USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=20 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 70:sc= 0.195 USER MOD Set 1.2: A 116 LYS NZ :NH3+ 154:sc= 0.848 (180deg=-2.07) USER MOD Set 2.1: A 68 THR OG1 : rot 114:sc= 0.43 USER MOD Set 2.2: A 71 ASN : amide:sc= 0.452 X(o=0.88,f=1.2) USER MOD Set 3.1: A 53 TYR OH : rot 70:sc= -0.326! USER MOD Set 3.2: A 111 HIS : no HE2:sc= 1.1 K(o=0.78,f=-8.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -151:sc= 0.131 (180deg=-0.261) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 97:sc= 1.28 USER MOD Single : A 59 THR OG1 : rot 85:sc= 1.14 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0146 X(o=-0.015,f=-0.36) USER MOD Single : A 66 LYS NZ :NH3+ -107:sc= 0.749 (180deg=0.0136) USER MOD Single : A 73 LYS NZ :NH3+ -154:sc= -0.101 (180deg=-1.74!) USER MOD Single : A 74 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0121) USER MOD Single : A 76 MET CE :methyl -175:sc= -1.22 (180deg=-1.43) USER MOD Single : A 78 LYS NZ :NH3+ -160:sc= 0.366 (180deg=0.0755) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.014) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00246 USER MOD Single : A 88 LYS NZ :NH3+ -144:sc= 0.568 (180deg=0.0754) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= -0.0543 (180deg=-0.315) USER MOD Single : A 110 ASN : amide:sc= -0.0892 X(o=-0.089,f=0.4) USER MOD Single : A 114 LYS NZ :NH3+ 171:sc= 1.31 (180deg=1.13) USER MOD Single : A 120 HIS : no HE2:sc= -0.818 X(o=-0.82,f=-1.2) USER MOD Single : A 129 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.037) USER MOD ----------------------------------------------------------------- ATOM 587 N VAL A 45 -4.303 0.714 -3.908 1.00 0.83 N ATOM 588 CA VAL A 45 -3.959 1.773 -4.850 1.00 0.83 C ATOM 589 C VAL A 45 -2.578 1.565 -5.493 1.00 0.65 C ATOM 590 O VAL A 45 -2.280 2.129 -6.529 1.00 0.73 O ATOM 591 CB VAL A 45 -3.994 3.145 -4.137 1.00 1.00 C ATOM 592 CG1 VAL A 45 -3.846 4.290 -5.125 1.00 1.21 C ATOM 593 CG2 VAL A 45 -5.275 3.305 -3.330 1.00 1.20 C ATOM 0 HA VAL A 45 -4.701 1.743 -5.648 1.00 0.83 H new ATOM 0 HB VAL A 45 -3.146 3.179 -3.454 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -3.875 5.239 -4.589 1.00 1.21 H new ATOM 0 HG12 VAL A 45 -2.895 4.198 -5.649 1.00 1.21 H new ATOM 0 HG13 VAL A 45 -4.662 4.256 -5.847 1.00 1.21 H new ATOM 0 HG21 VAL A 45 -5.276 4.278 -2.838 1.00 1.20 H new ATOM 0 HG22 VAL A 45 -6.135 3.234 -3.995 1.00 1.20 H new ATOM 0 HG23 VAL A 45 -5.332 2.518 -2.578 1.00 1.20 H new ATOM 603 N VAL A 46 -1.728 0.747 -4.899 1.00 0.48 N ATOM 604 CA VAL A 46 -0.415 0.511 -5.479 1.00 0.34 C ATOM 605 C VAL A 46 -0.496 -0.402 -6.700 1.00 0.33 C ATOM 606 O VAL A 46 0.416 -0.425 -7.516 1.00 0.40 O ATOM 607 CB VAL A 46 0.596 -0.024 -4.412 1.00 0.33 C ATOM 608 CG1 VAL A 46 1.524 -1.097 -4.963 1.00 0.66 C ATOM 609 CG2 VAL A 46 1.418 1.137 -3.869 1.00 0.53 C ATOM 0 H VAL A 46 -1.916 0.243 -4.032 1.00 0.48 H new ATOM 0 HA VAL A 46 -0.033 1.471 -5.826 1.00 0.34 H new ATOM 0 HB VAL A 46 0.013 -0.487 -3.616 1.00 0.33 H new ATOM 0 HG11 VAL A 46 2.203 -1.430 -4.177 1.00 0.66 H new ATOM 0 HG12 VAL A 46 0.934 -1.943 -5.315 1.00 0.66 H new ATOM 0 HG13 VAL A 46 2.101 -0.688 -5.792 1.00 0.66 H new ATOM 0 HG21 VAL A 46 2.123 0.767 -3.125 1.00 0.53 H new ATOM 0 HG22 VAL A 46 1.965 1.608 -4.685 1.00 0.53 H new ATOM 0 HG23 VAL A 46 0.754 1.868 -3.407 1.00 0.53 H new ATOM 619 N GLY A 47 -1.604 -1.093 -6.876 1.00 0.42 N ATOM 620 CA GLY A 47 -1.757 -1.903 -8.063 1.00 0.54 C ATOM 621 C GLY A 47 -1.834 -1.051 -9.319 1.00 0.56 C ATOM 622 O GLY A 47 -1.705 -1.558 -10.432 1.00 0.72 O ATOM 0 H GLY A 47 -2.393 -1.110 -6.229 1.00 0.42 H new ATOM 0 HA2 GLY A 47 -0.918 -2.594 -8.143 1.00 0.54 H new ATOM 0 HA3 GLY A 47 -2.660 -2.507 -7.977 1.00 0.54 H new ATOM 626 N LYS A 48 -2.045 0.251 -9.135 1.00 0.49 N ATOM 627 CA LYS A 48 -2.067 1.190 -10.243 1.00 0.60 C ATOM 628 C LYS A 48 -0.846 2.101 -10.207 1.00 0.54 C ATOM 629 O LYS A 48 -0.387 2.587 -11.241 1.00 0.67 O ATOM 630 CB LYS A 48 -3.338 2.037 -10.202 1.00 0.76 C ATOM 631 CG LYS A 48 -3.588 2.760 -8.893 1.00 0.94 C ATOM 632 CD LYS A 48 -3.292 4.245 -9.010 1.00 1.43 C ATOM 633 CE LYS A 48 -4.152 4.915 -10.071 1.00 2.26 C ATOM 634 NZ LYS A 48 -3.977 6.393 -10.081 1.00 2.97 N ATOM 0 H LYS A 48 -2.203 0.677 -8.222 1.00 0.49 H new ATOM 0 HA LYS A 48 -2.049 0.614 -11.169 1.00 0.60 H new ATOM 0 HB2 LYS A 48 -3.290 2.775 -11.003 1.00 0.76 H new ATOM 0 HB3 LYS A 48 -4.192 1.393 -10.412 1.00 0.76 H new ATOM 0 HG2 LYS A 48 -4.625 2.618 -8.590 1.00 0.94 H new ATOM 0 HG3 LYS A 48 -2.965 2.325 -8.111 1.00 0.94 H new ATOM 0 HD2 LYS A 48 -3.464 4.726 -8.047 1.00 1.43 H new ATOM 0 HD3 LYS A 48 -2.239 4.387 -9.254 1.00 1.43 H new ATOM 0 HE2 LYS A 48 -3.896 4.513 -11.051 1.00 2.26 H new ATOM 0 HE3 LYS A 48 -5.200 4.676 -9.892 1.00 2.26 H new ATOM 0 HZ1 LYS A 48 -4.581 6.809 -10.818 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 -4.246 6.781 -9.154 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 -2.982 6.623 -10.278 1.00 2.97 H new ATOM 648 N ASP A 49 -0.331 2.317 -9.007 1.00 0.45 N ATOM 649 CA ASP A 49 0.804 3.204 -8.792 1.00 0.50 C ATOM 650 C ASP A 49 2.130 2.460 -8.985 1.00 0.40 C ATOM 651 O ASP A 49 3.175 3.078 -9.199 1.00 0.40 O ATOM 652 CB ASP A 49 0.741 3.790 -7.376 1.00 0.68 C ATOM 653 CG ASP A 49 -0.008 5.109 -7.268 1.00 1.09 C ATOM 654 OD1 ASP A 49 0.618 6.177 -7.466 1.00 1.83 O ATOM 655 OD2 ASP A 49 -1.200 5.089 -6.922 1.00 1.58 O ATOM 0 H ASP A 49 -0.687 1.884 -8.155 1.00 0.45 H new ATOM 0 HA ASP A 49 0.753 4.009 -9.526 1.00 0.50 H new ATOM 0 HB2 ASP A 49 0.266 3.063 -6.717 1.00 0.68 H new ATOM 0 HB3 ASP A 49 1.758 3.934 -7.011 1.00 0.68 H new ATOM 660 N LYS A 50 2.072 1.128 -8.922 1.00 0.37 N ATOM 661 CA LYS A 50 3.259 0.278 -8.973 1.00 0.35 C ATOM 662 C LYS A 50 4.153 0.587 -10.174 1.00 0.35 C ATOM 663 O LYS A 50 5.341 0.773 -9.985 1.00 0.35 O ATOM 664 CB LYS A 50 2.887 -1.210 -8.995 1.00 0.39 C ATOM 665 CG LYS A 50 4.080 -2.120 -8.721 1.00 0.48 C ATOM 666 CD LYS A 50 3.706 -3.586 -8.821 1.00 0.63 C ATOM 667 CE LYS A 50 4.887 -4.493 -8.510 1.00 0.80 C ATOM 668 NZ LYS A 50 5.960 -4.427 -9.548 1.00 1.13 N ATOM 0 H LYS A 50 1.198 0.609 -8.834 1.00 0.37 H new ATOM 0 HA LYS A 50 3.818 0.499 -8.064 1.00 0.35 H new ATOM 0 HB2 LYS A 50 2.114 -1.398 -8.250 1.00 0.39 H new ATOM 0 HB3 LYS A 50 2.461 -1.459 -9.967 1.00 0.39 H new ATOM 0 HG2 LYS A 50 4.876 -1.899 -9.432 1.00 0.48 H new ATOM 0 HG3 LYS A 50 4.474 -1.913 -7.726 1.00 0.48 H new ATOM 0 HD2 LYS A 50 2.891 -3.801 -8.130 1.00 0.63 H new ATOM 0 HD3 LYS A 50 3.338 -3.800 -9.825 1.00 0.63 H new ATOM 0 HE2 LYS A 50 5.307 -4.216 -7.543 1.00 0.80 H new ATOM 0 HE3 LYS A 50 4.536 -5.521 -8.422 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 6.463 -5.337 -9.586 1.00 1.13 H new ATOM 0 HZ2 LYS A 50 5.534 -4.228 -10.476 1.00 1.13 H new ATOM 0 HZ3 LYS A 50 6.631 -3.670 -9.306 1.00 1.13 H new ATOM 682 N PRO A 51 3.609 0.638 -11.418 1.00 0.39 N ATOM 683 CA PRO A 51 4.408 0.902 -12.628 1.00 0.43 C ATOM 684 C PRO A 51 5.452 2.004 -12.446 1.00 0.37 C ATOM 685 O PRO A 51 6.586 1.870 -12.901 1.00 0.36 O ATOM 686 CB PRO A 51 3.356 1.338 -13.641 1.00 0.56 C ATOM 687 CG PRO A 51 2.128 0.590 -13.253 1.00 0.55 C ATOM 688 CD PRO A 51 2.185 0.425 -11.757 1.00 0.45 C ATOM 0 HA PRO A 51 4.989 0.027 -12.919 1.00 0.43 H new ATOM 0 HB2 PRO A 51 3.192 2.415 -13.604 1.00 0.56 H new ATOM 0 HB3 PRO A 51 3.662 1.097 -14.659 1.00 0.56 H new ATOM 0 HG2 PRO A 51 1.232 1.135 -13.550 1.00 0.55 H new ATOM 0 HG3 PRO A 51 2.091 -0.380 -13.749 1.00 0.55 H new ATOM 0 HD2 PRO A 51 1.544 1.148 -11.253 1.00 0.45 H new ATOM 0 HD3 PRO A 51 1.848 -0.566 -11.453 1.00 0.45 H new ATOM 696 N THR A 52 5.078 3.067 -11.743 1.00 0.36 N ATOM 697 CA THR A 52 5.947 4.215 -11.562 1.00 0.36 C ATOM 698 C THR A 52 7.066 3.896 -10.571 1.00 0.29 C ATOM 699 O THR A 52 8.242 4.188 -10.807 1.00 0.32 O ATOM 700 CB THR A 52 5.128 5.426 -11.071 1.00 0.44 C ATOM 701 OG1 THR A 52 4.151 5.771 -12.062 1.00 0.60 O ATOM 702 CG2 THR A 52 6.014 6.629 -10.792 1.00 0.50 C ATOM 0 H THR A 52 4.170 3.154 -11.287 1.00 0.36 H new ATOM 0 HA THR A 52 6.401 4.460 -12.522 1.00 0.36 H new ATOM 0 HB THR A 52 4.639 5.147 -10.138 1.00 0.44 H new ATOM 0 HG1 THR A 52 3.628 6.539 -11.752 1.00 0.60 H new ATOM 0 HG21 THR A 52 5.400 7.461 -10.448 1.00 0.50 H new ATOM 0 HG22 THR A 52 6.743 6.374 -10.023 1.00 0.50 H new ATOM 0 HG23 THR A 52 6.536 6.916 -11.705 1.00 0.50 H new ATOM 710 N TYR A 53 6.705 3.252 -9.481 1.00 0.25 N ATOM 711 CA TYR A 53 7.673 2.923 -8.453 1.00 0.24 C ATOM 712 C TYR A 53 8.548 1.771 -8.910 1.00 0.22 C ATOM 713 O TYR A 53 9.679 1.619 -8.466 1.00 0.24 O ATOM 714 CB TYR A 53 6.953 2.488 -7.196 1.00 0.27 C ATOM 715 CG TYR A 53 5.789 3.352 -6.800 1.00 0.31 C ATOM 716 CD1 TYR A 53 5.846 4.735 -6.884 1.00 0.81 C ATOM 717 CD2 TYR A 53 4.629 2.768 -6.342 1.00 0.64 C ATOM 718 CE1 TYR A 53 4.766 5.509 -6.510 1.00 0.94 C ATOM 719 CE2 TYR A 53 3.554 3.526 -5.964 1.00 0.68 C ATOM 720 CZ TYR A 53 3.623 4.893 -6.050 1.00 0.62 C ATOM 721 OH TYR A 53 2.540 5.645 -5.663 1.00 0.79 O ATOM 0 H TYR A 53 5.752 2.946 -9.283 1.00 0.25 H new ATOM 0 HA TYR A 53 8.283 3.805 -8.260 1.00 0.24 H new ATOM 0 HB2 TYR A 53 6.598 1.467 -7.334 1.00 0.27 H new ATOM 0 HB3 TYR A 53 7.668 2.469 -6.374 1.00 0.27 H new ATOM 0 HD1 TYR A 53 6.745 5.212 -7.246 1.00 0.81 H new ATOM 0 HD2 TYR A 53 4.566 1.692 -6.280 1.00 0.64 H new ATOM 0 HE1 TYR A 53 4.817 6.586 -6.577 1.00 0.94 H new ATOM 0 HE2 TYR A 53 2.656 3.050 -5.600 1.00 0.68 H new ATOM 0 HH TYR A 53 2.132 6.061 -6.451 1.00 0.79 H new ATOM 731 N ASP A 54 8.004 0.991 -9.824 1.00 0.21 N ATOM 732 CA ASP A 54 8.672 -0.195 -10.337 1.00 0.23 C ATOM 733 C ASP A 54 9.688 0.193 -11.413 1.00 0.22 C ATOM 734 O ASP A 54 10.778 -0.377 -11.491 1.00 0.23 O ATOM 735 CB ASP A 54 7.607 -1.134 -10.908 1.00 0.31 C ATOM 736 CG ASP A 54 8.140 -2.480 -11.336 1.00 0.58 C ATOM 737 OD1 ASP A 54 8.327 -3.347 -10.463 1.00 1.14 O ATOM 738 OD2 ASP A 54 8.432 -2.649 -12.539 1.00 1.16 O ATOM 0 H ASP A 54 7.085 1.160 -10.234 1.00 0.21 H new ATOM 0 HA ASP A 54 9.215 -0.698 -9.537 1.00 0.23 H new ATOM 0 HB2 ASP A 54 6.830 -1.284 -10.158 1.00 0.31 H new ATOM 0 HB3 ASP A 54 7.135 -0.653 -11.764 1.00 0.31 H new ATOM 743 N GLU A 55 9.336 1.190 -12.224 1.00 0.24 N ATOM 744 CA GLU A 55 10.254 1.710 -13.233 1.00 0.28 C ATOM 745 C GLU A 55 11.429 2.401 -12.559 1.00 0.29 C ATOM 746 O GLU A 55 12.574 2.215 -12.966 1.00 0.35 O ATOM 747 CB GLU A 55 9.539 2.657 -14.208 1.00 0.35 C ATOM 748 CG GLU A 55 8.978 3.919 -13.577 1.00 0.40 C ATOM 749 CD GLU A 55 8.161 4.737 -14.555 1.00 0.88 C ATOM 750 OE1 GLU A 55 8.758 5.460 -15.382 1.00 1.38 O ATOM 751 OE2 GLU A 55 6.918 4.672 -14.497 1.00 1.63 O ATOM 0 H GLU A 55 8.426 1.651 -12.202 1.00 0.24 H new ATOM 0 HA GLU A 55 10.631 0.872 -13.819 1.00 0.28 H new ATOM 0 HB2 GLU A 55 10.238 2.941 -14.994 1.00 0.35 H new ATOM 0 HB3 GLU A 55 8.724 2.114 -14.687 1.00 0.35 H new ATOM 0 HG2 GLU A 55 8.356 3.650 -12.723 1.00 0.40 H new ATOM 0 HG3 GLU A 55 9.798 4.527 -13.195 1.00 0.40 H new ATOM 758 N ILE A 56 11.153 3.166 -11.505 1.00 0.27 N ATOM 759 CA ILE A 56 12.222 3.791 -10.735 1.00 0.30 C ATOM 760 C ILE A 56 12.995 2.720 -9.970 1.00 0.27 C ATOM 761 O ILE A 56 14.195 2.842 -9.745 1.00 0.30 O ATOM 762 CB ILE A 56 11.677 4.852 -9.754 1.00 0.34 C ATOM 763 CG1 ILE A 56 10.813 5.871 -10.502 1.00 0.42 C ATOM 764 CG2 ILE A 56 12.826 5.562 -9.038 1.00 0.36 C ATOM 765 CD1 ILE A 56 10.007 6.772 -9.589 1.00 0.61 C ATOM 0 H ILE A 56 10.211 3.365 -11.169 1.00 0.27 H new ATOM 0 HA ILE A 56 12.887 4.300 -11.433 1.00 0.30 H new ATOM 0 HB ILE A 56 11.062 4.348 -9.008 1.00 0.34 H new ATOM 0 HG12 ILE A 56 11.456 6.487 -11.131 1.00 0.42 H new ATOM 0 HG13 ILE A 56 10.132 5.339 -11.166 1.00 0.42 H new ATOM 0 HG21 ILE A 56 12.422 6.306 -8.351 1.00 0.36 H new ATOM 0 HG22 ILE A 56 13.413 4.833 -8.479 1.00 0.36 H new ATOM 0 HG23 ILE A 56 13.463 6.054 -9.772 1.00 0.36 H new ATOM 0 HD11 ILE A 56 9.420 7.467 -10.189 1.00 0.61 H new ATOM 0 HD12 ILE A 56 9.338 6.166 -8.978 1.00 0.61 H new ATOM 0 HD13 ILE A 56 10.682 7.332 -8.942 1.00 0.61 H new ATOM 777 N PHE A 57 12.296 1.656 -9.607 1.00 0.24 N ATOM 778 CA PHE A 57 12.893 0.519 -8.923 1.00 0.22 C ATOM 779 C PHE A 57 14.030 -0.083 -9.741 1.00 0.24 C ATOM 780 O PHE A 57 15.160 -0.193 -9.262 1.00 0.32 O ATOM 781 CB PHE A 57 11.809 -0.523 -8.652 1.00 0.20 C ATOM 782 CG PHE A 57 12.319 -1.836 -8.141 1.00 0.19 C ATOM 783 CD1 PHE A 57 12.887 -1.926 -6.881 1.00 0.85 C ATOM 784 CD2 PHE A 57 12.234 -2.977 -8.915 1.00 0.83 C ATOM 785 CE1 PHE A 57 13.358 -3.130 -6.406 1.00 0.88 C ATOM 786 CE2 PHE A 57 12.705 -4.183 -8.442 1.00 0.83 C ATOM 787 CZ PHE A 57 13.261 -4.270 -7.207 1.00 0.28 C ATOM 0 H PHE A 57 11.296 1.556 -9.779 1.00 0.24 H new ATOM 0 HA PHE A 57 13.319 0.856 -7.978 1.00 0.22 H new ATOM 0 HB2 PHE A 57 11.105 -0.115 -7.927 1.00 0.20 H new ATOM 0 HB3 PHE A 57 11.253 -0.698 -9.573 1.00 0.20 H new ATOM 0 HD1 PHE A 57 12.961 -1.043 -6.264 1.00 0.85 H new ATOM 0 HD2 PHE A 57 11.794 -2.924 -9.900 1.00 0.83 H new ATOM 0 HE1 PHE A 57 13.799 -3.192 -5.422 1.00 0.88 H new ATOM 0 HE2 PHE A 57 12.631 -5.066 -9.059 1.00 0.83 H new ATOM 0 HZ PHE A 57 13.628 -5.219 -6.844 1.00 0.28 H new ATOM 797 N TYR A 58 13.741 -0.451 -10.982 1.00 0.26 N ATOM 798 CA TYR A 58 14.762 -1.016 -11.858 1.00 0.29 C ATOM 799 C TYR A 58 15.765 0.051 -12.269 1.00 0.33 C ATOM 800 O TYR A 58 16.898 -0.249 -12.645 1.00 0.37 O ATOM 801 CB TYR A 58 14.125 -1.665 -13.085 1.00 0.33 C ATOM 802 CG TYR A 58 13.305 -2.891 -12.734 1.00 0.34 C ATOM 803 CD1 TYR A 58 13.917 -4.046 -12.262 1.00 1.00 C ATOM 804 CD2 TYR A 58 11.922 -2.880 -12.834 1.00 0.88 C ATOM 805 CE1 TYR A 58 13.173 -5.155 -11.905 1.00 1.03 C ATOM 806 CE2 TYR A 58 11.171 -3.985 -12.470 1.00 0.92 C ATOM 807 CZ TYR A 58 11.801 -5.121 -12.008 1.00 0.50 C ATOM 808 OH TYR A 58 11.052 -6.215 -11.630 1.00 0.61 O ATOM 0 H TYR A 58 12.816 -0.370 -11.404 1.00 0.26 H new ATOM 0 HA TYR A 58 15.295 -1.790 -11.306 1.00 0.29 H new ATOM 0 HB2 TYR A 58 13.488 -0.937 -13.587 1.00 0.33 H new ATOM 0 HB3 TYR A 58 14.907 -1.945 -13.791 1.00 0.33 H new ATOM 0 HD1 TYR A 58 14.993 -4.078 -12.173 1.00 1.00 H new ATOM 0 HD2 TYR A 58 11.423 -1.996 -13.202 1.00 0.88 H new ATOM 0 HE1 TYR A 58 13.667 -6.046 -11.546 1.00 1.03 H new ATOM 0 HE2 TYR A 58 10.094 -3.957 -12.548 1.00 0.92 H new ATOM 0 HH TYR A 58 10.728 -6.089 -10.714 1.00 0.61 H new ATOM 818 N THR A 59 15.333 1.296 -12.177 1.00 0.33 N ATOM 819 CA THR A 59 16.186 2.441 -12.440 1.00 0.38 C ATOM 820 C THR A 59 17.199 2.647 -11.300 1.00 0.38 C ATOM 821 O THR A 59 18.274 3.220 -11.501 1.00 0.44 O ATOM 822 CB THR A 59 15.306 3.698 -12.627 1.00 0.40 C ATOM 823 OG1 THR A 59 14.568 3.592 -13.846 1.00 0.44 O ATOM 824 CG2 THR A 59 16.116 4.979 -12.640 1.00 0.44 C ATOM 0 H THR A 59 14.378 1.542 -11.917 1.00 0.33 H new ATOM 0 HA THR A 59 16.754 2.261 -13.353 1.00 0.38 H new ATOM 0 HB THR A 59 14.629 3.747 -11.774 1.00 0.40 H new ATOM 0 HG1 THR A 59 13.749 3.078 -13.689 1.00 0.44 H new ATOM 0 HG21 THR A 59 15.448 5.830 -12.774 1.00 0.44 H new ATOM 0 HG22 THR A 59 16.650 5.082 -11.695 1.00 0.44 H new ATOM 0 HG23 THR A 59 16.833 4.948 -13.460 1.00 0.44 H new ATOM 832 N LEU A 60 16.857 2.160 -10.111 1.00 0.33 N ATOM 833 CA LEU A 60 17.748 2.253 -8.957 1.00 0.35 C ATOM 834 C LEU A 60 18.581 0.983 -8.811 1.00 0.36 C ATOM 835 O LEU A 60 19.277 0.806 -7.815 1.00 0.45 O ATOM 836 CB LEU A 60 16.950 2.514 -7.673 1.00 0.35 C ATOM 837 CG LEU A 60 16.265 3.877 -7.595 1.00 0.49 C ATOM 838 CD1 LEU A 60 15.686 4.097 -6.210 1.00 0.79 C ATOM 839 CD2 LEU A 60 17.241 4.991 -7.938 1.00 0.76 C ATOM 0 H LEU A 60 15.969 1.696 -9.920 1.00 0.33 H new ATOM 0 HA LEU A 60 18.423 3.092 -9.122 1.00 0.35 H new ATOM 0 HB2 LEU A 60 16.191 1.738 -7.573 1.00 0.35 H new ATOM 0 HB3 LEU A 60 17.622 2.414 -6.821 1.00 0.35 H new ATOM 0 HG LEU A 60 15.454 3.894 -8.323 1.00 0.49 H new ATOM 0 HD11 LEU A 60 15.201 5.072 -6.169 1.00 0.79 H new ATOM 0 HD12 LEU A 60 14.954 3.319 -5.994 1.00 0.79 H new ATOM 0 HD13 LEU A 60 16.486 4.058 -5.471 1.00 0.79 H new ATOM 0 HD21 LEU A 60 16.732 5.953 -7.876 1.00 0.76 H new ATOM 0 HD22 LEU A 60 18.073 4.975 -7.234 1.00 0.76 H new ATOM 0 HD23 LEU A 60 17.619 4.845 -8.950 1.00 0.76 H new ATOM 851 N SER A 61 18.487 0.110 -9.813 1.00 0.33 N ATOM 852 CA SER A 61 19.293 -1.110 -9.880 1.00 0.36 C ATOM 853 C SER A 61 18.963 -2.087 -8.743 1.00 0.33 C ATOM 854 O SER A 61 19.560 -2.034 -7.667 1.00 0.37 O ATOM 855 CB SER A 61 20.790 -0.764 -9.873 1.00 0.45 C ATOM 856 OG SER A 61 21.590 -1.926 -10.004 1.00 0.64 O ATOM 0 H SER A 61 17.850 0.228 -10.601 1.00 0.33 H new ATOM 0 HA SER A 61 19.046 -1.610 -10.817 1.00 0.36 H new ATOM 0 HB2 SER A 61 21.010 -0.075 -10.689 1.00 0.45 H new ATOM 0 HB3 SER A 61 21.042 -0.250 -8.945 1.00 0.45 H new ATOM 0 HG SER A 61 22.537 -1.674 -9.998 1.00 0.64 H new ATOM 862 N PRO A 62 17.996 -2.993 -8.973 1.00 0.29 N ATOM 863 CA PRO A 62 17.637 -4.030 -8.010 1.00 0.31 C ATOM 864 C PRO A 62 18.655 -5.167 -7.957 1.00 0.32 C ATOM 865 O PRO A 62 19.212 -5.573 -8.979 1.00 0.46 O ATOM 866 CB PRO A 62 16.296 -4.571 -8.515 1.00 0.37 C ATOM 867 CG PRO A 62 15.925 -3.745 -9.703 1.00 0.36 C ATOM 868 CD PRO A 62 17.172 -3.065 -10.178 1.00 0.29 C ATOM 0 HA PRO A 62 17.598 -3.620 -7.001 1.00 0.31 H new ATOM 0 HB2 PRO A 62 16.380 -5.624 -8.785 1.00 0.37 H new ATOM 0 HB3 PRO A 62 15.533 -4.501 -7.740 1.00 0.37 H new ATOM 0 HG2 PRO A 62 15.505 -4.371 -10.490 1.00 0.36 H new ATOM 0 HG3 PRO A 62 15.164 -3.011 -9.438 1.00 0.36 H new ATOM 0 HD2 PRO A 62 17.664 -3.633 -10.968 1.00 0.29 H new ATOM 0 HD3 PRO A 62 16.961 -2.074 -10.581 1.00 0.29 H new ATOM 876 N VAL A 63 18.877 -5.681 -6.762 1.00 0.33 N ATOM 877 CA VAL A 63 19.746 -6.822 -6.555 1.00 0.42 C ATOM 878 C VAL A 63 18.934 -7.935 -5.902 1.00 0.44 C ATOM 879 O VAL A 63 18.394 -7.740 -4.814 1.00 0.45 O ATOM 880 CB VAL A 63 20.951 -6.464 -5.655 1.00 0.58 C ATOM 881 CG1 VAL A 63 21.891 -7.649 -5.502 1.00 1.33 C ATOM 882 CG2 VAL A 63 21.693 -5.256 -6.203 1.00 1.28 C ATOM 0 H VAL A 63 18.458 -5.317 -5.906 1.00 0.33 H new ATOM 0 HA VAL A 63 20.138 -7.143 -7.520 1.00 0.42 H new ATOM 0 HB VAL A 63 20.567 -6.210 -4.667 1.00 0.58 H new ATOM 0 HG11 VAL A 63 22.729 -7.369 -4.864 1.00 1.33 H new ATOM 0 HG12 VAL A 63 21.354 -8.483 -5.050 1.00 1.33 H new ATOM 0 HG13 VAL A 63 22.264 -7.946 -6.482 1.00 1.33 H new ATOM 0 HG21 VAL A 63 22.537 -5.022 -5.554 1.00 1.28 H new ATOM 0 HG22 VAL A 63 22.057 -5.477 -7.206 1.00 1.28 H new ATOM 0 HG23 VAL A 63 21.018 -4.401 -6.242 1.00 1.28 H new ATOM 892 N ASN A 64 18.811 -9.067 -6.595 1.00 0.54 N ATOM 893 CA ASN A 64 18.060 -10.230 -6.100 1.00 0.63 C ATOM 894 C ASN A 64 16.558 -9.950 -6.052 1.00 0.55 C ATOM 895 O ASN A 64 15.810 -10.632 -5.353 1.00 0.60 O ATOM 896 CB ASN A 64 18.552 -10.636 -4.702 1.00 0.71 C ATOM 897 CG ASN A 64 20.018 -11.014 -4.682 1.00 1.08 C ATOM 898 OD1 ASN A 64 20.540 -11.597 -5.634 1.00 1.42 O ATOM 899 ND2 ASN A 64 20.702 -10.647 -3.611 1.00 1.67 N ATOM 0 H ASN A 64 19.227 -9.208 -7.515 1.00 0.54 H new ATOM 0 HA ASN A 64 18.235 -11.049 -6.797 1.00 0.63 H new ATOM 0 HB2 ASN A 64 18.385 -9.811 -4.009 1.00 0.71 H new ATOM 0 HB3 ASN A 64 17.960 -11.478 -4.344 1.00 0.71 H new ATOM 0 HD21 ASN A 64 21.701 -10.845 -3.551 1.00 1.67 H new ATOM 0 HD22 ASN A 64 20.231 -10.166 -2.845 1.00 1.67 H new ATOM 906 N GLY A 65 16.123 -8.965 -6.823 1.00 0.49 N ATOM 907 CA GLY A 65 14.707 -8.653 -6.928 1.00 0.50 C ATOM 908 C GLY A 65 14.264 -7.576 -5.952 1.00 0.39 C ATOM 909 O GLY A 65 13.088 -7.502 -5.601 1.00 0.49 O ATOM 0 H GLY A 65 16.730 -8.369 -7.385 1.00 0.49 H new ATOM 0 HA2 GLY A 65 14.486 -8.328 -7.945 1.00 0.50 H new ATOM 0 HA3 GLY A 65 14.127 -9.558 -6.750 1.00 0.50 H new ATOM 913 N LYS A 66 15.206 -6.760 -5.495 1.00 0.33 N ATOM 914 CA LYS A 66 14.905 -5.668 -4.571 1.00 0.26 C ATOM 915 C LYS A 66 16.024 -4.643 -4.587 1.00 0.21 C ATOM 916 O LYS A 66 17.154 -4.963 -4.933 1.00 0.27 O ATOM 917 CB LYS A 66 14.700 -6.176 -3.133 1.00 0.30 C ATOM 918 CG LYS A 66 15.829 -7.040 -2.613 1.00 0.75 C ATOM 919 CD LYS A 66 15.692 -8.455 -3.117 1.00 0.61 C ATOM 920 CE LYS A 66 15.278 -9.412 -2.024 1.00 1.21 C ATOM 921 NZ LYS A 66 14.862 -10.734 -2.560 1.00 1.82 N ATOM 0 H LYS A 66 16.191 -6.833 -5.750 1.00 0.33 H new ATOM 0 HA LYS A 66 13.976 -5.207 -4.906 1.00 0.26 H new ATOM 0 HB2 LYS A 66 14.579 -5.319 -2.471 1.00 0.30 H new ATOM 0 HB3 LYS A 66 13.772 -6.746 -3.090 1.00 0.30 H new ATOM 0 HG2 LYS A 66 16.786 -6.626 -2.931 1.00 0.75 H new ATOM 0 HG3 LYS A 66 15.825 -7.035 -1.523 1.00 0.75 H new ATOM 0 HD2 LYS A 66 14.956 -8.483 -3.920 1.00 0.61 H new ATOM 0 HD3 LYS A 66 16.641 -8.781 -3.543 1.00 0.61 H new ATOM 0 HE2 LYS A 66 16.107 -9.548 -1.330 1.00 1.21 H new ATOM 0 HE3 LYS A 66 14.455 -8.977 -1.456 1.00 1.21 H new ATOM 0 HZ1 LYS A 66 13.829 -10.829 -2.486 1.00 1.82 H new ATOM 0 HZ2 LYS A 66 15.146 -10.809 -3.558 1.00 1.82 H new ATOM 0 HZ3 LYS A 66 15.319 -11.490 -2.012 1.00 1.82 H new ATOM 935 N ILE A 67 15.715 -3.417 -4.216 1.00 0.18 N ATOM 936 CA ILE A 67 16.737 -2.392 -4.132 1.00 0.20 C ATOM 937 C ILE A 67 17.399 -2.442 -2.780 1.00 0.19 C ATOM 938 O ILE A 67 16.730 -2.626 -1.760 1.00 0.21 O ATOM 939 CB ILE A 67 16.196 -0.960 -4.369 1.00 0.25 C ATOM 940 CG1 ILE A 67 14.828 -0.792 -3.709 1.00 0.29 C ATOM 941 CG2 ILE A 67 16.130 -0.656 -5.860 1.00 0.41 C ATOM 942 CD1 ILE A 67 14.188 0.549 -3.956 1.00 0.35 C ATOM 0 H ILE A 67 14.775 -3.108 -3.970 1.00 0.18 H new ATOM 0 HA ILE A 67 17.450 -2.606 -4.928 1.00 0.20 H new ATOM 0 HB ILE A 67 16.880 -0.246 -3.911 1.00 0.25 H new ATOM 0 HG12 ILE A 67 14.162 -1.574 -4.074 1.00 0.29 H new ATOM 0 HG13 ILE A 67 14.934 -0.940 -2.634 1.00 0.29 H new ATOM 0 HG21 ILE A 67 15.748 0.354 -6.009 1.00 0.41 H new ATOM 0 HG22 ILE A 67 17.128 -0.734 -6.292 1.00 0.41 H new ATOM 0 HG23 ILE A 67 15.467 -1.370 -6.348 1.00 0.41 H new ATOM 0 HD11 ILE A 67 13.221 0.589 -3.455 1.00 0.35 H new ATOM 0 HD12 ILE A 67 14.832 1.337 -3.565 1.00 0.35 H new ATOM 0 HD13 ILE A 67 14.047 0.693 -5.027 1.00 0.35 H new ATOM 954 N THR A 68 18.709 -2.310 -2.773 1.00 0.24 N ATOM 955 CA THR A 68 19.428 -2.125 -1.540 1.00 0.30 C ATOM 956 C THR A 68 18.909 -0.864 -0.873 1.00 0.36 C ATOM 957 O THR A 68 18.805 0.188 -1.507 1.00 0.70 O ATOM 958 CB THR A 68 20.943 -2.059 -1.791 1.00 0.44 C ATOM 959 OG1 THR A 68 21.207 -1.376 -3.029 1.00 0.65 O ATOM 960 CG2 THR A 68 21.528 -3.464 -1.841 1.00 0.55 C ATOM 0 H THR A 68 19.293 -2.328 -3.609 1.00 0.24 H new ATOM 0 HA THR A 68 19.264 -2.975 -0.878 1.00 0.30 H new ATOM 0 HB THR A 68 21.411 -1.510 -0.974 1.00 0.44 H new ATOM 0 HG1 THR A 68 21.671 -0.533 -2.845 1.00 0.65 H new ATOM 0 HG21 THR A 68 22.602 -3.405 -2.019 1.00 0.55 H new ATOM 0 HG22 THR A 68 21.345 -3.968 -0.892 1.00 0.55 H new ATOM 0 HG23 THR A 68 21.057 -4.026 -2.647 1.00 0.55 H new ATOM 968 N GLY A 69 18.541 -0.990 0.391 1.00 0.29 N ATOM 969 CA GLY A 69 17.729 0.012 1.043 1.00 0.31 C ATOM 970 C GLY A 69 18.252 1.423 0.936 1.00 0.31 C ATOM 971 O GLY A 69 17.462 2.355 0.860 1.00 0.38 O ATOM 0 H GLY A 69 18.795 -1.780 0.984 1.00 0.29 H new ATOM 0 HA2 GLY A 69 16.726 -0.021 0.618 1.00 0.31 H new ATOM 0 HA3 GLY A 69 17.637 -0.246 2.098 1.00 0.31 H new ATOM 975 N ALA A 70 19.567 1.583 0.908 1.00 0.33 N ATOM 976 CA ALA A 70 20.185 2.909 0.821 1.00 0.37 C ATOM 977 C ALA A 70 19.652 3.727 -0.363 1.00 0.35 C ATOM 978 O ALA A 70 19.622 4.958 -0.311 1.00 0.39 O ATOM 979 CB ALA A 70 21.699 2.784 0.729 1.00 0.44 C ATOM 0 H ALA A 70 20.233 0.812 0.944 1.00 0.33 H new ATOM 0 HA ALA A 70 19.919 3.444 1.732 1.00 0.37 H new ATOM 0 HB1 ALA A 70 22.143 3.777 0.665 1.00 0.44 H new ATOM 0 HB2 ALA A 70 22.077 2.274 1.615 1.00 0.44 H new ATOM 0 HB3 ALA A 70 21.963 2.211 -0.159 1.00 0.44 H new ATOM 985 N ASN A 71 19.216 3.046 -1.420 1.00 0.35 N ATOM 986 CA ASN A 71 18.735 3.722 -2.627 1.00 0.37 C ATOM 987 C ASN A 71 17.317 4.221 -2.402 1.00 0.34 C ATOM 988 O ASN A 71 16.961 5.334 -2.784 1.00 0.34 O ATOM 989 CB ASN A 71 18.749 2.774 -3.826 1.00 0.47 C ATOM 990 CG ASN A 71 19.968 1.882 -3.856 1.00 1.01 C ATOM 991 OD1 ASN A 71 21.070 2.287 -3.473 1.00 2.11 O ATOM 992 ND2 ASN A 71 19.775 0.650 -4.293 1.00 1.00 N ATOM 0 H ASN A 71 19.185 2.028 -1.467 1.00 0.35 H new ATOM 0 HA ASN A 71 19.398 4.561 -2.836 1.00 0.37 H new ATOM 0 HB2 ASN A 71 17.852 2.155 -3.804 1.00 0.47 H new ATOM 0 HB3 ASN A 71 18.710 3.358 -4.745 1.00 0.47 H new ATOM 0 HD21 ASN A 71 20.554 -0.008 -4.323 1.00 1.00 H new ATOM 0 HD22 ASN A 71 18.847 0.357 -4.600 1.00 1.00 H new ATOM 999 N ALA A 72 16.508 3.391 -1.763 1.00 0.35 N ATOM 1000 CA ALA A 72 15.146 3.770 -1.427 1.00 0.35 C ATOM 1001 C ALA A 72 15.174 4.830 -0.342 1.00 0.31 C ATOM 1002 O ALA A 72 14.309 5.707 -0.273 1.00 0.30 O ATOM 1003 CB ALA A 72 14.353 2.560 -0.978 1.00 0.42 C ATOM 0 H ALA A 72 16.771 2.451 -1.467 1.00 0.35 H new ATOM 0 HA ALA A 72 14.656 4.179 -2.311 1.00 0.35 H new ATOM 0 HB1 ALA A 72 13.336 2.863 -0.731 1.00 0.42 H new ATOM 0 HB2 ALA A 72 14.327 1.824 -1.781 1.00 0.42 H new ATOM 0 HB3 ALA A 72 14.825 2.121 -0.099 1.00 0.42 H new ATOM 1009 N LYS A 73 16.194 4.744 0.496 1.00 0.31 N ATOM 1010 CA LYS A 73 16.442 5.755 1.509 1.00 0.31 C ATOM 1011 C LYS A 73 16.805 7.058 0.827 1.00 0.29 C ATOM 1012 O LYS A 73 16.399 8.126 1.262 1.00 0.30 O ATOM 1013 CB LYS A 73 17.559 5.328 2.471 1.00 0.37 C ATOM 1014 CG LYS A 73 17.218 4.090 3.277 1.00 0.39 C ATOM 1015 CD LYS A 73 15.925 4.269 4.050 1.00 0.44 C ATOM 1016 CE LYS A 73 16.124 5.095 5.306 1.00 0.85 C ATOM 1017 NZ LYS A 73 14.840 5.353 6.005 1.00 1.69 N ATOM 0 H LYS A 73 16.868 3.978 0.494 1.00 0.31 H new ATOM 0 HA LYS A 73 15.536 5.885 2.101 1.00 0.31 H new ATOM 0 HB2 LYS A 73 18.469 5.142 1.900 1.00 0.37 H new ATOM 0 HB3 LYS A 73 17.774 6.150 3.154 1.00 0.37 H new ATOM 0 HG2 LYS A 73 17.128 3.233 2.609 1.00 0.39 H new ATOM 0 HG3 LYS A 73 18.030 3.871 3.970 1.00 0.39 H new ATOM 0 HD2 LYS A 73 15.185 4.752 3.412 1.00 0.44 H new ATOM 0 HD3 LYS A 73 15.525 3.291 4.319 1.00 0.44 H new ATOM 0 HE2 LYS A 73 16.806 4.575 5.979 1.00 0.85 H new ATOM 0 HE3 LYS A 73 16.594 6.044 5.047 1.00 0.85 H new ATOM 0 HZ1 LYS A 73 14.917 6.229 6.560 1.00 1.69 H new ATOM 0 HZ2 LYS A 73 14.077 5.452 5.305 1.00 1.69 H new ATOM 0 HZ3 LYS A 73 14.625 4.558 6.641 1.00 1.69 H new ATOM 1031 N LYS A 74 17.550 6.943 -0.260 1.00 0.31 N ATOM 1032 CA LYS A 74 17.924 8.088 -1.072 1.00 0.34 C ATOM 1033 C LYS A 74 16.673 8.812 -1.549 1.00 0.31 C ATOM 1034 O LYS A 74 16.575 10.039 -1.462 1.00 0.33 O ATOM 1035 CB LYS A 74 18.744 7.613 -2.268 1.00 0.44 C ATOM 1036 CG LYS A 74 19.667 8.667 -2.825 1.00 0.83 C ATOM 1037 CD LYS A 74 20.584 9.197 -1.744 1.00 1.02 C ATOM 1038 CE LYS A 74 21.377 8.084 -1.073 1.00 0.96 C ATOM 1039 NZ LYS A 74 22.284 7.373 -2.017 1.00 1.35 N ATOM 0 H LYS A 74 17.912 6.054 -0.604 1.00 0.31 H new ATOM 0 HA LYS A 74 18.523 8.777 -0.477 1.00 0.34 H new ATOM 0 HB2 LYS A 74 19.334 6.746 -1.972 1.00 0.44 H new ATOM 0 HB3 LYS A 74 18.066 7.284 -3.055 1.00 0.44 H new ATOM 0 HG2 LYS A 74 20.259 8.247 -3.638 1.00 0.83 H new ATOM 0 HG3 LYS A 74 19.082 9.485 -3.246 1.00 0.83 H new ATOM 0 HD2 LYS A 74 21.273 9.923 -2.176 1.00 1.02 H new ATOM 0 HD3 LYS A 74 19.994 9.725 -0.994 1.00 1.02 H new ATOM 0 HE2 LYS A 74 21.966 8.504 -0.257 1.00 0.96 H new ATOM 0 HE3 LYS A 74 20.685 7.367 -0.631 1.00 0.96 H new ATOM 0 HZ1 LYS A 74 22.836 6.660 -1.498 1.00 1.35 H new ATOM 0 HZ2 LYS A 74 21.720 6.904 -2.754 1.00 1.35 H new ATOM 0 HZ3 LYS A 74 22.931 8.057 -2.459 1.00 1.35 H new ATOM 1053 N GLU A 75 15.720 8.022 -2.031 1.00 0.34 N ATOM 1054 CA GLU A 75 14.434 8.545 -2.491 1.00 0.38 C ATOM 1055 C GLU A 75 13.731 9.338 -1.392 1.00 0.34 C ATOM 1056 O GLU A 75 13.352 10.499 -1.584 1.00 0.38 O ATOM 1057 CB GLU A 75 13.510 7.404 -2.962 1.00 0.47 C ATOM 1058 CG GLU A 75 14.051 6.581 -4.127 1.00 0.62 C ATOM 1059 CD GLU A 75 14.596 7.439 -5.250 1.00 0.96 C ATOM 1060 OE1 GLU A 75 13.809 7.856 -6.125 1.00 1.48 O ATOM 1061 OE2 GLU A 75 15.825 7.680 -5.280 1.00 1.36 O ATOM 0 H GLU A 75 15.813 7.010 -2.115 1.00 0.34 H new ATOM 0 HA GLU A 75 14.641 9.210 -3.329 1.00 0.38 H new ATOM 0 HB2 GLU A 75 13.322 6.737 -2.121 1.00 0.47 H new ATOM 0 HB3 GLU A 75 12.549 7.830 -3.252 1.00 0.47 H new ATOM 0 HG2 GLU A 75 14.840 5.922 -3.764 1.00 0.62 H new ATOM 0 HG3 GLU A 75 13.256 5.944 -4.516 1.00 0.62 H new ATOM 1068 N MET A 76 13.580 8.722 -0.236 1.00 0.31 N ATOM 1069 CA MET A 76 12.865 9.354 0.868 1.00 0.32 C ATOM 1070 C MET A 76 13.683 10.490 1.497 1.00 0.31 C ATOM 1071 O MET A 76 13.120 11.402 2.100 1.00 0.36 O ATOM 1072 CB MET A 76 12.466 8.304 1.910 1.00 0.33 C ATOM 1073 CG MET A 76 13.598 7.382 2.294 1.00 0.50 C ATOM 1074 SD MET A 76 13.146 6.196 3.576 1.00 0.65 S ATOM 1075 CE MET A 76 12.061 5.097 2.660 1.00 0.46 C ATOM 0 H MET A 76 13.939 7.789 -0.032 1.00 0.31 H new ATOM 0 HA MET A 76 11.956 9.805 0.470 1.00 0.32 H new ATOM 0 HB2 MET A 76 12.100 8.810 2.803 1.00 0.33 H new ATOM 0 HB3 MET A 76 11.640 7.710 1.519 1.00 0.33 H new ATOM 0 HG2 MET A 76 13.933 6.841 1.409 1.00 0.50 H new ATOM 0 HG3 MET A 76 14.442 7.978 2.641 1.00 0.50 H new ATOM 0 HE1 MET A 76 11.630 4.362 3.339 1.00 0.46 H new ATOM 0 HE2 MET A 76 11.262 5.677 2.198 1.00 0.46 H new ATOM 0 HE3 MET A 76 12.632 4.585 1.886 1.00 0.46 H new ATOM 1085 N VAL A 77 15.005 10.444 1.343 1.00 0.30 N ATOM 1086 CA VAL A 77 15.878 11.529 1.796 1.00 0.34 C ATOM 1087 C VAL A 77 15.650 12.790 0.967 1.00 0.37 C ATOM 1088 O VAL A 77 15.348 13.853 1.506 1.00 0.41 O ATOM 1089 CB VAL A 77 17.378 11.143 1.710 1.00 0.39 C ATOM 1090 CG1 VAL A 77 18.276 12.372 1.769 1.00 0.59 C ATOM 1091 CG2 VAL A 77 17.759 10.183 2.826 1.00 0.42 C ATOM 0 H VAL A 77 15.498 9.665 0.907 1.00 0.30 H new ATOM 0 HA VAL A 77 15.624 11.717 2.839 1.00 0.34 H new ATOM 0 HB VAL A 77 17.525 10.650 0.749 1.00 0.39 H new ATOM 0 HG11 VAL A 77 19.320 12.063 1.706 1.00 0.59 H new ATOM 0 HG12 VAL A 77 18.042 13.034 0.935 1.00 0.59 H new ATOM 0 HG13 VAL A 77 18.110 12.899 2.708 1.00 0.59 H new ATOM 0 HG21 VAL A 77 18.816 9.929 2.742 1.00 0.42 H new ATOM 0 HG22 VAL A 77 17.575 10.655 3.791 1.00 0.42 H new ATOM 0 HG23 VAL A 77 17.160 9.276 2.746 1.00 0.42 H new ATOM 1101 N LYS A 78 15.789 12.661 -0.348 1.00 0.39 N ATOM 1102 CA LYS A 78 15.647 13.795 -1.257 1.00 0.45 C ATOM 1103 C LYS A 78 14.205 14.293 -1.288 1.00 0.48 C ATOM 1104 O LYS A 78 13.918 15.379 -1.786 1.00 0.59 O ATOM 1105 CB LYS A 78 16.094 13.397 -2.652 1.00 0.54 C ATOM 1106 CG LYS A 78 15.216 12.331 -3.256 1.00 0.76 C ATOM 1107 CD LYS A 78 15.792 11.795 -4.540 1.00 0.84 C ATOM 1108 CE LYS A 78 14.814 10.839 -5.179 1.00 1.08 C ATOM 1109 NZ LYS A 78 15.393 10.124 -6.343 1.00 1.20 N ATOM 0 H LYS A 78 16.001 11.777 -0.811 1.00 0.39 H new ATOM 0 HA LYS A 78 16.278 14.607 -0.896 1.00 0.45 H new ATOM 0 HB2 LYS A 78 16.089 14.276 -3.297 1.00 0.54 H new ATOM 0 HB3 LYS A 78 17.122 13.037 -2.612 1.00 0.54 H new ATOM 0 HG2 LYS A 78 15.093 11.515 -2.544 1.00 0.76 H new ATOM 0 HG3 LYS A 78 14.224 12.741 -3.446 1.00 0.76 H new ATOM 0 HD2 LYS A 78 16.010 12.617 -5.222 1.00 0.84 H new ATOM 0 HD3 LYS A 78 16.735 11.286 -4.342 1.00 0.84 H new ATOM 0 HE2 LYS A 78 14.485 10.111 -4.437 1.00 1.08 H new ATOM 0 HE3 LYS A 78 13.929 11.390 -5.499 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 14.626 9.754 -6.940 1.00 1.20 H new ATOM 0 HZ2 LYS A 78 15.978 10.781 -6.898 1.00 1.20 H new ATOM 0 HZ3 LYS A 78 15.982 9.335 -6.008 1.00 1.20 H new ATOM 1123 N SER A 79 13.301 13.476 -0.761 1.00 0.44 N ATOM 1124 CA SER A 79 11.910 13.873 -0.588 1.00 0.51 C ATOM 1125 C SER A 79 11.784 15.002 0.449 1.00 0.55 C ATOM 1126 O SER A 79 10.698 15.552 0.645 1.00 0.64 O ATOM 1127 CB SER A 79 11.076 12.668 -0.157 1.00 0.53 C ATOM 1128 OG SER A 79 9.695 12.916 -0.350 1.00 1.37 O ATOM 0 H SER A 79 13.509 12.529 -0.444 1.00 0.44 H new ATOM 0 HA SER A 79 11.538 14.246 -1.542 1.00 0.51 H new ATOM 0 HB2 SER A 79 11.376 11.790 -0.729 1.00 0.53 H new ATOM 0 HB3 SER A 79 11.267 12.445 0.893 1.00 0.53 H new ATOM 0 HG SER A 79 9.498 12.938 -1.310 1.00 1.37 H new ATOM 1134 N LYS A 80 12.902 15.312 1.113 1.00 0.54 N ATOM 1135 CA LYS A 80 13.006 16.450 2.031 1.00 0.61 C ATOM 1136 C LYS A 80 12.240 16.191 3.324 1.00 0.62 C ATOM 1137 O LYS A 80 11.178 16.766 3.566 1.00 0.75 O ATOM 1138 CB LYS A 80 12.536 17.743 1.358 1.00 0.70 C ATOM 1139 CG LYS A 80 13.327 18.091 0.103 1.00 1.01 C ATOM 1140 CD LYS A 80 12.747 19.298 -0.615 1.00 1.31 C ATOM 1141 CE LYS A 80 12.868 20.560 0.217 1.00 1.94 C ATOM 1142 NZ LYS A 80 12.335 21.742 -0.501 1.00 2.65 N ATOM 0 H LYS A 80 13.766 14.777 1.028 1.00 0.54 H new ATOM 0 HA LYS A 80 14.057 16.572 2.291 1.00 0.61 H new ATOM 0 HB2 LYS A 80 11.481 17.647 1.100 1.00 0.70 H new ATOM 0 HB3 LYS A 80 12.617 18.565 2.069 1.00 0.70 H new ATOM 0 HG2 LYS A 80 14.364 18.292 0.371 1.00 1.01 H new ATOM 0 HG3 LYS A 80 13.333 17.235 -0.572 1.00 1.01 H new ATOM 0 HD2 LYS A 80 13.263 19.438 -1.565 1.00 1.31 H new ATOM 0 HD3 LYS A 80 11.698 19.114 -0.846 1.00 1.31 H new ATOM 0 HE2 LYS A 80 12.329 20.430 1.155 1.00 1.94 H new ATOM 0 HE3 LYS A 80 13.914 20.730 0.471 1.00 1.94 H new ATOM 0 HZ1 LYS A 80 12.434 22.586 0.098 1.00 2.65 H new ATOM 0 HZ2 LYS A 80 12.866 21.880 -1.384 1.00 2.65 H new ATOM 0 HZ3 LYS A 80 11.330 21.590 -0.721 1.00 2.65 H new ATOM 1156 N LEU A 81 12.782 15.301 4.139 1.00 0.66 N ATOM 1157 CA LEU A 81 12.155 14.928 5.394 1.00 0.69 C ATOM 1158 C LEU A 81 13.167 14.965 6.532 1.00 0.73 C ATOM 1159 O LEU A 81 14.376 14.957 6.295 1.00 0.75 O ATOM 1160 CB LEU A 81 11.601 13.508 5.308 1.00 0.70 C ATOM 1161 CG LEU A 81 10.658 13.218 4.145 1.00 0.68 C ATOM 1162 CD1 LEU A 81 10.406 11.719 4.046 1.00 1.16 C ATOM 1163 CD2 LEU A 81 9.350 13.977 4.325 1.00 1.08 C ATOM 0 H LEU A 81 13.662 14.821 3.951 1.00 0.66 H new ATOM 0 HA LEU A 81 11.351 15.639 5.585 1.00 0.69 H new ATOM 0 HB2 LEU A 81 12.441 12.816 5.247 1.00 0.70 H new ATOM 0 HB3 LEU A 81 11.075 13.290 6.237 1.00 0.70 H new ATOM 0 HG LEU A 81 11.120 13.554 3.217 1.00 0.68 H new ATOM 0 HD11 LEU A 81 9.732 11.518 3.214 1.00 1.16 H new ATOM 0 HD12 LEU A 81 11.351 11.201 3.881 1.00 1.16 H new ATOM 0 HD13 LEU A 81 9.955 11.364 4.972 1.00 1.16 H new ATOM 0 HD21 LEU A 81 8.686 13.761 3.488 1.00 1.08 H new ATOM 0 HD22 LEU A 81 8.874 13.666 5.255 1.00 1.08 H new ATOM 0 HD23 LEU A 81 9.552 15.047 4.361 1.00 1.08 H new ATOM 1175 N PRO A 82 12.682 15.007 7.780 1.00 0.78 N ATOM 1176 CA PRO A 82 13.511 14.761 8.952 1.00 0.84 C ATOM 1177 C PRO A 82 13.779 13.267 9.125 1.00 0.75 C ATOM 1178 O PRO A 82 13.139 12.434 8.471 1.00 0.70 O ATOM 1179 CB PRO A 82 12.663 15.295 10.104 1.00 0.95 C ATOM 1180 CG PRO A 82 11.260 15.143 9.634 1.00 0.91 C ATOM 1181 CD PRO A 82 11.291 15.327 8.146 1.00 0.82 C ATOM 0 HA PRO A 82 14.490 15.235 8.887 1.00 0.84 H new ATOM 0 HB2 PRO A 82 12.838 14.731 11.020 1.00 0.95 H new ATOM 0 HB3 PRO A 82 12.899 16.337 10.321 1.00 0.95 H new ATOM 0 HG2 PRO A 82 10.867 14.161 9.896 1.00 0.91 H new ATOM 0 HG3 PRO A 82 10.611 15.882 10.103 1.00 0.91 H new ATOM 0 HD2 PRO A 82 10.584 14.665 7.646 1.00 0.82 H new ATOM 0 HD3 PRO A 82 11.028 16.346 7.864 1.00 0.82 H new ATOM 1189 N ASN A 83 14.697 12.929 10.014 1.00 0.79 N ATOM 1190 CA ASN A 83 15.105 11.540 10.203 1.00 0.72 C ATOM 1191 C ASN A 83 13.963 10.697 10.763 1.00 0.65 C ATOM 1192 O ASN A 83 13.849 9.510 10.455 1.00 0.61 O ATOM 1193 CB ASN A 83 16.317 11.452 11.134 1.00 0.82 C ATOM 1194 CG ASN A 83 17.564 12.106 10.560 1.00 1.10 C ATOM 1195 OD1 ASN A 83 18.412 12.605 11.303 1.00 1.53 O ATOM 1196 ND2 ASN A 83 17.697 12.107 9.239 1.00 1.16 N ATOM 0 H ASN A 83 15.177 13.595 10.619 1.00 0.79 H new ATOM 0 HA ASN A 83 15.378 11.145 9.225 1.00 0.72 H new ATOM 0 HB2 ASN A 83 16.072 11.925 12.085 1.00 0.82 H new ATOM 0 HB3 ASN A 83 16.529 10.404 11.345 1.00 0.82 H new ATOM 0 HD21 ASN A 83 18.520 12.529 8.810 1.00 1.16 H new ATOM 0 HD22 ASN A 83 16.976 11.685 8.654 1.00 1.16 H new ATOM 1203 N THR A 84 13.113 11.320 11.572 1.00 0.67 N ATOM 1204 CA THR A 84 11.998 10.621 12.194 1.00 0.67 C ATOM 1205 C THR A 84 11.016 10.111 11.136 1.00 0.58 C ATOM 1206 O THR A 84 10.659 8.929 11.115 1.00 0.53 O ATOM 1207 CB THR A 84 11.267 11.552 13.178 1.00 0.77 C ATOM 1208 OG1 THR A 84 12.231 12.278 13.958 1.00 1.11 O ATOM 1209 CG2 THR A 84 10.359 10.753 14.102 1.00 1.24 C ATOM 0 H THR A 84 13.176 12.309 11.812 1.00 0.67 H new ATOM 0 HA THR A 84 12.397 9.765 12.739 1.00 0.67 H new ATOM 0 HB THR A 84 10.654 12.250 12.608 1.00 0.77 H new ATOM 0 HG1 THR A 84 11.765 12.872 14.583 1.00 1.11 H new ATOM 0 HG21 THR A 84 9.852 11.431 14.789 1.00 1.24 H new ATOM 0 HG22 THR A 84 9.618 10.216 13.509 1.00 1.24 H new ATOM 0 HG23 THR A 84 10.955 10.039 14.670 1.00 1.24 H new ATOM 1217 N VAL A 85 10.606 11.008 10.241 1.00 0.59 N ATOM 1218 CA VAL A 85 9.673 10.659 9.172 1.00 0.55 C ATOM 1219 C VAL A 85 10.288 9.618 8.246 1.00 0.49 C ATOM 1220 O VAL A 85 9.614 8.687 7.827 1.00 0.45 O ATOM 1221 CB VAL A 85 9.249 11.900 8.349 1.00 0.60 C ATOM 1222 CG1 VAL A 85 8.298 11.514 7.226 1.00 0.56 C ATOM 1223 CG2 VAL A 85 8.603 12.937 9.250 1.00 0.72 C ATOM 0 H VAL A 85 10.906 11.983 10.235 1.00 0.59 H new ATOM 0 HA VAL A 85 8.782 10.245 9.645 1.00 0.55 H new ATOM 0 HB VAL A 85 10.146 12.330 7.902 1.00 0.60 H new ATOM 0 HG11 VAL A 85 8.017 12.405 6.665 1.00 0.56 H new ATOM 0 HG12 VAL A 85 8.790 10.806 6.560 1.00 0.56 H new ATOM 0 HG13 VAL A 85 7.404 11.054 7.648 1.00 0.56 H new ATOM 0 HG21 VAL A 85 8.311 13.803 8.656 1.00 0.72 H new ATOM 0 HG22 VAL A 85 7.721 12.508 9.725 1.00 0.72 H new ATOM 0 HG23 VAL A 85 9.313 13.246 10.017 1.00 0.72 H new ATOM 1233 N LEU A 86 11.570 9.770 7.954 1.00 0.50 N ATOM 1234 CA LEU A 86 12.286 8.815 7.113 1.00 0.50 C ATOM 1235 C LEU A 86 12.264 7.423 7.717 1.00 0.40 C ATOM 1236 O LEU A 86 11.975 6.440 7.031 1.00 0.38 O ATOM 1237 CB LEU A 86 13.733 9.238 6.944 1.00 0.62 C ATOM 1238 CG LEU A 86 14.128 9.617 5.528 1.00 0.72 C ATOM 1239 CD1 LEU A 86 14.190 11.126 5.379 1.00 1.45 C ATOM 1240 CD2 LEU A 86 15.452 8.974 5.189 1.00 1.34 C ATOM 0 H LEU A 86 12.140 10.547 8.287 1.00 0.50 H new ATOM 0 HA LEU A 86 11.783 8.797 6.146 1.00 0.50 H new ATOM 0 HB2 LEU A 86 13.927 10.087 7.599 1.00 0.62 H new ATOM 0 HB3 LEU A 86 14.376 8.424 7.279 1.00 0.62 H new ATOM 0 HG LEU A 86 13.375 9.252 4.829 1.00 0.72 H new ATOM 0 HD11 LEU A 86 14.475 11.379 4.358 1.00 1.45 H new ATOM 0 HD12 LEU A 86 13.212 11.554 5.600 1.00 1.45 H new ATOM 0 HD13 LEU A 86 14.928 11.530 6.072 1.00 1.45 H new ATOM 0 HD21 LEU A 86 15.738 9.244 4.173 1.00 1.34 H new ATOM 0 HD22 LEU A 86 16.215 9.322 5.886 1.00 1.34 H new ATOM 0 HD23 LEU A 86 15.360 7.890 5.264 1.00 1.34 H new ATOM 1252 N GLY A 87 12.602 7.350 8.996 1.00 0.39 N ATOM 1253 CA GLY A 87 12.645 6.082 9.683 1.00 0.39 C ATOM 1254 C GLY A 87 11.308 5.393 9.689 1.00 0.33 C ATOM 1255 O GLY A 87 11.228 4.174 9.534 1.00 0.37 O ATOM 0 H GLY A 87 12.849 8.155 9.572 1.00 0.39 H new ATOM 0 HA2 GLY A 87 13.382 5.437 9.205 1.00 0.39 H new ATOM 0 HA3 GLY A 87 12.976 6.238 10.710 1.00 0.39 H new ATOM 1259 N LYS A 88 10.247 6.171 9.829 1.00 0.34 N ATOM 1260 CA LYS A 88 8.921 5.587 9.943 1.00 0.37 C ATOM 1261 C LYS A 88 8.350 5.288 8.561 1.00 0.34 C ATOM 1262 O LYS A 88 7.573 4.355 8.404 1.00 0.41 O ATOM 1263 CB LYS A 88 7.985 6.479 10.769 1.00 0.49 C ATOM 1264 CG LYS A 88 7.511 7.731 10.049 1.00 0.65 C ATOM 1265 CD LYS A 88 6.591 8.589 10.919 1.00 0.98 C ATOM 1266 CE LYS A 88 5.509 7.769 11.605 1.00 1.52 C ATOM 1267 NZ LYS A 88 4.514 8.641 12.287 1.00 1.66 N ATOM 0 H LYS A 88 10.275 7.190 9.866 1.00 0.34 H new ATOM 0 HA LYS A 88 9.008 4.642 10.479 1.00 0.37 H new ATOM 0 HB2 LYS A 88 7.114 5.894 11.066 1.00 0.49 H new ATOM 0 HB3 LYS A 88 8.498 6.774 11.684 1.00 0.49 H new ATOM 0 HG2 LYS A 88 8.375 8.322 9.746 1.00 0.65 H new ATOM 0 HG3 LYS A 88 6.984 7.446 9.138 1.00 0.65 H new ATOM 0 HD2 LYS A 88 7.186 9.104 11.673 1.00 0.98 H new ATOM 0 HD3 LYS A 88 6.124 9.357 10.302 1.00 0.98 H new ATOM 0 HE2 LYS A 88 5.003 7.144 10.869 1.00 1.52 H new ATOM 0 HE3 LYS A 88 5.966 7.098 12.333 1.00 1.52 H new ATOM 0 HZ1 LYS A 88 4.201 8.187 13.169 1.00 1.66 H new ATOM 0 HZ2 LYS A 88 4.950 9.559 12.506 1.00 1.66 H new ATOM 0 HZ3 LYS A 88 3.695 8.787 11.663 1.00 1.66 H new ATOM 1281 N ILE A 89 8.750 6.070 7.561 1.00 0.30 N ATOM 1282 CA ILE A 89 8.446 5.749 6.169 1.00 0.31 C ATOM 1283 C ILE A 89 9.055 4.401 5.818 1.00 0.26 C ATOM 1284 O ILE A 89 8.387 3.523 5.271 1.00 0.28 O ATOM 1285 CB ILE A 89 8.990 6.828 5.195 1.00 0.37 C ATOM 1286 CG1 ILE A 89 8.132 8.095 5.250 1.00 0.71 C ATOM 1287 CG2 ILE A 89 9.048 6.298 3.767 1.00 0.56 C ATOM 1288 CD1 ILE A 89 6.740 7.909 4.692 1.00 1.15 C ATOM 0 H ILE A 89 9.285 6.929 7.688 1.00 0.30 H new ATOM 0 HA ILE A 89 7.362 5.717 6.062 1.00 0.31 H new ATOM 0 HB ILE A 89 10.002 7.078 5.512 1.00 0.37 H new ATOM 0 HG12 ILE A 89 8.058 8.428 6.285 1.00 0.71 H new ATOM 0 HG13 ILE A 89 8.634 8.888 4.695 1.00 0.71 H new ATOM 0 HG21 ILE A 89 9.433 7.075 3.106 1.00 0.56 H new ATOM 0 HG22 ILE A 89 9.706 5.430 3.728 1.00 0.56 H new ATOM 0 HG23 ILE A 89 8.047 6.010 3.445 1.00 0.56 H new ATOM 0 HD11 ILE A 89 6.191 8.848 4.764 1.00 1.15 H new ATOM 0 HD12 ILE A 89 6.804 7.606 3.647 1.00 1.15 H new ATOM 0 HD13 ILE A 89 6.219 7.139 5.262 1.00 1.15 H new ATOM 1300 N TRP A 90 10.326 4.238 6.174 1.00 0.24 N ATOM 1301 CA TRP A 90 11.044 2.998 5.916 1.00 0.22 C ATOM 1302 C TRP A 90 10.339 1.812 6.554 1.00 0.23 C ATOM 1303 O TRP A 90 10.008 0.838 5.885 1.00 0.25 O ATOM 1304 CB TRP A 90 12.469 3.080 6.457 1.00 0.22 C ATOM 1305 CG TRP A 90 13.254 1.833 6.195 1.00 0.23 C ATOM 1306 CD1 TRP A 90 13.599 0.867 7.101 1.00 0.30 C ATOM 1307 CD2 TRP A 90 13.760 1.403 4.931 1.00 0.21 C ATOM 1308 NE1 TRP A 90 14.300 -0.136 6.470 1.00 0.30 N ATOM 1309 CE2 TRP A 90 14.407 0.172 5.135 1.00 0.25 C ATOM 1310 CE3 TRP A 90 13.722 1.940 3.639 1.00 0.22 C ATOM 1311 CZ2 TRP A 90 15.026 -0.522 4.101 1.00 0.28 C ATOM 1312 CZ3 TRP A 90 14.336 1.246 2.616 1.00 0.28 C ATOM 1313 CH2 TRP A 90 14.973 0.023 2.851 1.00 0.30 C ATOM 0 H TRP A 90 10.880 4.954 6.644 1.00 0.24 H new ATOM 0 HA TRP A 90 11.071 2.856 4.836 1.00 0.22 H new ATOM 0 HB2 TRP A 90 12.979 3.929 6.001 1.00 0.22 H new ATOM 0 HB3 TRP A 90 12.437 3.266 7.530 1.00 0.22 H new ATOM 0 HD1 TRP A 90 13.358 0.888 8.153 1.00 0.30 H new ATOM 0 HE1 TRP A 90 14.678 -0.970 6.919 1.00 0.30 H new ATOM 0 HE3 TRP A 90 13.223 2.878 3.446 1.00 0.22 H new ATOM 0 HZ2 TRP A 90 15.531 -1.460 4.281 1.00 0.28 H new ATOM 0 HZ3 TRP A 90 14.324 1.655 1.616 1.00 0.28 H new ATOM 0 HH2 TRP A 90 15.432 -0.501 2.026 1.00 0.30 H new ATOM 1324 N LYS A 91 10.093 1.914 7.852 1.00 0.26 N ATOM 1325 CA LYS A 91 9.590 0.786 8.618 1.00 0.30 C ATOM 1326 C LYS A 91 8.097 0.566 8.394 1.00 0.31 C ATOM 1327 O LYS A 91 7.537 -0.425 8.858 1.00 0.42 O ATOM 1328 CB LYS A 91 9.900 0.985 10.102 1.00 0.40 C ATOM 1329 CG LYS A 91 9.091 2.079 10.781 1.00 1.08 C ATOM 1330 CD LYS A 91 9.498 2.226 12.237 1.00 1.26 C ATOM 1331 CE LYS A 91 10.942 2.689 12.363 1.00 2.03 C ATOM 1332 NZ LYS A 91 11.362 2.847 13.779 1.00 2.54 N ATOM 0 H LYS A 91 10.234 2.766 8.395 1.00 0.26 H new ATOM 0 HA LYS A 91 10.097 -0.113 8.268 1.00 0.30 H new ATOM 0 HB2 LYS A 91 9.724 0.045 10.625 1.00 0.40 H new ATOM 0 HB3 LYS A 91 10.960 1.216 10.210 1.00 0.40 H new ATOM 0 HG2 LYS A 91 9.240 3.025 10.260 1.00 1.08 H new ATOM 0 HG3 LYS A 91 8.028 1.844 10.718 1.00 1.08 H new ATOM 0 HD2 LYS A 91 8.840 2.941 12.730 1.00 1.26 H new ATOM 0 HD3 LYS A 91 9.374 1.272 12.750 1.00 1.26 H new ATOM 0 HE2 LYS A 91 11.596 1.970 11.870 1.00 2.03 H new ATOM 0 HE3 LYS A 91 11.063 3.639 11.842 1.00 2.03 H new ATOM 0 HZ1 LYS A 91 12.352 3.164 13.814 1.00 2.54 H new ATOM 0 HZ2 LYS A 91 10.756 3.553 14.244 1.00 2.54 H new ATOM 0 HZ3 LYS A 91 11.272 1.935 14.271 1.00 2.54 H new ATOM 1346 N LEU A 92 7.451 1.493 7.699 1.00 0.27 N ATOM 1347 CA LEU A 92 6.053 1.318 7.341 1.00 0.33 C ATOM 1348 C LEU A 92 5.944 0.686 5.955 1.00 0.34 C ATOM 1349 O LEU A 92 5.003 -0.049 5.673 1.00 0.47 O ATOM 1350 CB LEU A 92 5.313 2.658 7.375 1.00 0.37 C ATOM 1351 CG LEU A 92 3.784 2.568 7.379 1.00 0.49 C ATOM 1352 CD1 LEU A 92 3.288 1.960 8.680 1.00 0.86 C ATOM 1353 CD2 LEU A 92 3.170 3.940 7.166 1.00 0.61 C ATOM 0 H LEU A 92 7.869 2.365 7.375 1.00 0.27 H new ATOM 0 HA LEU A 92 5.589 0.654 8.070 1.00 0.33 H new ATOM 0 HB2 LEU A 92 5.629 3.205 8.263 1.00 0.37 H new ATOM 0 HB3 LEU A 92 5.623 3.246 6.511 1.00 0.37 H new ATOM 0 HG LEU A 92 3.476 1.921 6.558 1.00 0.49 H new ATOM 0 HD11 LEU A 92 2.200 1.904 8.664 1.00 0.86 H new ATOM 0 HD12 LEU A 92 3.701 0.958 8.794 1.00 0.86 H new ATOM 0 HD13 LEU A 92 3.607 2.581 9.517 1.00 0.86 H new ATOM 0 HD21 LEU A 92 2.083 3.857 7.172 1.00 0.61 H new ATOM 0 HD22 LEU A 92 3.487 4.609 7.966 1.00 0.61 H new ATOM 0 HD23 LEU A 92 3.498 4.341 6.207 1.00 0.61 H new ATOM 1365 N ALA A 93 6.921 0.978 5.096 1.00 0.30 N ATOM 1366 CA ALA A 93 6.950 0.411 3.757 1.00 0.37 C ATOM 1367 C ALA A 93 7.537 -0.993 3.773 1.00 0.37 C ATOM 1368 O ALA A 93 7.020 -1.901 3.121 1.00 0.45 O ATOM 1369 CB ALA A 93 7.756 1.301 2.825 1.00 0.43 C ATOM 0 H ALA A 93 7.699 1.603 5.307 1.00 0.30 H new ATOM 0 HA ALA A 93 5.924 0.351 3.393 1.00 0.37 H new ATOM 0 HB1 ALA A 93 7.769 0.864 1.826 1.00 0.43 H new ATOM 0 HB2 ALA A 93 7.301 2.290 2.783 1.00 0.43 H new ATOM 0 HB3 ALA A 93 8.777 1.387 3.197 1.00 0.43 H new ATOM 1375 N ASP A 94 8.612 -1.176 4.533 1.00 0.32 N ATOM 1376 CA ASP A 94 9.280 -2.469 4.601 1.00 0.38 C ATOM 1377 C ASP A 94 8.642 -3.337 5.673 1.00 0.45 C ATOM 1378 O ASP A 94 8.940 -3.205 6.862 1.00 0.49 O ATOM 1379 CB ASP A 94 10.775 -2.298 4.881 1.00 0.35 C ATOM 1380 CG ASP A 94 11.574 -3.573 4.673 1.00 0.47 C ATOM 1381 OD1 ASP A 94 10.982 -4.626 4.321 1.00 0.61 O ATOM 1382 OD2 ASP A 94 12.803 -3.537 4.863 1.00 0.62 O ATOM 0 H ASP A 94 9.037 -0.448 5.108 1.00 0.32 H new ATOM 0 HA ASP A 94 9.167 -2.960 3.635 1.00 0.38 H new ATOM 0 HB2 ASP A 94 11.173 -1.518 4.231 1.00 0.35 H new ATOM 0 HB3 ASP A 94 10.909 -1.957 5.908 1.00 0.35 H new ATOM 1387 N VAL A 95 7.750 -4.217 5.242 1.00 0.64 N ATOM 1388 CA VAL A 95 7.026 -5.095 6.156 1.00 0.79 C ATOM 1389 C VAL A 95 7.916 -6.191 6.701 1.00 0.74 C ATOM 1390 O VAL A 95 7.679 -6.714 7.794 1.00 0.88 O ATOM 1391 CB VAL A 95 5.789 -5.722 5.496 1.00 1.07 C ATOM 1392 CG1 VAL A 95 4.789 -4.652 5.107 1.00 1.76 C ATOM 1393 CG2 VAL A 95 6.191 -6.537 4.292 1.00 1.57 C ATOM 0 H VAL A 95 7.508 -4.344 4.259 1.00 0.64 H new ATOM 0 HA VAL A 95 6.695 -4.465 6.982 1.00 0.79 H new ATOM 0 HB VAL A 95 5.313 -6.385 6.218 1.00 1.07 H new ATOM 0 HG11 VAL A 95 3.921 -5.118 4.641 1.00 1.76 H new ATOM 0 HG12 VAL A 95 4.475 -4.107 5.997 1.00 1.76 H new ATOM 0 HG13 VAL A 95 5.251 -3.961 4.402 1.00 1.76 H new ATOM 0 HG21 VAL A 95 5.303 -6.975 3.836 1.00 1.57 H new ATOM 0 HG22 VAL A 95 6.692 -5.894 3.568 1.00 1.57 H new ATOM 0 HG23 VAL A 95 6.869 -7.332 4.601 1.00 1.57 H new ATOM 1403 N ASP A 96 8.943 -6.530 5.949 1.00 0.68 N ATOM 1404 CA ASP A 96 9.878 -7.552 6.373 1.00 0.73 C ATOM 1405 C ASP A 96 10.943 -6.926 7.252 1.00 0.60 C ATOM 1406 O ASP A 96 11.538 -7.590 8.102 1.00 0.68 O ATOM 1407 CB ASP A 96 10.595 -8.178 5.188 1.00 0.94 C ATOM 1408 CG ASP A 96 9.861 -8.057 3.869 1.00 1.04 C ATOM 1409 OD1 ASP A 96 8.801 -8.687 3.697 1.00 1.70 O ATOM 1410 OD2 ASP A 96 10.357 -7.302 2.996 1.00 1.40 O ATOM 0 H ASP A 96 9.151 -6.113 5.042 1.00 0.68 H new ATOM 0 HA ASP A 96 9.308 -8.314 6.904 1.00 0.73 H new ATOM 0 HB2 ASP A 96 11.575 -7.713 5.087 1.00 0.94 H new ATOM 0 HB3 ASP A 96 10.764 -9.234 5.399 1.00 0.94 H new ATOM 1415 N LYS A 97 11.160 -5.630 7.041 1.00 0.48 N ATOM 1416 CA LYS A 97 12.221 -4.892 7.709 1.00 0.46 C ATOM 1417 C LYS A 97 13.573 -5.534 7.432 1.00 0.46 C ATOM 1418 O LYS A 97 14.205 -6.120 8.313 1.00 0.70 O ATOM 1419 CB LYS A 97 11.939 -4.782 9.199 1.00 0.59 C ATOM 1420 CG LYS A 97 10.633 -4.072 9.465 1.00 0.67 C ATOM 1421 CD LYS A 97 10.366 -3.904 10.947 1.00 0.82 C ATOM 1422 CE LYS A 97 9.047 -3.184 11.189 1.00 1.34 C ATOM 1423 NZ LYS A 97 7.892 -3.913 10.591 1.00 1.74 N ATOM 0 H LYS A 97 10.603 -5.064 6.401 1.00 0.48 H new ATOM 0 HA LYS A 97 12.252 -3.879 7.308 1.00 0.46 H new ATOM 0 HB2 LYS A 97 11.908 -5.779 9.639 1.00 0.59 H new ATOM 0 HB3 LYS A 97 12.752 -4.244 9.685 1.00 0.59 H new ATOM 0 HG2 LYS A 97 10.650 -3.093 8.987 1.00 0.67 H new ATOM 0 HG3 LYS A 97 9.817 -4.634 9.012 1.00 0.67 H new ATOM 0 HD2 LYS A 97 10.344 -4.882 11.429 1.00 0.82 H new ATOM 0 HD3 LYS A 97 11.180 -3.342 11.405 1.00 0.82 H new ATOM 0 HE2 LYS A 97 8.888 -3.071 12.261 1.00 1.34 H new ATOM 0 HE3 LYS A 97 9.100 -2.180 10.767 1.00 1.34 H new ATOM 0 HZ1 LYS A 97 7.005 -3.540 10.985 1.00 1.74 H new ATOM 0 HZ2 LYS A 97 7.895 -3.782 9.559 1.00 1.74 H new ATOM 0 HZ3 LYS A 97 7.970 -4.926 10.811 1.00 1.74 H new ATOM 1437 N ASP A 98 13.997 -5.419 6.183 1.00 0.35 N ATOM 1438 CA ASP A 98 15.204 -6.068 5.709 1.00 0.43 C ATOM 1439 C ASP A 98 16.378 -5.112 5.759 1.00 0.39 C ATOM 1440 O ASP A 98 17.456 -5.448 6.251 1.00 0.63 O ATOM 1441 CB ASP A 98 15.047 -6.530 4.253 1.00 0.69 C ATOM 1442 CG ASP A 98 13.701 -7.145 3.932 1.00 0.72 C ATOM 1443 OD1 ASP A 98 13.536 -8.374 4.150 1.00 1.35 O ATOM 1444 OD2 ASP A 98 12.798 -6.409 3.502 1.00 1.51 O ATOM 0 H ASP A 98 13.512 -4.872 5.471 1.00 0.35 H new ATOM 0 HA ASP A 98 15.380 -6.926 6.358 1.00 0.43 H new ATOM 0 HB2 ASP A 98 15.209 -5.676 3.595 1.00 0.69 H new ATOM 0 HB3 ASP A 98 15.827 -7.257 4.030 1.00 0.69 H new ATOM 1449 N GLY A 99 16.140 -3.905 5.272 1.00 0.29 N ATOM 1450 CA GLY A 99 17.227 -3.018 4.917 1.00 0.29 C ATOM 1451 C GLY A 99 17.341 -2.940 3.415 1.00 0.24 C ATOM 1452 O GLY A 99 18.349 -2.497 2.865 1.00 0.27 O ATOM 0 H GLY A 99 15.208 -3.522 5.115 1.00 0.29 H new ATOM 0 HA2 GLY A 99 17.051 -2.025 5.331 1.00 0.29 H new ATOM 0 HA3 GLY A 99 18.161 -3.381 5.345 1.00 0.29 H new ATOM 1456 N LEU A 100 16.288 -3.422 2.767 1.00 0.23 N ATOM 1457 CA LEU A 100 16.144 -3.372 1.324 1.00 0.21 C ATOM 1458 C LEU A 100 14.657 -3.358 0.992 1.00 0.24 C ATOM 1459 O LEU A 100 13.832 -3.580 1.877 1.00 0.38 O ATOM 1460 CB LEU A 100 16.870 -4.559 0.662 1.00 0.27 C ATOM 1461 CG LEU A 100 16.541 -5.954 1.217 1.00 0.39 C ATOM 1462 CD1 LEU A 100 15.201 -6.455 0.700 1.00 0.41 C ATOM 1463 CD2 LEU A 100 17.645 -6.939 0.867 1.00 0.54 C ATOM 0 H LEU A 100 15.500 -3.865 3.240 1.00 0.23 H new ATOM 0 HA LEU A 100 16.605 -2.467 0.929 1.00 0.21 H new ATOM 0 HB2 LEU A 100 16.638 -4.551 -0.403 1.00 0.27 H new ATOM 0 HB3 LEU A 100 17.944 -4.398 0.755 1.00 0.27 H new ATOM 0 HG LEU A 100 16.472 -5.873 2.302 1.00 0.39 H new ATOM 0 HD11 LEU A 100 14.999 -7.444 1.112 1.00 0.41 H new ATOM 0 HD12 LEU A 100 14.413 -5.767 1.005 1.00 0.41 H new ATOM 0 HD13 LEU A 100 15.230 -6.514 -0.388 1.00 0.41 H new ATOM 0 HD21 LEU A 100 17.396 -7.922 1.267 1.00 0.54 H new ATOM 0 HD22 LEU A 100 17.745 -7.003 -0.216 1.00 0.54 H new ATOM 0 HD23 LEU A 100 18.586 -6.599 1.299 1.00 0.54 H new ATOM 1475 N LEU A 101 14.316 -3.131 -0.264 1.00 0.20 N ATOM 1476 CA LEU A 101 12.919 -2.983 -0.654 1.00 0.20 C ATOM 1477 C LEU A 101 12.701 -3.613 -2.020 1.00 0.17 C ATOM 1478 O LEU A 101 13.291 -3.177 -2.998 1.00 0.18 O ATOM 1479 CB LEU A 101 12.518 -1.501 -0.716 1.00 0.24 C ATOM 1480 CG LEU A 101 12.410 -0.770 0.625 1.00 0.26 C ATOM 1481 CD1 LEU A 101 11.941 0.657 0.416 1.00 0.68 C ATOM 1482 CD2 LEU A 101 11.448 -1.481 1.547 1.00 0.58 C ATOM 0 H LEU A 101 14.982 -3.045 -1.031 1.00 0.20 H new ATOM 0 HA LEU A 101 12.303 -3.482 0.094 1.00 0.20 H new ATOM 0 HB2 LEU A 101 13.246 -0.975 -1.334 1.00 0.24 H new ATOM 0 HB3 LEU A 101 11.556 -1.428 -1.224 1.00 0.24 H new ATOM 0 HG LEU A 101 13.400 -0.762 1.081 1.00 0.26 H new ATOM 0 HD11 LEU A 101 11.870 1.161 1.380 1.00 0.68 H new ATOM 0 HD12 LEU A 101 12.653 1.185 -0.218 1.00 0.68 H new ATOM 0 HD13 LEU A 101 10.962 0.652 -0.064 1.00 0.68 H new ATOM 0 HD21 LEU A 101 11.387 -0.944 2.494 1.00 0.58 H new ATOM 0 HD22 LEU A 101 10.461 -1.516 1.086 1.00 0.58 H new ATOM 0 HD23 LEU A 101 11.801 -2.496 1.728 1.00 0.58 H new ATOM 1494 N ASP A 102 11.871 -4.632 -2.098 1.00 0.16 N ATOM 1495 CA ASP A 102 11.615 -5.300 -3.373 1.00 0.17 C ATOM 1496 C ASP A 102 10.724 -4.437 -4.264 1.00 0.16 C ATOM 1497 O ASP A 102 10.425 -3.296 -3.918 1.00 0.16 O ATOM 1498 CB ASP A 102 11.004 -6.681 -3.146 1.00 0.25 C ATOM 1499 CG ASP A 102 9.684 -6.606 -2.414 1.00 0.77 C ATOM 1500 OD1 ASP A 102 8.647 -6.416 -3.073 1.00 1.50 O ATOM 1501 OD2 ASP A 102 9.691 -6.718 -1.171 1.00 1.40 O ATOM 0 H ASP A 102 11.361 -5.020 -1.304 1.00 0.16 H new ATOM 0 HA ASP A 102 12.566 -5.438 -3.887 1.00 0.17 H new ATOM 0 HB2 ASP A 102 10.858 -7.174 -4.107 1.00 0.25 H new ATOM 0 HB3 ASP A 102 11.700 -7.295 -2.575 1.00 0.25 H new ATOM 1506 N ASP A 103 10.315 -4.980 -5.410 1.00 0.18 N ATOM 1507 CA ASP A 103 9.520 -4.233 -6.396 1.00 0.19 C ATOM 1508 C ASP A 103 8.263 -3.670 -5.735 1.00 0.16 C ATOM 1509 O ASP A 103 7.840 -2.530 -5.986 1.00 0.17 O ATOM 1510 CB ASP A 103 9.060 -5.186 -7.515 1.00 0.28 C ATOM 1511 CG ASP A 103 10.068 -6.271 -7.869 1.00 0.97 C ATOM 1512 OD1 ASP A 103 10.311 -7.172 -7.038 1.00 1.73 O ATOM 1513 OD2 ASP A 103 10.664 -6.193 -8.967 1.00 1.65 O ATOM 0 H ASP A 103 10.521 -5.941 -5.684 1.00 0.18 H new ATOM 0 HA ASP A 103 10.137 -3.428 -6.796 1.00 0.19 H new ATOM 0 HB2 ASP A 103 8.126 -5.659 -7.212 1.00 0.28 H new ATOM 0 HB3 ASP A 103 8.845 -4.601 -8.409 1.00 0.28 H new ATOM 1518 N GLU A 104 7.723 -4.451 -4.819 1.00 0.18 N ATOM 1519 CA GLU A 104 6.459 -4.142 -4.191 1.00 0.23 C ATOM 1520 C GLU A 104 6.690 -3.266 -2.965 1.00 0.19 C ATOM 1521 O GLU A 104 5.821 -2.485 -2.564 1.00 0.22 O ATOM 1522 CB GLU A 104 5.770 -5.457 -3.825 1.00 0.33 C ATOM 1523 CG GLU A 104 4.288 -5.345 -3.532 1.00 0.65 C ATOM 1524 CD GLU A 104 3.656 -6.711 -3.342 1.00 1.28 C ATOM 1525 OE1 GLU A 104 3.746 -7.255 -2.227 1.00 1.68 O ATOM 1526 OE2 GLU A 104 3.092 -7.257 -4.314 1.00 2.14 O ATOM 0 H GLU A 104 8.151 -5.317 -4.491 1.00 0.18 H new ATOM 0 HA GLU A 104 5.816 -3.584 -4.871 1.00 0.23 H new ATOM 0 HB2 GLU A 104 5.911 -6.163 -4.643 1.00 0.33 H new ATOM 0 HB3 GLU A 104 6.267 -5.879 -2.951 1.00 0.33 H new ATOM 0 HG2 GLU A 104 4.137 -4.745 -2.635 1.00 0.65 H new ATOM 0 HG3 GLU A 104 3.792 -4.824 -4.351 1.00 0.65 H new ATOM 1533 N GLU A 105 7.884 -3.366 -2.394 1.00 0.18 N ATOM 1534 CA GLU A 105 8.222 -2.567 -1.229 1.00 0.17 C ATOM 1535 C GLU A 105 8.646 -1.160 -1.622 1.00 0.17 C ATOM 1536 O GLU A 105 8.396 -0.203 -0.889 1.00 0.22 O ATOM 1537 CB GLU A 105 9.286 -3.248 -0.376 1.00 0.19 C ATOM 1538 CG GLU A 105 8.733 -3.559 1.002 1.00 0.26 C ATOM 1539 CD GLU A 105 9.471 -4.628 1.771 1.00 0.40 C ATOM 1540 OE1 GLU A 105 10.685 -4.767 1.544 1.00 0.81 O ATOM 1541 OE2 GLU A 105 8.868 -5.358 2.587 1.00 1.11 O ATOM 0 H GLU A 105 8.626 -3.987 -2.717 1.00 0.18 H new ATOM 0 HA GLU A 105 7.321 -2.480 -0.622 1.00 0.17 H new ATOM 0 HB2 GLU A 105 9.616 -4.167 -0.859 1.00 0.19 H new ATOM 0 HB3 GLU A 105 10.160 -2.603 -0.288 1.00 0.19 H new ATOM 0 HG2 GLU A 105 8.738 -2.642 1.592 1.00 0.26 H new ATOM 0 HG3 GLU A 105 7.692 -3.865 0.896 1.00 0.26 H new ATOM 1548 N PHE A 106 9.274 -1.025 -2.781 1.00 0.16 N ATOM 1549 CA PHE A 106 9.513 0.290 -3.346 1.00 0.16 C ATOM 1550 C PHE A 106 8.154 0.905 -3.643 1.00 0.16 C ATOM 1551 O PHE A 106 7.913 2.075 -3.345 1.00 0.18 O ATOM 1552 CB PHE A 106 10.356 0.203 -4.627 1.00 0.19 C ATOM 1553 CG PHE A 106 10.830 1.539 -5.186 1.00 0.21 C ATOM 1554 CD1 PHE A 106 10.081 2.682 -4.987 1.00 1.04 C ATOM 1555 CD2 PHE A 106 12.015 1.658 -5.902 1.00 1.04 C ATOM 1556 CE1 PHE A 106 10.490 3.899 -5.484 1.00 1.07 C ATOM 1557 CE2 PHE A 106 12.428 2.877 -6.404 1.00 1.04 C ATOM 1558 CZ PHE A 106 11.729 3.960 -6.227 1.00 0.28 C ATOM 0 H PHE A 106 9.623 -1.802 -3.342 1.00 0.16 H new ATOM 0 HA PHE A 106 10.074 0.905 -2.642 1.00 0.16 H new ATOM 0 HB2 PHE A 106 11.229 -0.419 -4.427 1.00 0.19 H new ATOM 0 HB3 PHE A 106 9.771 -0.306 -5.393 1.00 0.19 H new ATOM 0 HD1 PHE A 106 9.157 2.620 -4.431 1.00 1.04 H new ATOM 0 HD2 PHE A 106 12.624 0.782 -6.069 1.00 1.04 H new ATOM 0 HE1 PHE A 106 9.899 4.788 -5.323 1.00 1.07 H new ATOM 0 HE2 PHE A 106 13.354 2.932 -6.957 1.00 1.04 H new ATOM 0 HZ PHE A 106 12.073 4.900 -6.633 1.00 0.28 H new ATOM 1568 N ALA A 107 7.262 0.088 -4.202 1.00 0.16 N ATOM 1569 CA ALA A 107 5.899 0.522 -4.461 1.00 0.16 C ATOM 1570 C ALA A 107 5.293 1.182 -3.221 1.00 0.16 C ATOM 1571 O ALA A 107 4.775 2.299 -3.293 1.00 0.18 O ATOM 1572 CB ALA A 107 5.053 -0.650 -4.927 1.00 0.19 C ATOM 0 H ALA A 107 7.462 -0.872 -4.481 1.00 0.16 H new ATOM 0 HA ALA A 107 5.917 1.267 -5.256 1.00 0.16 H new ATOM 0 HB1 ALA A 107 4.035 -0.311 -5.117 1.00 0.19 H new ATOM 0 HB2 ALA A 107 5.475 -1.062 -5.843 1.00 0.19 H new ATOM 0 HB3 ALA A 107 5.041 -1.420 -4.155 1.00 0.19 H new ATOM 1578 N LEU A 108 5.392 0.511 -2.077 1.00 0.18 N ATOM 1579 CA LEU A 108 4.865 1.060 -0.830 1.00 0.22 C ATOM 1580 C LEU A 108 5.651 2.309 -0.410 1.00 0.19 C ATOM 1581 O LEU A 108 5.057 3.339 -0.097 1.00 0.20 O ATOM 1582 CB LEU A 108 4.904 0.002 0.282 1.00 0.34 C ATOM 1583 CG LEU A 108 3.763 0.082 1.309 1.00 0.52 C ATOM 1584 CD1 LEU A 108 3.846 -1.062 2.289 1.00 1.22 C ATOM 1585 CD2 LEU A 108 3.779 1.393 2.063 1.00 1.23 C ATOM 0 H LEU A 108 5.828 -0.406 -1.987 1.00 0.18 H new ATOM 0 HA LEU A 108 3.828 1.350 -0.997 1.00 0.22 H new ATOM 0 HB2 LEU A 108 4.887 -0.986 -0.179 1.00 0.34 H new ATOM 0 HB3 LEU A 108 5.853 0.090 0.811 1.00 0.34 H new ATOM 0 HG LEU A 108 2.828 0.017 0.753 1.00 0.52 H new ATOM 0 HD11 LEU A 108 3.029 -0.986 3.007 1.00 1.22 H new ATOM 0 HD12 LEU A 108 3.770 -2.007 1.752 1.00 1.22 H new ATOM 0 HD13 LEU A 108 4.798 -1.020 2.817 1.00 1.22 H new ATOM 0 HD21 LEU A 108 2.957 1.411 2.779 1.00 1.23 H new ATOM 0 HD22 LEU A 108 4.725 1.496 2.594 1.00 1.23 H new ATOM 0 HD23 LEU A 108 3.666 2.218 1.360 1.00 1.23 H new ATOM 1597 N ALA A 109 6.978 2.215 -0.432 1.00 0.19 N ATOM 1598 CA ALA A 109 7.849 3.308 0.008 1.00 0.19 C ATOM 1599 C ALA A 109 7.520 4.616 -0.699 1.00 0.19 C ATOM 1600 O ALA A 109 7.242 5.633 -0.056 1.00 0.20 O ATOM 1601 CB ALA A 109 9.303 2.946 -0.237 1.00 0.22 C ATOM 0 H ALA A 109 7.480 1.387 -0.752 1.00 0.19 H new ATOM 0 HA ALA A 109 7.679 3.453 1.075 1.00 0.19 H new ATOM 0 HB1 ALA A 109 9.942 3.765 0.093 1.00 0.22 H new ATOM 0 HB2 ALA A 109 9.552 2.043 0.321 1.00 0.22 H new ATOM 0 HB3 ALA A 109 9.460 2.770 -1.301 1.00 0.22 H new ATOM 1607 N ASN A 110 7.526 4.578 -2.024 1.00 0.19 N ATOM 1608 CA ASN A 110 7.334 5.775 -2.818 1.00 0.19 C ATOM 1609 C ASN A 110 5.890 6.235 -2.705 1.00 0.20 C ATOM 1610 O ASN A 110 5.594 7.429 -2.760 1.00 0.23 O ATOM 1611 CB ASN A 110 7.685 5.504 -4.275 1.00 0.21 C ATOM 1612 CG ASN A 110 7.950 6.783 -5.054 1.00 0.29 C ATOM 1613 OD1 ASN A 110 7.035 7.408 -5.581 1.00 1.18 O ATOM 1614 ND2 ASN A 110 9.214 7.165 -5.144 1.00 1.11 N ATOM 0 H ASN A 110 7.662 3.727 -2.569 1.00 0.19 H new ATOM 0 HA ASN A 110 7.991 6.560 -2.444 1.00 0.19 H new ATOM 0 HB2 ASN A 110 8.566 4.864 -4.321 1.00 0.21 H new ATOM 0 HB3 ASN A 110 6.869 4.957 -4.747 1.00 0.21 H new ATOM 0 HD21 ASN A 110 9.456 8.007 -5.666 1.00 1.11 H new ATOM 0 HD22 ASN A 110 9.946 6.617 -4.691 1.00 1.11 H new ATOM 1621 N HIS A 111 4.990 5.270 -2.518 1.00 0.23 N ATOM 1622 CA HIS A 111 3.577 5.572 -2.377 1.00 0.25 C ATOM 1623 C HIS A 111 3.334 6.313 -1.072 1.00 0.24 C ATOM 1624 O HIS A 111 2.504 7.206 -1.006 1.00 0.26 O ATOM 1625 CB HIS A 111 2.735 4.295 -2.428 1.00 0.30 C ATOM 1626 CG HIS A 111 1.270 4.549 -2.580 1.00 0.32 C ATOM 1627 ND1 HIS A 111 0.697 4.940 -3.768 1.00 0.41 N ATOM 1628 CD2 HIS A 111 0.257 4.459 -1.688 1.00 0.39 C ATOM 1629 CE1 HIS A 111 -0.603 5.084 -3.605 1.00 0.49 C ATOM 1630 NE2 HIS A 111 -0.902 4.801 -2.345 1.00 0.47 N ATOM 0 H HIS A 111 5.219 4.278 -2.462 1.00 0.23 H new ATOM 0 HA HIS A 111 3.276 6.207 -3.210 1.00 0.25 H new ATOM 0 HB2 HIS A 111 3.076 3.678 -3.259 1.00 0.30 H new ATOM 0 HB3 HIS A 111 2.903 3.722 -1.516 1.00 0.30 H new ATOM 0 HD1 HIS A 111 1.201 5.095 -4.641 1.00 0.41 H new ATOM 0 HD2 HIS A 111 0.343 4.171 -0.651 1.00 0.39 H new ATOM 0 HE1 HIS A 111 -1.306 5.382 -4.369 1.00 0.49 H new ATOM 1639 N LEU A 112 4.063 5.934 -0.035 1.00 0.25 N ATOM 1640 CA LEU A 112 3.998 6.636 1.236 1.00 0.28 C ATOM 1641 C LEU A 112 4.588 8.033 1.102 1.00 0.25 C ATOM 1642 O LEU A 112 4.138 8.976 1.749 1.00 0.27 O ATOM 1643 CB LEU A 112 4.743 5.862 2.322 1.00 0.35 C ATOM 1644 CG LEU A 112 3.974 4.707 2.957 1.00 0.44 C ATOM 1645 CD1 LEU A 112 4.837 4.022 4.003 1.00 0.55 C ATOM 1646 CD2 LEU A 112 2.682 5.208 3.580 1.00 0.54 C ATOM 0 H LEU A 112 4.707 5.143 -0.049 1.00 0.25 H new ATOM 0 HA LEU A 112 2.950 6.718 1.523 1.00 0.28 H new ATOM 0 HB2 LEU A 112 5.665 5.469 1.894 1.00 0.35 H new ATOM 0 HB3 LEU A 112 5.029 6.560 3.109 1.00 0.35 H new ATOM 0 HG LEU A 112 3.722 3.984 2.181 1.00 0.44 H new ATOM 0 HD11 LEU A 112 4.281 3.199 4.451 1.00 0.55 H new ATOM 0 HD12 LEU A 112 5.741 3.635 3.532 1.00 0.55 H new ATOM 0 HD13 LEU A 112 5.109 4.740 4.777 1.00 0.55 H new ATOM 0 HD21 LEU A 112 2.146 4.371 4.028 1.00 0.54 H new ATOM 0 HD22 LEU A 112 2.911 5.946 4.349 1.00 0.54 H new ATOM 0 HD23 LEU A 112 2.061 5.666 2.810 1.00 0.54 H new ATOM 1658 N ILE A 113 5.599 8.152 0.247 1.00 0.26 N ATOM 1659 CA ILE A 113 6.219 9.436 -0.041 1.00 0.26 C ATOM 1660 C ILE A 113 5.213 10.398 -0.667 1.00 0.26 C ATOM 1661 O ILE A 113 5.125 11.564 -0.267 1.00 0.32 O ATOM 1662 CB ILE A 113 7.441 9.261 -0.962 1.00 0.27 C ATOM 1663 CG1 ILE A 113 8.566 8.582 -0.186 1.00 0.28 C ATOM 1664 CG2 ILE A 113 7.912 10.597 -1.515 1.00 0.33 C ATOM 1665 CD1 ILE A 113 9.761 8.212 -1.035 1.00 0.81 C ATOM 0 H ILE A 113 6.007 7.367 -0.261 1.00 0.26 H new ATOM 0 HA ILE A 113 6.559 9.862 0.903 1.00 0.26 H new ATOM 0 HB ILE A 113 7.152 8.638 -1.808 1.00 0.27 H new ATOM 0 HG12 ILE A 113 8.893 9.245 0.615 1.00 0.28 H new ATOM 0 HG13 ILE A 113 8.175 7.681 0.286 1.00 0.28 H new ATOM 0 HG21 ILE A 113 8.776 10.439 -2.161 1.00 0.33 H new ATOM 0 HG22 ILE A 113 7.108 11.057 -2.090 1.00 0.33 H new ATOM 0 HG23 ILE A 113 8.190 11.254 -0.691 1.00 0.33 H new ATOM 0 HD11 ILE A 113 10.517 7.734 -0.411 1.00 0.81 H new ATOM 0 HD12 ILE A 113 9.450 7.523 -1.820 1.00 0.81 H new ATOM 0 HD13 ILE A 113 10.179 9.112 -1.487 1.00 0.81 H new ATOM 1677 N LYS A 114 4.453 9.914 -1.638 1.00 0.25 N ATOM 1678 CA LYS A 114 3.404 10.740 -2.234 1.00 0.31 C ATOM 1679 C LYS A 114 2.213 10.885 -1.280 1.00 0.32 C ATOM 1680 O LYS A 114 1.500 11.884 -1.324 1.00 0.41 O ATOM 1681 CB LYS A 114 2.952 10.196 -3.597 1.00 0.45 C ATOM 1682 CG LYS A 114 2.291 8.830 -3.540 1.00 0.86 C ATOM 1683 CD LYS A 114 1.834 8.375 -4.914 1.00 1.30 C ATOM 1684 CE LYS A 114 0.624 9.155 -5.398 1.00 1.59 C ATOM 1685 NZ LYS A 114 0.257 8.783 -6.793 1.00 2.22 N ATOM 0 H LYS A 114 4.536 8.974 -2.026 1.00 0.25 H new ATOM 0 HA LYS A 114 3.829 11.729 -2.405 1.00 0.31 H new ATOM 0 HB2 LYS A 114 2.255 10.905 -4.044 1.00 0.45 H new ATOM 0 HB3 LYS A 114 3.817 10.140 -4.257 1.00 0.45 H new ATOM 0 HG2 LYS A 114 2.991 8.103 -3.129 1.00 0.86 H new ATOM 0 HG3 LYS A 114 1.436 8.866 -2.865 1.00 0.86 H new ATOM 0 HD2 LYS A 114 2.651 8.494 -5.626 1.00 1.30 H new ATOM 0 HD3 LYS A 114 1.592 7.313 -4.882 1.00 1.30 H new ATOM 0 HE2 LYS A 114 -0.221 8.966 -4.736 1.00 1.59 H new ATOM 0 HE3 LYS A 114 0.835 10.223 -5.349 1.00 1.59 H new ATOM 0 HZ1 LYS A 114 -0.656 9.216 -7.039 1.00 2.22 H new ATOM 0 HZ2 LYS A 114 0.990 9.124 -7.447 1.00 2.22 H new ATOM 0 HZ3 LYS A 114 0.181 7.748 -6.868 1.00 2.22 H new ATOM 1699 N VAL A 115 2.020 9.900 -0.403 1.00 0.30 N ATOM 1700 CA VAL A 115 0.965 9.961 0.611 1.00 0.35 C ATOM 1701 C VAL A 115 1.196 11.129 1.570 1.00 0.35 C ATOM 1702 O VAL A 115 0.281 11.904 1.850 1.00 0.42 O ATOM 1703 CB VAL A 115 0.851 8.627 1.400 1.00 0.41 C ATOM 1704 CG1 VAL A 115 0.219 8.832 2.767 1.00 0.49 C ATOM 1705 CG2 VAL A 115 0.035 7.615 0.611 1.00 0.47 C ATOM 0 H VAL A 115 2.581 9.049 -0.374 1.00 0.30 H new ATOM 0 HA VAL A 115 0.022 10.122 0.088 1.00 0.35 H new ATOM 0 HB VAL A 115 1.863 8.250 1.546 1.00 0.41 H new ATOM 0 HG11 VAL A 115 0.157 7.876 3.286 1.00 0.49 H new ATOM 0 HG12 VAL A 115 0.828 9.523 3.350 1.00 0.49 H new ATOM 0 HG13 VAL A 115 -0.783 9.245 2.647 1.00 0.49 H new ATOM 0 HG21 VAL A 115 -0.036 6.686 1.176 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -0.965 8.011 0.436 1.00 0.47 H new ATOM 0 HG23 VAL A 115 0.521 7.422 -0.345 1.00 0.47 H new ATOM 1715 N LYS A 116 2.422 11.264 2.064 1.00 0.35 N ATOM 1716 CA LYS A 116 2.756 12.383 2.935 1.00 0.45 C ATOM 1717 C LYS A 116 2.823 13.673 2.128 1.00 0.48 C ATOM 1718 O LYS A 116 2.674 14.769 2.668 1.00 0.63 O ATOM 1719 CB LYS A 116 4.081 12.147 3.650 1.00 0.59 C ATOM 1720 CG LYS A 116 5.208 11.866 2.691 1.00 0.77 C ATOM 1721 CD LYS A 116 6.554 11.816 3.368 1.00 0.79 C ATOM 1722 CE LYS A 116 7.631 11.617 2.328 1.00 1.68 C ATOM 1723 NZ LYS A 116 7.632 12.714 1.319 1.00 1.91 N ATOM 0 H LYS A 116 3.192 10.621 1.879 1.00 0.35 H new ATOM 0 HA LYS A 116 1.973 12.470 3.689 1.00 0.45 H new ATOM 0 HB2 LYS A 116 4.328 13.023 4.250 1.00 0.59 H new ATOM 0 HB3 LYS A 116 3.975 11.308 4.338 1.00 0.59 H new ATOM 0 HG2 LYS A 116 5.023 10.916 2.189 1.00 0.77 H new ATOM 0 HG3 LYS A 116 5.223 12.636 1.920 1.00 0.77 H new ATOM 0 HD2 LYS A 116 6.731 12.740 3.919 1.00 0.79 H new ATOM 0 HD3 LYS A 116 6.579 11.003 4.093 1.00 0.79 H new ATOM 0 HE2 LYS A 116 8.604 11.571 2.816 1.00 1.68 H new ATOM 0 HE3 LYS A 116 7.480 10.661 1.826 1.00 1.68 H new ATOM 0 HZ1 LYS A 116 8.584 12.810 0.911 1.00 1.91 H new ATOM 0 HZ2 LYS A 116 6.952 12.492 0.564 1.00 1.91 H new ATOM 0 HZ3 LYS A 116 7.360 13.607 1.777 1.00 1.91 H new ATOM 1737 N LEU A 117 3.041 13.533 0.825 1.00 0.43 N ATOM 1738 CA LEU A 117 3.083 14.679 -0.069 1.00 0.53 C ATOM 1739 C LEU A 117 1.683 15.260 -0.229 1.00 0.60 C ATOM 1740 O LEU A 117 1.520 16.435 -0.563 1.00 0.73 O ATOM 1741 CB LEU A 117 3.659 14.269 -1.427 1.00 0.54 C ATOM 1742 CG LEU A 117 4.032 15.423 -2.360 1.00 0.68 C ATOM 1743 CD1 LEU A 117 5.175 16.239 -1.770 1.00 1.28 C ATOM 1744 CD2 LEU A 117 4.414 14.890 -3.730 1.00 1.17 C ATOM 0 H LEU A 117 3.191 12.635 0.366 1.00 0.43 H new ATOM 0 HA LEU A 117 3.731 15.444 0.359 1.00 0.53 H new ATOM 0 HB2 LEU A 117 4.547 13.661 -1.257 1.00 0.54 H new ATOM 0 HB3 LEU A 117 2.932 13.635 -1.934 1.00 0.54 H new ATOM 0 HG LEU A 117 3.165 16.074 -2.469 1.00 0.68 H new ATOM 0 HD11 LEU A 117 5.427 17.055 -2.447 1.00 1.28 H new ATOM 0 HD12 LEU A 117 4.871 16.648 -0.806 1.00 1.28 H new ATOM 0 HD13 LEU A 117 6.047 15.599 -1.634 1.00 1.28 H new ATOM 0 HD21 LEU A 117 4.677 15.722 -4.384 1.00 1.17 H new ATOM 0 HD22 LEU A 117 5.268 14.219 -3.634 1.00 1.17 H new ATOM 0 HD23 LEU A 117 3.571 14.346 -4.157 1.00 1.17 H new ATOM 1756 N GLU A 118 0.671 14.431 0.036 1.00 0.57 N ATOM 1757 CA GLU A 118 -0.715 14.888 0.059 1.00 0.70 C ATOM 1758 C GLU A 118 -0.949 15.821 1.245 1.00 0.79 C ATOM 1759 O GLU A 118 -1.983 16.480 1.343 1.00 0.95 O ATOM 1760 CB GLU A 118 -1.678 13.696 0.135 1.00 0.75 C ATOM 1761 CG GLU A 118 -1.553 12.738 -1.038 1.00 0.78 C ATOM 1762 CD GLU A 118 -2.606 11.646 -1.023 1.00 1.27 C ATOM 1763 OE1 GLU A 118 -2.417 10.651 -0.288 1.00 1.99 O ATOM 1764 OE2 GLU A 118 -3.619 11.767 -1.744 1.00 1.78 O ATOM 0 H GLU A 118 0.789 13.438 0.238 1.00 0.57 H new ATOM 0 HA GLU A 118 -0.907 15.434 -0.865 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -1.495 13.150 1.060 1.00 0.75 H new ATOM 0 HB3 GLU A 118 -2.701 14.069 0.182 1.00 0.75 H new ATOM 0 HG2 GLU A 118 -1.632 13.299 -1.969 1.00 0.78 H new ATOM 0 HG3 GLU A 118 -0.563 12.282 -1.024 1.00 0.78 H new ATOM 1771 N GLY A 119 0.016 15.858 2.157 1.00 0.75 N ATOM 1772 CA GLY A 119 -0.082 16.729 3.305 1.00 0.86 C ATOM 1773 C GLY A 119 -0.511 15.971 4.531 1.00 0.87 C ATOM 1774 O GLY A 119 -0.403 16.464 5.650 1.00 1.01 O ATOM 0 H GLY A 119 0.867 15.296 2.118 1.00 0.75 H new ATOM 0 HA2 GLY A 119 0.882 17.204 3.487 1.00 0.86 H new ATOM 0 HA3 GLY A 119 -0.796 17.526 3.099 1.00 0.86 H new ATOM 1778 N HIS A 120 -0.988 14.763 4.315 1.00 0.80 N ATOM 1779 CA HIS A 120 -1.433 13.918 5.401 1.00 0.84 C ATOM 1780 C HIS A 120 -0.292 12.995 5.829 1.00 0.81 C ATOM 1781 O HIS A 120 0.297 12.287 5.013 1.00 0.84 O ATOM 1782 CB HIS A 120 -2.711 13.163 4.980 1.00 0.86 C ATOM 1783 CG HIS A 120 -2.627 11.668 4.993 1.00 0.77 C ATOM 1784 ND1 HIS A 120 -2.774 10.922 6.139 1.00 0.76 N ATOM 1785 CD2 HIS A 120 -2.421 10.784 3.988 1.00 0.81 C ATOM 1786 CE1 HIS A 120 -2.661 9.643 5.846 1.00 0.83 C ATOM 1787 NE2 HIS A 120 -2.448 9.526 4.546 1.00 0.87 N ATOM 0 H HIS A 120 -1.077 14.343 3.390 1.00 0.80 H new ATOM 0 HA HIS A 120 -1.698 14.515 6.274 1.00 0.84 H new ATOM 0 HB2 HIS A 120 -3.523 13.467 5.641 1.00 0.86 H new ATOM 0 HB3 HIS A 120 -2.983 13.483 3.974 1.00 0.86 H new ATOM 0 HD1 HIS A 120 -2.944 11.300 7.071 1.00 0.76 H new ATOM 0 HD2 HIS A 120 -2.265 11.021 2.946 1.00 0.81 H new ATOM 0 HE1 HIS A 120 -2.731 8.826 6.549 1.00 0.83 H new ATOM 1796 N GLU A 121 0.021 13.038 7.109 1.00 0.93 N ATOM 1797 CA GLU A 121 1.163 12.314 7.649 1.00 1.01 C ATOM 1798 C GLU A 121 0.851 10.841 7.891 1.00 0.79 C ATOM 1799 O GLU A 121 -0.250 10.473 8.307 1.00 0.71 O ATOM 1800 CB GLU A 121 1.660 12.979 8.938 1.00 1.31 C ATOM 1801 CG GLU A 121 0.617 13.075 10.037 1.00 1.55 C ATOM 1802 CD GLU A 121 1.069 13.956 11.181 1.00 2.15 C ATOM 1803 OE1 GLU A 121 1.080 15.196 11.015 1.00 2.52 O ATOM 1804 OE2 GLU A 121 1.408 13.423 12.254 1.00 2.75 O ATOM 0 H GLU A 121 -0.503 13.571 7.803 1.00 0.93 H new ATOM 0 HA GLU A 121 1.954 12.356 6.901 1.00 1.01 H new ATOM 0 HB2 GLU A 121 2.516 12.419 9.314 1.00 1.31 H new ATOM 0 HB3 GLU A 121 2.014 13.982 8.701 1.00 1.31 H new ATOM 0 HG2 GLU A 121 -0.310 13.470 9.622 1.00 1.55 H new ATOM 0 HG3 GLU A 121 0.397 12.076 10.415 1.00 1.55 H new ATOM 1811 N LEU A 122 1.834 10.008 7.594 1.00 0.92 N ATOM 1812 CA LEU A 122 1.750 8.571 7.833 1.00 0.87 C ATOM 1813 C LEU A 122 1.631 8.272 9.326 1.00 0.82 C ATOM 1814 O LEU A 122 2.426 8.755 10.137 1.00 0.95 O ATOM 1815 CB LEU A 122 2.948 7.805 7.220 1.00 1.18 C ATOM 1816 CG LEU A 122 4.250 8.588 6.949 1.00 1.80 C ATOM 1817 CD1 LEU A 122 4.072 9.577 5.810 1.00 2.45 C ATOM 1818 CD2 LEU A 122 4.762 9.292 8.201 1.00 2.70 C ATOM 0 H LEU A 122 2.717 10.307 7.179 1.00 0.92 H new ATOM 0 HA LEU A 122 0.848 8.219 7.333 1.00 0.87 H new ATOM 0 HB2 LEU A 122 3.190 6.976 7.886 1.00 1.18 H new ATOM 0 HB3 LEU A 122 2.618 7.370 6.277 1.00 1.18 H new ATOM 0 HG LEU A 122 5.003 7.858 6.652 1.00 1.80 H new ATOM 0 HD11 LEU A 122 5.007 10.113 5.644 1.00 2.45 H new ATOM 0 HD12 LEU A 122 3.795 9.041 4.902 1.00 2.45 H new ATOM 0 HD13 LEU A 122 3.287 10.288 6.065 1.00 2.45 H new ATOM 0 HD21 LEU A 122 5.680 9.831 7.966 1.00 2.70 H new ATOM 0 HD22 LEU A 122 4.009 9.995 8.557 1.00 2.70 H new ATOM 0 HD23 LEU A 122 4.964 8.554 8.977 1.00 2.70 H new ATOM 1830 N PRO A 123 0.652 7.443 9.703 1.00 0.77 N ATOM 1831 CA PRO A 123 0.286 7.224 11.103 1.00 0.88 C ATOM 1832 C PRO A 123 1.080 6.121 11.790 1.00 0.92 C ATOM 1833 O PRO A 123 0.836 5.824 12.957 1.00 1.10 O ATOM 1834 CB PRO A 123 -1.163 6.785 10.957 1.00 1.00 C ATOM 1835 CG PRO A 123 -1.117 5.918 9.746 1.00 0.95 C ATOM 1836 CD PRO A 123 -0.204 6.644 8.792 1.00 0.79 C ATOM 0 HA PRO A 123 0.471 8.105 11.717 1.00 0.88 H new ATOM 0 HB2 PRO A 123 -1.512 6.239 11.834 1.00 1.00 H new ATOM 0 HB3 PRO A 123 -1.833 7.634 10.823 1.00 1.00 H new ATOM 0 HG2 PRO A 123 -0.734 4.926 9.983 1.00 0.95 H new ATOM 0 HG3 PRO A 123 -2.110 5.782 9.318 1.00 0.95 H new ATOM 0 HD2 PRO A 123 0.383 5.952 8.188 1.00 0.79 H new ATOM 0 HD3 PRO A 123 -0.761 7.277 8.101 1.00 0.79 H new ATOM 1844 N ALA A 124 2.012 5.516 11.055 1.00 0.89 N ATOM 1845 CA ALA A 124 2.707 4.306 11.503 1.00 1.09 C ATOM 1846 C ALA A 124 1.717 3.145 11.595 1.00 1.10 C ATOM 1847 O ALA A 124 1.977 2.120 12.229 1.00 1.27 O ATOM 1848 CB ALA A 124 3.430 4.523 12.831 1.00 1.34 C ATOM 0 H ALA A 124 2.307 5.847 10.136 1.00 0.89 H new ATOM 0 HA ALA A 124 3.472 4.060 10.767 1.00 1.09 H new ATOM 0 HB1 ALA A 124 3.932 3.602 13.127 1.00 1.34 H new ATOM 0 HB2 ALA A 124 4.167 5.318 12.718 1.00 1.34 H new ATOM 0 HB3 ALA A 124 2.707 4.805 13.597 1.00 1.34 H new ATOM 1854 N ASP A 125 0.591 3.320 10.914 1.00 1.00 N ATOM 1855 CA ASP A 125 -0.425 2.287 10.799 1.00 1.03 C ATOM 1856 C ASP A 125 -0.358 1.699 9.412 1.00 0.87 C ATOM 1857 O ASP A 125 -0.148 2.420 8.437 1.00 0.90 O ATOM 1858 CB ASP A 125 -1.829 2.852 11.034 1.00 1.22 C ATOM 1859 CG ASP A 125 -2.915 1.789 10.954 1.00 1.72 C ATOM 1860 OD1 ASP A 125 -2.940 0.884 11.815 1.00 2.14 O ATOM 1861 OD2 ASP A 125 -3.751 1.851 10.027 1.00 2.36 O ATOM 0 H ASP A 125 0.358 4.185 10.426 1.00 1.00 H new ATOM 0 HA ASP A 125 -0.234 1.527 11.556 1.00 1.03 H new ATOM 0 HB2 ASP A 125 -1.865 3.328 12.014 1.00 1.22 H new ATOM 0 HB3 ASP A 125 -2.032 3.628 10.296 1.00 1.22 H new ATOM 1866 N LEU A 126 -0.528 0.403 9.334 1.00 0.81 N ATOM 1867 CA LEU A 126 -0.426 -0.308 8.076 1.00 0.73 C ATOM 1868 C LEU A 126 -1.705 -1.102 7.817 1.00 0.76 C ATOM 1869 O LEU A 126 -1.924 -2.159 8.414 1.00 0.86 O ATOM 1870 CB LEU A 126 0.785 -1.241 8.098 1.00 0.75 C ATOM 1871 CG LEU A 126 1.688 -1.158 6.866 1.00 0.94 C ATOM 1872 CD1 LEU A 126 2.737 -2.257 6.901 1.00 1.67 C ATOM 1873 CD2 LEU A 126 0.868 -1.228 5.586 1.00 1.83 C ATOM 0 H LEU A 126 -0.740 -0.191 10.136 1.00 0.81 H new ATOM 0 HA LEU A 126 -0.295 0.414 7.270 1.00 0.73 H new ATOM 0 HB2 LEU A 126 1.381 -1.017 8.983 1.00 0.75 H new ATOM 0 HB3 LEU A 126 0.432 -2.267 8.203 1.00 0.75 H new ATOM 0 HG LEU A 126 2.201 -0.196 6.881 1.00 0.94 H new ATOM 0 HD11 LEU A 126 3.371 -2.183 6.017 1.00 1.67 H new ATOM 0 HD12 LEU A 126 3.349 -2.148 7.796 1.00 1.67 H new ATOM 0 HD13 LEU A 126 2.245 -3.229 6.914 1.00 1.67 H new ATOM 0 HD21 LEU A 126 1.533 -1.167 4.724 1.00 1.83 H new ATOM 0 HD22 LEU A 126 0.320 -2.170 5.556 1.00 1.83 H new ATOM 0 HD23 LEU A 126 0.163 -0.397 5.560 1.00 1.83 H new ATOM 1885 N PRO A 127 -2.578 -0.590 6.935 1.00 0.77 N ATOM 1886 CA PRO A 127 -3.859 -1.212 6.625 1.00 0.89 C ATOM 1887 C PRO A 127 -3.739 -2.286 5.544 1.00 0.85 C ATOM 1888 O PRO A 127 -2.819 -2.259 4.731 1.00 0.77 O ATOM 1889 CB PRO A 127 -4.707 -0.031 6.116 1.00 1.00 C ATOM 1890 CG PRO A 127 -3.813 1.167 6.136 1.00 0.91 C ATOM 1891 CD PRO A 127 -2.409 0.643 6.171 1.00 0.78 C ATOM 0 HA PRO A 127 -4.284 -1.725 7.487 1.00 0.89 H new ATOM 0 HB2 PRO A 127 -5.077 -0.223 5.109 1.00 1.00 H new ATOM 0 HB3 PRO A 127 -5.579 0.124 6.751 1.00 1.00 H new ATOM 0 HG2 PRO A 127 -3.975 1.788 5.255 1.00 0.91 H new ATOM 0 HG3 PRO A 127 -4.017 1.790 7.007 1.00 0.91 H new ATOM 0 HD2 PRO A 127 -2.016 0.456 5.172 1.00 0.78 H new ATOM 0 HD3 PRO A 127 -1.724 1.337 6.658 1.00 0.78 H new ATOM 1899 N PRO A 128 -4.692 -3.236 5.509 1.00 0.99 N ATOM 1900 CA PRO A 128 -4.705 -4.319 4.515 1.00 1.06 C ATOM 1901 C PRO A 128 -4.884 -3.796 3.094 1.00 1.01 C ATOM 1902 O PRO A 128 -4.570 -4.475 2.122 1.00 1.15 O ATOM 1903 CB PRO A 128 -5.912 -5.176 4.903 1.00 1.27 C ATOM 1904 CG PRO A 128 -6.288 -4.754 6.283 1.00 1.34 C ATOM 1905 CD PRO A 128 -5.821 -3.339 6.449 1.00 1.15 C ATOM 0 HA PRO A 128 -3.762 -4.865 4.517 1.00 1.06 H new ATOM 0 HB2 PRO A 128 -6.739 -5.023 4.209 1.00 1.27 H new ATOM 0 HB3 PRO A 128 -5.663 -6.237 4.873 1.00 1.27 H new ATOM 0 HG2 PRO A 128 -7.366 -4.824 6.428 1.00 1.34 H new ATOM 0 HG3 PRO A 128 -5.824 -5.403 7.025 1.00 1.34 H new ATOM 0 HD2 PRO A 128 -6.609 -2.626 6.209 1.00 1.15 H new ATOM 0 HD3 PRO A 128 -5.510 -3.137 7.474 1.00 1.15 H new ATOM 1913 N HIS A 129 -5.379 -2.576 2.981 1.00 0.95 N ATOM 1914 CA HIS A 129 -5.569 -1.955 1.677 1.00 0.96 C ATOM 1915 C HIS A 129 -4.316 -1.190 1.286 1.00 0.94 C ATOM 1916 O HIS A 129 -4.346 -0.334 0.408 1.00 1.22 O ATOM 1917 CB HIS A 129 -6.805 -1.030 1.650 1.00 1.07 C ATOM 1918 CG HIS A 129 -6.739 0.175 2.545 1.00 1.11 C ATOM 1919 ND1 HIS A 129 -7.630 0.398 3.571 1.00 1.27 N ATOM 1920 CD2 HIS A 129 -5.909 1.248 2.538 1.00 1.27 C ATOM 1921 CE1 HIS A 129 -7.350 1.550 4.154 1.00 1.45 C ATOM 1922 NE2 HIS A 129 -6.311 2.089 3.545 1.00 1.48 N ATOM 0 H HIS A 129 -5.657 -1.995 3.772 1.00 0.95 H new ATOM 0 HA HIS A 129 -5.750 -2.747 0.951 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -6.959 -0.690 0.626 1.00 1.07 H new ATOM 0 HB3 HIS A 129 -7.681 -1.617 1.926 1.00 1.07 H new ATOM 0 HD2 HIS A 129 -5.082 1.411 1.863 1.00 1.27 H new ATOM 0 HE1 HIS A 129 -7.883 1.979 4.990 1.00 1.45 H new ATOM 0 HE2 HIS A 129 -5.879 2.982 3.783 1.00 1.48 H new ATOM 1931 N LEU A 130 -3.229 -1.487 1.989 1.00 0.73 N ATOM 1932 CA LEU A 130 -1.919 -0.929 1.683 1.00 0.69 C ATOM 1933 C LEU A 130 -0.843 -1.927 2.063 1.00 0.69 C ATOM 1934 O LEU A 130 0.326 -1.578 2.196 1.00 0.72 O ATOM 1935 CB LEU A 130 -1.699 0.365 2.450 1.00 0.75 C ATOM 1936 CG LEU A 130 -1.347 1.592 1.609 1.00 0.81 C ATOM 1937 CD1 LEU A 130 -2.599 2.360 1.208 1.00 1.27 C ATOM 1938 CD2 LEU A 130 -0.377 2.489 2.353 1.00 1.29 C ATOM 0 H LEU A 130 -3.232 -2.122 2.787 1.00 0.73 H new ATOM 0 HA LEU A 130 -1.869 -0.718 0.615 1.00 0.69 H new ATOM 0 HB2 LEU A 130 -2.603 0.586 3.018 1.00 0.75 H new ATOM 0 HB3 LEU A 130 -0.900 0.204 3.173 1.00 0.75 H new ATOM 0 HG LEU A 130 -0.862 1.247 0.696 1.00 0.81 H new ATOM 0 HD11 LEU A 130 -2.318 3.227 0.611 1.00 1.27 H new ATOM 0 HD12 LEU A 130 -3.251 1.712 0.622 1.00 1.27 H new ATOM 0 HD13 LEU A 130 -3.125 2.691 2.103 1.00 1.27 H new ATOM 0 HD21 LEU A 130 -0.139 3.357 1.738 1.00 1.29 H new ATOM 0 HD22 LEU A 130 -0.831 2.820 3.287 1.00 1.29 H new ATOM 0 HD23 LEU A 130 0.537 1.936 2.570 1.00 1.29 H new ATOM 1950 N VAL A 131 -1.244 -3.173 2.233 1.00 0.76 N ATOM 1951 CA VAL A 131 -0.314 -4.191 2.657 1.00 0.84 C ATOM 1952 C VAL A 131 0.178 -4.978 1.442 1.00 0.76 C ATOM 1953 O VAL A 131 -0.614 -5.559 0.697 1.00 0.76 O ATOM 1954 CB VAL A 131 -0.937 -5.121 3.729 1.00 1.05 C ATOM 1955 CG1 VAL A 131 -2.003 -6.043 3.155 1.00 1.72 C ATOM 1956 CG2 VAL A 131 0.142 -5.912 4.433 1.00 1.59 C ATOM 0 H VAL A 131 -2.199 -3.498 2.085 1.00 0.76 H new ATOM 0 HA VAL A 131 0.543 -3.707 3.126 1.00 0.84 H new ATOM 0 HB VAL A 131 -1.438 -4.483 4.457 1.00 1.05 H new ATOM 0 HG11 VAL A 131 -2.406 -6.672 3.949 1.00 1.72 H new ATOM 0 HG12 VAL A 131 -2.806 -5.446 2.723 1.00 1.72 H new ATOM 0 HG13 VAL A 131 -1.562 -6.672 2.382 1.00 1.72 H new ATOM 0 HG21 VAL A 131 -0.312 -6.560 5.183 1.00 1.59 H new ATOM 0 HG22 VAL A 131 0.680 -6.520 3.706 1.00 1.59 H new ATOM 0 HG23 VAL A 131 0.837 -5.227 4.919 1.00 1.59 H new ATOM 1966 N PRO A 132 1.496 -4.952 1.187 1.00 0.78 N ATOM 1967 CA PRO A 132 2.080 -5.634 0.036 1.00 0.79 C ATOM 1968 C PRO A 132 1.859 -7.154 0.112 1.00 0.83 C ATOM 1969 O PRO A 132 2.364 -7.816 1.021 1.00 0.85 O ATOM 1970 CB PRO A 132 3.573 -5.305 0.114 1.00 0.90 C ATOM 1971 CG PRO A 132 3.716 -4.210 1.110 1.00 1.04 C ATOM 1972 CD PRO A 132 2.499 -4.236 1.986 1.00 0.88 C ATOM 0 HA PRO A 132 1.625 -5.311 -0.901 1.00 0.79 H new ATOM 0 HB2 PRO A 132 4.147 -6.181 0.416 1.00 0.90 H new ATOM 0 HB3 PRO A 132 3.953 -4.995 -0.860 1.00 0.90 H new ATOM 0 HG2 PRO A 132 4.619 -4.348 1.704 1.00 1.04 H new ATOM 0 HG3 PRO A 132 3.808 -3.246 0.610 1.00 1.04 H new ATOM 0 HD2 PRO A 132 2.697 -4.747 2.928 1.00 0.88 H new ATOM 0 HD3 PRO A 132 2.165 -3.228 2.234 1.00 0.88 H new