USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 710 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 79 SER OG : rot -22:sc= 1.02 USER MOD Set 1.2: A 116 LYS NZ :NH3+ 172:sc= 0.22 (180deg=-0.053) USER MOD Set 2.1: A 68 THR OG1 : rot 180:sc= 0.204 USER MOD Set 2.2: A 71 ASN : amide:sc= -0.87 K(o=-0.67,f=0.88) USER MOD Set 3.1: A 53 TYR OH : rot 30:sc= 1.02 USER MOD Set 3.2: A 111 HIS : no HE2:sc= 1.19 K(o=2.2,f=-7.8!) USER MOD Single : A 48 LYS NZ :NH3+ -130:sc= 1.12 (180deg=-1.34!) USER MOD Single : A 50 LYS NZ :NH3+ -151:sc= 1.63 (180deg=0.897) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 90:sc= 1.23 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -3.3! K(o=-3.3!,f=-0.084) USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= -2.3! (180deg=-2.72!) USER MOD Single : A 73 LYS NZ :NH3+ -158:sc= -0.0688 (180deg=-0.503) USER MOD Single : A 74 LYS NZ :NH3+ 171:sc=-0.00331 (180deg=-0.0914) USER MOD Single : A 76 MET CE :methyl -175:sc= -0.438 (180deg=-0.519) USER MOD Single : A 78 LYS NZ :NH3+ 153:sc= 1.23 (180deg=1.1) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -1.08 K(o=-1.1,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00897 USER MOD Single : A 88 LYS NZ :NH3+ 166:sc= 0.938 (180deg=0.353) USER MOD Single : A 91 LYS NZ :NH3+ -158:sc= 0.0108 (180deg=-1.5!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.0633 X(o=-0.063,f=0.086) USER MOD Single : A 114 LYS NZ :NH3+ 171:sc= -3.37! (180deg=-3.95!) USER MOD Single : A 120 HIS : no HE2:sc= -1.15 K(o=-1.2,f=-4.8!) USER MOD Single : A 129 HIS : no HD1:sc= 0.00736 K(o=0.0074,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 587 N VAL A 45 -4.363 0.894 -3.773 1.00 0.83 N ATOM 588 CA VAL A 45 -4.100 1.882 -4.798 1.00 0.83 C ATOM 589 C VAL A 45 -2.673 1.741 -5.356 1.00 0.65 C ATOM 590 O VAL A 45 -2.253 2.501 -6.220 1.00 0.73 O ATOM 591 CB VAL A 45 -4.303 3.293 -4.203 1.00 1.00 C ATOM 592 CG1 VAL A 45 -4.402 4.348 -5.294 1.00 1.21 C ATOM 593 CG2 VAL A 45 -5.539 3.329 -3.298 1.00 1.20 C ATOM 0 HA VAL A 45 -4.794 1.725 -5.623 1.00 0.83 H new ATOM 0 HB VAL A 45 -3.427 3.525 -3.597 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -4.545 5.329 -4.840 1.00 1.21 H new ATOM 0 HG12 VAL A 45 -3.484 4.350 -5.882 1.00 1.21 H new ATOM 0 HG13 VAL A 45 -5.248 4.122 -5.943 1.00 1.21 H new ATOM 0 HG21 VAL A 45 -5.662 4.332 -2.890 1.00 1.20 H new ATOM 0 HG22 VAL A 45 -6.422 3.062 -3.878 1.00 1.20 H new ATOM 0 HG23 VAL A 45 -5.413 2.618 -2.481 1.00 1.20 H new ATOM 603 N VAL A 46 -1.921 0.764 -4.861 1.00 0.48 N ATOM 604 CA VAL A 46 -0.591 0.495 -5.398 1.00 0.34 C ATOM 605 C VAL A 46 -0.656 -0.480 -6.569 1.00 0.33 C ATOM 606 O VAL A 46 0.260 -0.543 -7.389 1.00 0.40 O ATOM 607 CB VAL A 46 0.385 -0.004 -4.291 1.00 0.33 C ATOM 608 CG1 VAL A 46 1.468 -0.922 -4.830 1.00 0.66 C ATOM 609 CG2 VAL A 46 1.024 1.195 -3.622 1.00 0.53 C ATOM 0 H VAL A 46 -2.205 0.151 -4.097 1.00 0.48 H new ATOM 0 HA VAL A 46 -0.193 1.437 -5.776 1.00 0.34 H new ATOM 0 HB VAL A 46 -0.198 -0.585 -3.576 1.00 0.33 H new ATOM 0 HG11 VAL A 46 2.117 -1.237 -4.013 1.00 0.66 H new ATOM 0 HG12 VAL A 46 1.008 -1.798 -5.287 1.00 0.66 H new ATOM 0 HG13 VAL A 46 2.057 -0.390 -5.577 1.00 0.66 H new ATOM 0 HG21 VAL A 46 1.709 0.856 -2.845 1.00 0.53 H new ATOM 0 HG22 VAL A 46 1.574 1.775 -4.363 1.00 0.53 H new ATOM 0 HG23 VAL A 46 0.249 1.818 -3.176 1.00 0.53 H new ATOM 619 N GLY A 47 -1.764 -1.192 -6.689 1.00 0.42 N ATOM 620 CA GLY A 47 -1.926 -2.119 -7.793 1.00 0.54 C ATOM 621 C GLY A 47 -1.941 -1.405 -9.136 1.00 0.56 C ATOM 622 O GLY A 47 -1.753 -2.025 -10.180 1.00 0.72 O ATOM 0 H GLY A 47 -2.554 -1.147 -6.045 1.00 0.42 H new ATOM 0 HA2 GLY A 47 -1.115 -2.847 -7.778 1.00 0.54 H new ATOM 0 HA3 GLY A 47 -2.855 -2.675 -7.667 1.00 0.54 H new ATOM 626 N LYS A 48 -2.148 -0.090 -9.097 1.00 0.49 N ATOM 627 CA LYS A 48 -2.203 0.720 -10.305 1.00 0.60 C ATOM 628 C LYS A 48 -0.890 1.448 -10.564 1.00 0.54 C ATOM 629 O LYS A 48 -0.543 1.719 -11.711 1.00 0.67 O ATOM 630 CB LYS A 48 -3.342 1.741 -10.212 1.00 0.76 C ATOM 631 CG LYS A 48 -3.401 2.501 -8.903 1.00 0.94 C ATOM 632 CD LYS A 48 -4.497 3.558 -8.911 1.00 1.43 C ATOM 633 CE LYS A 48 -4.189 4.705 -9.864 1.00 2.26 C ATOM 634 NZ LYS A 48 -3.079 5.568 -9.369 1.00 2.97 N ATOM 0 H LYS A 48 -2.281 0.437 -8.234 1.00 0.49 H new ATOM 0 HA LYS A 48 -2.384 0.041 -11.138 1.00 0.60 H new ATOM 0 HB2 LYS A 48 -3.239 2.456 -11.028 1.00 0.76 H new ATOM 0 HB3 LYS A 48 -4.290 1.223 -10.360 1.00 0.76 H new ATOM 0 HG2 LYS A 48 -3.576 1.802 -8.085 1.00 0.94 H new ATOM 0 HG3 LYS A 48 -2.439 2.977 -8.715 1.00 0.94 H new ATOM 0 HD2 LYS A 48 -5.442 3.096 -9.196 1.00 1.43 H new ATOM 0 HD3 LYS A 48 -4.626 3.951 -7.903 1.00 1.43 H new ATOM 0 HE2 LYS A 48 -3.925 4.302 -10.841 1.00 2.26 H new ATOM 0 HE3 LYS A 48 -5.084 5.311 -10.001 1.00 2.26 H new ATOM 0 HZ1 LYS A 48 -3.372 6.565 -9.405 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 -2.850 5.310 -8.388 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 -2.240 5.432 -9.968 1.00 2.97 H new ATOM 648 N ASP A 49 -0.149 1.746 -9.506 1.00 0.45 N ATOM 649 CA ASP A 49 1.050 2.565 -9.627 1.00 0.50 C ATOM 650 C ASP A 49 2.309 1.725 -9.444 1.00 0.40 C ATOM 651 O ASP A 49 3.424 2.234 -9.517 1.00 0.40 O ATOM 652 CB ASP A 49 1.020 3.705 -8.605 1.00 0.68 C ATOM 653 CG ASP A 49 -0.213 4.579 -8.739 1.00 1.09 C ATOM 654 OD1 ASP A 49 -0.483 5.071 -9.855 1.00 1.83 O ATOM 655 OD2 ASP A 49 -0.907 4.802 -7.730 1.00 1.58 O ATOM 0 H ASP A 49 -0.356 1.434 -8.557 1.00 0.45 H new ATOM 0 HA ASP A 49 1.069 2.990 -10.631 1.00 0.50 H new ATOM 0 HB2 ASP A 49 1.056 3.287 -7.599 1.00 0.68 H new ATOM 0 HB3 ASP A 49 1.911 4.320 -8.727 1.00 0.68 H new ATOM 660 N LYS A 50 2.118 0.426 -9.220 1.00 0.37 N ATOM 661 CA LYS A 50 3.219 -0.516 -9.038 1.00 0.35 C ATOM 662 C LYS A 50 4.255 -0.418 -10.168 1.00 0.35 C ATOM 663 O LYS A 50 5.444 -0.313 -9.891 1.00 0.35 O ATOM 664 CB LYS A 50 2.671 -1.942 -8.942 1.00 0.39 C ATOM 665 CG LYS A 50 3.703 -2.987 -8.541 1.00 0.48 C ATOM 666 CD LYS A 50 3.125 -4.392 -8.635 1.00 0.63 C ATOM 667 CE LYS A 50 4.181 -5.464 -8.404 1.00 0.80 C ATOM 668 NZ LYS A 50 4.622 -5.536 -6.986 1.00 1.13 N ATOM 0 H LYS A 50 1.194 -0.003 -9.160 1.00 0.37 H new ATOM 0 HA LYS A 50 3.728 -0.257 -8.110 1.00 0.35 H new ATOM 0 HB2 LYS A 50 1.856 -1.957 -8.218 1.00 0.39 H new ATOM 0 HB3 LYS A 50 2.246 -2.220 -9.906 1.00 0.39 H new ATOM 0 HG2 LYS A 50 4.577 -2.906 -9.187 1.00 0.48 H new ATOM 0 HG3 LYS A 50 4.041 -2.797 -7.522 1.00 0.48 H new ATOM 0 HD2 LYS A 50 2.328 -4.505 -7.900 1.00 0.63 H new ATOM 0 HD3 LYS A 50 2.675 -4.533 -9.618 1.00 0.63 H new ATOM 0 HE2 LYS A 50 3.782 -6.432 -8.706 1.00 0.80 H new ATOM 0 HE3 LYS A 50 5.044 -5.262 -9.039 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 5.605 -5.872 -6.945 1.00 1.13 H new ATOM 0 HZ2 LYS A 50 4.561 -4.592 -6.555 1.00 1.13 H new ATOM 0 HZ3 LYS A 50 4.009 -6.195 -6.465 1.00 1.13 H new ATOM 682 N PRO A 51 3.833 -0.423 -11.459 1.00 0.39 N ATOM 683 CA PRO A 51 4.775 -0.312 -12.581 1.00 0.43 C ATOM 684 C PRO A 51 5.539 1.014 -12.556 1.00 0.37 C ATOM 685 O PRO A 51 6.677 1.097 -13.009 1.00 0.36 O ATOM 686 CB PRO A 51 3.882 -0.400 -13.826 1.00 0.56 C ATOM 687 CG PRO A 51 2.515 -0.051 -13.350 1.00 0.55 C ATOM 688 CD PRO A 51 2.439 -0.536 -11.931 1.00 0.45 C ATOM 0 HA PRO A 51 5.540 -1.087 -12.548 1.00 0.43 H new ATOM 0 HB2 PRO A 51 4.217 0.289 -14.601 1.00 0.56 H new ATOM 0 HB3 PRO A 51 3.905 -1.401 -14.258 1.00 0.56 H new ATOM 0 HG2 PRO A 51 2.344 1.024 -13.405 1.00 0.55 H new ATOM 0 HG3 PRO A 51 1.753 -0.527 -13.967 1.00 0.55 H new ATOM 0 HD2 PRO A 51 1.761 0.073 -11.333 1.00 0.45 H new ATOM 0 HD3 PRO A 51 2.077 -1.563 -11.876 1.00 0.45 H new ATOM 696 N THR A 52 4.908 2.040 -12.005 1.00 0.36 N ATOM 697 CA THR A 52 5.533 3.347 -11.888 1.00 0.36 C ATOM 698 C THR A 52 6.576 3.336 -10.777 1.00 0.29 C ATOM 699 O THR A 52 7.654 3.923 -10.894 1.00 0.32 O ATOM 700 CB THR A 52 4.465 4.424 -11.619 1.00 0.44 C ATOM 701 OG1 THR A 52 3.523 4.437 -12.701 1.00 0.60 O ATOM 702 CG2 THR A 52 5.093 5.803 -11.457 1.00 0.50 C ATOM 0 H THR A 52 3.960 1.991 -11.631 1.00 0.36 H new ATOM 0 HA THR A 52 6.034 3.583 -12.827 1.00 0.36 H new ATOM 0 HB THR A 52 3.956 4.180 -10.686 1.00 0.44 H new ATOM 0 HG1 THR A 52 2.841 5.120 -12.533 1.00 0.60 H new ATOM 0 HG21 THR A 52 4.311 6.539 -11.268 1.00 0.50 H new ATOM 0 HG22 THR A 52 5.789 5.790 -10.618 1.00 0.50 H new ATOM 0 HG23 THR A 52 5.629 6.068 -12.368 1.00 0.50 H new ATOM 710 N TYR A 53 6.269 2.630 -9.709 1.00 0.25 N ATOM 711 CA TYR A 53 7.202 2.502 -8.607 1.00 0.24 C ATOM 712 C TYR A 53 8.332 1.551 -8.980 1.00 0.22 C ATOM 713 O TYR A 53 9.439 1.642 -8.450 1.00 0.24 O ATOM 714 CB TYR A 53 6.480 1.957 -7.388 1.00 0.27 C ATOM 715 CG TYR A 53 5.336 2.828 -6.904 1.00 0.31 C ATOM 716 CD1 TYR A 53 5.469 4.207 -6.819 1.00 0.81 C ATOM 717 CD2 TYR A 53 4.119 2.265 -6.546 1.00 0.64 C ATOM 718 CE1 TYR A 53 4.424 5.001 -6.382 1.00 0.94 C ATOM 719 CE2 TYR A 53 3.071 3.051 -6.110 1.00 0.68 C ATOM 720 CZ TYR A 53 3.230 4.417 -6.030 1.00 0.62 C ATOM 721 OH TYR A 53 2.186 5.201 -5.593 1.00 0.79 O ATOM 0 H TYR A 53 5.385 2.138 -9.580 1.00 0.25 H new ATOM 0 HA TYR A 53 7.617 3.485 -8.385 1.00 0.24 H new ATOM 0 HB2 TYR A 53 6.093 0.965 -7.622 1.00 0.27 H new ATOM 0 HB3 TYR A 53 7.199 1.836 -6.577 1.00 0.27 H new ATOM 0 HD1 TYR A 53 6.405 4.668 -7.099 1.00 0.81 H new ATOM 0 HD2 TYR A 53 3.990 1.195 -6.610 1.00 0.64 H new ATOM 0 HE1 TYR A 53 4.545 6.072 -6.318 1.00 0.94 H new ATOM 0 HE2 TYR A 53 2.131 2.597 -5.833 1.00 0.68 H new ATOM 0 HH TYR A 53 2.242 6.084 -6.014 1.00 0.79 H new ATOM 731 N ASP A 54 8.046 0.664 -9.925 1.00 0.21 N ATOM 732 CA ASP A 54 9.033 -0.300 -10.412 1.00 0.23 C ATOM 733 C ASP A 54 9.959 0.343 -11.448 1.00 0.22 C ATOM 734 O ASP A 54 11.133 -0.005 -11.548 1.00 0.23 O ATOM 735 CB ASP A 54 8.308 -1.512 -11.014 1.00 0.31 C ATOM 736 CG ASP A 54 9.242 -2.535 -11.634 1.00 0.58 C ATOM 737 OD1 ASP A 54 9.541 -2.416 -12.842 1.00 1.14 O ATOM 738 OD2 ASP A 54 9.651 -3.479 -10.928 1.00 1.16 O ATOM 0 H ASP A 54 7.133 0.590 -10.374 1.00 0.21 H new ATOM 0 HA ASP A 54 9.649 -0.629 -9.575 1.00 0.23 H new ATOM 0 HB2 ASP A 54 7.719 -1.996 -10.235 1.00 0.31 H new ATOM 0 HB3 ASP A 54 7.608 -1.165 -11.774 1.00 0.31 H new ATOM 743 N GLU A 55 9.439 1.287 -12.221 1.00 0.24 N ATOM 744 CA GLU A 55 10.268 2.013 -13.174 1.00 0.28 C ATOM 745 C GLU A 55 11.226 2.931 -12.436 1.00 0.29 C ATOM 746 O GLU A 55 12.413 2.954 -12.739 1.00 0.35 O ATOM 747 CB GLU A 55 9.409 2.780 -14.181 1.00 0.35 C ATOM 748 CG GLU A 55 8.616 3.930 -13.596 1.00 0.40 C ATOM 749 CD GLU A 55 7.768 4.620 -14.636 1.00 0.88 C ATOM 750 OE1 GLU A 55 8.329 5.060 -15.661 1.00 1.63 O ATOM 751 OE2 GLU A 55 6.544 4.729 -14.440 1.00 1.38 O ATOM 0 H GLU A 55 8.458 1.566 -12.208 1.00 0.24 H new ATOM 0 HA GLU A 55 10.858 1.295 -13.743 1.00 0.28 H new ATOM 0 HB2 GLU A 55 10.056 3.167 -14.968 1.00 0.35 H new ATOM 0 HB3 GLU A 55 8.716 2.082 -14.652 1.00 0.35 H new ATOM 0 HG2 GLU A 55 7.977 3.559 -12.795 1.00 0.40 H new ATOM 0 HG3 GLU A 55 9.300 4.652 -13.149 1.00 0.40 H new ATOM 758 N ILE A 56 10.720 3.637 -11.432 1.00 0.27 N ATOM 759 CA ILE A 56 11.574 4.470 -10.597 1.00 0.30 C ATOM 760 C ILE A 56 12.589 3.581 -9.877 1.00 0.27 C ATOM 761 O ILE A 56 13.723 3.979 -9.604 1.00 0.30 O ATOM 762 CB ILE A 56 10.738 5.267 -9.573 1.00 0.34 C ATOM 763 CG1 ILE A 56 9.725 6.147 -10.308 1.00 0.42 C ATOM 764 CG2 ILE A 56 11.639 6.120 -8.692 1.00 0.36 C ATOM 765 CD1 ILE A 56 8.697 6.785 -9.402 1.00 0.61 C ATOM 0 H ILE A 56 9.732 3.649 -11.178 1.00 0.27 H new ATOM 0 HA ILE A 56 12.097 5.188 -11.229 1.00 0.30 H new ATOM 0 HB ILE A 56 10.204 4.565 -8.933 1.00 0.34 H new ATOM 0 HG12 ILE A 56 10.260 6.931 -10.843 1.00 0.42 H new ATOM 0 HG13 ILE A 56 9.211 5.545 -11.057 1.00 0.42 H new ATOM 0 HG21 ILE A 56 11.030 6.674 -7.977 1.00 0.36 H new ATOM 0 HG22 ILE A 56 12.336 5.477 -8.154 1.00 0.36 H new ATOM 0 HG23 ILE A 56 12.197 6.821 -9.313 1.00 0.36 H new ATOM 0 HD11 ILE A 56 8.015 7.393 -9.997 1.00 0.61 H new ATOM 0 HD12 ILE A 56 8.134 6.007 -8.886 1.00 0.61 H new ATOM 0 HD13 ILE A 56 9.200 7.416 -8.669 1.00 0.61 H new ATOM 777 N PHE A 57 12.156 2.355 -9.622 1.00 0.24 N ATOM 778 CA PHE A 57 12.978 1.327 -9.012 1.00 0.22 C ATOM 779 C PHE A 57 14.150 0.943 -9.928 1.00 0.24 C ATOM 780 O PHE A 57 15.309 1.040 -9.528 1.00 0.32 O ATOM 781 CB PHE A 57 12.072 0.130 -8.712 1.00 0.20 C ATOM 782 CG PHE A 57 12.714 -1.046 -8.046 1.00 0.19 C ATOM 783 CD1 PHE A 57 14.059 -1.013 -7.770 1.00 0.83 C ATOM 784 CD2 PHE A 57 11.992 -2.163 -7.675 1.00 0.85 C ATOM 785 CE1 PHE A 57 14.676 -2.061 -7.136 1.00 0.83 C ATOM 786 CE2 PHE A 57 12.611 -3.213 -7.034 1.00 0.88 C ATOM 787 CZ PHE A 57 13.846 -3.275 -6.868 1.00 0.28 C ATOM 0 H PHE A 57 11.209 2.044 -9.837 1.00 0.24 H new ATOM 0 HA PHE A 57 13.424 1.691 -8.087 1.00 0.22 H new ATOM 0 HB2 PHE A 57 11.252 0.473 -8.081 1.00 0.20 H new ATOM 0 HB3 PHE A 57 11.632 -0.208 -9.650 1.00 0.20 H new ATOM 0 HD1 PHE A 57 14.640 -0.149 -8.057 1.00 0.83 H new ATOM 0 HD2 PHE A 57 10.935 -2.214 -7.889 1.00 0.85 H new ATOM 0 HE1 PHE A 57 15.714 -2.011 -6.844 1.00 0.83 H new ATOM 0 HE2 PHE A 57 11.999 -4.020 -6.658 1.00 0.88 H new ATOM 0 HZ PHE A 57 14.309 -4.192 -6.535 1.00 0.28 H new ATOM 797 N TYR A 58 13.853 0.514 -11.151 1.00 0.26 N ATOM 798 CA TYR A 58 14.902 0.153 -12.111 1.00 0.29 C ATOM 799 C TYR A 58 15.765 1.356 -12.451 1.00 0.33 C ATOM 800 O TYR A 58 16.914 1.214 -12.870 1.00 0.37 O ATOM 801 CB TYR A 58 14.304 -0.436 -13.386 1.00 0.33 C ATOM 802 CG TYR A 58 14.005 -1.910 -13.280 1.00 0.34 C ATOM 803 CD1 TYR A 58 12.846 -2.361 -12.673 1.00 0.88 C ATOM 804 CD2 TYR A 58 14.888 -2.856 -13.787 1.00 1.00 C ATOM 805 CE1 TYR A 58 12.572 -3.708 -12.572 1.00 0.92 C ATOM 806 CE2 TYR A 58 14.619 -4.206 -13.690 1.00 1.03 C ATOM 807 CZ TYR A 58 13.461 -4.626 -13.083 1.00 0.50 C ATOM 808 OH TYR A 58 13.191 -5.973 -12.981 1.00 0.61 O ATOM 0 H TYR A 58 12.902 0.407 -11.503 1.00 0.26 H new ATOM 0 HA TYR A 58 15.528 -0.605 -11.641 1.00 0.29 H new ATOM 0 HB2 TYR A 58 13.385 0.097 -13.628 1.00 0.33 H new ATOM 0 HB3 TYR A 58 14.995 -0.271 -14.213 1.00 0.33 H new ATOM 0 HD1 TYR A 58 12.144 -1.645 -12.271 1.00 0.88 H new ATOM 0 HD2 TYR A 58 15.800 -2.529 -14.265 1.00 1.00 H new ATOM 0 HE1 TYR A 58 11.663 -4.042 -12.094 1.00 0.92 H new ATOM 0 HE2 TYR A 58 15.315 -4.928 -14.089 1.00 1.03 H new ATOM 0 HH TYR A 58 13.919 -6.485 -13.393 1.00 0.61 H new ATOM 818 N THR A 59 15.207 2.531 -12.254 1.00 0.33 N ATOM 819 CA THR A 59 15.930 3.773 -12.421 1.00 0.38 C ATOM 820 C THR A 59 16.995 3.939 -11.321 1.00 0.38 C ATOM 821 O THR A 59 17.982 4.655 -11.496 1.00 0.44 O ATOM 822 CB THR A 59 14.920 4.935 -12.438 1.00 0.40 C ATOM 823 OG1 THR A 59 14.117 4.836 -13.620 1.00 0.44 O ATOM 824 CG2 THR A 59 15.587 6.288 -12.401 1.00 0.44 C ATOM 0 H THR A 59 14.234 2.652 -11.972 1.00 0.33 H new ATOM 0 HA THR A 59 16.468 3.768 -13.369 1.00 0.38 H new ATOM 0 HB THR A 59 14.308 4.852 -11.540 1.00 0.40 H new ATOM 0 HG1 THR A 59 13.324 4.292 -13.432 1.00 0.44 H new ATOM 0 HG21 THR A 59 14.827 7.069 -12.415 1.00 0.44 H new ATOM 0 HG22 THR A 59 16.181 6.376 -11.491 1.00 0.44 H new ATOM 0 HG23 THR A 59 16.236 6.398 -13.270 1.00 0.44 H new ATOM 832 N LEU A 60 16.807 3.244 -10.202 1.00 0.33 N ATOM 833 CA LEU A 60 17.813 3.212 -9.141 1.00 0.35 C ATOM 834 C LEU A 60 18.675 1.954 -9.253 1.00 0.36 C ATOM 835 O LEU A 60 19.664 1.807 -8.531 1.00 0.45 O ATOM 836 CB LEU A 60 17.156 3.265 -7.757 1.00 0.35 C ATOM 837 CG LEU A 60 16.448 4.573 -7.418 1.00 0.49 C ATOM 838 CD1 LEU A 60 15.912 4.529 -5.998 1.00 0.79 C ATOM 839 CD2 LEU A 60 17.389 5.754 -7.586 1.00 0.76 C ATOM 0 H LEU A 60 15.969 2.696 -10.006 1.00 0.33 H new ATOM 0 HA LEU A 60 18.447 4.091 -9.260 1.00 0.35 H new ATOM 0 HB2 LEU A 60 16.434 2.452 -7.685 1.00 0.35 H new ATOM 0 HB3 LEU A 60 17.921 3.080 -7.003 1.00 0.35 H new ATOM 0 HG LEU A 60 15.613 4.698 -8.107 1.00 0.49 H new ATOM 0 HD11 LEU A 60 15.409 5.469 -5.770 1.00 0.79 H new ATOM 0 HD12 LEU A 60 15.204 3.706 -5.902 1.00 0.79 H new ATOM 0 HD13 LEU A 60 16.738 4.381 -5.302 1.00 0.79 H new ATOM 0 HD21 LEU A 60 16.863 6.676 -7.339 1.00 0.76 H new ATOM 0 HD22 LEU A 60 18.245 5.635 -6.921 1.00 0.76 H new ATOM 0 HD23 LEU A 60 17.735 5.799 -8.619 1.00 0.76 H new ATOM 851 N SER A 61 18.279 1.063 -10.164 1.00 0.33 N ATOM 852 CA SER A 61 19.001 -0.182 -10.453 1.00 0.36 C ATOM 853 C SER A 61 18.892 -1.187 -9.295 1.00 0.33 C ATOM 854 O SER A 61 19.641 -1.121 -8.317 1.00 0.37 O ATOM 855 CB SER A 61 20.473 0.096 -10.798 1.00 0.45 C ATOM 856 OG SER A 61 21.104 -1.054 -11.343 1.00 0.64 O ATOM 0 H SER A 61 17.439 1.185 -10.729 1.00 0.33 H new ATOM 0 HA SER A 61 18.527 -0.633 -11.325 1.00 0.36 H new ATOM 0 HB2 SER A 61 20.532 0.918 -11.512 1.00 0.45 H new ATOM 0 HB3 SER A 61 21.005 0.414 -9.901 1.00 0.45 H new ATOM 0 HG SER A 61 22.038 -0.846 -11.554 1.00 0.64 H new ATOM 862 N PRO A 62 17.916 -2.114 -9.388 1.00 0.29 N ATOM 863 CA PRO A 62 17.729 -3.196 -8.407 1.00 0.31 C ATOM 864 C PRO A 62 18.915 -4.155 -8.311 1.00 0.32 C ATOM 865 O PRO A 62 19.742 -4.240 -9.218 1.00 0.46 O ATOM 866 CB PRO A 62 16.508 -3.964 -8.918 1.00 0.37 C ATOM 867 CG PRO A 62 16.282 -3.506 -10.323 1.00 0.36 C ATOM 868 CD PRO A 62 16.887 -2.141 -10.439 1.00 0.29 C ATOM 0 HA PRO A 62 17.617 -2.775 -7.408 1.00 0.31 H new ATOM 0 HB2 PRO A 62 16.682 -5.039 -8.883 1.00 0.37 H new ATOM 0 HB3 PRO A 62 15.634 -3.762 -8.298 1.00 0.37 H new ATOM 0 HG2 PRO A 62 16.743 -4.194 -11.032 1.00 0.36 H new ATOM 0 HG3 PRO A 62 15.217 -3.477 -10.553 1.00 0.36 H new ATOM 0 HD2 PRO A 62 17.321 -1.980 -11.426 1.00 0.29 H new ATOM 0 HD3 PRO A 62 16.142 -1.360 -10.287 1.00 0.29 H new ATOM 876 N VAL A 63 18.969 -4.882 -7.201 1.00 0.33 N ATOM 877 CA VAL A 63 19.995 -5.889 -6.968 1.00 0.42 C ATOM 878 C VAL A 63 19.346 -7.211 -6.550 1.00 0.44 C ATOM 879 O VAL A 63 18.892 -7.353 -5.419 1.00 0.45 O ATOM 880 CB VAL A 63 20.983 -5.438 -5.866 1.00 0.58 C ATOM 881 CG1 VAL A 63 22.039 -6.502 -5.604 1.00 1.33 C ATOM 882 CG2 VAL A 63 21.642 -4.111 -6.225 1.00 1.28 C ATOM 0 H VAL A 63 18.301 -4.789 -6.436 1.00 0.33 H new ATOM 0 HA VAL A 63 20.547 -6.024 -7.898 1.00 0.42 H new ATOM 0 HB VAL A 63 20.408 -5.296 -4.951 1.00 0.58 H new ATOM 0 HG11 VAL A 63 22.718 -6.156 -4.825 1.00 1.33 H new ATOM 0 HG12 VAL A 63 21.555 -7.423 -5.280 1.00 1.33 H new ATOM 0 HG13 VAL A 63 22.601 -6.690 -6.519 1.00 1.33 H new ATOM 0 HG21 VAL A 63 22.331 -3.820 -5.432 1.00 1.28 H new ATOM 0 HG22 VAL A 63 22.191 -4.219 -7.161 1.00 1.28 H new ATOM 0 HG23 VAL A 63 20.876 -3.344 -6.340 1.00 1.28 H new ATOM 892 N ASN A 64 19.276 -8.155 -7.486 1.00 0.54 N ATOM 893 CA ASN A 64 18.723 -9.496 -7.233 1.00 0.63 C ATOM 894 C ASN A 64 17.222 -9.446 -6.928 1.00 0.55 C ATOM 895 O ASN A 64 16.687 -10.306 -6.234 1.00 0.60 O ATOM 896 CB ASN A 64 19.469 -10.205 -6.093 1.00 0.71 C ATOM 897 CG ASN A 64 20.885 -10.584 -6.477 1.00 1.08 C ATOM 898 OD1 ASN A 64 21.123 -11.646 -7.049 1.00 1.42 O ATOM 899 ND2 ASN A 64 21.833 -9.730 -6.138 1.00 1.67 N ATOM 0 H ASN A 64 19.600 -8.018 -8.444 1.00 0.54 H new ATOM 0 HA ASN A 64 18.864 -10.070 -8.149 1.00 0.63 H new ATOM 0 HB2 ASN A 64 19.494 -9.554 -5.219 1.00 0.71 H new ATOM 0 HB3 ASN A 64 18.921 -11.102 -5.806 1.00 0.71 H new ATOM 0 HD21 ASN A 64 22.808 -9.940 -6.350 1.00 1.67 H new ATOM 0 HD22 ASN A 64 21.590 -8.860 -5.664 1.00 1.67 H new ATOM 906 N GLY A 65 16.546 -8.444 -7.467 1.00 0.49 N ATOM 907 CA GLY A 65 15.097 -8.377 -7.359 1.00 0.50 C ATOM 908 C GLY A 65 14.622 -7.552 -6.183 1.00 0.39 C ATOM 909 O GLY A 65 13.511 -7.739 -5.697 1.00 0.49 O ATOM 0 H GLY A 65 16.972 -7.672 -7.979 1.00 0.49 H new ATOM 0 HA2 GLY A 65 14.690 -7.955 -8.278 1.00 0.50 H new ATOM 0 HA3 GLY A 65 14.699 -9.388 -7.269 1.00 0.50 H new ATOM 913 N LYS A 66 15.479 -6.667 -5.701 1.00 0.33 N ATOM 914 CA LYS A 66 15.122 -5.718 -4.655 1.00 0.26 C ATOM 915 C LYS A 66 16.248 -4.709 -4.528 1.00 0.21 C ATOM 916 O LYS A 66 17.392 -5.018 -4.857 1.00 0.27 O ATOM 917 CB LYS A 66 14.862 -6.417 -3.302 1.00 0.30 C ATOM 918 CG LYS A 66 16.098 -6.985 -2.615 1.00 0.75 C ATOM 919 CD LYS A 66 16.779 -8.062 -3.442 1.00 0.61 C ATOM 920 CE LYS A 66 16.177 -9.450 -3.247 1.00 1.21 C ATOM 921 NZ LYS A 66 14.724 -9.528 -3.570 1.00 1.82 N ATOM 0 H LYS A 66 16.443 -6.585 -6.023 1.00 0.33 H new ATOM 0 HA LYS A 66 14.192 -5.220 -4.929 1.00 0.26 H new ATOM 0 HB2 LYS A 66 14.388 -5.703 -2.628 1.00 0.30 H new ATOM 0 HB3 LYS A 66 14.150 -7.227 -3.461 1.00 0.30 H new ATOM 0 HG2 LYS A 66 16.805 -6.178 -2.421 1.00 0.75 H new ATOM 0 HG3 LYS A 66 15.814 -7.399 -1.648 1.00 0.75 H new ATOM 0 HD2 LYS A 66 16.717 -7.793 -4.496 1.00 0.61 H new ATOM 0 HD3 LYS A 66 17.837 -8.094 -3.182 1.00 0.61 H new ATOM 0 HE2 LYS A 66 16.717 -10.161 -3.872 1.00 1.21 H new ATOM 0 HE3 LYS A 66 16.326 -9.758 -2.212 1.00 1.21 H new ATOM 0 HZ1 LYS A 66 14.442 -10.525 -3.662 1.00 1.82 H new ATOM 0 HZ2 LYS A 66 14.175 -9.082 -2.808 1.00 1.82 H new ATOM 0 HZ3 LYS A 66 14.540 -9.032 -4.465 1.00 1.82 H new ATOM 935 N ILE A 67 15.947 -3.501 -4.100 1.00 0.18 N ATOM 936 CA ILE A 67 17.010 -2.546 -3.848 1.00 0.20 C ATOM 937 C ILE A 67 17.466 -2.642 -2.416 1.00 0.19 C ATOM 938 O ILE A 67 16.650 -2.821 -1.510 1.00 0.21 O ATOM 939 CB ILE A 67 16.615 -1.084 -4.128 1.00 0.25 C ATOM 940 CG1 ILE A 67 15.127 -0.853 -3.864 1.00 0.29 C ATOM 941 CG2 ILE A 67 16.997 -0.684 -5.548 1.00 0.41 C ATOM 942 CD1 ILE A 67 14.681 0.559 -4.137 1.00 0.35 C ATOM 0 H ILE A 67 15.002 -3.161 -3.922 1.00 0.18 H new ATOM 0 HA ILE A 67 17.809 -2.811 -4.541 1.00 0.20 H new ATOM 0 HB ILE A 67 17.170 -0.446 -3.440 1.00 0.25 H new ATOM 0 HG12 ILE A 67 14.546 -1.536 -4.484 1.00 0.29 H new ATOM 0 HG13 ILE A 67 14.908 -1.101 -2.825 1.00 0.29 H new ATOM 0 HG21 ILE A 67 16.709 0.352 -5.724 1.00 0.41 H new ATOM 0 HG22 ILE A 67 18.074 -0.788 -5.678 1.00 0.41 H new ATOM 0 HG23 ILE A 67 16.482 -1.330 -6.259 1.00 0.41 H new ATOM 0 HD11 ILE A 67 13.615 0.651 -3.929 1.00 0.35 H new ATOM 0 HD12 ILE A 67 15.236 1.246 -3.498 1.00 0.35 H new ATOM 0 HD13 ILE A 67 14.869 0.804 -5.182 1.00 0.35 H new ATOM 954 N THR A 68 18.769 -2.558 -2.221 1.00 0.24 N ATOM 955 CA THR A 68 19.309 -2.404 -0.894 1.00 0.30 C ATOM 956 C THR A 68 18.766 -1.115 -0.304 1.00 0.36 C ATOM 957 O THR A 68 18.624 -0.110 -1.008 1.00 0.70 O ATOM 958 CB THR A 68 20.848 -2.422 -0.903 1.00 0.44 C ATOM 959 OG1 THR A 68 21.364 -1.544 -1.914 1.00 0.65 O ATOM 960 CG2 THR A 68 21.354 -3.832 -1.150 1.00 0.55 C ATOM 0 H THR A 68 19.466 -2.594 -2.965 1.00 0.24 H new ATOM 0 HA THR A 68 19.001 -3.246 -0.274 1.00 0.30 H new ATOM 0 HB THR A 68 21.195 -2.077 0.071 1.00 0.44 H new ATOM 0 HG1 THR A 68 22.344 -1.570 -1.901 1.00 0.65 H new ATOM 0 HG21 THR A 68 22.444 -3.832 -1.154 1.00 0.55 H new ATOM 0 HG22 THR A 68 20.994 -4.491 -0.360 1.00 0.55 H new ATOM 0 HG23 THR A 68 20.988 -4.187 -2.113 1.00 0.55 H new ATOM 968 N GLY A 69 18.423 -1.159 0.966 1.00 0.29 N ATOM 969 CA GLY A 69 17.605 -0.124 1.549 1.00 0.31 C ATOM 970 C GLY A 69 18.117 1.283 1.354 1.00 0.31 C ATOM 971 O GLY A 69 17.320 2.192 1.165 1.00 0.38 O ATOM 0 H GLY A 69 18.699 -1.900 1.611 1.00 0.29 H new ATOM 0 HA2 GLY A 69 16.603 -0.192 1.124 1.00 0.31 H new ATOM 0 HA3 GLY A 69 17.512 -0.315 2.618 1.00 0.31 H new ATOM 975 N ALA A 70 19.429 1.466 1.376 1.00 0.33 N ATOM 976 CA ALA A 70 20.030 2.801 1.243 1.00 0.37 C ATOM 977 C ALA A 70 19.571 3.536 -0.023 1.00 0.35 C ATOM 978 O ALA A 70 19.618 4.766 -0.083 1.00 0.39 O ATOM 979 CB ALA A 70 21.544 2.694 1.270 1.00 0.44 C ATOM 0 H ALA A 70 20.106 0.710 1.485 1.00 0.33 H new ATOM 0 HA ALA A 70 19.687 3.393 2.092 1.00 0.37 H new ATOM 0 HB1 ALA A 70 21.981 3.688 1.171 1.00 0.44 H new ATOM 0 HB2 ALA A 70 21.861 2.251 2.214 1.00 0.44 H new ATOM 0 HB3 ALA A 70 21.879 2.066 0.444 1.00 0.44 H new ATOM 985 N ASN A 71 19.113 2.790 -1.024 1.00 0.35 N ATOM 986 CA ASN A 71 18.678 3.379 -2.285 1.00 0.37 C ATOM 987 C ASN A 71 17.264 3.930 -2.134 1.00 0.34 C ATOM 988 O ASN A 71 16.936 5.016 -2.621 1.00 0.34 O ATOM 989 CB ASN A 71 18.713 2.321 -3.388 1.00 0.47 C ATOM 990 CG ASN A 71 19.991 1.503 -3.359 1.00 1.01 C ATOM 991 OD1 ASN A 71 21.076 2.019 -3.087 1.00 2.11 O ATOM 992 ND2 ASN A 71 19.858 0.214 -3.608 1.00 1.00 N ATOM 0 H ASN A 71 19.034 1.774 -0.985 1.00 0.35 H new ATOM 0 HA ASN A 71 19.350 4.194 -2.554 1.00 0.37 H new ATOM 0 HB2 ASN A 71 17.856 1.656 -3.279 1.00 0.47 H new ATOM 0 HB3 ASN A 71 18.617 2.808 -4.359 1.00 0.47 H new ATOM 0 HD21 ASN A 71 20.674 -0.398 -3.579 1.00 1.00 H new ATOM 0 HD22 ASN A 71 18.940 -0.171 -3.829 1.00 1.00 H new ATOM 999 N ALA A 72 16.432 3.176 -1.434 1.00 0.35 N ATOM 1000 CA ALA A 72 15.080 3.613 -1.143 1.00 0.35 C ATOM 1001 C ALA A 72 15.111 4.696 -0.081 1.00 0.31 C ATOM 1002 O ALA A 72 14.281 5.604 -0.070 1.00 0.30 O ATOM 1003 CB ALA A 72 14.244 2.439 -0.688 1.00 0.42 C ATOM 0 H ALA A 72 16.671 2.259 -1.058 1.00 0.35 H new ATOM 0 HA ALA A 72 14.629 4.024 -2.046 1.00 0.35 H new ATOM 0 HB1 ALA A 72 13.230 2.776 -0.472 1.00 0.42 H new ATOM 0 HB2 ALA A 72 14.216 1.686 -1.475 1.00 0.42 H new ATOM 0 HB3 ALA A 72 14.682 2.007 0.212 1.00 0.42 H new ATOM 1009 N LYS A 73 16.099 4.601 0.797 1.00 0.31 N ATOM 1010 CA LYS A 73 16.342 5.634 1.789 1.00 0.31 C ATOM 1011 C LYS A 73 16.732 6.909 1.074 1.00 0.29 C ATOM 1012 O LYS A 73 16.374 7.996 1.493 1.00 0.30 O ATOM 1013 CB LYS A 73 17.443 5.218 2.766 1.00 0.37 C ATOM 1014 CG LYS A 73 17.101 3.972 3.563 1.00 0.39 C ATOM 1015 CD LYS A 73 15.844 4.170 4.389 1.00 0.44 C ATOM 1016 CE LYS A 73 16.114 4.999 5.633 1.00 0.85 C ATOM 1017 NZ LYS A 73 17.056 4.316 6.560 1.00 1.69 N ATOM 0 H LYS A 73 16.747 3.815 0.841 1.00 0.31 H new ATOM 0 HA LYS A 73 15.433 5.791 2.369 1.00 0.31 H new ATOM 0 HB2 LYS A 73 18.365 5.044 2.211 1.00 0.37 H new ATOM 0 HB3 LYS A 73 17.637 6.040 3.455 1.00 0.37 H new ATOM 0 HG2 LYS A 73 16.963 3.131 2.884 1.00 0.39 H new ATOM 0 HG3 LYS A 73 17.933 3.719 4.220 1.00 0.39 H new ATOM 0 HD2 LYS A 73 15.083 4.661 3.782 1.00 0.44 H new ATOM 0 HD3 LYS A 73 15.442 3.199 4.679 1.00 0.44 H new ATOM 0 HE2 LYS A 73 16.526 5.965 5.343 1.00 0.85 H new ATOM 0 HE3 LYS A 73 15.174 5.195 6.150 1.00 0.85 H new ATOM 0 HZ1 LYS A 73 16.936 4.697 7.520 1.00 1.69 H new ATOM 0 HZ2 LYS A 73 16.859 3.295 6.565 1.00 1.69 H new ATOM 0 HZ3 LYS A 73 18.033 4.478 6.243 1.00 1.69 H new ATOM 1031 N LYS A 74 17.450 6.745 -0.024 1.00 0.31 N ATOM 1032 CA LYS A 74 17.829 7.854 -0.881 1.00 0.34 C ATOM 1033 C LYS A 74 16.585 8.565 -1.393 1.00 0.31 C ATOM 1034 O LYS A 74 16.509 9.793 -1.396 1.00 0.33 O ATOM 1035 CB LYS A 74 18.646 7.330 -2.059 1.00 0.44 C ATOM 1036 CG LYS A 74 19.516 8.379 -2.711 1.00 0.83 C ATOM 1037 CD LYS A 74 20.532 8.923 -1.726 1.00 1.02 C ATOM 1038 CE LYS A 74 21.388 7.811 -1.125 1.00 0.96 C ATOM 1039 NZ LYS A 74 22.069 6.995 -2.168 1.00 1.35 N ATOM 0 H LYS A 74 17.787 5.838 -0.346 1.00 0.31 H new ATOM 0 HA LYS A 74 18.429 8.561 -0.309 1.00 0.34 H new ATOM 0 HB2 LYS A 74 19.277 6.510 -1.716 1.00 0.44 H new ATOM 0 HB3 LYS A 74 17.967 6.919 -2.806 1.00 0.44 H new ATOM 0 HG2 LYS A 74 20.030 7.949 -3.570 1.00 0.83 H new ATOM 0 HG3 LYS A 74 18.894 9.192 -3.086 1.00 0.83 H new ATOM 0 HD2 LYS A 74 21.175 9.646 -2.228 1.00 1.02 H new ATOM 0 HD3 LYS A 74 20.016 9.456 -0.928 1.00 1.02 H new ATOM 0 HE2 LYS A 74 22.136 8.249 -0.464 1.00 0.96 H new ATOM 0 HE3 LYS A 74 20.761 7.163 -0.513 1.00 0.96 H new ATOM 0 HZ1 LYS A 74 22.753 6.355 -1.716 1.00 1.35 H new ATOM 0 HZ2 LYS A 74 21.363 6.436 -2.687 1.00 1.35 H new ATOM 0 HZ3 LYS A 74 22.568 7.624 -2.830 1.00 1.35 H new ATOM 1053 N GLU A 75 15.616 7.771 -1.821 1.00 0.34 N ATOM 1054 CA GLU A 75 14.329 8.306 -2.290 1.00 0.38 C ATOM 1055 C GLU A 75 13.611 9.097 -1.198 1.00 0.34 C ATOM 1056 O GLU A 75 13.227 10.251 -1.391 1.00 0.38 O ATOM 1057 CB GLU A 75 13.404 7.186 -2.765 1.00 0.47 C ATOM 1058 CG GLU A 75 13.742 6.629 -4.132 1.00 0.62 C ATOM 1059 CD GLU A 75 13.838 7.701 -5.200 1.00 0.96 C ATOM 1060 OE1 GLU A 75 12.833 8.409 -5.435 1.00 1.48 O ATOM 1061 OE2 GLU A 75 14.918 7.851 -5.805 1.00 1.36 O ATOM 0 H GLU A 75 15.687 6.754 -1.857 1.00 0.34 H new ATOM 0 HA GLU A 75 14.559 8.972 -3.122 1.00 0.38 H new ATOM 0 HB2 GLU A 75 13.434 6.374 -2.038 1.00 0.47 H new ATOM 0 HB3 GLU A 75 12.380 7.560 -2.782 1.00 0.47 H new ATOM 0 HG2 GLU A 75 14.690 6.093 -4.076 1.00 0.62 H new ATOM 0 HG3 GLU A 75 12.982 5.903 -4.421 1.00 0.62 H new ATOM 1068 N MET A 76 13.436 8.480 -0.044 1.00 0.31 N ATOM 1069 CA MET A 76 12.737 9.125 1.062 1.00 0.32 C ATOM 1070 C MET A 76 13.588 10.250 1.664 1.00 0.31 C ATOM 1071 O MET A 76 13.073 11.133 2.346 1.00 0.36 O ATOM 1072 CB MET A 76 12.323 8.085 2.112 1.00 0.33 C ATOM 1073 CG MET A 76 13.395 7.063 2.424 1.00 0.50 C ATOM 1074 SD MET A 76 12.892 5.866 3.675 1.00 0.65 S ATOM 1075 CE MET A 76 11.720 4.876 2.752 1.00 0.46 C ATOM 0 H MET A 76 13.766 7.536 0.156 1.00 0.31 H new ATOM 0 HA MET A 76 11.825 9.586 0.682 1.00 0.32 H new ATOM 0 HB2 MET A 76 12.050 8.602 3.032 1.00 0.33 H new ATOM 0 HB3 MET A 76 11.431 7.565 1.761 1.00 0.33 H new ATOM 0 HG2 MET A 76 13.660 6.533 1.509 1.00 0.50 H new ATOM 0 HG3 MET A 76 14.292 7.580 2.765 1.00 0.50 H new ATOM 0 HE1 MET A 76 11.256 4.148 3.417 1.00 0.46 H new ATOM 0 HE2 MET A 76 10.951 5.523 2.329 1.00 0.46 H new ATOM 0 HE3 MET A 76 12.238 4.354 1.948 1.00 0.46 H new ATOM 1085 N VAL A 77 14.889 10.220 1.384 1.00 0.30 N ATOM 1086 CA VAL A 77 15.785 11.319 1.744 1.00 0.34 C ATOM 1087 C VAL A 77 15.571 12.519 0.820 1.00 0.37 C ATOM 1088 O VAL A 77 15.421 13.647 1.292 1.00 0.41 O ATOM 1089 CB VAL A 77 17.275 10.889 1.702 1.00 0.39 C ATOM 1090 CG1 VAL A 77 18.187 12.066 1.394 1.00 0.59 C ATOM 1091 CG2 VAL A 77 17.682 10.256 3.026 1.00 0.42 C ATOM 0 H VAL A 77 15.348 9.444 0.907 1.00 0.30 H new ATOM 0 HA VAL A 77 15.542 11.604 2.768 1.00 0.34 H new ATOM 0 HB VAL A 77 17.383 10.156 0.902 1.00 0.39 H new ATOM 0 HG11 VAL A 77 19.223 11.728 1.373 1.00 0.59 H new ATOM 0 HG12 VAL A 77 17.923 12.487 0.424 1.00 0.59 H new ATOM 0 HG13 VAL A 77 18.070 12.828 2.164 1.00 0.59 H new ATOM 0 HG21 VAL A 77 18.730 9.960 2.981 1.00 0.42 H new ATOM 0 HG22 VAL A 77 17.543 10.977 3.832 1.00 0.42 H new ATOM 0 HG23 VAL A 77 17.064 9.378 3.214 1.00 0.42 H new ATOM 1101 N LYS A 78 15.532 12.275 -0.495 1.00 0.39 N ATOM 1102 CA LYS A 78 15.378 13.355 -1.470 1.00 0.45 C ATOM 1103 C LYS A 78 13.969 13.934 -1.402 1.00 0.48 C ATOM 1104 O LYS A 78 13.692 14.993 -1.963 1.00 0.59 O ATOM 1105 CB LYS A 78 15.681 12.860 -2.885 1.00 0.54 C ATOM 1106 CG LYS A 78 14.717 11.805 -3.375 1.00 0.76 C ATOM 1107 CD LYS A 78 15.061 11.332 -4.769 1.00 0.84 C ATOM 1108 CE LYS A 78 16.396 10.608 -4.802 1.00 1.08 C ATOM 1109 NZ LYS A 78 16.591 9.860 -6.073 1.00 1.20 N ATOM 0 H LYS A 78 15.605 11.344 -0.905 1.00 0.39 H new ATOM 0 HA LYS A 78 16.093 14.140 -1.223 1.00 0.45 H new ATOM 0 HB2 LYS A 78 15.658 13.707 -3.570 1.00 0.54 H new ATOM 0 HB3 LYS A 78 16.693 12.456 -2.911 1.00 0.54 H new ATOM 0 HG2 LYS A 78 14.728 10.957 -2.691 1.00 0.76 H new ATOM 0 HG3 LYS A 78 13.704 12.207 -3.368 1.00 0.76 H new ATOM 0 HD2 LYS A 78 14.277 10.667 -5.132 1.00 0.84 H new ATOM 0 HD3 LYS A 78 15.093 12.186 -5.446 1.00 0.84 H new ATOM 0 HE2 LYS A 78 17.203 11.330 -4.678 1.00 1.08 H new ATOM 0 HE3 LYS A 78 16.455 9.917 -3.961 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 17.608 9.772 -6.272 1.00 1.20 H new ATOM 0 HZ2 LYS A 78 16.172 8.912 -5.986 1.00 1.20 H new ATOM 0 HZ3 LYS A 78 16.129 10.372 -6.852 1.00 1.20 H new ATOM 1123 N SER A 79 13.078 13.218 -0.717 1.00 0.44 N ATOM 1124 CA SER A 79 11.764 13.752 -0.380 1.00 0.51 C ATOM 1125 C SER A 79 11.896 14.930 0.598 1.00 0.55 C ATOM 1126 O SER A 79 10.909 15.600 0.916 1.00 0.64 O ATOM 1127 CB SER A 79 10.868 12.665 0.224 1.00 0.53 C ATOM 1128 OG SER A 79 9.596 13.199 0.565 1.00 1.37 O ATOM 0 H SER A 79 13.244 12.268 -0.386 1.00 0.44 H new ATOM 0 HA SER A 79 11.300 14.108 -1.300 1.00 0.51 H new ATOM 0 HB2 SER A 79 10.747 11.849 -0.488 1.00 0.53 H new ATOM 0 HB3 SER A 79 11.343 12.246 1.111 1.00 0.53 H new ATOM 0 HG SER A 79 9.670 14.169 0.685 1.00 1.37 H new ATOM 1134 N LYS A 80 13.126 15.148 1.072 1.00 0.54 N ATOM 1135 CA LYS A 80 13.480 16.273 1.937 1.00 0.61 C ATOM 1136 C LYS A 80 12.827 16.132 3.306 1.00 0.62 C ATOM 1137 O LYS A 80 11.943 16.910 3.673 1.00 0.75 O ATOM 1138 CB LYS A 80 13.090 17.599 1.284 1.00 0.70 C ATOM 1139 CG LYS A 80 13.699 17.797 -0.094 1.00 1.01 C ATOM 1140 CD LYS A 80 13.114 19.018 -0.783 1.00 1.31 C ATOM 1141 CE LYS A 80 13.635 19.168 -2.200 1.00 1.94 C ATOM 1142 NZ LYS A 80 13.033 20.346 -2.881 1.00 2.65 N ATOM 0 H LYS A 80 13.915 14.537 0.861 1.00 0.54 H new ATOM 0 HA LYS A 80 14.561 16.266 2.077 1.00 0.61 H new ATOM 0 HB2 LYS A 80 12.004 17.650 1.204 1.00 0.70 H new ATOM 0 HB3 LYS A 80 13.401 18.419 1.931 1.00 0.70 H new ATOM 0 HG2 LYS A 80 14.779 17.910 -0.004 1.00 1.01 H new ATOM 0 HG3 LYS A 80 13.520 16.912 -0.704 1.00 1.01 H new ATOM 0 HD2 LYS A 80 12.027 18.939 -0.802 1.00 1.31 H new ATOM 0 HD3 LYS A 80 13.359 19.912 -0.209 1.00 1.31 H new ATOM 0 HE2 LYS A 80 14.720 19.273 -2.181 1.00 1.94 H new ATOM 0 HE3 LYS A 80 13.412 18.265 -2.768 1.00 1.94 H new ATOM 0 HZ1 LYS A 80 13.411 20.419 -3.847 1.00 2.65 H new ATOM 0 HZ2 LYS A 80 12.000 20.234 -2.921 1.00 2.65 H new ATOM 0 HZ3 LYS A 80 13.267 21.210 -2.352 1.00 2.65 H new ATOM 1156 N LEU A 81 13.266 15.133 4.056 1.00 0.66 N ATOM 1157 CA LEU A 81 12.667 14.824 5.344 1.00 0.69 C ATOM 1158 C LEU A 81 13.731 14.629 6.406 1.00 0.73 C ATOM 1159 O LEU A 81 14.898 14.381 6.098 1.00 0.75 O ATOM 1160 CB LEU A 81 11.838 13.548 5.249 1.00 0.70 C ATOM 1161 CG LEU A 81 10.819 13.521 4.112 1.00 0.68 C ATOM 1162 CD1 LEU A 81 10.280 12.111 3.906 1.00 1.16 C ATOM 1163 CD2 LEU A 81 9.682 14.491 4.401 1.00 1.08 C ATOM 0 H LEU A 81 14.038 14.521 3.793 1.00 0.66 H new ATOM 0 HA LEU A 81 12.031 15.665 5.621 1.00 0.69 H new ATOM 0 HB2 LEU A 81 12.514 12.702 5.130 1.00 0.70 H new ATOM 0 HB3 LEU A 81 11.311 13.405 6.192 1.00 0.70 H new ATOM 0 HG LEU A 81 11.317 13.832 3.194 1.00 0.68 H new ATOM 0 HD11 LEU A 81 9.556 12.114 3.092 1.00 1.16 H new ATOM 0 HD12 LEU A 81 11.102 11.440 3.658 1.00 1.16 H new ATOM 0 HD13 LEU A 81 9.796 11.769 4.821 1.00 1.16 H new ATOM 0 HD21 LEU A 81 8.962 14.462 3.583 1.00 1.08 H new ATOM 0 HD22 LEU A 81 9.187 14.206 5.329 1.00 1.08 H new ATOM 0 HD23 LEU A 81 10.081 15.501 4.498 1.00 1.08 H new ATOM 1175 N PRO A 82 13.339 14.756 7.679 1.00 0.78 N ATOM 1176 CA PRO A 82 14.188 14.381 8.801 1.00 0.84 C ATOM 1177 C PRO A 82 14.213 12.866 8.983 1.00 0.75 C ATOM 1178 O PRO A 82 13.347 12.154 8.468 1.00 0.70 O ATOM 1179 CB PRO A 82 13.521 15.056 9.995 1.00 0.95 C ATOM 1180 CG PRO A 82 12.084 15.152 9.618 1.00 0.91 C ATOM 1181 CD PRO A 82 12.042 15.296 8.125 1.00 0.82 C ATOM 0 HA PRO A 82 15.226 14.684 8.665 1.00 0.84 H new ATOM 0 HB2 PRO A 82 13.654 14.472 10.906 1.00 0.95 H new ATOM 0 HB3 PRO A 82 13.948 16.041 10.183 1.00 0.95 H new ATOM 0 HG2 PRO A 82 11.539 14.263 9.937 1.00 0.91 H new ATOM 0 HG3 PRO A 82 11.612 16.006 10.103 1.00 0.91 H new ATOM 0 HD2 PRO A 82 11.209 14.741 7.694 1.00 0.82 H new ATOM 0 HD3 PRO A 82 11.919 16.337 7.828 1.00 0.82 H new ATOM 1189 N ASN A 83 15.188 12.378 9.734 1.00 0.79 N ATOM 1190 CA ASN A 83 15.393 10.941 9.903 1.00 0.72 C ATOM 1191 C ASN A 83 14.190 10.257 10.556 1.00 0.65 C ATOM 1192 O ASN A 83 13.984 9.055 10.383 1.00 0.61 O ATOM 1193 CB ASN A 83 16.655 10.662 10.714 1.00 0.82 C ATOM 1194 CG ASN A 83 17.927 10.749 9.880 1.00 1.10 C ATOM 1195 OD1 ASN A 83 18.928 10.100 10.191 1.00 1.53 O ATOM 1196 ND2 ASN A 83 17.900 11.526 8.803 1.00 1.16 N ATOM 0 H ASN A 83 15.856 12.958 10.241 1.00 0.79 H new ATOM 0 HA ASN A 83 15.511 10.522 8.904 1.00 0.72 H new ATOM 0 HB2 ASN A 83 16.717 11.374 11.537 1.00 0.82 H new ATOM 0 HB3 ASN A 83 16.584 9.668 11.157 1.00 0.82 H new ATOM 0 HD21 ASN A 83 18.724 11.598 8.206 1.00 1.16 H new ATOM 0 HD22 ASN A 83 17.056 12.050 8.573 1.00 1.16 H new ATOM 1203 N THR A 84 13.402 11.022 11.301 1.00 0.67 N ATOM 1204 CA THR A 84 12.199 10.505 11.937 1.00 0.67 C ATOM 1205 C THR A 84 11.192 10.028 10.886 1.00 0.58 C ATOM 1206 O THR A 84 10.674 8.905 10.962 1.00 0.53 O ATOM 1207 CB THR A 84 11.549 11.589 12.816 1.00 0.77 C ATOM 1208 OG1 THR A 84 12.572 12.298 13.530 1.00 1.11 O ATOM 1209 CG2 THR A 84 10.573 10.967 13.802 1.00 1.24 C ATOM 0 H THR A 84 13.578 12.011 11.480 1.00 0.67 H new ATOM 0 HA THR A 84 12.485 9.659 12.562 1.00 0.67 H new ATOM 0 HB THR A 84 11.000 12.279 12.175 1.00 0.77 H new ATOM 0 HG1 THR A 84 12.161 12.990 14.089 1.00 1.11 H new ATOM 0 HG21 THR A 84 10.125 11.750 14.413 1.00 1.24 H new ATOM 0 HG22 THR A 84 9.790 10.440 13.256 1.00 1.24 H new ATOM 0 HG23 THR A 84 11.103 10.264 14.444 1.00 1.24 H new ATOM 1217 N VAL A 85 10.942 10.876 9.893 1.00 0.59 N ATOM 1218 CA VAL A 85 10.019 10.542 8.820 1.00 0.55 C ATOM 1219 C VAL A 85 10.604 9.409 7.986 1.00 0.49 C ATOM 1220 O VAL A 85 9.905 8.466 7.639 1.00 0.45 O ATOM 1221 CB VAL A 85 9.723 11.759 7.922 1.00 0.60 C ATOM 1222 CG1 VAL A 85 8.618 11.436 6.934 1.00 0.56 C ATOM 1223 CG2 VAL A 85 9.336 12.964 8.762 1.00 0.72 C ATOM 0 H VAL A 85 11.367 11.800 9.811 1.00 0.59 H new ATOM 0 HA VAL A 85 9.076 10.227 9.267 1.00 0.55 H new ATOM 0 HB VAL A 85 10.630 11.999 7.367 1.00 0.60 H new ATOM 0 HG11 VAL A 85 8.423 12.307 6.309 1.00 0.56 H new ATOM 0 HG12 VAL A 85 8.925 10.600 6.306 1.00 0.56 H new ATOM 0 HG13 VAL A 85 7.711 11.169 7.477 1.00 0.56 H new ATOM 0 HG21 VAL A 85 9.131 13.812 8.109 1.00 0.72 H new ATOM 0 HG22 VAL A 85 8.444 12.731 9.344 1.00 0.72 H new ATOM 0 HG23 VAL A 85 10.154 13.215 9.437 1.00 0.72 H new ATOM 1233 N LEU A 86 11.896 9.520 7.695 1.00 0.50 N ATOM 1234 CA LEU A 86 12.663 8.451 7.046 1.00 0.50 C ATOM 1235 C LEU A 86 12.389 7.106 7.704 1.00 0.40 C ATOM 1236 O LEU A 86 11.943 6.158 7.058 1.00 0.38 O ATOM 1237 CB LEU A 86 14.160 8.748 7.160 1.00 0.62 C ATOM 1238 CG LEU A 86 14.779 9.566 6.025 1.00 0.72 C ATOM 1239 CD1 LEU A 86 14.937 8.704 4.796 1.00 1.45 C ATOM 1240 CD2 LEU A 86 13.946 10.795 5.701 1.00 1.34 C ATOM 0 H LEU A 86 12.446 10.354 7.901 1.00 0.50 H new ATOM 0 HA LEU A 86 12.360 8.408 6.000 1.00 0.50 H new ATOM 0 HB2 LEU A 86 14.333 9.278 8.097 1.00 0.62 H new ATOM 0 HB3 LEU A 86 14.692 7.799 7.227 1.00 0.62 H new ATOM 0 HG LEU A 86 15.759 9.909 6.355 1.00 0.72 H new ATOM 0 HD11 LEU A 86 15.378 9.294 3.992 1.00 1.45 H new ATOM 0 HD12 LEU A 86 15.587 7.859 5.025 1.00 1.45 H new ATOM 0 HD13 LEU A 86 13.960 8.336 4.482 1.00 1.45 H new ATOM 0 HD21 LEU A 86 14.417 11.351 4.890 1.00 1.34 H new ATOM 0 HD22 LEU A 86 12.946 10.487 5.396 1.00 1.34 H new ATOM 0 HD23 LEU A 86 13.876 11.430 6.584 1.00 1.34 H new ATOM 1252 N GLY A 87 12.648 7.054 9.004 1.00 0.39 N ATOM 1253 CA GLY A 87 12.535 5.818 9.745 1.00 0.39 C ATOM 1254 C GLY A 87 11.136 5.233 9.745 1.00 0.33 C ATOM 1255 O GLY A 87 10.976 4.017 9.618 1.00 0.37 O ATOM 0 H GLY A 87 12.938 7.857 9.562 1.00 0.39 H new ATOM 0 HA2 GLY A 87 13.225 5.087 9.323 1.00 0.39 H new ATOM 0 HA3 GLY A 87 12.846 5.992 10.775 1.00 0.39 H new ATOM 1259 N LYS A 88 10.113 6.070 9.882 1.00 0.34 N ATOM 1260 CA LYS A 88 8.761 5.543 9.977 1.00 0.37 C ATOM 1261 C LYS A 88 8.140 5.300 8.607 1.00 0.34 C ATOM 1262 O LYS A 88 7.260 4.454 8.471 1.00 0.41 O ATOM 1263 CB LYS A 88 7.861 6.407 10.855 1.00 0.49 C ATOM 1264 CG LYS A 88 7.559 7.787 10.320 1.00 0.65 C ATOM 1265 CD LYS A 88 6.469 8.423 11.163 1.00 0.98 C ATOM 1266 CE LYS A 88 6.260 9.890 10.854 1.00 1.52 C ATOM 1267 NZ LYS A 88 5.246 10.478 11.766 1.00 1.66 N ATOM 0 H LYS A 88 10.191 7.086 9.928 1.00 0.34 H new ATOM 0 HA LYS A 88 8.846 4.573 10.467 1.00 0.37 H new ATOM 0 HB2 LYS A 88 6.918 5.881 11.007 1.00 0.49 H new ATOM 0 HB3 LYS A 88 8.329 6.511 11.834 1.00 0.49 H new ATOM 0 HG2 LYS A 88 8.458 8.403 10.342 1.00 0.65 H new ATOM 0 HG3 LYS A 88 7.241 7.725 9.279 1.00 0.65 H new ATOM 0 HD2 LYS A 88 5.534 7.887 11.002 1.00 0.98 H new ATOM 0 HD3 LYS A 88 6.722 8.312 12.217 1.00 0.98 H new ATOM 0 HE2 LYS A 88 7.203 10.427 10.956 1.00 1.52 H new ATOM 0 HE3 LYS A 88 5.937 10.007 9.819 1.00 1.52 H new ATOM 0 HZ1 LYS A 88 5.285 11.516 11.705 1.00 1.66 H new ATOM 0 HZ2 LYS A 88 4.299 10.150 11.489 1.00 1.66 H new ATOM 0 HZ3 LYS A 88 5.444 10.181 12.743 1.00 1.66 H new ATOM 1281 N ILE A 89 8.602 6.015 7.589 1.00 0.30 N ATOM 1282 CA ILE A 89 8.209 5.692 6.223 1.00 0.31 C ATOM 1283 C ILE A 89 8.764 4.320 5.875 1.00 0.26 C ATOM 1284 O ILE A 89 8.076 3.474 5.306 1.00 0.28 O ATOM 1285 CB ILE A 89 8.725 6.729 5.193 1.00 0.37 C ATOM 1286 CG1 ILE A 89 8.006 8.067 5.364 1.00 0.71 C ATOM 1287 CG2 ILE A 89 8.563 6.220 3.765 1.00 0.56 C ATOM 1288 CD1 ILE A 89 8.323 9.069 4.274 1.00 1.15 C ATOM 0 H ILE A 89 9.237 6.808 7.679 1.00 0.30 H new ATOM 0 HA ILE A 89 7.120 5.705 6.174 1.00 0.31 H new ATOM 0 HB ILE A 89 9.788 6.878 5.380 1.00 0.37 H new ATOM 0 HG12 ILE A 89 6.930 7.892 5.383 1.00 0.71 H new ATOM 0 HG13 ILE A 89 8.277 8.495 6.329 1.00 0.71 H new ATOM 0 HG21 ILE A 89 8.934 6.970 3.067 1.00 0.56 H new ATOM 0 HG22 ILE A 89 9.130 5.297 3.641 1.00 0.56 H new ATOM 0 HG23 ILE A 89 7.509 6.028 3.565 1.00 0.56 H new ATOM 0 HD11 ILE A 89 7.778 9.994 4.461 1.00 1.15 H new ATOM 0 HD12 ILE A 89 9.394 9.274 4.268 1.00 1.15 H new ATOM 0 HD13 ILE A 89 8.026 8.661 3.308 1.00 1.15 H new ATOM 1300 N TRP A 90 10.011 4.106 6.267 1.00 0.24 N ATOM 1301 CA TRP A 90 10.681 2.839 6.050 1.00 0.22 C ATOM 1302 C TRP A 90 9.951 1.700 6.750 1.00 0.23 C ATOM 1303 O TRP A 90 9.600 0.704 6.128 1.00 0.25 O ATOM 1304 CB TRP A 90 12.120 2.920 6.558 1.00 0.22 C ATOM 1305 CG TRP A 90 12.878 1.652 6.362 1.00 0.23 C ATOM 1306 CD1 TRP A 90 13.133 0.696 7.300 1.00 0.30 C ATOM 1307 CD2 TRP A 90 13.457 1.196 5.144 1.00 0.21 C ATOM 1308 NE1 TRP A 90 13.854 -0.328 6.738 1.00 0.30 N ATOM 1309 CE2 TRP A 90 14.061 -0.044 5.414 1.00 0.25 C ATOM 1310 CE3 TRP A 90 13.527 1.717 3.853 1.00 0.22 C ATOM 1311 CZ2 TRP A 90 14.726 -0.773 4.436 1.00 0.28 C ATOM 1312 CZ3 TRP A 90 14.188 0.991 2.885 1.00 0.28 C ATOM 1313 CH2 TRP A 90 14.778 -0.241 3.181 1.00 0.30 C ATOM 0 H TRP A 90 10.582 4.805 6.742 1.00 0.24 H new ATOM 0 HA TRP A 90 10.681 2.635 4.979 1.00 0.22 H new ATOM 0 HB2 TRP A 90 12.637 3.729 6.042 1.00 0.22 H new ATOM 0 HB3 TRP A 90 12.112 3.172 7.618 1.00 0.22 H new ATOM 0 HD1 TRP A 90 12.815 0.738 8.331 1.00 0.30 H new ATOM 0 HE1 TRP A 90 14.181 -1.162 7.225 1.00 0.30 H new ATOM 0 HE3 TRP A 90 13.074 2.668 3.616 1.00 0.22 H new ATOM 0 HZ2 TRP A 90 15.184 -1.725 4.661 1.00 0.28 H new ATOM 0 HZ3 TRP A 90 14.251 1.381 1.880 1.00 0.28 H new ATOM 0 HH2 TRP A 90 15.287 -0.784 2.398 1.00 0.30 H new ATOM 1324 N LYS A 91 9.707 1.858 8.042 1.00 0.26 N ATOM 1325 CA LYS A 91 9.125 0.784 8.834 1.00 0.30 C ATOM 1326 C LYS A 91 7.646 0.583 8.509 1.00 0.31 C ATOM 1327 O LYS A 91 7.050 -0.408 8.922 1.00 0.42 O ATOM 1328 CB LYS A 91 9.312 1.061 10.329 1.00 0.40 C ATOM 1329 CG LYS A 91 8.435 2.180 10.871 1.00 1.08 C ATOM 1330 CD LYS A 91 8.634 2.388 12.373 1.00 1.26 C ATOM 1331 CE LYS A 91 9.774 3.354 12.683 1.00 2.03 C ATOM 1332 NZ LYS A 91 11.083 2.851 12.194 1.00 2.54 N ATOM 0 H LYS A 91 9.901 2.714 8.562 1.00 0.26 H new ATOM 0 HA LYS A 91 9.648 -0.137 8.577 1.00 0.30 H new ATOM 0 HB2 LYS A 91 9.101 0.148 10.885 1.00 0.40 H new ATOM 0 HB3 LYS A 91 10.357 1.312 10.513 1.00 0.40 H new ATOM 0 HG2 LYS A 91 8.662 3.106 10.344 1.00 1.08 H new ATOM 0 HG3 LYS A 91 7.388 1.949 10.673 1.00 1.08 H new ATOM 0 HD2 LYS A 91 7.711 2.769 12.809 1.00 1.26 H new ATOM 0 HD3 LYS A 91 8.837 1.427 12.846 1.00 1.26 H new ATOM 0 HE2 LYS A 91 9.564 4.321 12.225 1.00 2.03 H new ATOM 0 HE3 LYS A 91 9.828 3.516 13.759 1.00 2.03 H new ATOM 0 HZ1 LYS A 91 11.851 3.311 12.723 1.00 2.54 H new ATOM 0 HZ2 LYS A 91 11.134 1.822 12.335 1.00 2.54 H new ATOM 0 HZ3 LYS A 91 11.182 3.067 11.181 1.00 2.54 H new ATOM 1346 N LEU A 92 7.056 1.528 7.787 1.00 0.27 N ATOM 1347 CA LEU A 92 5.670 1.402 7.363 1.00 0.33 C ATOM 1348 C LEU A 92 5.610 0.729 5.988 1.00 0.34 C ATOM 1349 O LEU A 92 4.607 0.114 5.632 1.00 0.47 O ATOM 1350 CB LEU A 92 5.007 2.784 7.321 1.00 0.37 C ATOM 1351 CG LEU A 92 3.473 2.795 7.327 1.00 0.49 C ATOM 1352 CD1 LEU A 92 2.937 2.348 8.677 1.00 0.86 C ATOM 1353 CD2 LEU A 92 2.948 4.185 6.993 1.00 0.61 C ATOM 0 H LEU A 92 7.515 2.387 7.484 1.00 0.27 H new ATOM 0 HA LEU A 92 5.127 0.783 8.078 1.00 0.33 H new ATOM 0 HB2 LEU A 92 5.358 3.359 8.178 1.00 0.37 H new ATOM 0 HB3 LEU A 92 5.351 3.303 6.426 1.00 0.37 H new ATOM 0 HG LEU A 92 3.127 2.095 6.566 1.00 0.49 H new ATOM 0 HD11 LEU A 92 1.847 2.363 8.659 1.00 0.86 H new ATOM 0 HD12 LEU A 92 3.282 1.336 8.889 1.00 0.86 H new ATOM 0 HD13 LEU A 92 3.297 3.024 9.453 1.00 0.86 H new ATOM 0 HD21 LEU A 92 1.858 4.174 7.002 1.00 0.61 H new ATOM 0 HD22 LEU A 92 3.310 4.898 7.734 1.00 0.61 H new ATOM 0 HD23 LEU A 92 3.300 4.479 6.004 1.00 0.61 H new ATOM 1365 N ALA A 93 6.695 0.851 5.215 1.00 0.30 N ATOM 1366 CA ALA A 93 6.766 0.224 3.901 1.00 0.37 C ATOM 1367 C ALA A 93 7.413 -1.160 3.961 1.00 0.37 C ATOM 1368 O ALA A 93 6.942 -2.111 3.329 1.00 0.45 O ATOM 1369 CB ALA A 93 7.530 1.118 2.937 1.00 0.43 C ATOM 0 H ALA A 93 7.529 1.376 5.479 1.00 0.30 H new ATOM 0 HA ALA A 93 5.745 0.093 3.544 1.00 0.37 H new ATOM 0 HB1 ALA A 93 7.578 0.641 1.958 1.00 0.43 H new ATOM 0 HB2 ALA A 93 7.020 2.077 2.849 1.00 0.43 H new ATOM 0 HB3 ALA A 93 8.541 1.278 3.312 1.00 0.43 H new ATOM 1375 N ASP A 94 8.494 -1.279 4.719 1.00 0.32 N ATOM 1376 CA ASP A 94 9.200 -2.546 4.839 1.00 0.38 C ATOM 1377 C ASP A 94 8.608 -3.372 5.975 1.00 0.45 C ATOM 1378 O ASP A 94 8.978 -3.213 7.140 1.00 0.49 O ATOM 1379 CB ASP A 94 10.698 -2.306 5.058 1.00 0.35 C ATOM 1380 CG ASP A 94 11.517 -3.584 5.129 1.00 0.47 C ATOM 1381 OD1 ASP A 94 11.046 -4.649 4.668 1.00 0.61 O ATOM 1382 OD2 ASP A 94 12.656 -3.531 5.624 1.00 0.62 O ATOM 0 H ASP A 94 8.900 -0.515 5.259 1.00 0.32 H new ATOM 0 HA ASP A 94 9.080 -3.105 3.911 1.00 0.38 H new ATOM 0 HB2 ASP A 94 11.080 -1.685 4.248 1.00 0.35 H new ATOM 0 HB3 ASP A 94 10.836 -1.745 5.982 1.00 0.35 H new ATOM 1387 N VAL A 95 7.675 -4.248 5.614 1.00 0.64 N ATOM 1388 CA VAL A 95 6.936 -5.069 6.574 1.00 0.79 C ATOM 1389 C VAL A 95 7.864 -6.032 7.304 1.00 0.74 C ATOM 1390 O VAL A 95 7.580 -6.473 8.419 1.00 0.88 O ATOM 1391 CB VAL A 95 5.812 -5.859 5.866 1.00 1.07 C ATOM 1392 CG1 VAL A 95 5.000 -6.684 6.855 1.00 1.76 C ATOM 1393 CG2 VAL A 95 4.901 -4.908 5.102 1.00 1.57 C ATOM 0 H VAL A 95 7.407 -4.411 4.643 1.00 0.64 H new ATOM 0 HA VAL A 95 6.490 -4.397 7.307 1.00 0.79 H new ATOM 0 HB VAL A 95 6.281 -6.548 5.163 1.00 1.07 H new ATOM 0 HG11 VAL A 95 4.219 -7.226 6.322 1.00 1.76 H new ATOM 0 HG12 VAL A 95 5.655 -7.394 7.360 1.00 1.76 H new ATOM 0 HG13 VAL A 95 4.544 -6.023 7.592 1.00 1.76 H new ATOM 0 HG21 VAL A 95 4.113 -5.477 4.608 1.00 1.57 H new ATOM 0 HG22 VAL A 95 4.454 -4.196 5.796 1.00 1.57 H new ATOM 0 HG23 VAL A 95 5.483 -4.369 4.354 1.00 1.57 H new ATOM 1403 N ASP A 96 8.990 -6.326 6.676 1.00 0.68 N ATOM 1404 CA ASP A 96 9.909 -7.319 7.193 1.00 0.73 C ATOM 1405 C ASP A 96 10.994 -6.665 8.021 1.00 0.60 C ATOM 1406 O ASP A 96 11.558 -7.291 8.921 1.00 0.68 O ATOM 1407 CB ASP A 96 10.597 -8.027 6.046 1.00 0.94 C ATOM 1408 CG ASP A 96 9.740 -8.114 4.805 1.00 1.04 C ATOM 1409 OD1 ASP A 96 8.898 -9.032 4.714 1.00 1.70 O ATOM 1410 OD2 ASP A 96 9.897 -7.239 3.918 1.00 1.40 O ATOM 0 H ASP A 96 9.288 -5.888 5.804 1.00 0.68 H new ATOM 0 HA ASP A 96 9.333 -8.016 7.802 1.00 0.73 H new ATOM 0 HB2 ASP A 96 11.522 -7.503 5.806 1.00 0.94 H new ATOM 0 HB3 ASP A 96 10.873 -9.033 6.361 1.00 0.94 H new ATOM 1415 N LYS A 97 11.278 -5.403 7.708 1.00 0.48 N ATOM 1416 CA LYS A 97 12.331 -4.658 8.384 1.00 0.46 C ATOM 1417 C LYS A 97 13.658 -5.369 8.172 1.00 0.46 C ATOM 1418 O LYS A 97 14.352 -5.764 9.111 1.00 0.70 O ATOM 1419 CB LYS A 97 11.968 -4.506 9.852 1.00 0.59 C ATOM 1420 CG LYS A 97 10.581 -3.904 10.008 1.00 0.67 C ATOM 1421 CD LYS A 97 10.055 -4.020 11.428 1.00 0.82 C ATOM 1422 CE LYS A 97 10.939 -3.294 12.425 1.00 1.34 C ATOM 1423 NZ LYS A 97 10.452 -3.478 13.815 1.00 1.74 N ATOM 0 H LYS A 97 10.789 -4.874 6.986 1.00 0.48 H new ATOM 0 HA LYS A 97 12.433 -3.655 7.971 1.00 0.46 H new ATOM 0 HB2 LYS A 97 12.004 -5.479 10.342 1.00 0.59 H new ATOM 0 HB3 LYS A 97 12.702 -3.872 10.349 1.00 0.59 H new ATOM 0 HG2 LYS A 97 10.609 -2.853 9.719 1.00 0.67 H new ATOM 0 HG3 LYS A 97 9.892 -4.404 9.327 1.00 0.67 H new ATOM 0 HD2 LYS A 97 9.045 -3.612 11.475 1.00 0.82 H new ATOM 0 HD3 LYS A 97 9.986 -5.072 11.704 1.00 0.82 H new ATOM 0 HE2 LYS A 97 11.961 -3.664 12.344 1.00 1.34 H new ATOM 0 HE3 LYS A 97 10.965 -2.231 12.184 1.00 1.34 H new ATOM 0 HZ1 LYS A 97 11.078 -2.970 14.472 1.00 1.74 H new ATOM 0 HZ2 LYS A 97 9.486 -3.103 13.897 1.00 1.74 H new ATOM 0 HZ3 LYS A 97 10.451 -4.491 14.051 1.00 1.74 H new ATOM 1437 N ASP A 98 13.985 -5.503 6.900 1.00 0.35 N ATOM 1438 CA ASP A 98 15.093 -6.324 6.445 1.00 0.43 C ATOM 1439 C ASP A 98 16.271 -5.466 6.001 1.00 0.39 C ATOM 1440 O ASP A 98 17.403 -5.946 5.919 1.00 0.63 O ATOM 1441 CB ASP A 98 14.624 -7.217 5.284 1.00 0.69 C ATOM 1442 CG ASP A 98 13.755 -6.469 4.283 1.00 0.72 C ATOM 1443 OD1 ASP A 98 14.122 -5.361 3.846 1.00 1.35 O ATOM 1444 OD2 ASP A 98 12.717 -6.986 3.876 1.00 1.51 O ATOM 0 H ASP A 98 13.482 -5.039 6.144 1.00 0.35 H new ATOM 0 HA ASP A 98 15.427 -6.945 7.276 1.00 0.43 H new ATOM 0 HB2 ASP A 98 15.494 -7.625 4.770 1.00 0.69 H new ATOM 0 HB3 ASP A 98 14.065 -8.063 5.684 1.00 0.69 H new ATOM 1449 N GLY A 99 16.009 -4.195 5.722 1.00 0.29 N ATOM 1450 CA GLY A 99 17.065 -3.307 5.278 1.00 0.29 C ATOM 1451 C GLY A 99 17.132 -3.193 3.770 1.00 0.24 C ATOM 1452 O GLY A 99 18.118 -2.697 3.222 1.00 0.27 O ATOM 0 H GLY A 99 15.087 -3.765 5.795 1.00 0.29 H new ATOM 0 HA2 GLY A 99 16.907 -2.317 5.707 1.00 0.29 H new ATOM 0 HA3 GLY A 99 18.022 -3.669 5.654 1.00 0.29 H new ATOM 1456 N LEU A 100 16.086 -3.659 3.101 1.00 0.23 N ATOM 1457 CA LEU A 100 15.970 -3.544 1.652 1.00 0.21 C ATOM 1458 C LEU A 100 14.500 -3.402 1.261 1.00 0.24 C ATOM 1459 O LEU A 100 13.623 -3.430 2.122 1.00 0.38 O ATOM 1460 CB LEU A 100 16.628 -4.750 0.960 1.00 0.27 C ATOM 1461 CG LEU A 100 16.204 -6.137 1.462 1.00 0.39 C ATOM 1462 CD1 LEU A 100 14.838 -6.534 0.914 1.00 0.41 C ATOM 1463 CD2 LEU A 100 17.256 -7.167 1.088 1.00 0.54 C ATOM 0 H LEU A 100 15.296 -4.126 3.545 1.00 0.23 H new ATOM 0 HA LEU A 100 16.498 -2.651 1.318 1.00 0.21 H new ATOM 0 HB2 LEU A 100 16.412 -4.692 -0.107 1.00 0.27 H new ATOM 0 HB3 LEU A 100 17.709 -4.661 1.072 1.00 0.27 H new ATOM 0 HG LEU A 100 16.119 -6.097 2.548 1.00 0.39 H new ATOM 0 HD11 LEU A 100 14.568 -7.521 1.289 1.00 0.41 H new ATOM 0 HD12 LEU A 100 14.092 -5.807 1.235 1.00 0.41 H new ATOM 0 HD13 LEU A 100 14.876 -6.558 -0.175 1.00 0.41 H new ATOM 0 HD21 LEU A 100 16.948 -8.149 1.448 1.00 0.54 H new ATOM 0 HD22 LEU A 100 17.367 -7.196 0.004 1.00 0.54 H new ATOM 0 HD23 LEU A 100 18.208 -6.896 1.544 1.00 0.54 H new ATOM 1475 N LEU A 101 14.230 -3.266 -0.029 1.00 0.20 N ATOM 1476 CA LEU A 101 12.884 -3.037 -0.513 1.00 0.20 C ATOM 1477 C LEU A 101 12.787 -3.621 -1.910 1.00 0.17 C ATOM 1478 O LEU A 101 13.479 -3.169 -2.820 1.00 0.18 O ATOM 1479 CB LEU A 101 12.536 -1.541 -0.569 1.00 0.24 C ATOM 1480 CG LEU A 101 12.281 -0.842 0.774 1.00 0.26 C ATOM 1481 CD1 LEU A 101 11.796 0.573 0.546 1.00 0.68 C ATOM 1482 CD2 LEU A 101 11.265 -1.588 1.615 1.00 0.58 C ATOM 0 H LEU A 101 14.936 -3.312 -0.763 1.00 0.20 H new ATOM 0 HA LEU A 101 12.181 -3.510 0.172 1.00 0.20 H new ATOM 0 HB2 LEU A 101 13.350 -1.021 -1.074 1.00 0.24 H new ATOM 0 HB3 LEU A 101 11.648 -1.421 -1.189 1.00 0.24 H new ATOM 0 HG LEU A 101 13.228 -0.828 1.314 1.00 0.26 H new ATOM 0 HD11 LEU A 101 11.619 1.056 1.507 1.00 0.68 H new ATOM 0 HD12 LEU A 101 12.551 1.131 -0.008 1.00 0.68 H new ATOM 0 HD13 LEU A 101 10.868 0.552 -0.026 1.00 0.68 H new ATOM 0 HD21 LEU A 101 11.114 -1.060 2.556 1.00 0.58 H new ATOM 0 HD22 LEU A 101 10.319 -1.647 1.076 1.00 0.58 H new ATOM 0 HD23 LEU A 101 11.630 -2.595 1.818 1.00 0.58 H new ATOM 1494 N ASP A 102 11.979 -4.641 -2.084 1.00 0.16 N ATOM 1495 CA ASP A 102 11.806 -5.227 -3.400 1.00 0.17 C ATOM 1496 C ASP A 102 10.857 -4.370 -4.232 1.00 0.16 C ATOM 1497 O ASP A 102 10.483 -3.294 -3.799 1.00 0.16 O ATOM 1498 CB ASP A 102 11.318 -6.658 -3.285 1.00 0.25 C ATOM 1499 CG ASP A 102 9.833 -6.761 -2.980 1.00 0.77 C ATOM 1500 OD1 ASP A 102 9.033 -6.763 -3.928 1.00 1.40 O ATOM 1501 OD2 ASP A 102 9.473 -6.842 -1.789 1.00 1.50 O ATOM 0 H ASP A 102 11.435 -5.081 -1.342 1.00 0.16 H new ATOM 0 HA ASP A 102 12.769 -5.253 -3.911 1.00 0.17 H new ATOM 0 HB2 ASP A 102 11.528 -7.183 -4.217 1.00 0.25 H new ATOM 0 HB3 ASP A 102 11.880 -7.165 -2.500 1.00 0.25 H new ATOM 1506 N ASP A 103 10.495 -4.821 -5.429 1.00 0.18 N ATOM 1507 CA ASP A 103 9.678 -4.014 -6.343 1.00 0.19 C ATOM 1508 C ASP A 103 8.345 -3.608 -5.718 1.00 0.16 C ATOM 1509 O ASP A 103 7.842 -2.509 -5.958 1.00 0.17 O ATOM 1510 CB ASP A 103 9.446 -4.768 -7.653 1.00 0.28 C ATOM 1511 CG ASP A 103 8.637 -6.044 -7.492 1.00 0.97 C ATOM 1512 OD1 ASP A 103 7.388 -5.973 -7.497 1.00 1.65 O ATOM 1513 OD2 ASP A 103 9.251 -7.130 -7.377 1.00 1.73 O ATOM 0 H ASP A 103 10.752 -5.739 -5.793 1.00 0.18 H new ATOM 0 HA ASP A 103 10.230 -3.097 -6.550 1.00 0.19 H new ATOM 0 HB2 ASP A 103 8.933 -4.110 -8.354 1.00 0.28 H new ATOM 0 HB3 ASP A 103 10.411 -5.014 -8.095 1.00 0.28 H new ATOM 1518 N GLU A 104 7.800 -4.474 -4.891 1.00 0.18 N ATOM 1519 CA GLU A 104 6.533 -4.208 -4.242 1.00 0.23 C ATOM 1520 C GLU A 104 6.749 -3.408 -2.964 1.00 0.19 C ATOM 1521 O GLU A 104 5.881 -2.649 -2.523 1.00 0.22 O ATOM 1522 CB GLU A 104 5.825 -5.522 -3.951 1.00 0.33 C ATOM 1523 CG GLU A 104 4.367 -5.347 -3.596 1.00 0.65 C ATOM 1524 CD GLU A 104 3.570 -6.589 -3.888 1.00 1.28 C ATOM 1525 OE1 GLU A 104 3.570 -7.512 -3.047 1.00 1.68 O ATOM 1526 OE2 GLU A 104 2.956 -6.648 -4.975 1.00 2.14 O ATOM 0 H GLU A 104 8.217 -5.373 -4.651 1.00 0.18 H new ATOM 0 HA GLU A 104 5.905 -3.613 -4.905 1.00 0.23 H new ATOM 0 HB2 GLU A 104 5.904 -6.171 -4.823 1.00 0.33 H new ATOM 0 HB3 GLU A 104 6.334 -6.027 -3.130 1.00 0.33 H new ATOM 0 HG2 GLU A 104 4.277 -5.097 -2.539 1.00 0.65 H new ATOM 0 HG3 GLU A 104 3.954 -4.509 -4.158 1.00 0.65 H new ATOM 1533 N GLU A 105 7.922 -3.569 -2.382 1.00 0.18 N ATOM 1534 CA GLU A 105 8.302 -2.809 -1.205 1.00 0.17 C ATOM 1535 C GLU A 105 8.657 -1.373 -1.587 1.00 0.17 C ATOM 1536 O GLU A 105 8.399 -0.437 -0.830 1.00 0.22 O ATOM 1537 CB GLU A 105 9.466 -3.504 -0.515 1.00 0.19 C ATOM 1538 CG GLU A 105 9.065 -4.221 0.762 1.00 0.26 C ATOM 1539 CD GLU A 105 10.163 -5.136 1.286 1.00 0.40 C ATOM 1540 OE1 GLU A 105 10.207 -6.323 0.911 1.00 1.11 O ATOM 1541 OE2 GLU A 105 11.003 -4.678 2.068 1.00 0.81 O ATOM 0 H GLU A 105 8.633 -4.224 -2.707 1.00 0.18 H new ATOM 0 HA GLU A 105 7.462 -2.763 -0.512 1.00 0.17 H new ATOM 0 HB2 GLU A 105 9.910 -4.223 -1.203 1.00 0.19 H new ATOM 0 HB3 GLU A 105 10.235 -2.767 -0.284 1.00 0.19 H new ATOM 0 HG2 GLU A 105 8.815 -3.484 1.525 1.00 0.26 H new ATOM 0 HG3 GLU A 105 8.165 -4.807 0.578 1.00 0.26 H new ATOM 1548 N PHE A 106 9.232 -1.209 -2.772 1.00 0.16 N ATOM 1549 CA PHE A 106 9.468 0.108 -3.333 1.00 0.16 C ATOM 1550 C PHE A 106 8.117 0.731 -3.636 1.00 0.16 C ATOM 1551 O PHE A 106 7.888 1.908 -3.373 1.00 0.18 O ATOM 1552 CB PHE A 106 10.339 0.015 -4.604 1.00 0.19 C ATOM 1553 CG PHE A 106 10.819 1.346 -5.152 1.00 0.21 C ATOM 1554 CD1 PHE A 106 9.998 2.467 -5.186 1.00 1.04 C ATOM 1555 CD2 PHE A 106 12.107 1.469 -5.626 1.00 1.04 C ATOM 1556 CE1 PHE A 106 10.462 3.671 -5.680 1.00 1.04 C ATOM 1557 CE2 PHE A 106 12.577 2.669 -6.118 1.00 1.07 C ATOM 1558 CZ PHE A 106 11.754 3.772 -6.146 1.00 0.28 C ATOM 0 H PHE A 106 9.544 -1.979 -3.363 1.00 0.16 H new ATOM 0 HA PHE A 106 10.013 0.730 -2.623 1.00 0.16 H new ATOM 0 HB2 PHE A 106 11.208 -0.606 -4.386 1.00 0.19 H new ATOM 0 HB3 PHE A 106 9.769 -0.496 -5.380 1.00 0.19 H new ATOM 0 HD1 PHE A 106 8.984 2.396 -4.821 1.00 1.04 H new ATOM 0 HD2 PHE A 106 12.761 0.610 -5.612 1.00 1.04 H new ATOM 0 HE1 PHE A 106 9.812 4.533 -5.701 1.00 1.04 H new ATOM 0 HE2 PHE A 106 13.591 2.743 -6.481 1.00 1.07 H new ATOM 0 HZ PHE A 106 12.120 4.712 -6.532 1.00 0.28 H new ATOM 1568 N ALA A 107 7.217 -0.093 -4.160 1.00 0.16 N ATOM 1569 CA ALA A 107 5.859 0.336 -4.443 1.00 0.16 C ATOM 1570 C ALA A 107 5.223 0.972 -3.209 1.00 0.16 C ATOM 1571 O ALA A 107 4.663 2.069 -3.285 1.00 0.18 O ATOM 1572 CB ALA A 107 5.031 -0.840 -4.935 1.00 0.19 C ATOM 0 H ALA A 107 7.408 -1.066 -4.397 1.00 0.16 H new ATOM 0 HA ALA A 107 5.889 1.091 -5.229 1.00 0.16 H new ATOM 0 HB1 ALA A 107 4.014 -0.507 -5.144 1.00 0.19 H new ATOM 0 HB2 ALA A 107 5.476 -1.242 -5.845 1.00 0.19 H new ATOM 0 HB3 ALA A 107 5.008 -1.615 -4.169 1.00 0.19 H new ATOM 1578 N LEU A 108 5.329 0.289 -2.071 1.00 0.18 N ATOM 1579 CA LEU A 108 4.792 0.814 -0.820 1.00 0.22 C ATOM 1580 C LEU A 108 5.553 2.075 -0.409 1.00 0.19 C ATOM 1581 O LEU A 108 4.945 3.121 -0.172 1.00 0.20 O ATOM 1582 CB LEU A 108 4.875 -0.239 0.296 1.00 0.34 C ATOM 1583 CG LEU A 108 3.745 -0.182 1.336 1.00 0.52 C ATOM 1584 CD1 LEU A 108 3.903 -1.291 2.351 1.00 1.22 C ATOM 1585 CD2 LEU A 108 3.714 1.151 2.050 1.00 1.23 C ATOM 0 H LEU A 108 5.779 -0.623 -1.990 1.00 0.18 H new ATOM 0 HA LEU A 108 3.743 1.065 -0.977 1.00 0.22 H new ATOM 0 HB2 LEU A 108 4.877 -1.229 -0.160 1.00 0.34 H new ATOM 0 HB3 LEU A 108 5.828 -0.124 0.812 1.00 0.34 H new ATOM 0 HG LEU A 108 2.804 -0.309 0.800 1.00 0.52 H new ATOM 0 HD11 LEU A 108 3.094 -1.235 3.080 1.00 1.22 H new ATOM 0 HD12 LEU A 108 3.869 -2.255 1.844 1.00 1.22 H new ATOM 0 HD13 LEU A 108 4.860 -1.183 2.862 1.00 1.22 H new ATOM 0 HD21 LEU A 108 2.903 1.155 2.778 1.00 1.23 H new ATOM 0 HD22 LEU A 108 4.662 1.311 2.563 1.00 1.23 H new ATOM 0 HD23 LEU A 108 3.555 1.949 1.325 1.00 1.23 H new ATOM 1597 N ALA A 109 6.883 1.968 -0.340 1.00 0.19 N ATOM 1598 CA ALA A 109 7.747 3.088 0.065 1.00 0.19 C ATOM 1599 C ALA A 109 7.433 4.378 -0.695 1.00 0.19 C ATOM 1600 O ALA A 109 7.192 5.428 -0.089 1.00 0.20 O ATOM 1601 CB ALA A 109 9.206 2.723 -0.135 1.00 0.22 C ATOM 0 H ALA A 109 7.391 1.111 -0.561 1.00 0.19 H new ATOM 0 HA ALA A 109 7.549 3.273 1.121 1.00 0.19 H new ATOM 0 HB1 ALA A 109 9.835 3.560 0.168 1.00 0.22 H new ATOM 0 HB2 ALA A 109 9.449 1.849 0.469 1.00 0.22 H new ATOM 0 HB3 ALA A 109 9.384 2.498 -1.187 1.00 0.22 H new ATOM 1607 N ASN A 110 7.431 4.295 -2.018 1.00 0.19 N ATOM 1608 CA ASN A 110 7.247 5.469 -2.859 1.00 0.19 C ATOM 1609 C ASN A 110 5.814 5.965 -2.760 1.00 0.20 C ATOM 1610 O ASN A 110 5.549 7.163 -2.833 1.00 0.23 O ATOM 1611 CB ASN A 110 7.594 5.148 -4.314 1.00 0.21 C ATOM 1612 CG ASN A 110 7.823 6.402 -5.140 1.00 0.29 C ATOM 1613 OD1 ASN A 110 6.891 6.969 -5.703 1.00 1.18 O ATOM 1614 ND2 ASN A 110 9.074 6.839 -5.220 1.00 1.11 N ATOM 0 H ASN A 110 7.555 3.424 -2.533 1.00 0.19 H new ATOM 0 HA ASN A 110 7.918 6.253 -2.508 1.00 0.19 H new ATOM 0 HB2 ASN A 110 8.489 4.527 -4.344 1.00 0.21 H new ATOM 0 HB3 ASN A 110 6.787 4.565 -4.758 1.00 0.21 H new ATOM 0 HD21 ASN A 110 9.289 7.675 -5.764 1.00 1.11 H new ATOM 0 HD22 ASN A 110 9.821 6.339 -4.737 1.00 1.11 H new ATOM 1621 N HIS A 111 4.886 5.031 -2.561 1.00 0.23 N ATOM 1622 CA HIS A 111 3.487 5.380 -2.396 1.00 0.25 C ATOM 1623 C HIS A 111 3.302 6.156 -1.105 1.00 0.24 C ATOM 1624 O HIS A 111 2.474 7.056 -1.022 1.00 0.26 O ATOM 1625 CB HIS A 111 2.612 4.131 -2.376 1.00 0.30 C ATOM 1626 CG HIS A 111 1.151 4.431 -2.393 1.00 0.32 C ATOM 1627 ND1 HIS A 111 0.497 4.885 -3.511 1.00 0.41 N ATOM 1628 CD2 HIS A 111 0.216 4.343 -1.421 1.00 0.39 C ATOM 1629 CE1 HIS A 111 -0.774 5.070 -3.235 1.00 0.49 C ATOM 1630 NE2 HIS A 111 -0.978 4.751 -1.966 1.00 0.47 N ATOM 0 H HIS A 111 5.082 4.031 -2.511 1.00 0.23 H new ATOM 0 HA HIS A 111 3.185 5.998 -3.242 1.00 0.25 H new ATOM 0 HB2 HIS A 111 2.858 3.510 -3.238 1.00 0.30 H new ATOM 0 HB3 HIS A 111 2.845 3.547 -1.486 1.00 0.30 H new ATOM 0 HD1 HIS A 111 0.932 5.053 -4.418 1.00 0.41 H new ATOM 0 HD2 HIS A 111 0.377 4.013 -0.405 1.00 0.39 H new ATOM 0 HE1 HIS A 111 -1.525 5.423 -3.926 1.00 0.49 H new ATOM 1639 N LEU A 112 4.078 5.792 -0.097 1.00 0.25 N ATOM 1640 CA LEU A 112 4.049 6.490 1.173 1.00 0.28 C ATOM 1641 C LEU A 112 4.634 7.891 1.025 1.00 0.25 C ATOM 1642 O LEU A 112 4.151 8.830 1.651 1.00 0.27 O ATOM 1643 CB LEU A 112 4.797 5.695 2.247 1.00 0.35 C ATOM 1644 CG LEU A 112 4.030 4.502 2.834 1.00 0.44 C ATOM 1645 CD1 LEU A 112 4.861 3.827 3.910 1.00 0.55 C ATOM 1646 CD2 LEU A 112 2.688 4.953 3.396 1.00 0.54 C ATOM 0 H LEU A 112 4.737 5.014 -0.136 1.00 0.25 H new ATOM 0 HA LEU A 112 3.010 6.586 1.490 1.00 0.28 H new ATOM 0 HB2 LEU A 112 5.732 5.331 1.821 1.00 0.35 H new ATOM 0 HB3 LEU A 112 5.060 6.372 3.060 1.00 0.35 H new ATOM 0 HG LEU A 112 3.840 3.782 2.038 1.00 0.44 H new ATOM 0 HD11 LEU A 112 4.308 2.982 4.320 1.00 0.55 H new ATOM 0 HD12 LEU A 112 5.797 3.473 3.478 1.00 0.55 H new ATOM 0 HD13 LEU A 112 5.075 4.541 4.705 1.00 0.55 H new ATOM 0 HD21 LEU A 112 2.159 4.094 3.808 1.00 0.54 H new ATOM 0 HD22 LEU A 112 2.852 5.689 4.183 1.00 0.54 H new ATOM 0 HD23 LEU A 112 2.092 5.399 2.600 1.00 0.54 H new ATOM 1658 N ILE A 113 5.669 8.030 0.191 1.00 0.26 N ATOM 1659 CA ILE A 113 6.197 9.352 -0.147 1.00 0.26 C ATOM 1660 C ILE A 113 5.109 10.204 -0.795 1.00 0.26 C ATOM 1661 O ILE A 113 4.985 11.397 -0.509 1.00 0.32 O ATOM 1662 CB ILE A 113 7.405 9.274 -1.103 1.00 0.27 C ATOM 1663 CG1 ILE A 113 8.536 8.468 -0.473 1.00 0.28 C ATOM 1664 CG2 ILE A 113 7.902 10.668 -1.477 1.00 0.33 C ATOM 1665 CD1 ILE A 113 9.110 9.068 0.791 1.00 0.81 C ATOM 0 H ILE A 113 6.152 7.252 -0.257 1.00 0.26 H new ATOM 0 HA ILE A 113 6.530 9.806 0.786 1.00 0.26 H new ATOM 0 HB ILE A 113 7.077 8.771 -2.013 1.00 0.27 H new ATOM 0 HG12 ILE A 113 8.170 7.466 -0.250 1.00 0.28 H new ATOM 0 HG13 ILE A 113 9.337 8.359 -1.204 1.00 0.28 H new ATOM 0 HG21 ILE A 113 8.754 10.582 -2.152 1.00 0.33 H new ATOM 0 HG22 ILE A 113 7.102 11.219 -1.971 1.00 0.33 H new ATOM 0 HG23 ILE A 113 8.206 11.200 -0.575 1.00 0.33 H new ATOM 0 HD11 ILE A 113 9.908 8.428 1.168 1.00 0.81 H new ATOM 0 HD12 ILE A 113 9.511 10.058 0.574 1.00 0.81 H new ATOM 0 HD13 ILE A 113 8.325 9.151 1.543 1.00 0.81 H new ATOM 1677 N LYS A 114 4.333 9.577 -1.679 1.00 0.25 N ATOM 1678 CA LYS A 114 3.159 10.216 -2.270 1.00 0.31 C ATOM 1679 C LYS A 114 2.206 10.664 -1.162 1.00 0.32 C ATOM 1680 O LYS A 114 1.789 11.819 -1.118 1.00 0.41 O ATOM 1681 CB LYS A 114 2.454 9.228 -3.217 1.00 0.45 C ATOM 1682 CG LYS A 114 1.961 9.826 -4.533 1.00 0.86 C ATOM 1683 CD LYS A 114 0.633 10.569 -4.407 1.00 1.30 C ATOM 1684 CE LYS A 114 0.807 11.991 -3.896 1.00 1.59 C ATOM 1685 NZ LYS A 114 -0.492 12.708 -3.763 1.00 2.22 N ATOM 0 H LYS A 114 4.498 8.624 -2.002 1.00 0.25 H new ATOM 0 HA LYS A 114 3.468 11.091 -2.842 1.00 0.31 H new ATOM 0 HB2 LYS A 114 3.141 8.413 -3.442 1.00 0.45 H new ATOM 0 HB3 LYS A 114 1.603 8.792 -2.693 1.00 0.45 H new ATOM 0 HG2 LYS A 114 2.717 10.512 -4.916 1.00 0.86 H new ATOM 0 HG3 LYS A 114 1.853 9.028 -5.267 1.00 0.86 H new ATOM 0 HD2 LYS A 114 0.140 10.593 -5.379 1.00 1.30 H new ATOM 0 HD3 LYS A 114 -0.023 10.021 -3.731 1.00 1.30 H new ATOM 0 HE2 LYS A 114 1.307 11.968 -2.928 1.00 1.59 H new ATOM 0 HE3 LYS A 114 1.456 12.542 -4.577 1.00 1.59 H new ATOM 0 HZ1 LYS A 114 -0.341 13.612 -3.272 1.00 2.22 H new ATOM 0 HZ2 LYS A 114 -0.887 12.889 -4.708 1.00 2.22 H new ATOM 0 HZ3 LYS A 114 -1.157 12.124 -3.217 1.00 2.22 H new ATOM 1699 N VAL A 115 1.917 9.748 -0.243 1.00 0.30 N ATOM 1700 CA VAL A 115 0.971 9.994 0.845 1.00 0.35 C ATOM 1701 C VAL A 115 1.420 11.159 1.728 1.00 0.35 C ATOM 1702 O VAL A 115 0.614 12.003 2.114 1.00 0.42 O ATOM 1703 CB VAL A 115 0.780 8.717 1.699 1.00 0.41 C ATOM 1704 CG1 VAL A 115 -0.050 8.988 2.942 1.00 0.49 C ATOM 1705 CG2 VAL A 115 0.140 7.613 0.875 1.00 0.47 C ATOM 0 H VAL A 115 2.330 8.815 -0.230 1.00 0.30 H new ATOM 0 HA VAL A 115 0.016 10.264 0.395 1.00 0.35 H new ATOM 0 HB VAL A 115 1.769 8.393 2.022 1.00 0.41 H new ATOM 0 HG11 VAL A 115 -0.161 8.067 3.514 1.00 0.49 H new ATOM 0 HG12 VAL A 115 0.448 9.738 3.556 1.00 0.49 H new ATOM 0 HG13 VAL A 115 -1.034 9.354 2.650 1.00 0.49 H new ATOM 0 HG21 VAL A 115 0.014 6.724 1.493 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -0.834 7.945 0.515 1.00 0.47 H new ATOM 0 HG23 VAL A 115 0.780 7.376 0.025 1.00 0.47 H new ATOM 1715 N LYS A 116 2.707 11.217 2.034 1.00 0.35 N ATOM 1716 CA LYS A 116 3.235 12.309 2.844 1.00 0.45 C ATOM 1717 C LYS A 116 3.343 13.602 2.031 1.00 0.48 C ATOM 1718 O LYS A 116 3.381 14.697 2.593 1.00 0.63 O ATOM 1719 CB LYS A 116 4.604 11.944 3.430 1.00 0.59 C ATOM 1720 CG LYS A 116 5.575 11.409 2.405 1.00 0.77 C ATOM 1721 CD LYS A 116 6.987 11.887 2.669 1.00 0.79 C ATOM 1722 CE LYS A 116 7.061 13.405 2.670 1.00 1.68 C ATOM 1723 NZ LYS A 116 6.815 13.971 1.316 1.00 1.91 N ATOM 0 H LYS A 116 3.400 10.530 1.739 1.00 0.35 H new ATOM 0 HA LYS A 116 2.535 12.475 3.663 1.00 0.45 H new ATOM 0 HB2 LYS A 116 5.036 12.827 3.901 1.00 0.59 H new ATOM 0 HB3 LYS A 116 4.468 11.199 4.214 1.00 0.59 H new ATOM 0 HG2 LYS A 116 5.552 10.319 2.416 1.00 0.77 H new ATOM 0 HG3 LYS A 116 5.264 11.725 1.409 1.00 0.77 H new ATOM 0 HD2 LYS A 116 7.330 11.503 3.629 1.00 0.79 H new ATOM 0 HD3 LYS A 116 7.657 11.488 1.908 1.00 0.79 H new ATOM 0 HE2 LYS A 116 6.327 13.804 3.370 1.00 1.68 H new ATOM 0 HE3 LYS A 116 8.043 13.721 3.023 1.00 1.68 H new ATOM 0 HZ1 LYS A 116 6.739 15.006 1.381 1.00 1.91 H new ATOM 0 HZ2 LYS A 116 7.604 13.721 0.686 1.00 1.91 H new ATOM 0 HZ3 LYS A 116 5.930 13.582 0.933 1.00 1.91 H new ATOM 1737 N LEU A 117 3.392 13.471 0.709 1.00 0.43 N ATOM 1738 CA LEU A 117 3.502 14.628 -0.179 1.00 0.53 C ATOM 1739 C LEU A 117 2.139 15.294 -0.363 1.00 0.60 C ATOM 1740 O LEU A 117 2.055 16.460 -0.754 1.00 0.73 O ATOM 1741 CB LEU A 117 4.064 14.203 -1.541 1.00 0.54 C ATOM 1742 CG LEU A 117 4.326 15.347 -2.525 1.00 0.68 C ATOM 1743 CD1 LEU A 117 5.388 16.293 -1.983 1.00 1.28 C ATOM 1744 CD2 LEU A 117 4.734 14.799 -3.887 1.00 1.17 C ATOM 0 H LEU A 117 3.357 12.573 0.226 1.00 0.43 H new ATOM 0 HA LEU A 117 4.184 15.346 0.277 1.00 0.53 H new ATOM 0 HB2 LEU A 117 4.997 13.664 -1.379 1.00 0.54 H new ATOM 0 HB3 LEU A 117 3.367 13.502 -2.001 1.00 0.54 H new ATOM 0 HG LEU A 117 3.402 15.911 -2.647 1.00 0.68 H new ATOM 0 HD11 LEU A 117 5.558 17.098 -2.698 1.00 1.28 H new ATOM 0 HD12 LEU A 117 5.051 16.715 -1.036 1.00 1.28 H new ATOM 0 HD13 LEU A 117 6.317 15.745 -1.826 1.00 1.28 H new ATOM 0 HD21 LEU A 117 4.916 15.627 -4.573 1.00 1.17 H new ATOM 0 HD22 LEU A 117 5.643 14.207 -3.783 1.00 1.17 H new ATOM 0 HD23 LEU A 117 3.935 14.171 -4.281 1.00 1.17 H new ATOM 1756 N GLU A 118 1.075 14.549 -0.067 1.00 0.57 N ATOM 1757 CA GLU A 118 -0.286 15.073 -0.158 1.00 0.70 C ATOM 1758 C GLU A 118 -0.480 16.222 0.823 1.00 0.79 C ATOM 1759 O GLU A 118 -1.432 16.990 0.721 1.00 0.95 O ATOM 1760 CB GLU A 118 -1.309 13.971 0.133 1.00 0.75 C ATOM 1761 CG GLU A 118 -1.093 12.711 -0.684 1.00 0.78 C ATOM 1762 CD GLU A 118 -2.220 11.711 -0.546 1.00 1.27 C ATOM 1763 OE1 GLU A 118 -2.521 11.294 0.596 1.00 1.78 O ATOM 1764 OE2 GLU A 118 -2.813 11.347 -1.583 1.00 1.99 O ATOM 0 H GLU A 118 1.130 13.578 0.239 1.00 0.57 H new ATOM 0 HA GLU A 118 -0.440 15.440 -1.173 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -1.267 13.719 1.193 1.00 0.75 H new ATOM 0 HB3 GLU A 118 -2.310 14.355 -0.064 1.00 0.75 H new ATOM 0 HG2 GLU A 118 -0.982 12.981 -1.734 1.00 0.78 H new ATOM 0 HG3 GLU A 118 -0.159 12.241 -0.375 1.00 0.78 H new ATOM 1771 N GLY A 119 0.427 16.316 1.784 1.00 0.75 N ATOM 1772 CA GLY A 119 0.374 17.391 2.742 1.00 0.86 C ATOM 1773 C GLY A 119 0.040 16.891 4.116 1.00 0.87 C ATOM 1774 O GLY A 119 -0.135 17.676 5.046 1.00 1.01 O ATOM 0 H GLY A 119 1.200 15.663 1.914 1.00 0.75 H new ATOM 0 HA2 GLY A 119 1.334 17.906 2.765 1.00 0.86 H new ATOM 0 HA3 GLY A 119 -0.372 18.122 2.429 1.00 0.86 H new ATOM 1778 N HIS A 120 -0.048 15.579 4.251 1.00 0.80 N ATOM 1779 CA HIS A 120 -0.361 14.981 5.529 1.00 0.84 C ATOM 1780 C HIS A 120 0.683 13.934 5.894 1.00 0.81 C ATOM 1781 O HIS A 120 1.162 13.183 5.042 1.00 0.84 O ATOM 1782 CB HIS A 120 -1.781 14.382 5.526 1.00 0.86 C ATOM 1783 CG HIS A 120 -1.864 12.949 5.100 1.00 0.77 C ATOM 1784 ND1 HIS A 120 -1.801 11.912 6.000 1.00 0.76 N ATOM 1785 CD2 HIS A 120 -2.017 12.377 3.878 1.00 0.81 C ATOM 1786 CE1 HIS A 120 -1.906 10.770 5.363 1.00 0.83 C ATOM 1787 NE2 HIS A 120 -2.040 11.022 4.072 1.00 0.87 N ATOM 0 H HIS A 120 0.093 14.913 3.492 1.00 0.80 H new ATOM 0 HA HIS A 120 -0.338 15.761 6.290 1.00 0.84 H new ATOM 0 HB2 HIS A 120 -2.199 14.472 6.529 1.00 0.86 H new ATOM 0 HB3 HIS A 120 -2.409 14.979 4.865 1.00 0.86 H new ATOM 0 HD1 HIS A 120 -1.690 12.015 7.009 1.00 0.76 H new ATOM 0 HD2 HIS A 120 -2.104 12.893 2.933 1.00 0.81 H new ATOM 0 HE1 HIS A 120 -1.886 9.790 5.816 1.00 0.83 H new ATOM 1796 N GLU A 121 1.032 13.912 7.161 1.00 0.93 N ATOM 1797 CA GLU A 121 1.989 12.962 7.697 1.00 1.01 C ATOM 1798 C GLU A 121 1.399 11.552 7.760 1.00 0.79 C ATOM 1799 O GLU A 121 0.183 11.378 7.886 1.00 0.71 O ATOM 1800 CB GLU A 121 2.427 13.431 9.090 1.00 1.31 C ATOM 1801 CG GLU A 121 2.782 12.307 10.043 1.00 1.55 C ATOM 1802 CD GLU A 121 3.260 12.817 11.384 1.00 2.15 C ATOM 1803 OE1 GLU A 121 2.403 13.092 12.248 1.00 2.52 O ATOM 1804 OE2 GLU A 121 4.484 12.945 11.581 1.00 2.75 O ATOM 0 H GLU A 121 0.658 14.557 7.857 1.00 0.93 H new ATOM 0 HA GLU A 121 2.855 12.918 7.036 1.00 1.01 H new ATOM 0 HB2 GLU A 121 3.290 14.089 8.985 1.00 1.31 H new ATOM 0 HB3 GLU A 121 1.626 14.025 9.529 1.00 1.31 H new ATOM 0 HG2 GLU A 121 1.910 11.670 10.190 1.00 1.55 H new ATOM 0 HG3 GLU A 121 3.559 11.687 9.596 1.00 1.55 H new ATOM 1811 N LEU A 122 2.275 10.551 7.670 1.00 0.92 N ATOM 1812 CA LEU A 122 1.863 9.157 7.750 1.00 0.87 C ATOM 1813 C LEU A 122 1.348 8.834 9.150 1.00 0.82 C ATOM 1814 O LEU A 122 1.917 9.278 10.150 1.00 0.95 O ATOM 1815 CB LEU A 122 3.030 8.222 7.425 1.00 1.18 C ATOM 1816 CG LEU A 122 3.745 8.487 6.102 1.00 1.80 C ATOM 1817 CD1 LEU A 122 4.780 7.405 5.840 1.00 2.45 C ATOM 1818 CD2 LEU A 122 2.747 8.565 4.962 1.00 2.70 C ATOM 0 H LEU A 122 3.278 10.685 7.541 1.00 0.92 H new ATOM 0 HA LEU A 122 1.068 9.005 7.020 1.00 0.87 H new ATOM 0 HB2 LEU A 122 3.761 8.290 8.231 1.00 1.18 H new ATOM 0 HB3 LEU A 122 2.659 7.197 7.417 1.00 1.18 H new ATOM 0 HG LEU A 122 4.257 9.447 6.168 1.00 1.80 H new ATOM 0 HD11 LEU A 122 5.283 7.604 4.894 1.00 2.45 H new ATOM 0 HD12 LEU A 122 5.513 7.399 6.647 1.00 2.45 H new ATOM 0 HD13 LEU A 122 4.287 6.434 5.791 1.00 2.45 H new ATOM 0 HD21 LEU A 122 3.276 8.754 4.028 1.00 2.70 H new ATOM 0 HD22 LEU A 122 2.205 7.622 4.888 1.00 2.70 H new ATOM 0 HD23 LEU A 122 2.042 9.375 5.150 1.00 2.70 H new ATOM 1830 N PRO A 123 0.286 8.021 9.234 1.00 0.77 N ATOM 1831 CA PRO A 123 -0.396 7.732 10.488 1.00 0.88 C ATOM 1832 C PRO A 123 0.205 6.559 11.250 1.00 0.92 C ATOM 1833 O PRO A 123 -0.325 6.153 12.283 1.00 1.10 O ATOM 1834 CB PRO A 123 -1.810 7.404 10.022 1.00 1.00 C ATOM 1835 CG PRO A 123 -1.646 6.815 8.657 1.00 0.95 C ATOM 1836 CD PRO A 123 -0.334 7.317 8.102 1.00 0.79 C ATOM 0 HA PRO A 123 -0.328 8.562 11.191 1.00 0.88 H new ATOM 0 HB2 PRO A 123 -2.294 6.700 10.699 1.00 1.00 H new ATOM 0 HB3 PRO A 123 -2.432 8.298 9.993 1.00 1.00 H new ATOM 0 HG2 PRO A 123 -1.650 5.726 8.706 1.00 0.95 H new ATOM 0 HG3 PRO A 123 -2.473 7.108 8.011 1.00 0.95 H new ATOM 0 HD2 PRO A 123 0.291 6.496 7.752 1.00 0.79 H new ATOM 0 HD3 PRO A 123 -0.489 7.984 7.254 1.00 0.79 H new ATOM 1844 N ALA A 124 1.303 6.013 10.729 1.00 0.89 N ATOM 1845 CA ALA A 124 1.985 4.870 11.345 1.00 1.09 C ATOM 1846 C ALA A 124 1.049 3.670 11.463 1.00 1.10 C ATOM 1847 O ALA A 124 1.290 2.743 12.236 1.00 1.27 O ATOM 1848 CB ALA A 124 2.552 5.250 12.707 1.00 1.34 C ATOM 0 H ALA A 124 1.745 6.347 9.872 1.00 0.89 H new ATOM 0 HA ALA A 124 2.814 4.585 10.697 1.00 1.09 H new ATOM 0 HB1 ALA A 124 3.053 4.387 13.146 1.00 1.34 H new ATOM 0 HB2 ALA A 124 3.267 6.064 12.589 1.00 1.34 H new ATOM 0 HB3 ALA A 124 1.742 5.571 13.362 1.00 1.34 H new ATOM 1854 N ASP A 125 -0.007 3.693 10.666 1.00 1.00 N ATOM 1855 CA ASP A 125 -0.980 2.620 10.642 1.00 1.03 C ATOM 1856 C ASP A 125 -0.900 1.920 9.300 1.00 0.87 C ATOM 1857 O ASP A 125 -0.792 2.578 8.261 1.00 0.90 O ATOM 1858 CB ASP A 125 -2.390 3.172 10.861 1.00 1.22 C ATOM 1859 CG ASP A 125 -3.411 2.078 11.115 1.00 1.72 C ATOM 1860 OD1 ASP A 125 -3.231 1.294 12.067 1.00 2.36 O ATOM 1861 OD2 ASP A 125 -4.387 1.982 10.337 1.00 2.14 O ATOM 0 H ASP A 125 -0.211 4.455 10.020 1.00 1.00 H new ATOM 0 HA ASP A 125 -0.762 1.914 11.443 1.00 1.03 H new ATOM 0 HB2 ASP A 125 -2.380 3.859 11.708 1.00 1.22 H new ATOM 0 HB3 ASP A 125 -2.691 3.749 9.986 1.00 1.22 H new ATOM 1866 N LEU A 126 -0.929 0.605 9.318 1.00 0.81 N ATOM 1867 CA LEU A 126 -0.797 -0.163 8.100 1.00 0.73 C ATOM 1868 C LEU A 126 -2.086 -0.943 7.853 1.00 0.76 C ATOM 1869 O LEU A 126 -2.349 -1.956 8.499 1.00 0.86 O ATOM 1870 CB LEU A 126 0.408 -1.102 8.193 1.00 0.75 C ATOM 1871 CG LEU A 126 1.299 -1.145 6.944 1.00 0.94 C ATOM 1872 CD1 LEU A 126 2.336 -2.254 7.062 1.00 1.67 C ATOM 1873 CD2 LEU A 126 0.461 -1.328 5.687 1.00 1.83 C ATOM 0 H LEU A 126 -1.043 0.046 10.163 1.00 0.81 H new ATOM 0 HA LEU A 126 -0.629 0.510 7.259 1.00 0.73 H new ATOM 0 HB2 LEU A 126 1.018 -0.802 9.045 1.00 0.75 H new ATOM 0 HB3 LEU A 126 0.048 -2.110 8.398 1.00 0.75 H new ATOM 0 HG LEU A 126 1.822 -0.192 6.868 1.00 0.94 H new ATOM 0 HD11 LEU A 126 2.957 -2.268 6.167 1.00 1.67 H new ATOM 0 HD12 LEU A 126 2.962 -2.075 7.936 1.00 1.67 H new ATOM 0 HD13 LEU A 126 1.831 -3.214 7.168 1.00 1.67 H new ATOM 0 HD21 LEU A 126 1.114 -1.355 4.815 1.00 1.83 H new ATOM 0 HD22 LEU A 126 -0.095 -2.263 5.753 1.00 1.83 H new ATOM 0 HD23 LEU A 126 -0.237 -0.497 5.591 1.00 1.83 H new ATOM 1885 N PRO A 127 -2.919 -0.457 6.927 1.00 0.77 N ATOM 1886 CA PRO A 127 -4.220 -1.052 6.635 1.00 0.89 C ATOM 1887 C PRO A 127 -4.103 -2.278 5.731 1.00 0.85 C ATOM 1888 O PRO A 127 -3.121 -2.421 5.000 1.00 0.77 O ATOM 1889 CB PRO A 127 -4.983 0.075 5.922 1.00 1.00 C ATOM 1890 CG PRO A 127 -4.045 1.235 5.822 1.00 0.91 C ATOM 1891 CD PRO A 127 -2.664 0.707 6.080 1.00 0.78 C ATOM 0 HA PRO A 127 -4.717 -1.409 7.537 1.00 0.89 H new ATOM 0 HB2 PRO A 127 -5.309 -0.245 4.932 1.00 1.00 H new ATOM 0 HB3 PRO A 127 -5.879 0.349 6.480 1.00 1.00 H new ATOM 0 HG2 PRO A 127 -4.104 1.694 4.835 1.00 0.91 H new ATOM 0 HG3 PRO A 127 -4.305 2.005 6.548 1.00 0.91 H new ATOM 0 HD2 PRO A 127 -2.156 0.432 5.156 1.00 0.78 H new ATOM 0 HD3 PRO A 127 -2.036 1.443 6.582 1.00 0.78 H new ATOM 1899 N PRO A 128 -5.109 -3.177 5.759 1.00 0.99 N ATOM 1900 CA PRO A 128 -5.099 -4.391 4.941 1.00 1.06 C ATOM 1901 C PRO A 128 -4.910 -4.077 3.464 1.00 1.01 C ATOM 1902 O PRO A 128 -4.172 -4.762 2.756 1.00 1.15 O ATOM 1903 CB PRO A 128 -6.477 -5.017 5.158 1.00 1.27 C ATOM 1904 CG PRO A 128 -7.038 -4.375 6.379 1.00 1.34 C ATOM 1905 CD PRO A 128 -6.317 -3.072 6.594 1.00 1.15 C ATOM 0 HA PRO A 128 -4.277 -5.048 5.224 1.00 1.06 H new ATOM 0 HB2 PRO A 128 -7.122 -4.845 4.297 1.00 1.27 H new ATOM 0 HB3 PRO A 128 -6.398 -6.096 5.287 1.00 1.27 H new ATOM 0 HG2 PRO A 128 -8.108 -4.203 6.262 1.00 1.34 H new ATOM 0 HG3 PRO A 128 -6.913 -5.027 7.244 1.00 1.34 H new ATOM 0 HD2 PRO A 128 -6.933 -2.224 6.296 1.00 1.15 H new ATOM 0 HD3 PRO A 128 -6.062 -2.928 7.644 1.00 1.15 H new ATOM 1913 N HIS A 129 -5.568 -3.015 3.013 1.00 0.95 N ATOM 1914 CA HIS A 129 -5.483 -2.588 1.620 1.00 0.96 C ATOM 1915 C HIS A 129 -4.228 -1.760 1.359 1.00 0.94 C ATOM 1916 O HIS A 129 -4.249 -0.867 0.518 1.00 1.22 O ATOM 1917 CB HIS A 129 -6.737 -1.786 1.212 1.00 1.07 C ATOM 1918 CG HIS A 129 -6.969 -0.535 2.007 1.00 1.11 C ATOM 1919 ND1 HIS A 129 -7.631 -0.516 3.217 1.00 1.27 N ATOM 1920 CD2 HIS A 129 -6.623 0.747 1.754 1.00 1.27 C ATOM 1921 CE1 HIS A 129 -7.675 0.724 3.670 1.00 1.45 C ATOM 1922 NE2 HIS A 129 -7.072 1.508 2.801 1.00 1.48 N ATOM 0 H HIS A 129 -6.169 -2.431 3.594 1.00 0.95 H new ATOM 0 HA HIS A 129 -5.426 -3.490 1.011 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -6.654 -1.520 0.158 1.00 1.07 H new ATOM 0 HB3 HIS A 129 -7.611 -2.430 1.311 1.00 1.07 H new ATOM 0 HD2 HIS A 129 -6.090 1.106 0.886 1.00 1.27 H new ATOM 0 HE1 HIS A 129 -8.129 1.041 4.597 1.00 1.45 H new ATOM 0 HE2 HIS A 129 -6.958 2.517 2.892 1.00 1.48 H new ATOM 1931 N LEU A 130 -3.154 -2.039 2.094 1.00 0.73 N ATOM 1932 CA LEU A 130 -1.843 -1.430 1.810 1.00 0.69 C ATOM 1933 C LEU A 130 -0.690 -2.374 2.136 1.00 0.69 C ATOM 1934 O LEU A 130 0.467 -1.962 2.125 1.00 0.72 O ATOM 1935 CB LEU A 130 -1.638 -0.138 2.594 1.00 0.75 C ATOM 1936 CG LEU A 130 -1.692 1.161 1.787 1.00 0.81 C ATOM 1937 CD1 LEU A 130 -3.116 1.627 1.574 1.00 1.27 C ATOM 1938 CD2 LEU A 130 -0.874 2.239 2.469 1.00 1.29 C ATOM 0 H LEU A 130 -3.158 -2.679 2.888 1.00 0.73 H new ATOM 0 HA LEU A 130 -1.843 -1.215 0.741 1.00 0.69 H new ATOM 0 HB2 LEU A 130 -2.397 -0.088 3.375 1.00 0.75 H new ATOM 0 HB3 LEU A 130 -0.670 -0.191 3.093 1.00 0.75 H new ATOM 0 HG LEU A 130 -1.263 0.961 0.805 1.00 0.81 H new ATOM 0 HD11 LEU A 130 -3.114 2.552 0.997 1.00 1.27 H new ATOM 0 HD12 LEU A 130 -3.672 0.862 1.031 1.00 1.27 H new ATOM 0 HD13 LEU A 130 -3.590 1.803 2.540 1.00 1.27 H new ATOM 0 HD21 LEU A 130 -0.922 3.157 1.883 1.00 1.29 H new ATOM 0 HD22 LEU A 130 -1.274 2.423 3.466 1.00 1.29 H new ATOM 0 HD23 LEU A 130 0.163 1.913 2.549 1.00 1.29 H new ATOM 1950 N VAL A 131 -0.986 -3.631 2.420 1.00 0.76 N ATOM 1951 CA VAL A 131 0.074 -4.592 2.671 1.00 0.84 C ATOM 1952 C VAL A 131 0.379 -5.394 1.424 1.00 0.76 C ATOM 1953 O VAL A 131 -0.472 -6.135 0.919 1.00 0.76 O ATOM 1954 CB VAL A 131 -0.230 -5.523 3.861 1.00 1.05 C ATOM 1955 CG1 VAL A 131 0.609 -6.791 3.789 1.00 1.72 C ATOM 1956 CG2 VAL A 131 0.071 -4.789 5.150 1.00 1.59 C ATOM 0 H VAL A 131 -1.933 -4.005 2.482 1.00 0.76 H new ATOM 0 HA VAL A 131 0.958 -4.016 2.945 1.00 0.84 H new ATOM 0 HB VAL A 131 -1.282 -5.807 3.825 1.00 1.05 H new ATOM 0 HG11 VAL A 131 0.375 -7.431 4.640 1.00 1.72 H new ATOM 0 HG12 VAL A 131 0.386 -7.322 2.864 1.00 1.72 H new ATOM 0 HG13 VAL A 131 1.667 -6.529 3.812 1.00 1.72 H new ATOM 0 HG21 VAL A 131 -0.141 -5.440 5.998 1.00 1.59 H new ATOM 0 HG22 VAL A 131 1.122 -4.501 5.168 1.00 1.59 H new ATOM 0 HG23 VAL A 131 -0.551 -3.896 5.214 1.00 1.59 H new ATOM 1966 N PRO A 132 1.602 -5.218 0.905 1.00 0.78 N ATOM 1967 CA PRO A 132 2.082 -5.904 -0.291 1.00 0.79 C ATOM 1968 C PRO A 132 1.829 -7.414 -0.212 1.00 0.83 C ATOM 1969 O PRO A 132 2.152 -8.047 0.798 1.00 0.85 O ATOM 1970 CB PRO A 132 3.587 -5.611 -0.272 1.00 0.90 C ATOM 1971 CG PRO A 132 3.693 -4.302 0.417 1.00 1.04 C ATOM 1972 CD PRO A 132 2.619 -4.309 1.465 1.00 0.88 C ATOM 0 HA PRO A 132 1.580 -5.571 -1.199 1.00 0.79 H new ATOM 0 HB2 PRO A 132 4.137 -6.387 0.260 1.00 0.90 H new ATOM 0 HB3 PRO A 132 3.997 -5.565 -1.281 1.00 0.90 H new ATOM 0 HG2 PRO A 132 4.678 -4.174 0.866 1.00 1.04 H new ATOM 0 HG3 PRO A 132 3.552 -3.478 -0.283 1.00 1.04 H new ATOM 0 HD2 PRO A 132 2.995 -4.668 2.423 1.00 0.88 H new ATOM 0 HD3 PRO A 132 2.216 -3.310 1.634 1.00 0.88 H new