM 922 CE LYS A 65 -2.904 -18.545 -5.467 1.00 0.00 C ATOM 923 NZ LYS A 65 -2.290 -19.812 -5.952 1.00 0.00 N ATOM 0 H LYS A 65 -1.639 -13.234 -4.706 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.856 -14.745 -2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.631 -15.330 -4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.342 -16.343 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.072 -16.222 -3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.786 -16.063 -5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.038 -18.104 -4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.365 -18.396 -3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.919 -18.742 -5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.979 -17.839 -6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.869 -20.206 -6.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.330 -19.620 -6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.241 -20.496 -5.170 1.00 0.00 H new ATOM 937 N GLY A 66 0.717 -14.746 -1.660 1.00 0.00 N ATOM 938 CA GLY A 66 2.012 -14.377 -1.118 1.00 0.00 C ATOM 939 C GLY A 66 1.900 -13.581 0.166 1.00 0.00 C ATOM 940 O GLY A 66 1.048 -13.865 1.009 1.00 0.00 O ATOM 0 H GLY A 66 0.343 -15.629 -1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.595 -15.279 -0.932 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.558 -13.792 -1.858 1.00 0.00 H new ATOM 944 N GLU A 67 2.763 -12.581 0.318 1.00 0.00 N ATOM 945 CA GLU A 67 2.759 -11.740 1.508 1.00 0.00 C ATOM 946 C GLU A 67 2.547 -10.276 1.139 1.00 0.00 C ATOM 947 O GLU A 67 3.365 -9.677 0.440 1.00 0.00 O ATOM 948 CB GLU A 67 4.075 -11.899 2.274 1.00 0.00 C ATOM 949 CG GLU A 67 3.917 -11.798 3.782 1.00 0.00 C ATOM 950 CD GLU A 67 5.246 -11.692 4.501 1.00 0.00 C ATOM 951 OE1 GLU A 67 6.130 -10.959 4.009 1.00 0.00 O ATOM 952 OE2 GLU A 67 5.405 -12.341 5.557 1.00 0.00 O ATOM 0 H GLU A 67 3.475 -12.334 -0.370 1.00 0.00 H new ATOM 0 HA GLU A 67 1.934 -12.059 2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.515 -12.865 2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.776 -11.134 1.938 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.308 -10.927 4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.380 -12.673 4.147 1.00 0.00 H new ATOM 959 N TRP A 68 1.444 -9.705 1.610 1.00 0.00 N ATOM 960 CA TRP A 68 1.124 -8.311 1.329 1.00 0.00 C ATOM 961 C TRP A 68 1.127 -7.482 2.610 1.00 0.00 C ATOM 962 O TRP A 68 0.805 -7.983 3.687 1.00 0.00 O ATOM 963 CB TRP A 68 -0.240 -8.208 0.645 1.00 0.00 C ATOM 964 CG TRP A 68 -0.209 -8.599 -0.802 1.00 0.00 C ATOM 965 CD1 TRP A 68 0.137 -9.815 -1.314 1.00 0.00 C ATOM 966 CD2 TRP A 68 -0.532 -7.768 -1.922 1.00 0.00 C ATOM 967 NE1 TRP A 68 0.047 -9.793 -2.685 1.00 0.00 N ATOM 968 CE2 TRP A 68 -0.362 -8.547 -3.082 1.00 0.00 C ATOM 969 CE3 TRP A 68 -0.952 -6.441 -2.057 1.00 0.00 C ATOM 970 CZ2 TRP A 68 -0.596 -8.042 -4.359 1.00 0.00 C ATOM 971 CZ3 TRP A 68 -1.183 -5.941 -3.324 1.00 0.00 C ATOM 972 CH2 TRP A 68 -1.006 -6.741 -4.461 1.00 0.00 C ATOM 0 H TRP A 68 0.756 -10.187 2.189 1.00 0.00 H new ATOM 0 HA TRP A 68 1.889 -7.916 0.661 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -0.951 -8.845 1.171 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.605 -7.184 0.730 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.438 -10.670 -0.727 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.251 -10.576 -3.306 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -1.093 -5.818 -1.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.459 -8.656 -5.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -1.505 -4.917 -3.440 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.197 -6.322 -5.438 1.00 0.00 H new ATOM 983 N CYS A 69 1.493 -6.211 2.484 1.00 0.00 N ATOM 984 CA CYS A 69 1.539 -5.311 3.632 1.00 0.00 C ATOM 985 C CYS A 69 0.521 -4.186 3.483 1.00 0.00 C ATOM 986 O CYS A 69 0.555 -3.428 2.513 1.00 0.00 O ATOM 987 CB CYS A 69 2.943 -4.727 3.791 1.00 0.00 C ATOM 988 SG CYS A 69 3.233 -3.926 5.386 1.00 0.00 S ATOM 0 H CYS A 69 1.762 -5.780 1.599 1.00 0.00 H new ATOM 0 HA CYS A 69 1.289 -5.886 4.524 1.00 0.00 H new ATOM 0 HB2 CYS A 69 3.674 -5.525 3.659 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.116 -4.002 2.996 1.00 0.00 H new ATOM 0 HG CYS A 69 2.233 -4.167 6.181 1.00 0.00 H new ATOM 994 N GLY A 70 -0.384 -4.081 4.451 1.00 0.00 N ATOM 995 CA GLY A 70 -1.399 -3.044 4.409 1.00 0.00 C ATOM 996 C GLY A 70 -0.937 -1.755 5.058 1.00 0.00 C ATOM 997 O GLY A 70 -0.873 -1.657 6.283 1.00 0.00 O ATOM 0 H GLY A 70 -0.433 -4.695 5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.671 -2.848 3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.298 -3.399 4.913 1.00 0.00 H new ATOM 1001 N VAL A 71 -0.612 -0.764 4.234 1.00 0.00 N ATOM 1002 CA VAL A 71 -0.152 0.526 4.734 1.00 0.00 C ATOM 1003 C VAL A 71 -1.212 1.604 4.532 1.00 0.00 C ATOM 1004 O VAL A 71 -1.870 1.654 3.493 1.00 0.00 O ATOM 1005 CB VAL A 71 1.150 0.966 4.041 1.00 0.00 C ATOM 1006 CG1 VAL A 71 1.729 2.198 4.720 1.00 0.00 C ATOM 1007 CG2 VAL A 71 2.160 -0.171 4.029 1.00 0.00 C ATOM 0 H VAL A 71 -0.659 -0.830 3.217 1.00 0.00 H new ATOM 0 HA VAL A 71 0.038 0.402 5.800 1.00 0.00 H new ATOM 0 HB VAL A 71 0.919 1.226 3.008 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.649 2.493 4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.009 3.014 4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.945 1.970 5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.074 0.159 3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.388 -0.466 5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.743 -1.022 3.490 1.00 0.00 H new ATOM 1017 N GLU A 72 -1.370 2.465 5.532 1.00 0.00 N ATOM 1018 CA GLU A 72 -2.349 3.543 5.464 1.00 0.00 C ATOM 1019 C GLU A 72 -1.691 4.847 5.023 1.00 0.00 C ATOM 1020 O GLU A 72 -0.737 5.314 5.645 1.00 0.00 O ATOM 1021 CB GLU A 72 -3.024 3.734 6.824 1.00 0.00 C ATOM 1022 CG GLU A 72 -4.088 4.819 6.827 1.00 0.00 C ATOM 1023 CD GLU A 72 -3.892 5.826 7.944 1.00 0.00 C ATOM 1024 OE1 GLU A 72 -3.269 5.466 8.966 1.00 0.00 O ATOM 1025 OE2 GLU A 72 -4.363 6.974 7.799 1.00 0.00 O ATOM 0 H GLU A 72 -0.833 2.437 6.399 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.104 3.269 4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.477 2.791 7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.264 3.979 7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.075 5.338 5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.071 4.358 6.927 1.00 0.00 H new ATOM 1032 N LEU A 73 -2.208 5.429 3.945 1.00 0.00 N ATOM 1033 CA LEU A 73 -1.670 6.680 3.421 1.00 0.00 C ATOM 1034 C LEU A 73 -2.156 7.868 4.244 1.00 0.00 C ATOM 1035 O LEU A 73 -3.076 7.742 5.053 1.00 0.00 O ATOM 1036 CB LEU A 73 -2.077 6.859 1.957 1.00 0.00 C ATOM 1037 CG LEU A 73 -1.966 5.601 1.094 1.00 0.00 C ATOM 1038 CD1 LEU A 73 -2.533 5.854 -0.293 1.00 0.00 C ATOM 1039 CD2 LEU A 73 -0.517 5.145 1.006 1.00 0.00 C ATOM 0 H LEU A 73 -2.997 5.055 3.418 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.583 6.636 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.107 7.214 1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.456 7.639 1.516 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.549 4.808 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.445 4.948 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.583 6.135 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.978 6.661 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.454 4.249 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.087 5.936 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.144 4.923 2.006 1.00 0.00 H new ATOM 1051 N ASP A 74 -1.531 9.022 4.034 1.00 0.00 N ATOM 1052 CA ASP A 74 -1.900 10.234 4.757 1.00 0.00 C ATOM 1053 C ASP A 74 -2.926 11.044 3.971 1.00 0.00 C ATOM 1054 O ASP A 74 -3.872 11.587 4.544 1.00 0.00 O ATOM 1055 CB ASP A 74 -0.659 11.087 5.029 1.00 0.00 C ATOM 1056 CG ASP A 74 0.460 10.291 5.671 1.00 0.00 C ATOM 1057 OD1 ASP A 74 0.312 9.903 6.849 1.00 0.00 O ATOM 1058 OD2 ASP A 74 1.485 10.058 4.997 1.00 0.00 O ATOM 0 H ASP A 74 -0.767 9.144 3.369 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.346 9.940 5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.304 11.517 4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.929 11.919 5.679 1.00 0.00 H new ATOM 1063 N GLU A 75 -2.734 11.120 2.659 1.00 0.00 N ATOM 1064 CA GLU A 75 -3.643 11.863 1.795 1.00 0.00 C ATOM 1065 C GLU A 75 -4.733 10.950 1.236 1.00 0.00 C ATOM 1066 O GLU A 75 -4.572 9.731 1.195 1.00 0.00 O ATOM 1067 CB GLU A 75 -2.870 12.515 0.646 1.00 0.00 C ATOM 1068 CG GLU A 75 -2.408 13.931 0.952 1.00 0.00 C ATOM 1069 CD GLU A 75 -2.616 14.875 -0.215 1.00 0.00 C ATOM 1070 OE1 GLU A 75 -3.743 14.919 -0.751 1.00 0.00 O ATOM 1071 OE2 GLU A 75 -1.651 15.573 -0.594 1.00 0.00 O ATOM 0 H GLU A 75 -1.957 10.676 2.170 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.117 12.641 2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.001 11.901 0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.501 12.531 -0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.950 14.307 1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.351 13.915 1.218 1.00 0.00 H new ATOM 1078 N PRO A 76 -5.862 11.532 0.797 1.00 0.00 N ATOM 1079 CA PRO A 76 -6.981 10.765 0.240 1.00 0.00 C ATOM 1080 C PRO A 76 -6.651 10.172 -1.127 1.00 0.00 C ATOM 1081 O PRO A 76 -7.281 10.508 -2.131 1.00 0.00 O ATOM 1082 CB PRO A 76 -8.098 11.803 0.120 1.00 0.00 C ATOM 1083 CG PRO A 76 -7.391 13.107 -0.011 1.00 0.00 C ATOM 1084 CD PRO A 76 -6.137 12.982 0.809 1.00 0.00 C ATOM 0 HA PRO A 76 -7.243 9.911 0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -8.730 11.606 -0.746 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -8.746 11.790 0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -7.156 13.320 -1.054 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -8.013 13.926 0.350 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.315 13.550 0.374 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.281 13.355 1.823 1.00 0.00 H new ATOM 1092 N LEU A 77 -5.659 9.289 -1.159 1.00 0.00 N ATOM 1093 CA LEU A 77 -5.244 8.649 -2.402 1.00 0.00 C ATOM 1094 C LEU A 77 -5.616 7.170 -2.405 1.00 0.00 C ATOM 1095 O LEU A 77 -5.883 6.589 -3.457 1.00 0.00 O ATOM 1096 CB LEU A 77 -3.736 8.808 -2.604 1.00 0.00 C ATOM 1097 CG LEU A 77 -3.266 10.238 -2.878 1.00 0.00 C ATOM 1098 CD1 LEU A 77 -1.750 10.327 -2.798 1.00 0.00 C ATOM 1099 CD2 LEU A 77 -3.759 10.708 -4.238 1.00 0.00 C ATOM 0 H LEU A 77 -5.127 9.000 -0.338 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.767 9.138 -3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.225 8.438 -1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.428 8.175 -3.436 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.687 10.892 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.435 11.352 -2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.420 10.032 -1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.307 9.662 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.416 11.727 -4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.366 10.051 -5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.849 10.683 -4.259 1.00 0.00 H new ATOM 1111 N GLY A 78 -5.630 6.566 -1.221 1.00 0.00 N ATOM 1112 CA GLY A 78 -5.969 5.159 -1.109 1.00 0.00 C ATOM 1113 C GLY A 78 -7.354 4.852 -1.646 1.00 0.00 C ATOM 1114 O GLY A 78 -8.092 5.758 -2.035 1.00 0.00 O ATOM 0 H GLY A 78 -5.413 7.026 -0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.233 4.567 -1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -5.913 4.857 -0.063 1.00 0.00 H new ATOM 1118 N LYS A 79 -7.706 3.571 -1.670 1.00 0.00 N ATOM 1119 CA LYS A 79 -9.011 3.146 -2.164 1.00 0.00 C ATOM 1120 C LYS A 79 -9.771 2.369 -1.094 1.00 0.00 C ATOM 1121 O LYS A 79 -10.971 2.571 -0.901 1.00 0.00 O ATOM 1122 CB LYS A 79 -8.849 2.284 -3.418 1.00 0.00 C ATOM 1123 CG LYS A 79 -8.867 3.082 -4.711 1.00 0.00 C ATOM 1124 CD LYS A 79 -7.465 3.493 -5.131 1.00 0.00 C ATOM 1125 CE LYS A 79 -7.459 4.872 -5.771 1.00 0.00 C ATOM 1126 NZ LYS A 79 -6.460 4.969 -6.872 1.00 0.00 N ATOM 0 H LYS A 79 -7.106 2.809 -1.353 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.584 4.038 -2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.910 1.735 -3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.649 1.544 -3.446 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.325 2.487 -5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.485 3.971 -4.583 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.808 3.491 -4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.065 2.762 -5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.452 5.096 -6.161 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.238 5.623 -5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.487 5.924 -7.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.509 4.781 -6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.686 4.270 -7.608 1.00 0.00 H new ATOM 1140 N ASN A 80 -9.067 1.481 -0.402 1.00 0.00 N ATOM 1141 CA ASN A 80 -9.675 0.673 0.649 1.00 0.00 C ATOM 1142 C ASN A 80 -9.630 1.399 1.989 1.00 0.00 C ATOM 1143 O ASN A 80 -8.661 2.090 2.300 1.00 0.00 O ATOM 1144 CB ASN A 80 -8.963 -0.677 0.761 1.00 0.00 C ATOM 1145 CG ASN A 80 -8.955 -1.438 -0.550 1.00 0.00 C ATOM 1146 OD1 ASN A 80 -9.797 -1.210 -1.418 1.00 0.00 O ATOM 1147 ND2 ASN A 80 -8.001 -2.348 -0.699 1.00 0.00 N ATOM 0 H ASN A 80 -8.074 1.302 -0.550 1.00 0.00 H new ATOM 0 HA ASN A 80 -10.719 0.504 0.384 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.937 -0.517 1.091 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.453 -1.281 1.525 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.945 -2.892 -1.560 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.324 -2.504 0.048 1.00 0.00 H new ATOM 1154 N ASP A 81 -10.684 1.233 2.781 1.00 0.00 N ATOM 1155 CA ASP A 81 -10.764 1.870 4.091 1.00 0.00 C ATOM 1156 C ASP A 81 -10.087 1.013 5.157 1.00 0.00 C ATOM 1157 O ASP A 81 -9.633 1.524 6.181 1.00 0.00 O ATOM 1158 CB ASP A 81 -12.225 2.116 4.472 1.00 0.00 C ATOM 1159 CG ASP A 81 -13.026 0.831 4.556 1.00 0.00 C ATOM 1160 OD1 ASP A 81 -12.948 0.020 3.610 1.00 0.00 O ATOM 1161 OD2 ASP A 81 -13.731 0.637 5.569 1.00 0.00 O ATOM 0 H ASP A 81 -11.495 0.663 2.539 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.243 2.826 4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.265 2.629 5.433 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.682 2.778 3.737 1.00 0.00 H new ATOM 1166 N GLY A 82 -10.020 -0.291 4.909 1.00 0.00 N ATOM 1167 CA GLY A 82 -9.395 -1.196 5.857 1.00 0.00 C ATOM 1168 C GLY A 82 -10.156 -2.500 6.002 1.00 0.00 C ATOM 1169 O GLY A 82 -10.355 -2.989 7.115 1.00 0.00 O ATOM 0 H GLY A 82 -10.387 -0.738 4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.376 -1.408 5.535 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.327 -0.708 6.830 1.00 0.00 H new ATOM 1173 N ALA A 83 -10.583 -3.063 4.877 1.00 0.00 N ATOM 1174 CA ALA A 83 -11.325 -4.317 4.883 1.00 0.00 C ATOM 1175 C ALA A 83 -11.273 -4.995 3.518 1.00 0.00 C ATOM 1176 O ALA A 83 -11.145 -4.330 2.490 1.00 0.00 O ATOM 1177 CB ALA A 83 -12.768 -4.074 5.298 1.00 0.00 C ATOM 0 H ALA A 83 -10.427 -2.670 3.949 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.856 -4.983 5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -13.311 -5.019 5.298 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.791 -3.642 6.299 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.238 -3.386 4.595 1.00 0.00 H new ATOM 1183 N VAL A 84 -11.372 -6.319 3.516 1.00 0.00 N ATOM 1184 CA VAL A 84 -11.335 -7.086 2.276 1.00 0.00 C ATOM 1185 C VAL A 84 -12.229 -8.318 2.366 1.00 0.00 C ATOM 1186 O VAL A 84 -11.980 -9.221 3.164 1.00 0.00 O ATOM 1187 CB VAL A 84 -9.902 -7.531 1.931 1.00 0.00 C ATOM 1188 CG1 VAL A 84 -9.853 -8.150 0.543 1.00 0.00 C ATOM 1189 CG2 VAL A 84 -8.940 -6.357 2.034 1.00 0.00 C ATOM 0 H VAL A 84 -11.478 -6.884 4.359 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.702 -6.429 1.488 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.593 -8.289 2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.832 -8.458 0.318 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -10.510 -9.019 0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.182 -7.417 -0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.932 -6.690 1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.245 -5.575 1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.953 -5.964 3.051 1.00 0.00 H new ATOM 1199 N ALA A 85 -13.269 -8.350 1.539 1.00 0.00 N ATOM 1200 CA ALA A 85 -14.200 -9.473 1.524 1.00 0.00 C ATOM 1201 C ALA A 85 -14.844 -9.671 2.892 1.00 0.00 C ATOM 1202 O ALA A 85 -15.181 -10.791 3.274 1.00 0.00 O ATOM 1203 CB ALA A 85 -13.487 -10.743 1.085 1.00 0.00 C ATOM 0 H ALA A 85 -13.488 -7.611 0.871 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.991 -9.248 0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -14.193 -11.573 1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.081 -10.604 0.083 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.675 -10.963 1.779 1.00 0.00 H new ATOM 1209 N GLY A 86 -15.011 -8.576 3.627 1.00 0.00 N ATOM 1210 CA GLY A 86 -15.613 -8.652 4.944 1.00 0.00 C ATOM 1211 C GLY A 86 -14.583 -8.617 6.056 1.00 0.00 C ATOM 1212 O GLY A 86 -14.873 -8.169 7.166 1.00 0.00 O ATOM 0 H GLY A 86 -14.740 -7.638 3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.308 -7.822 5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.195 -9.570 5.021 1.00 0.00 H new ATOM 1216 N THR A 87 -13.377 -9.091 5.759 1.00 0.00 N ATOM 1217 CA THR A 87 -12.301 -9.111 6.742 1.00 0.00 C ATOM 1218 C THR A 87 -11.914 -7.695 7.156 1.00 0.00 C ATOM 1219 O THR A 87 -12.059 -6.750 6.379 1.00 0.00 O ATOM 1220 CB THR A 87 -11.080 -9.841 6.178 1.00 0.00 C ATOM 1221 OG1 THR A 87 -11.478 -10.861 5.279 1.00 0.00 O ATOM 1222 CG2 THR A 87 -10.220 -10.481 7.246 1.00 0.00 C ATOM 0 H THR A 87 -13.121 -9.466 4.846 1.00 0.00 H new ATOM 0 HA THR A 87 -12.659 -9.642 7.624 1.00 0.00 H new ATOM 0 HB THR A 87 -10.493 -9.075 5.672 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.560 -10.488 4.376 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.372 -10.982 6.779 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.857 -9.713 7.929 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.811 -11.210 7.801 1.00 0.00 H new ATOM 1230 N ARG A 88 -11.423 -7.555 8.383 1.00 0.00 N ATOM 1231 CA ARG A 88 -11.016 -6.254 8.899 1.00 0.00 C ATOM 1232 C ARG A 88 -9.541 -6.261 9.288 1.00 0.00 C ATOM 1233 O ARG A 88 -9.151 -6.888 10.272 1.00 0.00 O ATOM 1234 CB ARG A 88 -11.873 -5.872 10.108 1.00 0.00 C ATOM 1235 CG ARG A 88 -12.269 -4.403 10.133 1.00 0.00 C ATOM 1236 CD ARG A 88 -13.748 -4.217 9.833 1.00 0.00 C ATOM 1237 NE ARG A 88 -14.059 -2.843 9.444 1.00 0.00 N ATOM 1238 CZ ARG A 88 -15.290 -2.403 9.201 1.00 0.00 C ATOM 1239 NH1 ARG A 88 -16.329 -3.223 9.305 1.00 0.00 N ATOM 1240 NH2 ARG A 88 -15.485 -1.138 8.853 1.00 0.00 N ATOM 0 H ARG A 88 -11.297 -8.327 9.038 1.00 0.00 H new ATOM 0 HA ARG A 88 -11.162 -5.515 8.111 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.775 -6.483 10.111 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.325 -6.108 11.020 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -12.040 -3.980 11.111 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.677 -3.853 9.401 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.044 -4.896 9.033 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.333 -4.486 10.712 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.287 -2.183 9.354 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.185 -4.197 9.573 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.271 -2.879 9.117 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.691 -0.503 8.772 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -16.429 -0.800 8.666 1.00 0.00 H new ATOM 1254 N TYR A 89 -8.726 -5.556 8.509 1.00 0.00 N ATOM 1255 CA TYR A 89 -7.294 -5.481 8.772 1.00 0.00 C ATOM 1256 C TYR A 89 -6.977 -4.346 9.740 1.00 0.00 C ATOM 1257 O TYR A 89 -6.411 -4.568 10.810 1.00 0.00 O ATOM 1258 CB TYR A 89 -6.524 -5.282 7.465 1.00 0.00 C ATOM 1259 CG TYR A 89 -6.637 -6.450 6.511 1.00 0.00 C ATOM 1260 CD1 TYR A 89 -7.833 -6.726 5.861 1.00 0.00 C ATOM 1261 CD2 TYR A 89 -5.547 -7.275 6.260 1.00 0.00 C ATOM 1262 CE1 TYR A 89 -7.941 -7.793 4.989 1.00 0.00 C ATOM 1263 CE2 TYR A 89 -5.648 -8.343 5.389 1.00 0.00 C ATOM 1264 CZ TYR A 89 -6.846 -8.597 4.756 1.00 0.00 C ATOM 1265 OH TYR A 89 -6.950 -9.660 3.888 1.00 0.00 O ATOM 0 H TYR A 89 -9.033 -5.029 7.691 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.984 -6.421 9.229 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.891 -4.383 6.970 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.472 -5.112 7.695 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.692 -6.097 6.040 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.607 -7.078 6.753 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -8.879 -7.996 4.493 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.792 -8.976 5.205 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.089 -10.124 3.835 1.00 0.00 H new ATOM 1275 N PHE A 90 -7.346 -3.128 9.356 1.00 0.00 N ATOM 1276 CA PHE A 90 -7.103 -1.957 10.191 1.00 0.00 C ATOM 1277 C PHE A 90 -8.237 -0.947 10.055 1.00 0.00 C ATOM 1278 O PHE A 90 -8.574 -0.521 8.950 1.00 0.00 O ATOM 1279 CB PHE A 90 -5.772 -1.303 9.811 1.00 0.00 C ATOM 1280 CG PHE A 90 -5.621 -1.064 8.336 1.00 0.00 C ATOM 1281 CD1 PHE A 90 -6.179 0.056 7.741 1.00 0.00 C ATOM 1282 CD2 PHE A 90 -4.918 -1.959 7.545 1.00 0.00 C ATOM 1283 CE1 PHE A 90 -6.041 0.278 6.384 1.00 0.00 C ATOM 1284 CE2 PHE A 90 -4.776 -1.741 6.187 1.00 0.00 C ATOM 1285 CZ PHE A 90 -5.338 -0.622 5.606 1.00 0.00 C ATOM 0 H PHE A 90 -7.814 -2.926 8.472 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.056 -2.284 11.230 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.680 -0.352 10.336 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.954 -1.937 10.154 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.728 0.764 8.345 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -4.476 -2.836 7.994 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -6.482 1.154 5.932 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.226 -2.446 5.581 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.228 -0.450 4.545 1.00 0.00 H new ATOM 1295 N GLN A 91 -8.822 -0.567 11.187 1.00 0.00 N ATOM 1296 CA GLN A 91 -9.919 0.394 11.194 1.00 0.00 C ATOM 1297 C GLN A 91 -9.421 1.791 10.838 1.00 0.00 C ATOM 1298 O GLN A 91 -8.614 2.376 11.559 1.00 0.00 O ATOM 1299 CB GLN A 91 -10.597 0.414 12.566 1.00 0.00 C ATOM 1300 CG GLN A 91 -12.115 0.446 12.493 1.00 0.00 C ATOM 1301 CD GLN A 91 -12.648 1.783 12.020 1.00 0.00 C ATOM 1302 OE1 GLN A 91 -12.525 2.794 12.712 1.00 0.00 O ATOM 1303 NE2 GLN A 91 -13.246 1.797 10.834 1.00 0.00 N ATOM 0 H GLN A 91 -8.555 -0.910 12.110 1.00 0.00 H new ATOM 0 HA GLN A 91 -10.645 0.085 10.442 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.287 -0.467 13.128 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -10.250 1.285 13.121 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.459 -0.337 11.818 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.527 0.222 13.477 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -13.326 0.936 10.293 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -13.625 2.669 10.464 1.00 0.00 H new ATOM 1312 N CYS A 92 -9.907 2.320 9.719 1.00 0.00 N ATOM 1313 CA CYS A 92 -9.512 3.648 9.266 1.00 0.00 C ATOM 1314 C CYS A 92 -10.580 4.257 8.365 1.00 0.00 C ATOM 1315 O CYS A 92 -11.377 3.541 7.758 1.00 0.00 O ATOM 1316 CB CYS A 92 -8.178 3.579 8.520 1.00 0.00 C ATOM 1317 SG CYS A 92 -7.537 5.188 8.003 1.00 0.00 S ATOM 0 H CYS A 92 -10.575 1.848 9.110 1.00 0.00 H new ATOM 0 HA CYS A 92 -9.398 4.284 10.144 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -7.441 3.095 9.160 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.299 2.948 7.639 1.00 0.00 H new ATOM 0 HG CYS A 92 -6.487 5.484 8.709 1.00 0.00 H new ATOM 1323 N GLN A 93 -10.592 5.584 8.283 1.00 0.00 N ATOM 1324 CA GLN A 93 -11.562 6.288 7.455 1.00 0.00 C ATOM 1325 C GLN A 93 -11.345 5.977 5.975 1.00 0.00 C ATOM 1326 O GLN A 93 -10.219 5.733 5.544 1.00 0.00 O ATOM 1327 CB GLN A 93 -11.465 7.797 7.690 1.00 0.00 C ATOM 1328 CG GLN A 93 -11.458 8.182 9.162 1.00 0.00 C ATOM 1329 CD GLN A 93 -11.562 9.681 9.371 1.00 0.00 C ATOM 1330 OE1 GLN A 93 -11.225 10.468 8.487 1.00 0.00 O ATOM 1331 NE2 GLN A 93 -12.030 10.082 10.547 1.00 0.00 N ATOM 0 H GLN A 93 -9.941 6.192 8.780 1.00 0.00 H new ATOM 0 HA GLN A 93 -12.558 5.946 7.737 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -10.556 8.172 7.220 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -12.304 8.288 7.198 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.289 7.690 9.667 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.542 7.817 9.625 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -12.298 9.394 11.251 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -12.122 11.078 10.747 1.00 0.00 H new ATOM 1340 N PRO A 94 -12.426 5.982 5.176 1.00 0.00 N ATOM 1341 CA PRO A 94 -12.347 5.699 3.739 1.00 0.00 C ATOM 1342 C PRO A 94 -11.330 6.588 3.030 1.00 0.00 C ATOM 1343 O PRO A 94 -11.009 7.678 3.502 1.00 0.00 O ATOM 1344 CB PRO A 94 -13.761 5.999 3.235 1.00 0.00 C ATOM 1345 CG PRO A 94 -14.634 5.831 4.430 1.00 0.00 C ATOM 1346 CD PRO A 94 -13.808 6.262 5.609 1.00 0.00 C ATOM 0 HA PRO A 94 -12.020 4.678 3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.831 7.009 2.832 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.049 5.317 2.435 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -15.536 6.437 4.343 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.955 4.795 4.536 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.952 7.318 5.836 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -14.069 5.704 6.508 1.00 0.00 H new ATOM 1354 N LYS A 95 -10.829 6.114 1.894 1.00 0.00 N ATOM 1355 CA LYS A 95 -9.849 6.866 1.118 1.00 0.00 C ATOM 1356 C LYS A 95 -8.596 7.142 1.945 1.00 0.00 C ATOM 1357 O LYS A 95 -8.191 8.294 2.113 1.00 0.00 O ATOM 1358 CB LYS A 95 -10.456 8.182 0.629 1.00 0.00 C ATOM 1359 CG LYS A 95 -11.583 7.996 -0.374 1.00 0.00 C ATOM 1360 CD LYS A 95 -12.223 9.323 -0.746 1.00 0.00 C ATOM 1361 CE LYS A 95 -11.516 9.971 -1.925 1.00 0.00 C ATOM 1362 NZ LYS A 95 -12.178 11.238 -2.341 1.00 0.00 N ATOM 0 H LYS A 95 -11.085 5.213 1.490 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.565 6.264 0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.832 8.740 1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.672 8.787 0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -11.196 7.513 -1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -12.338 7.331 0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.273 9.165 -0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.194 9.995 0.111 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.478 10.174 -1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.500 9.277 -2.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -11.666 11.649 -3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.161 11.041 -2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.171 11.910 -1.548 1.00 0.00 H new ATOM 1376 N TYR A 96 -7.985 6.079 2.458 1.00 0.00 N ATOM 1377 CA TYR A 96 -6.779 6.207 3.266 1.00 0.00 C ATOM 1378 C TYR A 96 -6.028 4.880 3.335 1.00 0.00 C ATOM 1379 O TYR A 96 -4.808 4.837 3.182 1.00 0.00 O ATOM 1380 CB TYR A 96 -7.132 6.681 4.678 1.00 0.00 C ATOM 1381 CG TYR A 96 -7.469 8.153 4.757 1.00 0.00 C ATOM 1382 CD1 TYR A 96 -6.522 9.120 4.444 1.00 0.00 C ATOM 1383 CD2 TYR A 96 -8.734 8.576 5.144 1.00 0.00 C ATOM 1384 CE1 TYR A 96 -6.825 10.467 4.515 1.00 0.00 C ATOM 1385 CE2 TYR A 96 -9.046 9.920 5.216 1.00 0.00 C ATOM 1386 CZ TYR A 96 -8.089 10.861 4.902 1.00 0.00 C ATOM 1387 OH TYR A 96 -8.395 12.200 4.974 1.00 0.00 O ATOM 0 H TYR A 96 -8.306 5.119 2.328 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.132 6.947 2.794 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -7.980 6.103 5.045 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.293 6.473 5.342 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.532 8.814 4.140 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.486 7.842 5.393 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -6.077 11.206 4.269 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -10.035 10.232 5.517 1.00 0.00 H new ATOM 0 HH TYR A 96 -9.326 12.308 5.261 1.00 0.00 H new ATOM 1397 N GLY A 97 -6.768 3.800 3.566 1.00 0.00 N ATOM 1398 CA GLY A 97 -6.157 2.487 3.652 1.00 0.00 C ATOM 1399 C GLY A 97 -5.682 1.979 2.304 1.00 0.00 C ATOM 1400 O GLY A 97 -6.381 2.117 1.299 1.00 0.00 O ATOM 0 H GLY A 97 -7.780 3.811 3.695 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.312 2.527 4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.876 1.782 4.070 1.00 0.00 H new ATOM 1404 N LEU A 98 -4.491 1.390 2.280 1.00 0.00 N ATOM 1405 CA LEU A 98 -3.924 0.861 1.046 1.00 0.00 C ATOM 1406 C LEU A 98 -3.213 -0.464 1.297 1.00 0.00 C ATOM 1407 O LEU A 98 -2.778 -0.745 2.414 1.00 0.00 O ATOM 1408 CB LEU A 98 -2.949 1.868 0.433 1.00 0.00 C ATOM 1409 CG LEU A 98 -2.424 1.500 -0.955 1.00 0.00 C ATOM 1410 CD1 LEU A 98 -3.575 1.352 -1.939 1.00 0.00 C ATOM 1411 CD2 LEU A 98 -1.432 2.544 -1.444 1.00 0.00 C ATOM 0 H LEU A 98 -3.900 1.267 3.102 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.742 0.687 0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.443 2.838 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.100 1.984 1.107 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.908 0.543 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.182 1.090 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.248 0.566 -1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.120 2.294 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.069 2.266 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.923 3.516 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.592 2.600 -0.752 1.00 0.00 H new ATOM 1423 N PHE A 99 -3.098 -1.278 0.251 1.00 0.00 N ATOM 1424 CA PHE A 99 -2.440 -2.574 0.359 1.00 0.00 C ATOM 1425 C PHE A 99 -1.479 -2.795 -0.806 1.00 0.00 C ATOM 1426 O PHE A 99 -1.791 -2.469 -1.951 1.00 0.00 O ATOM 1427 CB PHE A 99 -3.479 -3.695 0.397 1.00 0.00 C ATOM 1428 CG PHE A 99 -4.038 -3.949 1.768 1.00 0.00 C ATOM 1429 CD1 PHE A 99 -5.066 -3.166 2.267 1.00 0.00 C ATOM 1430 CD2 PHE A 99 -3.535 -4.972 2.557 1.00 0.00 C ATOM 1431 CE1 PHE A 99 -5.583 -3.398 3.529 1.00 0.00 C ATOM 1432 CE2 PHE A 99 -4.048 -5.208 3.818 1.00 0.00 C ATOM 1433 CZ PHE A 99 -5.073 -4.420 4.304 1.00 0.00 C ATOM 0 H PHE A 99 -3.452 -1.062 -0.681 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.868 -2.587 1.287 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.296 -3.445 -0.279 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.025 -4.613 0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.468 -2.365 1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.734 -5.591 2.182 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.384 -2.781 3.907 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.648 -6.008 4.423 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.475 -4.603 5.289 1.00 0.00 H new ATOM 1443 N ALA A 100 -0.311 -3.351 -0.505 1.00 0.00 N ATOM 1444 CA ALA A 100 0.694 -3.616 -1.526 1.00 0.00 C ATOM 1445 C ALA A 100 1.617 -4.758 -1.108 1.00 0.00 C ATOM 1446 O ALA A 100 1.770 -5.039 0.081 1.00 0.00 O ATOM 1447 CB ALA A 100 1.503 -2.359 -1.810 1.00 0.00 C ATOM 0 H ALA A 100 -0.037 -3.627 0.438 1.00 0.00 H new ATOM 0 HA ALA A 100 0.178 -3.917 -2.438 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.250 -2.572 -2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.838 -1.570 -2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.001 -2.033 -0.897 1.00 0.00 H new ATOM 1453 N PRO A 101 2.248 -5.435 -2.083 1.00 0.00 N ATOM 1454 CA PRO A 101 3.159 -6.550 -1.810 1.00 0.00 C ATOM 1455 C PRO A 101 4.363 -6.119 -0.980 1.00 0.00 C ATOM 1456 O PRO A 101 4.942 -5.059 -1.215 1.00 0.00 O ATOM 1457 CB PRO A 101 3.612 -7.012 -3.200 1.00 0.00 C ATOM 1458 CG PRO A 101 2.627 -6.431 -4.156 1.00 0.00 C ATOM 1459 CD PRO A 101 2.123 -5.167 -3.525 1.00 0.00 C ATOM 0 HA PRO A 101 2.670 -7.333 -1.231 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.622 -6.665 -3.419 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.627 -8.100 -3.266 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.095 -6.225 -5.119 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.808 -7.126 -4.341 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.715 -4.303 -3.826 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.091 -4.960 -3.808 1.00 0.00 H new ATOM 1467 N VAL A 102 4.736 -6.947 -0.008 1.00 0.00 N ATOM 1468 CA VAL A 102 5.873 -6.649 0.855 1.00 0.00 C ATOM 1469 C VAL A 102 7.122 -6.344 0.032 1.00 0.00 C ATOM 1470 O VAL A 102 7.806 -5.349 0.272 1.00 0.00 O ATOM 1471 CB VAL A 102 6.174 -7.815 1.817 1.00 0.00 C ATOM 1472 CG1 VAL A 102 5.063 -7.959 2.845 1.00 0.00 C ATOM 1473 CG2 VAL A 102 6.368 -9.112 1.045 1.00 0.00 C ATOM 0 H VAL A 102 4.267 -7.829 0.201 1.00 0.00 H new ATOM 0 HA VAL A 102 5.603 -5.770 1.440 1.00 0.00 H new ATOM 0 HB VAL A 102 7.101 -7.594 2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.293 -8.787 3.515 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.979 -7.038 3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.119 -8.156 2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.579 -9.922 1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.461 -9.342 0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.203 -9.002 0.353 1.00 0.00 H new ATOM 1483 N HIS A 103 7.411 -7.203 -0.941 1.00 0.00 N ATOM 1484 CA HIS A 103 8.575 -7.020 -1.801 1.00 0.00 C ATOM 1485 C HIS A 103 8.509 -5.678 -2.523 1.00 0.00 C ATOM 1486 O HIS A 103 9.539 -5.091 -2.857 1.00 0.00 O ATOM 1487 CB HIS A 103 8.668 -8.157 -2.819 1.00 0.00 C ATOM 1488 CG HIS A 103 7.389 -8.410 -3.555 1.00 0.00 C ATOM 1489 ND1 HIS A 103 6.992 -7.707 -4.670 1.00 0.00 N ATOM 1490 CD2 HIS A 103 6.407 -9.317 -3.315 1.00 0.00 C ATOM 1491 CE1 HIS A 103 5.808 -8.196 -5.065 1.00 0.00 C ATOM 1492 NE2 HIS A 103 5.410 -9.175 -4.275 1.00 0.00 N ATOM 0 H HIS A 103 6.856 -8.032 -1.153 1.00 0.00 H new ATOM 0 HA HIS A 103 9.466 -7.032 -1.173 1.00 0.00 H new ATOM 0 HB2 HIS A 103 9.452 -7.925 -3.540 1.00 0.00 H new ATOM 0 HB3 HIS A 103 8.968 -9.070 -2.305 1.00 0.00 H new ATOM 0 HD2 HIS A 103 6.401 -10.034 -2.508 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.253 -7.836 -5.918 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.549 -9.716 -4.352 1.00 0.00 H new ATOM 1500 N LYS A 104 7.292 -5.196 -2.757 1.00 0.00 N ATOM 1501 CA LYS A 104 7.092 -3.922 -3.435 1.00 0.00 C ATOM 1502 C LYS A 104 7.264 -2.757 -2.462 1.00 0.00 C ATOM 1503 O LYS A 104 7.591 -1.641 -2.867 1.00 0.00 O ATOM 1504 CB LYS A 104 5.702 -3.873 -4.074 1.00 0.00 C ATOM 1505 CG LYS A 104 5.734 -3.752 -5.588 1.00 0.00 C ATOM 1506 CD LYS A 104 4.575 -4.497 -6.231 1.00 0.00 C ATOM 1507 CE LYS A 104 4.428 -4.139 -7.701 1.00 0.00 C ATOM 1508 NZ LYS A 104 3.507 -5.068 -8.411 1.00 0.00 N ATOM 0 H LYS A 104 6.430 -5.670 -2.487 1.00 0.00 H new ATOM 0 HA LYS A 104 7.845 -3.831 -4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.154 -4.775 -3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.151 -3.028 -3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.694 -2.700 -5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.677 -4.148 -5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.732 -5.571 -6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.651 -4.259 -5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.054 -3.119 -7.790 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.407 -4.163 -8.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.435 -4.789 -9.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.876 -6.038 -8.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.565 -5.027 -7.971 1.00 0.00 H new ATOM 1522 N VAL A 105 7.040 -3.025 -1.179 1.00 0.00 N ATOM 1523 CA VAL A 105 7.171 -1.998 -0.152 1.00 0.00 C ATOM 1524 C VAL A 105 8.637 -1.701 0.144 1.00 0.00 C ATOM 1525 O VAL A 105 9.458 -2.614 0.250 1.00 0.00 O ATOM 1526 CB VAL A 105 6.471 -2.419 1.154 1.00 0.00 C ATOM 1527 CG1 VAL A 105 6.447 -1.263 2.144 1.00 0.00 C ATOM 1528 CG2 VAL A 105 5.063 -2.917 0.869 1.00 0.00 C ATOM 0 H VAL A 105 6.768 -3.943 -0.827 1.00 0.00 H new ATOM 0 HA VAL A 105 6.692 -1.099 -0.540 1.00 0.00 H new ATOM 0 HB VAL A 105 7.036 -3.237 1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 105 5.949 -1.579 3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.468 -0.959 2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.907 -0.422 1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.585 -3.210 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.484 -2.122 0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.109 -3.777 0.200 1.00 0.00 H new ATOM 1538 N THR A 106 8.961 -0.419 0.278 1.00 0.00 N ATOM 1539 CA THR A 106 10.329 -0.001 0.562 1.00 0.00 C ATOM 1540 C THR A 106 10.445 0.556 1.977 1.00 0.00 C ATOM 1541 O THR A 106 9.546 1.245 2.459 1.00 0.00 O ATOM 1542 CB THR A 106 10.785 1.050 -0.451 1.00 0.00 C ATOM 1543 OG1 THR A 106 10.257 0.771 -1.735 1.00 0.00 O ATOM 1544 CG2 THR A 106 12.289 1.142 -0.582 1.00 0.00 C ATOM 0 H THR A 106 8.295 0.349 0.194 1.00 0.00 H new ATOM 0 HA THR A 106 10.973 -0.876 0.481 1.00 0.00 H new ATOM 0 HB THR A 106 10.412 2.000 -0.069 1.00 0.00 H new ATOM 0 HG1 THR A 106 9.474 1.338 -1.897 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.544 1.906 -1.316 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.723 1.406 0.382 1.00 0.00 H new ATOM 0 HG23 THR A 106 12.685 0.180 -0.907 1.00 0.00 H new ATOM 1552 N LYS A 107 11.558 0.252 2.637 1.00 0.00 N ATOM 1553 CA LYS A 107 11.791 0.723 3.998 1.00 0.00 C ATOM 1554 C LYS A 107 12.594 2.019 3.995 1.00 0.00 C ATOM 1555 O LYS A 107 13.715 2.066 3.487 1.00 0.00 O ATOM 1556 CB LYS A 107 12.526 -0.344 4.811 1.00 0.00 C ATOM 1557 CG LYS A 107 12.379 -0.171 6.314 1.00 0.00 C ATOM 1558 CD LYS A 107 13.434 0.769 6.874 1.00 0.00 C ATOM 1559 CE LYS A 107 14.577 0.003 7.522 1.00 0.00 C ATOM 1560 NZ LYS A 107 14.342 -0.220 8.975 1.00 0.00 N ATOM 0 H LYS A 107 12.312 -0.317 2.252 1.00 0.00 H new ATOM 0 HA LYS A 107 10.823 0.918 4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.150 -1.327 4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.585 -0.321 4.553 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.386 0.218 6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.460 -1.142 6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.824 1.398 6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.978 1.433 7.608 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.699 -0.958 7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 107 15.507 0.554 7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 15.143 -0.745 9.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.250 0.697 9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 13.468 -0.768 9.105 1.00 0.00 H new ATOM 1574 N ILE A 108 12.015 3.071 4.564 1.00 0.00 N ATOM 1575 CA ILE A 108 12.676 4.368 4.628 1.00 0.00 C ATOM 1576 C ILE A 108 13.654 4.429 5.797 1.00 0.00 C ATOM 1577 O ILE A 108 14.751 4.973 5.672 1.00 0.00 O ATOM 1578 CB ILE A 108 11.657 5.515 4.765 1.00 0.00 C ATOM 1579 CG1 ILE A 108 10.543 5.363 3.727 1.00 0.00 C ATOM 1580 CG2 ILE A 108 12.349 6.860 4.615 1.00 0.00 C ATOM 1581 CD1 ILE A 108 9.332 6.225 4.009 1.00 0.00 C ATOM 0 H ILE A 108 11.088 3.050 4.988 1.00 0.00 H new ATOM 0 HA ILE A 108 13.222 4.490 3.693 1.00 0.00 H new ATOM 0 HB ILE A 108 11.211 5.468 5.758 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.938 5.616 2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.234 4.318 3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.615 7.660 4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 108 13.109 6.967 5.389 1.00 0.00 H new ATOM 0 HG23 ILE A 108 12.820 6.919 3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.583 6.066 3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.912 5.957 4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 108 9.627 7.274 4.019 1.00 0.00 H new