USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 725 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 74 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.069) USER MOD Set 1.2: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 65 ASN : amide:sc= -2.32 K(o=-2.2,f=-6.9!) USER MOD Set 2.2: A 67 SER OG : rot 94:sc= 0.121 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= 0.0147 (180deg=-0.131) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -137:sc= 1.22 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.962 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0233 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 52:sc= -0.92 USER MOD Single : A 22 MET CE :methyl -119:sc= -1.75 (180deg=-2.97!) USER MOD Single : A 23 THR OG1 : rot 67:sc= -2.62! USER MOD Single : A 24 THR OG1 : rot -80:sc= -1.55 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 160:sc= -0.508 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.128 K(o=-0.13,f=-2.2!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.562 K(o=-0.56,f=-4.1!) USER MOD Single : A 48 THR OG1 : rot 121:sc= 0.317 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.183 USER MOD Single : A 56 SER OG : rot 180:sc= -0.167 USER MOD Single : A 58 ASN : amide:sc= -0.34 K(o=-0.34,f=-1.7) USER MOD Single : A 60 SER OG : rot 69:sc= 0.584 USER MOD Single : A 61 MET CE :methyl -122:sc= -0.0805 (180deg=-3.13!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 170:sc=-0.000159 USER MOD Single : A 78 GLN : amide:sc= -0.21 K(o=-0.21,f=-1.7!) USER MOD Single : A 81 LYS NZ :NH3+ -163:sc= -0.0158 (180deg=-0.271) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -30.329 0.544 -8.318 1.00 0.00 N ATOM 2 CA MET A 1 -29.623 0.285 -9.601 1.00 0.00 C ATOM 3 C MET A 1 -28.301 -0.447 -9.365 1.00 0.00 C ATOM 4 O MET A 1 -27.642 -0.240 -8.348 1.00 0.00 O ATOM 5 CB MET A 1 -29.367 1.625 -10.297 1.00 0.00 C ATOM 6 CG MET A 1 -28.404 2.530 -9.545 1.00 0.00 C ATOM 7 SD MET A 1 -29.081 4.175 -9.245 1.00 0.00 S ATOM 8 CE MET A 1 -29.546 4.040 -7.521 1.00 0.00 C ATOM 0 H1 MET A 1 -30.880 1.422 -8.396 1.00 0.00 H new ATOM 0 H2 MET A 1 -30.969 -0.249 -8.108 1.00 0.00 H new ATOM 0 H3 MET A 1 -29.632 0.640 -7.552 1.00 0.00 H new ATOM 0 HA MET A 1 -30.245 -0.352 -10.229 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.970 1.436 -11.295 1.00 0.00 H new ATOM 0 HB3 MET A 1 -30.316 2.145 -10.425 1.00 0.00 H new ATOM 0 HG2 MET A 1 -28.148 2.068 -8.592 1.00 0.00 H new ATOM 0 HG3 MET A 1 -27.479 2.621 -10.114 1.00 0.00 H new ATOM 0 HE1 MET A 1 -29.982 4.982 -7.187 1.00 0.00 H new ATOM 0 HE2 MET A 1 -30.277 3.240 -7.403 1.00 0.00 H new ATOM 0 HE3 MET A 1 -28.663 3.816 -6.922 1.00 0.00 H new ATOM 20 N PRO A 2 -27.899 -1.317 -10.307 1.00 0.00 N ATOM 21 CA PRO A 2 -26.652 -2.080 -10.195 1.00 0.00 C ATOM 22 C PRO A 2 -25.421 -1.213 -10.435 1.00 0.00 C ATOM 23 O PRO A 2 -24.372 -1.426 -9.826 1.00 0.00 O ATOM 24 CB PRO A 2 -26.786 -3.134 -11.293 1.00 0.00 C ATOM 25 CG PRO A 2 -27.667 -2.502 -12.315 1.00 0.00 C ATOM 26 CD PRO A 2 -28.626 -1.626 -11.555 1.00 0.00 C ATOM 0 HA PRO A 2 -26.515 -2.498 -9.198 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -25.815 -3.394 -11.713 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -27.223 -4.055 -10.907 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -27.083 -1.916 -13.025 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -28.202 -3.258 -12.890 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -28.870 -0.721 -12.112 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -29.566 -2.140 -11.355 1.00 0.00 H new ATOM 34 N SER A 3 -25.553 -0.237 -11.327 1.00 0.00 N ATOM 35 CA SER A 3 -24.451 0.662 -11.648 1.00 0.00 C ATOM 36 C SER A 3 -23.980 1.415 -10.407 1.00 0.00 C ATOM 37 O SER A 3 -24.649 2.335 -9.937 1.00 0.00 O ATOM 38 CB SER A 3 -24.873 1.655 -12.731 1.00 0.00 C ATOM 39 OG SER A 3 -24.873 1.046 -14.011 1.00 0.00 O ATOM 0 H SER A 3 -26.414 -0.048 -11.841 1.00 0.00 H new ATOM 0 HA SER A 3 -23.623 0.059 -12.020 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.868 2.040 -12.508 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.194 2.508 -12.731 1.00 0.00 H new ATOM 0 HG SER A 3 -25.148 1.702 -14.685 1.00 0.00 H new ATOM 45 N ASP A 4 -22.826 1.017 -9.882 1.00 0.00 N ATOM 46 CA ASP A 4 -22.266 1.657 -8.696 1.00 0.00 C ATOM 47 C ASP A 4 -23.220 1.538 -7.512 1.00 0.00 C ATOM 48 O ASP A 4 -23.996 2.451 -7.233 1.00 0.00 O ATOM 49 CB ASP A 4 -21.966 3.128 -8.979 1.00 0.00 C ATOM 50 CG ASP A 4 -20.844 3.668 -8.113 1.00 0.00 C ATOM 51 OD1 ASP A 4 -19.873 2.920 -7.867 1.00 0.00 O ATOM 52 OD2 ASP A 4 -20.933 4.836 -7.681 1.00 0.00 O ATOM 0 H ASP A 4 -22.261 0.256 -10.258 1.00 0.00 H new ATOM 0 HA ASP A 4 -21.337 1.147 -8.443 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -21.699 3.246 -10.029 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -22.867 3.718 -8.811 1.00 0.00 H new ATOM 57 N SER A 5 -23.158 0.406 -6.820 1.00 0.00 N ATOM 58 CA SER A 5 -24.017 0.167 -5.666 1.00 0.00 C ATOM 59 C SER A 5 -23.480 -0.981 -4.817 1.00 0.00 C ATOM 60 O SER A 5 -22.515 -1.646 -5.193 1.00 0.00 O ATOM 61 CB SER A 5 -25.443 -0.145 -6.121 1.00 0.00 C ATOM 62 OG SER A 5 -25.453 -1.164 -7.105 1.00 0.00 O ATOM 0 H SER A 5 -22.522 -0.361 -7.038 1.00 0.00 H new ATOM 0 HA SER A 5 -24.027 1.072 -5.058 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.041 -0.456 -5.265 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.906 0.757 -6.522 1.00 0.00 H new ATOM 0 HG SER A 5 -26.085 -0.927 -7.815 1.00 0.00 H new ATOM 68 N LYS A 6 -24.114 -1.209 -3.671 1.00 0.00 N ATOM 69 CA LYS A 6 -23.702 -2.278 -2.770 1.00 0.00 C ATOM 70 C LYS A 6 -24.635 -3.478 -2.891 1.00 0.00 C ATOM 71 O LYS A 6 -25.853 -3.345 -2.765 1.00 0.00 O ATOM 72 CB LYS A 6 -23.678 -1.775 -1.324 1.00 0.00 C ATOM 73 CG LYS A 6 -22.317 -1.264 -0.882 1.00 0.00 C ATOM 74 CD LYS A 6 -21.921 -0.003 -1.639 1.00 0.00 C ATOM 75 CE LYS A 6 -20.472 -0.058 -2.095 1.00 0.00 C ATOM 76 NZ LYS A 6 -20.304 0.475 -3.475 1.00 0.00 N ATOM 0 H LYS A 6 -24.915 -0.668 -3.345 1.00 0.00 H new ATOM 0 HA LYS A 6 -22.697 -2.592 -3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -24.411 -0.976 -1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -23.986 -2.584 -0.661 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -22.335 -1.057 0.188 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -21.567 -2.038 -1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -22.571 0.122 -2.505 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -22.070 0.868 -1.000 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -19.853 0.516 -1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -20.119 -1.088 -2.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -19.302 0.420 -3.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -20.875 -0.089 -4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.617 1.466 -3.505 1.00 0.00 H new ATOM 90 N LYS A 7 -24.057 -4.648 -3.134 1.00 0.00 N ATOM 91 CA LYS A 7 -24.838 -5.873 -3.274 1.00 0.00 C ATOM 92 C LYS A 7 -23.946 -7.106 -3.142 1.00 0.00 C ATOM 93 O LYS A 7 -22.731 -7.025 -3.323 1.00 0.00 O ATOM 94 CB LYS A 7 -25.558 -5.891 -4.626 1.00 0.00 C ATOM 95 CG LYS A 7 -24.690 -5.425 -5.784 1.00 0.00 C ATOM 96 CD LYS A 7 -25.479 -5.361 -7.084 1.00 0.00 C ATOM 97 CE LYS A 7 -26.072 -6.715 -7.445 1.00 0.00 C ATOM 98 NZ LYS A 7 -27.538 -6.765 -7.192 1.00 0.00 N ATOM 0 H LYS A 7 -23.050 -4.775 -3.238 1.00 0.00 H new ATOM 0 HA LYS A 7 -25.579 -5.896 -2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -25.907 -6.903 -4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -26.441 -5.255 -4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -24.279 -4.441 -5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -23.846 -6.104 -5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -26.279 -4.626 -6.989 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -24.828 -5.022 -7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -25.878 -6.928 -8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -25.577 -7.494 -6.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -27.903 -7.704 -7.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -27.723 -6.588 -6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -28.014 -6.039 -7.764 1.00 0.00 H new ATOM 112 N PRO A 8 -24.542 -8.268 -2.824 1.00 0.00 N ATOM 113 CA PRO A 8 -23.794 -9.522 -2.669 1.00 0.00 C ATOM 114 C PRO A 8 -23.038 -9.911 -3.937 1.00 0.00 C ATOM 115 O PRO A 8 -22.111 -10.719 -3.894 1.00 0.00 O ATOM 116 CB PRO A 8 -24.881 -10.561 -2.355 1.00 0.00 C ATOM 117 CG PRO A 8 -26.161 -9.933 -2.791 1.00 0.00 C ATOM 118 CD PRO A 8 -25.982 -8.457 -2.593 1.00 0.00 C ATOM 0 HA PRO A 8 -23.031 -9.440 -1.895 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -24.699 -11.494 -2.888 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -24.902 -10.800 -1.292 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -26.374 -10.164 -3.835 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -27.000 -10.307 -2.204 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -26.583 -7.879 -3.295 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -26.275 -8.145 -1.590 1.00 0.00 H new ATOM 126 N THR A 9 -23.438 -9.330 -5.065 1.00 0.00 N ATOM 127 CA THR A 9 -22.792 -9.616 -6.341 1.00 0.00 C ATOM 128 C THR A 9 -21.496 -8.823 -6.475 1.00 0.00 C ATOM 129 O THR A 9 -21.403 -7.893 -7.275 1.00 0.00 O ATOM 130 CB THR A 9 -23.734 -9.284 -7.500 1.00 0.00 C ATOM 131 OG1 THR A 9 -25.069 -9.635 -7.178 1.00 0.00 O ATOM 132 CG2 THR A 9 -23.372 -9.992 -8.787 1.00 0.00 C ATOM 0 H THR A 9 -24.205 -8.660 -5.121 1.00 0.00 H new ATOM 0 HA THR A 9 -22.554 -10.679 -6.375 1.00 0.00 H new ATOM 0 HB THR A 9 -23.634 -8.210 -7.654 1.00 0.00 H new ATOM 0 HG1 THR A 9 -25.656 -9.413 -7.931 1.00 0.00 H new ATOM 0 HG21 THR A 9 -24.080 -9.712 -9.568 1.00 0.00 H new ATOM 0 HG22 THR A 9 -22.365 -9.704 -9.090 1.00 0.00 H new ATOM 0 HG23 THR A 9 -23.410 -11.070 -8.632 1.00 0.00 H new ATOM 140 N ILE A 10 -20.503 -9.197 -5.678 1.00 0.00 N ATOM 141 CA ILE A 10 -19.212 -8.522 -5.696 1.00 0.00 C ATOM 142 C ILE A 10 -18.070 -9.523 -5.571 1.00 0.00 C ATOM 143 O ILE A 10 -17.711 -9.940 -4.469 1.00 0.00 O ATOM 144 CB ILE A 10 -19.119 -7.481 -4.559 1.00 0.00 C ATOM 145 CG1 ILE A 10 -20.071 -6.317 -4.831 1.00 0.00 C ATOM 146 CG2 ILE A 10 -17.690 -6.973 -4.394 1.00 0.00 C ATOM 147 CD1 ILE A 10 -19.688 -5.491 -6.038 1.00 0.00 C ATOM 0 H ILE A 10 -20.567 -9.965 -5.010 1.00 0.00 H new ATOM 0 HA ILE A 10 -19.124 -8.008 -6.653 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.412 -7.967 -3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -21.078 -6.708 -4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -20.101 -5.671 -3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -17.655 -6.242 -3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -17.032 -7.809 -4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -17.361 -6.505 -5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -20.408 -4.683 -6.170 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -18.694 -5.070 -5.890 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -19.686 -6.123 -6.926 1.00 0.00 H new ATOM 159 N ILE A 11 -17.500 -9.899 -6.709 1.00 0.00 N ATOM 160 CA ILE A 11 -16.395 -10.844 -6.732 1.00 0.00 C ATOM 161 C ILE A 11 -15.392 -10.485 -7.824 1.00 0.00 C ATOM 162 O ILE A 11 -15.592 -10.806 -8.996 1.00 0.00 O ATOM 163 CB ILE A 11 -16.892 -12.282 -6.968 1.00 0.00 C ATOM 164 CG1 ILE A 11 -18.103 -12.581 -6.078 1.00 0.00 C ATOM 165 CG2 ILE A 11 -15.774 -13.280 -6.710 1.00 0.00 C ATOM 166 CD1 ILE A 11 -17.766 -12.675 -4.606 1.00 0.00 C ATOM 0 H ILE A 11 -17.786 -9.562 -7.628 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.909 -10.788 -5.758 1.00 0.00 H new ATOM 0 HB ILE A 11 -17.200 -12.377 -8.009 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -18.850 -11.801 -6.222 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -18.556 -13.519 -6.399 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -16.142 -14.291 -6.881 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.942 -13.077 -7.385 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.435 -13.187 -5.678 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -18.672 -12.888 -4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.042 -13.475 -4.449 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -17.341 -11.730 -4.269 1.00 0.00 H new ATOM 178 N TYR A 12 -14.309 -9.827 -7.429 1.00 0.00 N ATOM 179 CA TYR A 12 -13.265 -9.435 -8.370 1.00 0.00 C ATOM 180 C TYR A 12 -11.887 -9.745 -7.798 1.00 0.00 C ATOM 181 O TYR A 12 -11.281 -8.912 -7.127 1.00 0.00 O ATOM 182 CB TYR A 12 -13.366 -7.944 -8.713 1.00 0.00 C ATOM 183 CG TYR A 12 -13.911 -7.081 -7.594 1.00 0.00 C ATOM 184 CD1 TYR A 12 -13.114 -6.720 -6.513 1.00 0.00 C ATOM 185 CD2 TYR A 12 -15.223 -6.622 -7.623 1.00 0.00 C ATOM 186 CE1 TYR A 12 -13.609 -5.929 -5.495 1.00 0.00 C ATOM 187 CE2 TYR A 12 -15.724 -5.831 -6.606 1.00 0.00 C ATOM 188 CZ TYR A 12 -14.914 -5.487 -5.545 1.00 0.00 C ATOM 189 OH TYR A 12 -15.409 -4.699 -4.533 1.00 0.00 O ATOM 0 H TYR A 12 -14.130 -9.553 -6.463 1.00 0.00 H new ATOM 0 HA TYR A 12 -13.406 -10.010 -9.285 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -12.377 -7.579 -8.988 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -14.004 -7.827 -9.589 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -12.091 -7.064 -6.469 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -15.861 -6.888 -8.453 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.976 -5.658 -4.663 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -16.746 -5.484 -6.643 1.00 0.00 H new ATOM 0 HH TYR A 12 -16.344 -4.473 -4.722 1.00 0.00 H new ATOM 199 N PRO A 13 -11.371 -10.957 -8.053 1.00 0.00 N ATOM 200 CA PRO A 13 -10.068 -11.372 -7.555 1.00 0.00 C ATOM 201 C PRO A 13 -8.933 -10.983 -8.498 1.00 0.00 C ATOM 202 O PRO A 13 -8.303 -11.841 -9.117 1.00 0.00 O ATOM 203 CB PRO A 13 -10.220 -12.884 -7.479 1.00 0.00 C ATOM 204 CG PRO A 13 -11.114 -13.223 -8.625 1.00 0.00 C ATOM 205 CD PRO A 13 -12.018 -12.028 -8.835 1.00 0.00 C ATOM 0 HA PRO A 13 -9.806 -10.900 -6.608 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.256 -13.385 -7.565 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.657 -13.193 -6.529 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.532 -13.431 -9.523 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -11.698 -14.118 -8.410 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.093 -11.764 -9.890 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.030 -12.225 -8.483 1.00 0.00 H new ATOM 213 N CYS A 14 -8.679 -9.683 -8.603 1.00 0.00 N ATOM 214 CA CYS A 14 -7.622 -9.177 -9.469 1.00 0.00 C ATOM 215 C CYS A 14 -6.850 -8.052 -8.790 1.00 0.00 C ATOM 216 O CYS A 14 -7.318 -7.467 -7.813 1.00 0.00 O ATOM 217 CB CYS A 14 -8.211 -8.682 -10.792 1.00 0.00 C ATOM 218 SG CYS A 14 -8.304 -9.949 -12.079 1.00 0.00 S ATOM 0 H CYS A 14 -9.192 -8.960 -8.098 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.930 -9.995 -9.670 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.212 -8.292 -10.608 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.607 -7.851 -11.158 1.00 0.00 H new ATOM 0 HG CYS A 14 -8.817 -9.435 -13.157 1.00 0.00 H new ATOM 224 N LEU A 15 -5.668 -7.753 -9.316 1.00 0.00 N ATOM 225 CA LEU A 15 -4.829 -6.696 -8.764 1.00 0.00 C ATOM 226 C LEU A 15 -5.425 -5.323 -9.051 1.00 0.00 C ATOM 227 O LEU A 15 -5.625 -4.954 -10.208 1.00 0.00 O ATOM 228 CB LEU A 15 -3.416 -6.784 -9.343 1.00 0.00 C ATOM 229 CG LEU A 15 -2.504 -7.814 -8.674 1.00 0.00 C ATOM 230 CD1 LEU A 15 -2.185 -7.395 -7.247 1.00 0.00 C ATOM 231 CD2 LEU A 15 -3.147 -9.191 -8.699 1.00 0.00 C ATOM 0 H LEU A 15 -5.268 -8.228 -10.125 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.780 -6.831 -7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.489 -7.021 -10.404 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.947 -5.803 -9.267 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.570 -7.863 -9.233 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.535 -8.139 -6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.681 -6.429 -7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.110 -7.317 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.484 -9.911 -8.219 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.096 -9.159 -8.164 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.322 -9.492 -9.732 1.00 0.00 H new ATOM 243 N TRP A 16 -5.705 -4.570 -7.993 1.00 0.00 N ATOM 244 CA TRP A 16 -6.279 -3.237 -8.135 1.00 0.00 C ATOM 245 C TRP A 16 -5.348 -2.176 -7.557 1.00 0.00 C ATOM 246 O TRP A 16 -4.718 -2.387 -6.520 1.00 0.00 O ATOM 247 CB TRP A 16 -7.641 -3.169 -7.443 1.00 0.00 C ATOM 248 CG TRP A 16 -8.537 -2.105 -7.997 1.00 0.00 C ATOM 249 CD1 TRP A 16 -8.781 -0.875 -7.458 1.00 0.00 C ATOM 250 CD2 TRP A 16 -9.313 -2.177 -9.199 1.00 0.00 C ATOM 251 NE1 TRP A 16 -9.659 -0.177 -8.250 1.00 0.00 N ATOM 252 CE2 TRP A 16 -10.001 -0.955 -9.326 1.00 0.00 C ATOM 253 CE3 TRP A 16 -9.492 -3.155 -10.182 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -10.852 -0.687 -10.394 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -10.339 -2.888 -11.242 1.00 0.00 C ATOM 256 CH2 TRP A 16 -11.009 -1.661 -11.341 1.00 0.00 C ATOM 0 H TRP A 16 -5.544 -4.860 -7.028 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.409 -3.038 -9.199 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.136 -4.135 -7.536 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.491 -2.989 -6.378 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.346 -0.504 -6.541 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -10.001 0.766 -8.068 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -8.978 -4.102 -10.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -11.370 0.257 -10.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -10.487 -3.637 -12.006 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -11.662 -1.481 -12.182 1.00 0.00 H new ATOM 267 N ASP A 17 -5.270 -1.035 -8.233 1.00 0.00 N ATOM 268 CA ASP A 17 -4.420 0.063 -7.787 1.00 0.00 C ATOM 269 C ASP A 17 -5.218 1.048 -6.940 1.00 0.00 C ATOM 270 O ASP A 17 -6.411 1.247 -7.164 1.00 0.00 O ATOM 271 CB ASP A 17 -3.805 0.781 -8.989 1.00 0.00 C ATOM 272 CG ASP A 17 -2.303 0.938 -8.863 1.00 0.00 C ATOM 273 OD1 ASP A 17 -1.859 1.755 -8.027 1.00 0.00 O ATOM 274 OD2 ASP A 17 -1.569 0.245 -9.598 1.00 0.00 O ATOM 0 H ASP A 17 -5.786 -0.846 -9.093 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.618 -0.350 -7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.034 0.224 -9.897 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.263 1.765 -9.094 1.00 0.00 H new ATOM 279 N TYR A 18 -4.556 1.662 -5.965 1.00 0.00 N ATOM 280 CA TYR A 18 -5.214 2.622 -5.087 1.00 0.00 C ATOM 281 C TYR A 18 -4.429 3.930 -5.019 1.00 0.00 C ATOM 282 O TYR A 18 -3.349 3.987 -4.431 1.00 0.00 O ATOM 283 CB TYR A 18 -5.373 2.036 -3.684 1.00 0.00 C ATOM 284 CG TYR A 18 -6.227 0.787 -3.643 1.00 0.00 C ATOM 285 CD1 TYR A 18 -7.570 0.832 -3.993 1.00 0.00 C ATOM 286 CD2 TYR A 18 -5.688 -0.433 -3.256 1.00 0.00 C ATOM 287 CE1 TYR A 18 -8.353 -0.307 -3.958 1.00 0.00 C ATOM 288 CE2 TYR A 18 -6.465 -1.575 -3.219 1.00 0.00 C ATOM 289 CZ TYR A 18 -7.797 -1.507 -3.571 1.00 0.00 C ATOM 290 OH TYR A 18 -8.574 -2.641 -3.536 1.00 0.00 O ATOM 0 H TYR A 18 -3.567 1.512 -5.763 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.200 2.834 -5.499 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.387 1.805 -3.282 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.815 2.790 -3.032 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.009 1.771 -4.297 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.645 -0.490 -2.980 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.396 -0.256 -4.233 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.031 -2.517 -2.916 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.033 -2.750 -4.395 1.00 0.00 H new ATOM 300 N ARG A 19 -4.984 4.975 -5.623 1.00 0.00 N ATOM 301 CA ARG A 19 -4.341 6.283 -5.628 1.00 0.00 C ATOM 302 C ARG A 19 -4.498 6.963 -4.270 1.00 0.00 C ATOM 303 O ARG A 19 -5.557 7.506 -3.957 1.00 0.00 O ATOM 304 CB ARG A 19 -4.939 7.163 -6.729 1.00 0.00 C ATOM 305 CG ARG A 19 -3.925 7.604 -7.773 1.00 0.00 C ATOM 306 CD ARG A 19 -3.739 9.114 -7.775 1.00 0.00 C ATOM 307 NE ARG A 19 -4.944 9.815 -8.217 1.00 0.00 N ATOM 308 CZ ARG A 19 -5.823 10.384 -7.392 1.00 0.00 C ATOM 309 NH1 ARG A 19 -5.647 10.338 -6.078 1.00 0.00 N ATOM 310 NH2 ARG A 19 -6.887 11.001 -7.888 1.00 0.00 N ATOM 0 H ARG A 19 -5.877 4.942 -6.115 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.278 6.143 -5.826 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.743 6.617 -7.223 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.387 8.046 -6.274 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.968 7.120 -7.578 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.253 7.276 -8.760 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.473 9.448 -6.772 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.907 9.376 -8.429 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.123 9.872 -9.220 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.832 9.864 -5.689 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.326 10.777 -5.457 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.030 11.039 -8.897 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.562 11.438 -7.260 1.00 0.00 H new ATOM 324 N VAL A 20 -3.441 6.922 -3.467 1.00 0.00 N ATOM 325 CA VAL A 20 -3.468 7.528 -2.141 1.00 0.00 C ATOM 326 C VAL A 20 -2.435 8.642 -2.015 1.00 0.00 C ATOM 327 O VAL A 20 -1.232 8.400 -2.124 1.00 0.00 O ATOM 328 CB VAL A 20 -3.203 6.481 -1.044 1.00 0.00 C ATOM 329 CG1 VAL A 20 -3.446 7.078 0.333 1.00 0.00 C ATOM 330 CG2 VAL A 20 -4.070 5.250 -1.259 1.00 0.00 C ATOM 0 H VAL A 20 -2.556 6.476 -3.710 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.466 7.947 -2.010 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.158 6.176 -1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.254 6.323 1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.778 7.926 0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.481 7.413 0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.868 4.521 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.121 5.536 -1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.842 4.810 -2.230 1.00 0.00 H new ATOM 340 N ILE A 21 -2.911 9.859 -1.778 1.00 0.00 N ATOM 341 CA ILE A 21 -2.025 11.008 -1.627 1.00 0.00 C ATOM 342 C ILE A 21 -1.986 11.476 -0.178 1.00 0.00 C ATOM 343 O ILE A 21 -3.021 11.563 0.483 1.00 0.00 O ATOM 344 CB ILE A 21 -2.456 12.193 -2.517 1.00 0.00 C ATOM 345 CG1 ILE A 21 -2.992 11.714 -3.875 1.00 0.00 C ATOM 346 CG2 ILE A 21 -1.292 13.154 -2.709 1.00 0.00 C ATOM 347 CD1 ILE A 21 -2.188 10.599 -4.514 1.00 0.00 C ATOM 0 H ILE A 21 -3.903 10.076 -1.686 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.034 10.677 -1.939 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.268 12.716 -2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.020 11.375 -3.746 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.020 12.562 -4.559 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.607 13.986 -3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.970 13.534 -1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.464 12.631 -3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.639 10.326 -5.468 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.165 10.937 -4.680 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.181 9.731 -3.854 1.00 0.00 H new ATOM 359 N MET A 22 -0.789 11.774 0.313 1.00 0.00 N ATOM 360 CA MET A 22 -0.620 12.232 1.683 1.00 0.00 C ATOM 361 C MET A 22 -0.168 13.685 1.714 1.00 0.00 C ATOM 362 O MET A 22 0.571 14.136 0.841 1.00 0.00 O ATOM 363 CB MET A 22 0.398 11.355 2.417 1.00 0.00 C ATOM 364 CG MET A 22 0.398 9.902 1.967 1.00 0.00 C ATOM 365 SD MET A 22 1.694 9.546 0.766 1.00 0.00 S ATOM 366 CE MET A 22 3.153 10.015 1.693 1.00 0.00 C ATOM 0 H MET A 22 0.078 11.706 -0.219 1.00 0.00 H new ATOM 0 HA MET A 22 -1.584 12.156 2.187 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.395 11.771 2.269 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.192 11.394 3.487 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.526 9.257 2.836 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.572 9.661 1.531 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.670 10.822 1.174 1.00 0.00 H new ATOM 0 HE2 MET A 22 2.860 10.352 2.687 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.819 9.157 1.783 1.00 0.00 H new ATOM 376 N THR A 23 -0.620 14.412 2.727 1.00 0.00 N ATOM 377 CA THR A 23 -0.262 15.818 2.874 1.00 0.00 C ATOM 378 C THR A 23 0.404 16.066 4.225 1.00 0.00 C ATOM 379 O THR A 23 -0.167 16.706 5.106 1.00 0.00 O ATOM 380 CB THR A 23 -1.502 16.703 2.723 1.00 0.00 C ATOM 381 OG1 THR A 23 -2.284 16.683 3.902 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.396 16.287 1.574 1.00 0.00 C ATOM 0 H THR A 23 -1.234 14.053 3.458 1.00 0.00 H new ATOM 0 HA THR A 23 0.448 16.074 2.088 1.00 0.00 H new ATOM 0 HB THR A 23 -1.118 17.703 2.523 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.791 17.117 4.629 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.256 16.954 1.522 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.837 16.342 0.640 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.739 15.265 1.732 1.00 0.00 H new ATOM 390 N THR A 24 1.620 15.552 4.375 1.00 0.00 N ATOM 391 CA THR A 24 2.368 15.714 5.617 1.00 0.00 C ATOM 392 C THR A 24 3.814 16.113 5.338 1.00 0.00 C ATOM 393 O THR A 24 4.337 15.866 4.252 1.00 0.00 O ATOM 394 CB THR A 24 2.332 14.421 6.433 1.00 0.00 C ATOM 395 OG1 THR A 24 1.048 13.826 6.372 1.00 0.00 O ATOM 396 CG2 THR A 24 2.677 14.624 7.892 1.00 0.00 C ATOM 0 H THR A 24 2.108 15.021 3.654 1.00 0.00 H new ATOM 0 HA THR A 24 1.896 16.511 6.191 1.00 0.00 H new ATOM 0 HB THR A 24 3.088 13.775 5.986 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.448 14.278 7.001 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.633 13.668 8.413 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.683 15.036 7.974 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.964 15.315 8.342 1.00 0.00 H new ATOM 404 N LYS A 25 4.453 16.731 6.325 1.00 0.00 N ATOM 405 CA LYS A 25 5.838 17.164 6.187 1.00 0.00 C ATOM 406 C LYS A 25 6.785 16.184 6.874 1.00 0.00 C ATOM 407 O LYS A 25 7.851 16.570 7.354 1.00 0.00 O ATOM 408 CB LYS A 25 6.020 18.565 6.778 1.00 0.00 C ATOM 409 CG LYS A 25 4.905 19.530 6.410 1.00 0.00 C ATOM 410 CD LYS A 25 4.897 20.747 7.323 1.00 0.00 C ATOM 411 CE LYS A 25 3.483 21.129 7.738 1.00 0.00 C ATOM 412 NZ LYS A 25 3.091 22.464 7.207 1.00 0.00 N ATOM 0 H LYS A 25 4.033 16.943 7.230 1.00 0.00 H new ATOM 0 HA LYS A 25 6.079 17.192 5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.079 18.487 7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.971 18.974 6.436 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.027 19.851 5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.944 19.019 6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.494 20.540 8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.366 21.588 6.813 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.783 20.375 7.378 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.413 21.136 8.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.122 22.688 7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.744 23.187 7.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.133 22.450 6.168 1.00 0.00 H new ATOM 426 N ASP A 26 6.389 14.917 6.915 1.00 0.00 N ATOM 427 CA ASP A 26 7.203 13.881 7.543 1.00 0.00 C ATOM 428 C ASP A 26 6.753 12.493 7.096 1.00 0.00 C ATOM 429 O ASP A 26 6.542 11.601 7.918 1.00 0.00 O ATOM 430 CB ASP A 26 7.123 13.994 9.066 1.00 0.00 C ATOM 431 CG ASP A 26 5.696 14.122 9.562 1.00 0.00 C ATOM 432 OD1 ASP A 26 5.174 15.257 9.579 1.00 0.00 O ATOM 433 OD2 ASP A 26 5.102 13.089 9.933 1.00 0.00 O ATOM 0 H ASP A 26 5.510 14.582 6.521 1.00 0.00 H new ATOM 0 HA ASP A 26 8.238 14.025 7.231 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.584 13.116 9.517 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.698 14.860 9.394 1.00 0.00 H new ATOM 438 N THR A 27 6.610 12.318 5.786 1.00 0.00 N ATOM 439 CA THR A 27 6.186 11.040 5.226 1.00 0.00 C ATOM 440 C THR A 27 7.333 10.029 5.212 1.00 0.00 C ATOM 441 O THR A 27 7.137 8.865 4.858 1.00 0.00 O ATOM 442 CB THR A 27 5.650 11.236 3.807 1.00 0.00 C ATOM 443 OG1 THR A 27 6.708 11.496 2.902 1.00 0.00 O ATOM 444 CG2 THR A 27 4.657 12.374 3.694 1.00 0.00 C ATOM 0 H THR A 27 6.782 13.046 5.092 1.00 0.00 H new ATOM 0 HA THR A 27 5.393 10.646 5.861 1.00 0.00 H new ATOM 0 HB THR A 27 5.140 10.305 3.560 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.345 11.617 2.000 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.316 12.459 2.662 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.803 12.178 4.343 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.136 13.306 3.996 1.00 0.00 H new ATOM 452 N SER A 28 8.529 10.473 5.597 1.00 0.00 N ATOM 453 CA SER A 28 9.699 9.598 5.625 1.00 0.00 C ATOM 454 C SER A 28 9.402 8.305 6.381 1.00 0.00 C ATOM 455 O SER A 28 9.970 7.255 6.082 1.00 0.00 O ATOM 456 CB SER A 28 10.883 10.319 6.269 1.00 0.00 C ATOM 457 OG SER A 28 11.629 11.038 5.303 1.00 0.00 O ATOM 0 H SER A 28 8.712 11.432 5.893 1.00 0.00 H new ATOM 0 HA SER A 28 9.952 9.342 4.596 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.522 11.003 7.037 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.528 9.594 6.765 1.00 0.00 H new ATOM 0 HG SER A 28 12.380 11.492 5.740 1.00 0.00 H new ATOM 463 N THR A 29 8.507 8.391 7.360 1.00 0.00 N ATOM 464 CA THR A 29 8.134 7.229 8.157 1.00 0.00 C ATOM 465 C THR A 29 7.233 6.289 7.359 1.00 0.00 C ATOM 466 O THR A 29 7.245 5.076 7.565 1.00 0.00 O ATOM 467 CB THR A 29 7.422 7.668 9.437 1.00 0.00 C ATOM 468 OG1 THR A 29 7.133 6.552 10.259 1.00 0.00 O ATOM 469 CG2 THR A 29 6.121 8.398 9.180 1.00 0.00 C ATOM 0 H THR A 29 8.027 9.253 7.620 1.00 0.00 H new ATOM 0 HA THR A 29 9.046 6.694 8.422 1.00 0.00 H new ATOM 0 HB THR A 29 8.112 8.353 9.929 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.679 6.854 11.073 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.669 8.681 10.130 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.317 9.294 8.591 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.440 7.746 8.634 1.00 0.00 H new ATOM 477 N LEU A 30 6.454 6.861 6.445 1.00 0.00 N ATOM 478 CA LEU A 30 5.549 6.076 5.616 1.00 0.00 C ATOM 479 C LEU A 30 6.316 5.354 4.513 1.00 0.00 C ATOM 480 O LEU A 30 5.989 4.224 4.153 1.00 0.00 O ATOM 481 CB LEU A 30 4.474 6.979 5.003 1.00 0.00 C ATOM 482 CG LEU A 30 3.032 6.542 5.269 1.00 0.00 C ATOM 483 CD1 LEU A 30 2.098 7.742 5.244 1.00 0.00 C ATOM 484 CD2 LEU A 30 2.596 5.503 4.248 1.00 0.00 C ATOM 0 H LEU A 30 6.432 7.864 6.261 1.00 0.00 H new ATOM 0 HA LEU A 30 5.068 5.330 6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.608 7.990 5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.631 7.025 3.925 1.00 0.00 H new ATOM 0 HG LEU A 30 2.984 6.092 6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.077 7.412 5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.399 8.454 6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.148 8.221 4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.568 5.202 4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.659 5.928 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.248 4.632 4.314 1.00 0.00 H new ATOM 496 N LYS A 31 7.341 6.015 3.983 1.00 0.00 N ATOM 497 CA LYS A 31 8.154 5.436 2.921 1.00 0.00 C ATOM 498 C LYS A 31 8.797 4.130 3.378 1.00 0.00 C ATOM 499 O LYS A 31 9.013 3.219 2.578 1.00 0.00 O ATOM 500 CB LYS A 31 9.238 6.424 2.482 1.00 0.00 C ATOM 501 CG LYS A 31 8.695 7.793 2.102 1.00 0.00 C ATOM 502 CD LYS A 31 9.806 8.727 1.652 1.00 0.00 C ATOM 503 CE LYS A 31 9.821 8.890 0.139 1.00 0.00 C ATOM 504 NZ LYS A 31 11.190 8.720 -0.424 1.00 0.00 N ATOM 0 H LYS A 31 7.627 6.950 4.272 1.00 0.00 H new ATOM 0 HA LYS A 31 7.501 5.223 2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.961 6.540 3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.776 6.006 1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.962 7.686 1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.175 8.229 2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.676 9.702 2.122 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.768 8.338 1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.150 8.159 -0.312 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.440 9.877 -0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.158 8.838 -1.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.825 9.434 -0.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.544 7.769 -0.195 1.00 0.00 H new ATOM 518 N GLU A 32 9.099 4.045 4.671 1.00 0.00 N ATOM 519 CA GLU A 32 9.715 2.851 5.234 1.00 0.00 C ATOM 520 C GLU A 32 8.662 1.800 5.569 1.00 0.00 C ATOM 521 O GLU A 32 8.938 0.600 5.548 1.00 0.00 O ATOM 522 CB GLU A 32 10.516 3.206 6.489 1.00 0.00 C ATOM 523 CG GLU A 32 9.669 3.797 7.604 1.00 0.00 C ATOM 524 CD GLU A 32 10.259 3.548 8.977 1.00 0.00 C ATOM 525 OE1 GLU A 32 10.222 2.388 9.439 1.00 0.00 O ATOM 526 OE2 GLU A 32 10.758 4.513 9.593 1.00 0.00 O ATOM 0 H GLU A 32 8.927 4.789 5.347 1.00 0.00 H new ATOM 0 HA GLU A 32 10.391 2.436 4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.013 2.309 6.858 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.298 3.917 6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.565 4.871 7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.667 3.370 7.560 1.00 0.00 H new ATOM 533 N LEU A 33 7.453 2.258 5.877 1.00 0.00 N ATOM 534 CA LEU A 33 6.357 1.357 6.216 1.00 0.00 C ATOM 535 C LEU A 33 5.815 0.666 4.968 1.00 0.00 C ATOM 536 O LEU A 33 5.302 -0.451 5.038 1.00 0.00 O ATOM 537 CB LEU A 33 5.236 2.127 6.921 1.00 0.00 C ATOM 538 CG LEU A 33 5.190 1.957 8.439 1.00 0.00 C ATOM 539 CD1 LEU A 33 5.099 0.485 8.808 1.00 0.00 C ATOM 540 CD2 LEU A 33 6.412 2.595 9.082 1.00 0.00 C ATOM 0 H LEU A 33 7.207 3.248 5.899 1.00 0.00 H new ATOM 0 HA LEU A 33 6.741 0.593 6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.345 3.187 6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.280 1.808 6.506 1.00 0.00 H new ATOM 0 HG LEU A 33 4.300 2.460 8.816 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.067 0.383 9.893 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.194 0.057 8.377 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.970 -0.042 8.419 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.364 2.465 10.163 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.315 2.119 8.699 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.434 3.659 8.845 1.00 0.00 H new ATOM 552 N LEU A 34 5.929 1.338 3.827 1.00 0.00 N ATOM 553 CA LEU A 34 5.450 0.788 2.564 1.00 0.00 C ATOM 554 C LEU A 34 6.545 -0.016 1.867 1.00 0.00 C ATOM 555 O LEU A 34 6.264 -0.965 1.137 1.00 0.00 O ATOM 556 CB LEU A 34 4.965 1.910 1.645 1.00 0.00 C ATOM 557 CG LEU A 34 4.052 2.943 2.311 1.00 0.00 C ATOM 558 CD1 LEU A 34 4.243 4.312 1.677 1.00 0.00 C ATOM 559 CD2 LEU A 34 2.597 2.507 2.217 1.00 0.00 C ATOM 0 H LEU A 34 6.349 2.264 3.751 1.00 0.00 H new ATOM 0 HA LEU A 34 4.617 0.120 2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.834 2.425 1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.433 1.466 0.804 1.00 0.00 H new ATOM 0 HG LEU A 34 4.322 3.013 3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.586 5.033 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.280 4.627 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.001 4.258 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.962 3.253 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.314 2.408 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.471 1.548 2.719 1.00 0.00 H new ATOM 571 N GLU A 35 7.795 0.374 2.096 1.00 0.00 N ATOM 572 CA GLU A 35 8.934 -0.307 1.489 1.00 0.00 C ATOM 573 C GLU A 35 9.222 -1.640 2.179 1.00 0.00 C ATOM 574 O GLU A 35 9.981 -2.460 1.662 1.00 0.00 O ATOM 575 CB GLU A 35 10.175 0.585 1.545 1.00 0.00 C ATOM 576 CG GLU A 35 10.316 1.507 0.345 1.00 0.00 C ATOM 577 CD GLU A 35 11.591 2.327 0.388 1.00 0.00 C ATOM 578 OE1 GLU A 35 12.683 1.726 0.407 1.00 0.00 O ATOM 579 OE2 GLU A 35 11.493 3.573 0.403 1.00 0.00 O ATOM 0 H GLU A 35 8.045 1.159 2.698 1.00 0.00 H new ATOM 0 HA GLU A 35 8.682 -0.512 0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.139 1.187 2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.062 -0.045 1.615 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.301 0.913 -0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.458 2.178 0.304 1.00 0.00 H new ATOM 586 N THR A 36 8.616 -1.853 3.345 1.00 0.00 N ATOM 587 CA THR A 36 8.818 -3.089 4.094 1.00 0.00 C ATOM 588 C THR A 36 8.456 -4.307 3.251 1.00 0.00 C ATOM 589 O THR A 36 9.154 -5.321 3.274 1.00 0.00 O ATOM 590 CB THR A 36 7.983 -3.075 5.375 1.00 0.00 C ATOM 591 OG1 THR A 36 8.166 -4.274 6.106 1.00 0.00 O ATOM 592 CG2 THR A 36 6.500 -2.914 5.123 1.00 0.00 C ATOM 0 H THR A 36 7.983 -1.188 3.790 1.00 0.00 H new ATOM 0 HA THR A 36 9.874 -3.155 4.356 1.00 0.00 H new ATOM 0 HB THR A 36 8.335 -2.211 5.938 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.902 -4.132 7.039 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.967 -2.912 6.074 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.319 -1.973 4.604 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.143 -3.741 4.509 1.00 0.00 H new ATOM 600 N TYR A 37 7.361 -4.200 2.504 1.00 0.00 N ATOM 601 CA TYR A 37 6.907 -5.294 1.652 1.00 0.00 C ATOM 602 C TYR A 37 6.638 -6.551 2.474 1.00 0.00 C ATOM 603 O TYR A 37 7.001 -7.657 2.073 1.00 0.00 O ATOM 604 CB TYR A 37 7.946 -5.588 0.567 1.00 0.00 C ATOM 605 CG TYR A 37 8.077 -4.488 -0.461 1.00 0.00 C ATOM 606 CD1 TYR A 37 6.953 -3.861 -0.984 1.00 0.00 C ATOM 607 CD2 TYR A 37 9.326 -4.075 -0.909 1.00 0.00 C ATOM 608 CE1 TYR A 37 7.069 -2.855 -1.923 1.00 0.00 C ATOM 609 CE2 TYR A 37 9.450 -3.070 -1.850 1.00 0.00 C ATOM 610 CZ TYR A 37 8.318 -2.462 -2.353 1.00 0.00 C ATOM 611 OH TYR A 37 8.438 -1.462 -3.289 1.00 0.00 O ATOM 0 H TYR A 37 6.772 -3.368 2.471 1.00 0.00 H new ATOM 0 HA TYR A 37 5.974 -4.989 1.178 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.915 -5.750 1.039 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.678 -6.516 0.062 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.972 -4.165 -0.651 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.214 -4.547 -0.516 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.184 -2.378 -2.319 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.428 -2.762 -2.190 1.00 0.00 H new ATOM 0 HH TYR A 37 9.386 -1.306 -3.481 1.00 0.00 H new ATOM 621 N GLN A 38 6.004 -6.373 3.628 1.00 0.00 N ATOM 622 CA GLN A 38 5.687 -7.492 4.507 1.00 0.00 C ATOM 623 C GLN A 38 4.797 -8.508 3.799 1.00 0.00 C ATOM 624 O GLN A 38 5.067 -9.709 3.825 1.00 0.00 O ATOM 625 CB GLN A 38 4.998 -6.990 5.778 1.00 0.00 C ATOM 626 CG GLN A 38 5.952 -6.362 6.779 1.00 0.00 C ATOM 627 CD GLN A 38 5.433 -6.435 8.202 1.00 0.00 C ATOM 628 OE1 GLN A 38 4.445 -7.113 8.481 1.00 0.00 O ATOM 629 NE2 GLN A 38 6.101 -5.734 9.112 1.00 0.00 N ATOM 0 H GLN A 38 5.700 -5.464 3.976 1.00 0.00 H new ATOM 0 HA GLN A 38 6.621 -7.983 4.778 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.238 -6.258 5.504 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.481 -7.823 6.254 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.917 -6.866 6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.120 -5.319 6.510 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.915 -5.185 8.836 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.799 -5.745 10.086 1.00 0.00 H new ATOM 638 N ARG A 39 3.737 -8.018 3.164 1.00 0.00 N ATOM 639 CA ARG A 39 2.808 -8.885 2.446 1.00 0.00 C ATOM 640 C ARG A 39 2.875 -8.625 0.943 1.00 0.00 C ATOM 641 O ARG A 39 3.526 -7.680 0.496 1.00 0.00 O ATOM 642 CB ARG A 39 1.372 -8.686 2.949 1.00 0.00 C ATOM 643 CG ARG A 39 1.121 -7.335 3.605 1.00 0.00 C ATOM 644 CD ARG A 39 -0.350 -6.958 3.555 1.00 0.00 C ATOM 645 NE ARG A 39 -0.546 -5.511 3.599 1.00 0.00 N ATOM 646 CZ ARG A 39 -1.724 -4.930 3.815 1.00 0.00 C ATOM 647 NH1 ARG A 39 -2.812 -5.666 4.007 1.00 0.00 N ATOM 648 NH2 ARG A 39 -1.816 -3.607 3.838 1.00 0.00 N ATOM 0 H ARG A 39 3.500 -7.027 3.132 1.00 0.00 H new ATOM 0 HA ARG A 39 3.103 -9.917 2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.686 -8.803 2.110 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.137 -9.474 3.665 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.455 -7.365 4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.711 -6.569 3.102 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.796 -7.357 2.644 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.871 -7.420 4.393 1.00 0.00 H new ATOM 0 HE ARG A 39 0.267 -4.911 3.456 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.749 -6.684 3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.711 -5.214 4.172 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.984 -3.035 3.690 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.718 -3.161 4.003 1.00 0.00 H new ATOM 662 N PRO A 40 2.207 -9.470 0.138 1.00 0.00 N ATOM 663 CA PRO A 40 2.197 -9.334 -1.323 1.00 0.00 C ATOM 664 C PRO A 40 1.536 -8.037 -1.784 1.00 0.00 C ATOM 665 O PRO A 40 0.408 -8.044 -2.278 1.00 0.00 O ATOM 666 CB PRO A 40 1.382 -10.548 -1.799 1.00 0.00 C ATOM 667 CG PRO A 40 1.364 -11.487 -0.640 1.00 0.00 C ATOM 668 CD PRO A 40 1.416 -10.628 0.587 1.00 0.00 C ATOM 0 HA PRO A 40 3.208 -9.299 -1.729 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.371 -10.256 -2.085 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.839 -11.011 -2.673 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.463 -12.101 -0.649 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.214 -12.168 -0.676 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.420 -10.334 0.918 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.890 -11.143 1.422 1.00 0.00 H new ATOM 676 N PHE A 41 2.244 -6.923 -1.622 1.00 0.00 N ATOM 677 CA PHE A 41 1.723 -5.623 -2.027 1.00 0.00 C ATOM 678 C PHE A 41 2.815 -4.772 -2.668 1.00 0.00 C ATOM 679 O PHE A 41 3.997 -4.928 -2.364 1.00 0.00 O ATOM 680 CB PHE A 41 1.117 -4.890 -0.825 1.00 0.00 C ATOM 681 CG PHE A 41 2.140 -4.315 0.116 1.00 0.00 C ATOM 682 CD1 PHE A 41 2.625 -5.064 1.174 1.00 0.00 C ATOM 683 CD2 PHE A 41 2.612 -3.025 -0.061 1.00 0.00 C ATOM 684 CE1 PHE A 41 3.565 -4.539 2.040 1.00 0.00 C ATOM 685 CE2 PHE A 41 3.552 -2.492 0.802 1.00 0.00 C ATOM 686 CZ PHE A 41 4.029 -3.251 1.854 1.00 0.00 C ATOM 0 H PHE A 41 3.178 -6.895 -1.214 1.00 0.00 H new ATOM 0 HA PHE A 41 0.941 -5.790 -2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.478 -4.085 -1.187 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.479 -5.581 -0.274 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.264 -6.071 1.324 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.242 -2.429 -0.882 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.936 -5.134 2.861 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.913 -1.485 0.654 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.763 -2.838 2.530 1.00 0.00 H new ATOM 696 N LYS A 42 2.409 -3.868 -3.553 1.00 0.00 N ATOM 697 CA LYS A 42 3.350 -2.985 -4.233 1.00 0.00 C ATOM 698 C LYS A 42 2.827 -1.553 -4.252 1.00 0.00 C ATOM 699 O LYS A 42 1.640 -1.314 -4.037 1.00 0.00 O ATOM 700 CB LYS A 42 3.595 -3.472 -5.662 1.00 0.00 C ATOM 701 CG LYS A 42 4.506 -4.686 -5.744 1.00 0.00 C ATOM 702 CD LYS A 42 4.622 -5.202 -7.169 1.00 0.00 C ATOM 703 CE LYS A 42 6.039 -5.655 -7.485 1.00 0.00 C ATOM 704 NZ LYS A 42 6.057 -6.948 -8.223 1.00 0.00 N ATOM 0 H LYS A 42 1.434 -3.727 -3.817 1.00 0.00 H new ATOM 0 HA LYS A 42 4.293 -3.003 -3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.638 -3.715 -6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.032 -2.660 -6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.496 -4.425 -5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.119 -5.476 -5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.933 -6.034 -7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.326 -4.418 -7.866 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.540 -4.891 -8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.602 -5.758 -6.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.041 -7.222 -8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.601 -7.683 -7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.541 -6.843 -9.120 1.00 0.00 H new ATOM 718 N LEU A 43 3.720 -0.602 -4.508 1.00 0.00 N ATOM 719 CA LEU A 43 3.340 0.804 -4.551 1.00 0.00 C ATOM 720 C LEU A 43 4.056 1.528 -5.686 1.00 0.00 C ATOM 721 O LEU A 43 5.277 1.446 -5.814 1.00 0.00 O ATOM 722 CB LEU A 43 3.660 1.485 -3.220 1.00 0.00 C ATOM 723 CG LEU A 43 2.592 1.322 -2.136 1.00 0.00 C ATOM 724 CD1 LEU A 43 2.987 0.225 -1.159 1.00 0.00 C ATOM 725 CD2 LEU A 43 2.371 2.637 -1.401 1.00 0.00 C ATOM 0 H LEU A 43 4.708 -0.779 -4.688 1.00 0.00 H new ATOM 0 HA LEU A 43 2.266 0.855 -4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.602 1.087 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.813 2.549 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 43 1.656 1.035 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.216 0.123 -0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.094 -0.718 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.935 0.483 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.608 2.501 -0.634 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.303 2.954 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.043 3.399 -2.108 1.00 0.00 H new ATOM 737 N GLU A 44 3.288 2.242 -6.502 1.00 0.00 N ATOM 738 CA GLU A 44 3.854 2.988 -7.618 1.00 0.00 C ATOM 739 C GLU A 44 4.004 4.461 -7.256 1.00 0.00 C ATOM 740 O GLU A 44 3.074 5.249 -7.420 1.00 0.00 O ATOM 741 CB GLU A 44 2.980 2.836 -8.865 1.00 0.00 C ATOM 742 CG GLU A 44 2.496 1.414 -9.102 1.00 0.00 C ATOM 743 CD GLU A 44 3.016 0.829 -10.402 1.00 0.00 C ATOM 744 OE1 GLU A 44 4.238 0.918 -10.644 1.00 0.00 O ATOM 745 OE2 GLU A 44 2.200 0.284 -11.175 1.00 0.00 O ATOM 0 H GLU A 44 2.275 2.319 -6.411 1.00 0.00 H new ATOM 0 HA GLU A 44 4.842 2.581 -7.834 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.116 3.494 -8.775 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.544 3.168 -9.736 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.813 0.783 -8.272 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.406 1.402 -9.113 1.00 0.00 H new ATOM 752 N PHE A 45 5.180 4.822 -6.757 1.00 0.00 N ATOM 753 CA PHE A 45 5.452 6.200 -6.361 1.00 0.00 C ATOM 754 C PHE A 45 5.293 7.148 -7.545 1.00 0.00 C ATOM 755 O PHE A 45 6.042 7.077 -8.518 1.00 0.00 O ATOM 756 CB PHE A 45 6.865 6.324 -5.784 1.00 0.00 C ATOM 757 CG PHE A 45 7.258 5.183 -4.886 1.00 0.00 C ATOM 758 CD1 PHE A 45 6.342 4.625 -4.009 1.00 0.00 C ATOM 759 CD2 PHE A 45 8.544 4.672 -4.919 1.00 0.00 C ATOM 760 CE1 PHE A 45 6.701 3.576 -3.183 1.00 0.00 C ATOM 761 CE2 PHE A 45 8.911 3.624 -4.096 1.00 0.00 C ATOM 762 CZ PHE A 45 7.988 3.075 -3.226 1.00 0.00 C ATOM 0 H PHE A 45 5.961 4.181 -6.617 1.00 0.00 H new ATOM 0 HA PHE A 45 4.729 6.476 -5.594 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.578 6.389 -6.606 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.938 7.256 -5.224 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.335 5.014 -3.970 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.270 5.098 -5.596 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.977 3.149 -2.505 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.918 3.235 -4.133 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.272 2.256 -2.581 1.00 0.00 H new ATOM 772 N LYS A 46 4.308 8.037 -7.452 1.00 0.00 N ATOM 773 CA LYS A 46 4.045 9.001 -8.512 1.00 0.00 C ATOM 774 C LYS A 46 5.142 10.058 -8.571 1.00 0.00 C ATOM 775 O LYS A 46 5.514 10.524 -9.648 1.00 0.00 O ATOM 776 CB LYS A 46 2.686 9.672 -8.292 1.00 0.00 C ATOM 777 CG LYS A 46 1.504 8.763 -8.588 1.00 0.00 C ATOM 778 CD LYS A 46 1.237 8.663 -10.081 1.00 0.00 C ATOM 779 CE LYS A 46 0.003 9.457 -10.486 1.00 0.00 C ATOM 780 NZ LYS A 46 -1.042 8.589 -11.097 1.00 0.00 N ATOM 0 H LYS A 46 3.679 8.108 -6.652 1.00 0.00 H new ATOM 0 HA LYS A 46 4.030 8.465 -9.461 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.622 10.013 -7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.620 10.557 -8.925 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.698 7.769 -8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.616 9.144 -8.083 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.103 9.031 -10.631 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.104 7.617 -10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.409 9.959 -9.610 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.288 10.235 -11.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.865 9.168 -11.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.658 8.129 -11.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.334 7.862 -10.412 1.00 0.00 H new ATOM 794 N ASN A 47 5.660 10.430 -7.405 1.00 0.00 N ATOM 795 CA ASN A 47 6.719 11.430 -7.322 1.00 0.00 C ATOM 796 C ASN A 47 7.862 10.939 -6.439 1.00 0.00 C ATOM 797 O ASN A 47 7.840 9.808 -5.951 1.00 0.00 O ATOM 798 CB ASN A 47 6.164 12.745 -6.773 1.00 0.00 C ATOM 799 CG ASN A 47 5.472 12.569 -5.435 1.00 0.00 C ATOM 800 OD1 ASN A 47 4.591 11.721 -5.287 1.00 0.00 O ATOM 801 ND2 ASN A 47 5.867 13.371 -4.453 1.00 0.00 N ATOM 0 H ASN A 47 5.364 10.054 -6.504 1.00 0.00 H new ATOM 0 HA ASN A 47 7.106 11.598 -8.327 1.00 0.00 H new ATOM 0 HB2 ASN A 47 6.977 13.463 -6.666 1.00 0.00 H new ATOM 0 HB3 ASN A 47 5.460 13.166 -7.490 1.00 0.00 H new ATOM 0 HD21 ASN A 47 5.437 13.299 -3.531 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.601 14.059 -4.621 1.00 0.00 H new ATOM 808 N THR A 48 8.859 11.794 -6.237 1.00 0.00 N ATOM 809 CA THR A 48 10.010 11.445 -5.412 1.00 0.00 C ATOM 810 C THR A 48 10.023 12.257 -4.123 1.00 0.00 C ATOM 811 O THR A 48 9.652 11.759 -3.059 1.00 0.00 O ATOM 812 CB THR A 48 11.308 11.676 -6.189 1.00 0.00 C ATOM 813 OG1 THR A 48 11.298 12.945 -6.817 1.00 0.00 O ATOM 814 CG2 THR A 48 11.556 10.635 -7.261 1.00 0.00 C ATOM 0 H THR A 48 8.893 12.733 -6.633 1.00 0.00 H new ATOM 0 HA THR A 48 9.933 10.389 -5.152 1.00 0.00 H new ATOM 0 HB THR A 48 12.104 11.609 -5.448 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.056 13.476 -6.495 1.00 0.00 H new ATOM 0 HG21 THR A 48 12.492 10.857 -7.774 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.619 9.648 -6.802 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.736 10.650 -7.979 1.00 0.00 H new ATOM 822 N SER A 49 10.453 13.508 -4.224 1.00 0.00 N ATOM 823 CA SER A 49 10.515 14.393 -3.067 1.00 0.00 C ATOM 824 C SER A 49 10.368 15.852 -3.488 1.00 0.00 C ATOM 825 O SER A 49 10.926 16.750 -2.855 1.00 0.00 O ATOM 826 CB SER A 49 11.837 14.198 -2.320 1.00 0.00 C ATOM 827 OG SER A 49 12.908 13.999 -3.225 1.00 0.00 O ATOM 0 H SER A 49 10.765 13.934 -5.097 1.00 0.00 H new ATOM 0 HA SER A 49 9.688 14.140 -2.403 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.039 15.070 -1.698 1.00 0.00 H new ATOM 0 HB3 SER A 49 11.758 13.341 -1.651 1.00 0.00 H new ATOM 0 HG SER A 49 13.742 13.879 -2.724 1.00 0.00 H new ATOM 833 N LYS A 50 9.614 16.080 -4.559 1.00 0.00 N ATOM 834 CA LYS A 50 9.393 17.430 -5.064 1.00 0.00 C ATOM 835 C LYS A 50 8.046 17.971 -4.597 1.00 0.00 C ATOM 836 O LYS A 50 7.954 19.097 -4.106 1.00 0.00 O ATOM 837 CB LYS A 50 9.461 17.444 -6.591 1.00 0.00 C ATOM 838 CG LYS A 50 10.733 16.826 -7.149 1.00 0.00 C ATOM 839 CD LYS A 50 11.964 17.608 -6.723 1.00 0.00 C ATOM 840 CE LYS A 50 13.183 17.214 -7.542 1.00 0.00 C ATOM 841 NZ LYS A 50 14.045 16.237 -6.820 1.00 0.00 N ATOM 0 H LYS A 50 9.146 15.348 -5.093 1.00 0.00 H new ATOM 0 HA LYS A 50 10.179 18.073 -4.668 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.601 16.906 -6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.384 18.474 -6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.819 15.795 -6.806 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.678 16.797 -8.237 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.776 18.676 -6.838 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.161 17.431 -5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.860 16.782 -8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.764 18.105 -7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.865 15.994 -7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.374 16.658 -5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.498 15.376 -6.616 1.00 0.00 H new ATOM 855 N ASN A 51 7.003 17.163 -4.756 1.00 0.00 N ATOM 856 CA ASN A 51 5.659 17.561 -4.352 1.00 0.00 C ATOM 857 C ASN A 51 5.524 17.550 -2.832 1.00 0.00 C ATOM 858 O ASN A 51 4.855 16.686 -2.263 1.00 0.00 O ATOM 859 CB ASN A 51 4.620 16.628 -4.978 1.00 0.00 C ATOM 860 CG ASN A 51 4.012 17.206 -6.241 1.00 0.00 C ATOM 861 OD1 ASN A 51 4.441 16.890 -7.351 1.00 0.00 O ATOM 862 ND2 ASN A 51 3.009 18.060 -6.079 1.00 0.00 N ATOM 0 H ASN A 51 7.062 16.229 -5.162 1.00 0.00 H new ATOM 0 HA ASN A 51 5.483 18.577 -4.706 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.087 15.670 -5.208 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.829 16.431 -4.254 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.562 18.482 -6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.685 18.294 -5.141 1.00 0.00 H new ATOM 869 N ALA A 52 6.163 18.516 -2.179 1.00 0.00 N ATOM 870 CA ALA A 52 6.114 18.618 -0.727 1.00 0.00 C ATOM 871 C ALA A 52 4.690 18.868 -0.239 1.00 0.00 C ATOM 872 O ALA A 52 4.334 18.496 0.879 1.00 0.00 O ATOM 873 CB ALA A 52 7.040 19.725 -0.246 1.00 0.00 C ATOM 0 H ALA A 52 6.721 19.239 -2.634 1.00 0.00 H new ATOM 0 HA ALA A 52 6.450 17.669 -0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.994 19.791 0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.062 19.504 -0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.728 20.675 -0.681 1.00 0.00 H new ATOM 879 N LYS A 53 3.881 19.500 -1.082 1.00 0.00 N ATOM 880 CA LYS A 53 2.498 19.798 -0.734 1.00 0.00 C ATOM 881 C LYS A 53 1.678 18.518 -0.605 1.00 0.00 C ATOM 882 O LYS A 53 1.142 18.216 0.460 1.00 0.00 O ATOM 883 CB LYS A 53 1.872 20.718 -1.787 1.00 0.00 C ATOM 884 CG LYS A 53 1.708 22.155 -1.318 1.00 0.00 C ATOM 885 CD LYS A 53 1.584 23.113 -2.490 1.00 0.00 C ATOM 886 CE LYS A 53 0.616 24.243 -2.187 1.00 0.00 C ATOM 887 NZ LYS A 53 0.350 25.085 -3.387 1.00 0.00 N ATOM 0 H LYS A 53 4.160 19.816 -2.011 1.00 0.00 H new ATOM 0 HA LYS A 53 2.494 20.306 0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.492 20.705 -2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.896 20.323 -2.069 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.823 22.234 -0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.563 22.438 -0.704 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.564 23.526 -2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.245 22.569 -3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.323 23.828 -1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.023 24.865 -1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.315 25.845 -3.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.242 25.502 -3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.062 24.497 -4.139 1.00 0.00 H new ATOM 901 N PHE A 54 1.586 17.767 -1.699 1.00 0.00 N ATOM 902 CA PHE A 54 0.831 16.519 -1.707 1.00 0.00 C ATOM 903 C PHE A 54 1.663 15.382 -2.285 1.00 0.00 C ATOM 904 O PHE A 54 2.018 15.394 -3.463 1.00 0.00 O ATOM 905 CB PHE A 54 -0.462 16.678 -2.514 1.00 0.00 C ATOM 906 CG PHE A 54 -1.123 18.016 -2.339 1.00 0.00 C ATOM 907 CD1 PHE A 54 -1.317 18.550 -1.075 1.00 0.00 C ATOM 908 CD2 PHE A 54 -1.554 18.739 -3.440 1.00 0.00 C ATOM 909 CE1 PHE A 54 -1.924 19.779 -0.912 1.00 0.00 C ATOM 910 CE2 PHE A 54 -2.163 19.969 -3.283 1.00 0.00 C ATOM 911 CZ PHE A 54 -2.349 20.491 -2.016 1.00 0.00 C ATOM 0 H PHE A 54 2.024 18.001 -2.590 1.00 0.00 H new ATOM 0 HA PHE A 54 0.579 16.275 -0.675 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.241 16.527 -3.571 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.162 15.896 -2.220 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.989 17.998 -0.207 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.412 18.336 -4.432 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.066 20.184 0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.494 20.523 -4.149 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.825 21.452 -1.890 1.00 0.00 H new ATOM 921 N TYR A 55 1.967 14.396 -1.447 1.00 0.00 N ATOM 922 CA TYR A 55 2.752 13.250 -1.879 1.00 0.00 C ATOM 923 C TYR A 55 1.848 12.163 -2.447 1.00 0.00 C ATOM 924 O TYR A 55 1.106 11.511 -1.714 1.00 0.00 O ATOM 925 CB TYR A 55 3.567 12.693 -0.711 1.00 0.00 C ATOM 926 CG TYR A 55 4.662 13.621 -0.237 1.00 0.00 C ATOM 927 CD1 TYR A 55 4.363 14.761 0.500 1.00 0.00 C ATOM 928 CD2 TYR A 55 5.996 13.358 -0.528 1.00 0.00 C ATOM 929 CE1 TYR A 55 5.362 15.611 0.933 1.00 0.00 C ATOM 930 CE2 TYR A 55 6.999 14.205 -0.098 1.00 0.00 C ATOM 931 CZ TYR A 55 6.678 15.329 0.633 1.00 0.00 C ATOM 932 OH TYR A 55 7.675 16.174 1.063 1.00 0.00 O ATOM 0 H TYR A 55 1.682 14.369 -0.468 1.00 0.00 H new ATOM 0 HA TYR A 55 3.435 13.580 -2.662 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.895 12.483 0.121 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.011 11.744 -1.010 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.334 14.986 0.738 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.252 12.478 -1.099 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.113 16.493 1.504 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.030 13.988 -0.333 1.00 0.00 H new ATOM 0 HH TYR A 55 8.544 15.831 0.769 1.00 0.00 H new ATOM 942 N SER A 56 1.916 11.977 -3.758 1.00 0.00 N ATOM 943 CA SER A 56 1.102 10.972 -4.431 1.00 0.00 C ATOM 944 C SER A 56 1.783 9.607 -4.410 1.00 0.00 C ATOM 945 O SER A 56 2.952 9.479 -4.777 1.00 0.00 O ATOM 946 CB SER A 56 0.825 11.394 -5.875 1.00 0.00 C ATOM 947 OG SER A 56 0.015 12.557 -5.920 1.00 0.00 O ATOM 0 H SER A 56 2.527 12.509 -4.378 1.00 0.00 H new ATOM 0 HA SER A 56 0.157 10.891 -3.893 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.767 11.583 -6.389 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.330 10.581 -6.406 1.00 0.00 H new ATOM 0 HG SER A 56 -0.146 12.807 -6.854 1.00 0.00 H new ATOM 953 N PHE A 57 1.043 8.589 -3.981 1.00 0.00 N ATOM 954 CA PHE A 57 1.571 7.231 -3.914 1.00 0.00 C ATOM 955 C PHE A 57 0.498 6.215 -4.294 1.00 0.00 C ATOM 956 O PHE A 57 -0.625 6.269 -3.793 1.00 0.00 O ATOM 957 CB PHE A 57 2.094 6.933 -2.509 1.00 0.00 C ATOM 958 CG PHE A 57 3.487 7.443 -2.265 1.00 0.00 C ATOM 959 CD1 PHE A 57 3.728 8.798 -2.123 1.00 0.00 C ATOM 960 CD2 PHE A 57 4.554 6.562 -2.181 1.00 0.00 C ATOM 961 CE1 PHE A 57 5.009 9.269 -1.899 1.00 0.00 C ATOM 962 CE2 PHE A 57 5.837 7.026 -1.957 1.00 0.00 C ATOM 963 CZ PHE A 57 6.064 8.381 -1.816 1.00 0.00 C ATOM 0 H PHE A 57 0.074 8.679 -3.674 1.00 0.00 H new ATOM 0 HA PHE A 57 2.394 7.151 -4.624 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.420 7.378 -1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.076 5.856 -2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.906 9.496 -2.188 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.381 5.502 -2.292 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.184 10.329 -1.789 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.660 6.330 -1.892 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.065 8.746 -1.641 1.00 0.00 H new ATOM 973 N ASN A 58 0.848 5.290 -5.183 1.00 0.00 N ATOM 974 CA ASN A 58 -0.090 4.265 -5.626 1.00 0.00 C ATOM 975 C ASN A 58 0.098 2.978 -4.827 1.00 0.00 C ATOM 976 O ASN A 58 1.136 2.773 -4.199 1.00 0.00 O ATOM 977 CB ASN A 58 0.090 3.988 -7.120 1.00 0.00 C ATOM 978 CG ASN A 58 -1.000 4.626 -7.960 1.00 0.00 C ATOM 979 OD1 ASN A 58 -2.159 4.688 -7.551 1.00 0.00 O ATOM 980 ND2 ASN A 58 -0.630 5.104 -9.144 1.00 0.00 N ATOM 0 H ASN A 58 1.772 5.230 -5.610 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.102 4.633 -5.455 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.061 4.364 -7.442 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.093 2.911 -7.290 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.319 5.544 -9.754 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.343 5.031 -9.442 1.00 0.00 H new ATOM 987 N VAL A 59 -0.913 2.115 -4.852 1.00 0.00 N ATOM 988 CA VAL A 59 -0.852 0.854 -4.123 1.00 0.00 C ATOM 989 C VAL A 59 -1.456 -0.290 -4.931 1.00 0.00 C ATOM 990 O VAL A 59 -2.659 -0.317 -5.186 1.00 0.00 O ATOM 991 CB VAL A 59 -1.587 0.948 -2.773 1.00 0.00 C ATOM 992 CG1 VAL A 59 -1.227 -0.233 -1.886 1.00 0.00 C ATOM 993 CG2 VAL A 59 -1.269 2.263 -2.078 1.00 0.00 C ATOM 0 H VAL A 59 -1.781 2.265 -5.367 1.00 0.00 H new ATOM 0 HA VAL A 59 0.204 0.651 -3.946 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.660 0.917 -2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.756 -0.149 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.514 -1.161 -2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.152 -0.237 -1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.798 2.309 -1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.196 2.330 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.585 3.094 -2.709 1.00 0.00 H new ATOM 1003 N SER A 60 -0.610 -1.239 -5.321 1.00 0.00 N ATOM 1004 CA SER A 60 -1.055 -2.394 -6.090 1.00 0.00 C ATOM 1005 C SER A 60 -1.076 -3.639 -5.209 1.00 0.00 C ATOM 1006 O SER A 60 -0.036 -4.243 -4.944 1.00 0.00 O ATOM 1007 CB SER A 60 -0.135 -2.618 -7.294 1.00 0.00 C ATOM 1008 OG SER A 60 -0.726 -2.129 -8.485 1.00 0.00 O ATOM 0 H SER A 60 0.389 -1.230 -5.116 1.00 0.00 H new ATOM 0 HA SER A 60 -2.065 -2.202 -6.451 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.818 -2.117 -7.125 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.078 -3.682 -7.400 1.00 0.00 H new ATOM 0 HG SER A 60 -0.772 -1.151 -8.450 1.00 0.00 H new ATOM 1014 N MET A 61 -2.265 -4.013 -4.749 1.00 0.00 N ATOM 1015 CA MET A 61 -2.416 -5.182 -3.888 1.00 0.00 C ATOM 1016 C MET A 61 -3.369 -6.201 -4.503 1.00 0.00 C ATOM 1017 O MET A 61 -4.284 -5.845 -5.244 1.00 0.00 O ATOM 1018 CB MET A 61 -2.925 -4.758 -2.508 1.00 0.00 C ATOM 1019 CG MET A 61 -3.092 -5.915 -1.537 1.00 0.00 C ATOM 1020 SD MET A 61 -2.645 -5.473 0.153 1.00 0.00 S ATOM 1021 CE MET A 61 -3.541 -6.719 1.078 1.00 0.00 C ATOM 0 H MET A 61 -3.137 -3.526 -4.957 1.00 0.00 H new ATOM 0 HA MET A 61 -1.438 -5.651 -3.783 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.231 -4.034 -2.081 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.883 -4.251 -2.624 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.127 -6.255 -1.558 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.475 -6.752 -1.865 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.224 -6.234 1.775 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.110 -7.344 0.390 1.00 0.00 H new ATOM 0 HE3 MET A 61 -2.836 -7.338 1.632 1.00 0.00 H new ATOM 1031 N GLU A 62 -3.146 -7.473 -4.187 1.00 0.00 N ATOM 1032 CA GLU A 62 -3.982 -8.550 -4.704 1.00 0.00 C ATOM 1033 C GLU A 62 -5.374 -8.500 -4.080 1.00 0.00 C ATOM 1034 O GLU A 62 -5.575 -8.956 -2.955 1.00 0.00 O ATOM 1035 CB GLU A 62 -3.331 -9.907 -4.428 1.00 0.00 C ATOM 1036 CG GLU A 62 -2.668 -10.523 -5.649 1.00 0.00 C ATOM 1037 CD GLU A 62 -2.430 -12.012 -5.493 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -2.403 -12.490 -4.340 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -2.273 -12.700 -6.523 1.00 0.00 O ATOM 0 H GLU A 62 -2.392 -7.783 -3.574 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.081 -8.418 -5.781 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.586 -9.790 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.088 -10.594 -4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.293 -10.348 -6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.717 -10.024 -5.832 1.00 0.00 H new ATOM 1046 N VAL A 63 -6.327 -7.945 -4.818 1.00 0.00 N ATOM 1047 CA VAL A 63 -7.699 -7.837 -4.339 1.00 0.00 C ATOM 1048 C VAL A 63 -8.496 -9.093 -4.671 1.00 0.00 C ATOM 1049 O VAL A 63 -8.401 -9.625 -5.777 1.00 0.00 O ATOM 1050 CB VAL A 63 -8.409 -6.612 -4.945 1.00 0.00 C ATOM 1051 CG1 VAL A 63 -9.809 -6.460 -4.370 1.00 0.00 C ATOM 1052 CG2 VAL A 63 -7.590 -5.354 -4.711 1.00 0.00 C ATOM 0 H VAL A 63 -6.175 -7.562 -5.751 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.650 -7.719 -3.257 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.502 -6.766 -6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.291 -5.588 -4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.394 -7.352 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.746 -6.331 -3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.106 -4.498 -5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.464 -5.196 -3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.612 -5.464 -5.179 1.00 0.00 H new ATOM 1062 N SER A 64 -9.282 -9.557 -3.705 1.00 0.00 N ATOM 1063 CA SER A 64 -10.101 -10.749 -3.887 1.00 0.00 C ATOM 1064 C SER A 64 -11.576 -10.381 -4.010 1.00 0.00 C ATOM 1065 O SER A 64 -12.340 -11.058 -4.699 1.00 0.00 O ATOM 1066 CB SER A 64 -9.904 -11.714 -2.714 1.00 0.00 C ATOM 1067 OG SER A 64 -10.681 -12.887 -2.880 1.00 0.00 O ATOM 0 H SER A 64 -9.369 -9.124 -2.786 1.00 0.00 H new ATOM 0 HA SER A 64 -9.786 -11.237 -4.809 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.850 -11.981 -2.632 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.181 -11.220 -1.783 1.00 0.00 H new ATOM 0 HG SER A 64 -10.535 -13.486 -2.118 1.00 0.00 H new ATOM 1073 N ASN A 65 -11.970 -9.304 -3.338 1.00 0.00 N ATOM 1074 CA ASN A 65 -13.353 -8.844 -3.368 1.00 0.00 C ATOM 1075 C ASN A 65 -13.516 -7.551 -2.575 1.00 0.00 C ATOM 1076 O ASN A 65 -12.533 -6.958 -2.130 1.00 0.00 O ATOM 1077 CB ASN A 65 -14.285 -9.925 -2.809 1.00 0.00 C ATOM 1078 CG ASN A 65 -14.092 -10.150 -1.320 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -14.995 -9.897 -0.521 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -12.911 -10.626 -0.938 1.00 0.00 N ATOM 0 H ASN A 65 -11.349 -8.733 -2.765 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.621 -8.645 -4.406 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.320 -9.640 -2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.109 -10.861 -3.340 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.725 -10.795 0.050 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.191 -10.822 -1.633 1.00 0.00 H new ATOM 1087 N GLU A 66 -14.762 -7.117 -2.401 1.00 0.00 N ATOM 1088 CA GLU A 66 -15.048 -5.894 -1.659 1.00 0.00 C ATOM 1089 C GLU A 66 -14.482 -5.967 -0.245 1.00 0.00 C ATOM 1090 O GLU A 66 -14.078 -4.953 0.325 1.00 0.00 O ATOM 1091 CB GLU A 66 -16.556 -5.645 -1.602 1.00 0.00 C ATOM 1092 CG GLU A 66 -17.346 -6.807 -1.020 1.00 0.00 C ATOM 1093 CD GLU A 66 -18.843 -6.628 -1.170 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -19.319 -5.480 -1.043 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -19.540 -7.635 -1.413 1.00 0.00 O ATOM 0 H GLU A 66 -15.588 -7.594 -2.763 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.569 -5.066 -2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.746 -4.753 -1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.919 -5.438 -2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.043 -7.731 -1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.101 -6.915 0.037 1.00 0.00 H new ATOM 1102 N SER A 67 -14.453 -7.172 0.315 1.00 0.00 N ATOM 1103 CA SER A 67 -13.933 -7.377 1.662 1.00 0.00 C ATOM 1104 C SER A 67 -12.502 -6.861 1.774 1.00 0.00 C ATOM 1105 O SER A 67 -12.185 -6.061 2.655 1.00 0.00 O ATOM 1106 CB SER A 67 -13.985 -8.859 2.033 1.00 0.00 C ATOM 1107 OG SER A 67 -15.307 -9.262 2.344 1.00 0.00 O ATOM 0 H SER A 67 -14.783 -8.021 -0.143 1.00 0.00 H new ATOM 0 HA SER A 67 -14.559 -6.816 2.356 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.605 -9.458 1.205 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.334 -9.046 2.887 1.00 0.00 H new ATOM 0 HG SER A 67 -15.735 -9.627 1.541 1.00 0.00 H new ATOM 1113 N GLU A 68 -11.640 -7.317 0.871 1.00 0.00 N ATOM 1114 CA GLU A 68 -10.247 -6.894 0.871 1.00 0.00 C ATOM 1115 C GLU A 68 -10.148 -5.400 0.590 1.00 0.00 C ATOM 1116 O GLU A 68 -9.503 -4.664 1.333 1.00 0.00 O ATOM 1117 CB GLU A 68 -9.432 -7.672 -0.168 1.00 0.00 C ATOM 1118 CG GLU A 68 -9.847 -9.130 -0.317 1.00 0.00 C ATOM 1119 CD GLU A 68 -9.919 -9.856 1.012 1.00 0.00 C ATOM 1120 OE1 GLU A 68 -10.895 -9.631 1.760 1.00 0.00 O ATOM 1121 OE2 GLU A 68 -9.002 -10.652 1.305 1.00 0.00 O ATOM 0 H GLU A 68 -11.882 -7.978 0.132 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.835 -7.103 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.528 -7.177 -1.134 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.378 -7.631 0.108 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.820 -9.179 -0.806 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.137 -9.641 -0.968 1.00 0.00 H new ATOM 1128 N ARG A 69 -10.793 -4.961 -0.489 1.00 0.00 N ATOM 1129 CA ARG A 69 -10.785 -3.551 -0.880 1.00 0.00 C ATOM 1130 C ARG A 69 -10.961 -2.633 0.328 1.00 0.00 C ATOM 1131 O ARG A 69 -10.353 -1.565 0.402 1.00 0.00 O ATOM 1132 CB ARG A 69 -11.890 -3.279 -1.903 1.00 0.00 C ATOM 1133 CG ARG A 69 -11.553 -2.165 -2.881 1.00 0.00 C ATOM 1134 CD ARG A 69 -12.798 -1.649 -3.585 1.00 0.00 C ATOM 1135 NE ARG A 69 -13.697 -0.953 -2.668 1.00 0.00 N ATOM 1136 CZ ARG A 69 -14.864 -0.426 -3.030 1.00 0.00 C ATOM 1137 NH1 ARG A 69 -15.278 -0.513 -4.288 1.00 0.00 N ATOM 1138 NH2 ARG A 69 -15.620 0.190 -2.131 1.00 0.00 N ATOM 0 H ARG A 69 -11.331 -5.564 -1.111 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.815 -3.338 -1.329 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.090 -4.193 -2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.808 -3.022 -1.374 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.068 -1.346 -2.349 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.841 -2.531 -3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -12.506 -0.973 -4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.326 -2.484 -4.046 1.00 0.00 H new ATOM 0 HE ARG A 69 -13.413 -0.866 -1.692 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -14.701 -0.986 -4.983 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -16.174 -0.107 -4.559 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -15.307 0.260 -1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -16.515 0.594 -2.408 1.00 0.00 H new ATOM 1152 N ASN A 70 -11.793 -3.057 1.272 1.00 0.00 N ATOM 1153 CA ASN A 70 -12.044 -2.272 2.476 1.00 0.00 C ATOM 1154 C ASN A 70 -10.874 -2.386 3.449 1.00 0.00 C ATOM 1155 O ASN A 70 -10.595 -1.460 4.211 1.00 0.00 O ATOM 1156 CB ASN A 70 -13.338 -2.732 3.151 1.00 0.00 C ATOM 1157 CG ASN A 70 -14.328 -1.601 3.335 1.00 0.00 C ATOM 1158 OD1 ASN A 70 -14.578 -1.153 4.454 1.00 0.00 O ATOM 1159 ND2 ASN A 70 -14.901 -1.133 2.232 1.00 0.00 N ATOM 0 H ASN A 70 -12.305 -3.938 1.228 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.151 -1.227 2.186 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.797 -3.519 2.552 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.103 -3.167 4.122 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.578 -0.372 2.292 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.664 -1.534 1.325 1.00 0.00 H new ATOM 1166 N GLU A 71 -10.191 -3.526 3.415 1.00 0.00 N ATOM 1167 CA GLU A 71 -9.051 -3.763 4.289 1.00 0.00 C ATOM 1168 C GLU A 71 -7.781 -3.136 3.718 1.00 0.00 C ATOM 1169 O GLU A 71 -6.921 -2.666 4.461 1.00 0.00 O ATOM 1170 CB GLU A 71 -8.844 -5.266 4.492 1.00 0.00 C ATOM 1171 CG GLU A 71 -8.503 -5.645 5.925 1.00 0.00 C ATOM 1172 CD GLU A 71 -9.728 -6.020 6.736 1.00 0.00 C ATOM 1173 OE1 GLU A 71 -10.623 -6.694 6.182 1.00 0.00 O ATOM 1174 OE2 GLU A 71 -9.794 -5.639 7.923 1.00 0.00 O ATOM 0 H GLU A 71 -10.409 -4.301 2.789 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.261 -3.296 5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.749 -5.793 4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.044 -5.606 3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.805 -6.482 5.919 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.995 -4.810 6.407 1.00 0.00 H new ATOM 1181 N ILE A 72 -7.670 -3.129 2.390 1.00 0.00 N ATOM 1182 CA ILE A 72 -6.503 -2.557 1.727 1.00 0.00 C ATOM 1183 C ILE A 72 -6.495 -1.035 1.836 1.00 0.00 C ATOM 1184 O ILE A 72 -5.437 -0.407 1.798 1.00 0.00 O ATOM 1185 CB ILE A 72 -6.440 -2.945 0.234 1.00 0.00 C ATOM 1186 CG1 ILE A 72 -6.794 -4.424 0.041 1.00 0.00 C ATOM 1187 CG2 ILE A 72 -5.057 -2.646 -0.332 1.00 0.00 C ATOM 1188 CD1 ILE A 72 -6.563 -4.928 -1.368 1.00 0.00 C ATOM 0 H ILE A 72 -8.372 -3.512 1.756 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.631 -2.966 2.237 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.174 -2.348 -0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.202 -5.023 0.733 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.841 -4.575 0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.027 -2.925 -1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.845 -1.581 -0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.308 -3.218 0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.836 -5.982 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.175 -4.355 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.511 -4.810 -1.629 1.00 0.00 H new ATOM 1200 N PHE A 73 -7.683 -0.446 1.959 1.00 0.00 N ATOM 1201 CA PHE A 73 -7.811 1.004 2.064 1.00 0.00 C ATOM 1202 C PHE A 73 -7.522 1.489 3.481 1.00 0.00 C ATOM 1203 O PHE A 73 -6.794 2.462 3.679 1.00 0.00 O ATOM 1204 CB PHE A 73 -9.213 1.443 1.637 1.00 0.00 C ATOM 1205 CG PHE A 73 -9.297 1.870 0.200 1.00 0.00 C ATOM 1206 CD1 PHE A 73 -8.461 2.859 -0.293 1.00 0.00 C ATOM 1207 CD2 PHE A 73 -10.213 1.283 -0.658 1.00 0.00 C ATOM 1208 CE1 PHE A 73 -8.536 3.253 -1.615 1.00 0.00 C ATOM 1209 CE2 PHE A 73 -10.293 1.673 -1.982 1.00 0.00 C ATOM 1210 CZ PHE A 73 -9.454 2.660 -2.461 1.00 0.00 C ATOM 0 H PHE A 73 -8.569 -0.951 1.988 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.074 1.452 1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.909 0.621 1.804 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.536 2.268 2.272 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.743 3.327 0.364 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.872 0.512 -0.288 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.878 4.024 -1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.011 1.207 -2.641 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.515 2.968 -3.494 1.00 0.00 H new ATOM 1220 N GLN A 74 -8.102 0.814 4.468 1.00 0.00 N ATOM 1221 CA GLN A 74 -7.908 1.187 5.864 1.00 0.00 C ATOM 1222 C GLN A 74 -6.489 0.875 6.327 1.00 0.00 C ATOM 1223 O GLN A 74 -5.954 1.547 7.211 1.00 0.00 O ATOM 1224 CB GLN A 74 -8.919 0.460 6.755 1.00 0.00 C ATOM 1225 CG GLN A 74 -8.724 -1.046 6.799 1.00 0.00 C ATOM 1226 CD GLN A 74 -9.367 -1.683 8.014 1.00 0.00 C ATOM 1227 OE1 GLN A 74 -9.089 -1.298 9.152 1.00 0.00 O ATOM 1228 NE2 GLN A 74 -10.232 -2.665 7.782 1.00 0.00 N ATOM 0 H GLN A 74 -8.709 0.007 4.327 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.066 2.262 5.947 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -8.848 0.856 7.768 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.926 0.677 6.398 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.144 -1.489 5.896 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.657 -1.270 6.798 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.433 -2.952 6.824 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.695 -3.132 8.562 1.00 0.00 H new ATOM 1237 N LYS A 75 -5.884 -0.147 5.731 1.00 0.00 N ATOM 1238 CA LYS A 75 -4.527 -0.543 6.090 1.00 0.00 C ATOM 1239 C LYS A 75 -3.501 0.429 5.516 1.00 0.00 C ATOM 1240 O LYS A 75 -2.518 0.767 6.175 1.00 0.00 O ATOM 1241 CB LYS A 75 -4.239 -1.961 5.592 1.00 0.00 C ATOM 1242 CG LYS A 75 -4.942 -3.043 6.397 1.00 0.00 C ATOM 1243 CD LYS A 75 -4.335 -3.188 7.782 1.00 0.00 C ATOM 1244 CE LYS A 75 -5.371 -3.639 8.800 1.00 0.00 C ATOM 1245 NZ LYS A 75 -5.993 -2.485 9.507 1.00 0.00 N ATOM 0 H LYS A 75 -6.311 -0.715 4.999 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.447 -0.522 7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.544 -2.040 4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.164 -2.137 5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.001 -2.802 6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.875 -3.993 5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.518 -3.909 7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.907 -2.235 8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.146 -4.218 8.297 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.901 -4.300 9.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.693 -2.834 10.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.257 -1.947 10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.464 -1.867 8.816 1.00 0.00 H new ATOM 1259 N ILE A 76 -3.736 0.879 4.288 1.00 0.00 N ATOM 1260 CA ILE A 76 -2.827 1.815 3.638 1.00 0.00 C ATOM 1261 C ILE A 76 -2.930 3.197 4.275 1.00 0.00 C ATOM 1262 O ILE A 76 -1.947 3.933 4.350 1.00 0.00 O ATOM 1263 CB ILE A 76 -3.116 1.928 2.126 1.00 0.00 C ATOM 1264 CG1 ILE A 76 -2.062 2.807 1.448 1.00 0.00 C ATOM 1265 CG2 ILE A 76 -4.513 2.482 1.888 1.00 0.00 C ATOM 1266 CD1 ILE A 76 -0.769 2.082 1.152 1.00 0.00 C ATOM 0 H ILE A 76 -4.544 0.612 3.726 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.817 1.427 3.771 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.067 0.931 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.471 3.197 0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.850 3.664 2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.698 2.554 0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.250 1.818 2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.593 3.472 2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.070 2.767 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.336 1.715 2.083 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.967 1.241 0.488 1.00 0.00 H new ATOM 1278 N SER A 77 -4.130 3.539 4.733 1.00 0.00 N ATOM 1279 CA SER A 77 -4.366 4.830 5.369 1.00 0.00 C ATOM 1280 C SER A 77 -4.383 4.694 6.888 1.00 0.00 C ATOM 1281 O SER A 77 -4.977 5.515 7.587 1.00 0.00 O ATOM 1282 CB SER A 77 -5.687 5.426 4.884 1.00 0.00 C ATOM 1283 OG SER A 77 -5.741 5.467 3.467 1.00 0.00 O ATOM 0 H SER A 77 -4.954 2.940 4.676 1.00 0.00 H new ATOM 0 HA SER A 77 -3.550 5.498 5.092 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.518 4.833 5.265 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.804 6.433 5.284 1.00 0.00 H new ATOM 0 HG SER A 77 -6.649 5.699 3.181 1.00 0.00 H new ATOM 1289 N GLN A 78 -3.729 3.652 7.395 1.00 0.00 N ATOM 1290 CA GLN A 78 -3.671 3.413 8.832 1.00 0.00 C ATOM 1291 C GLN A 78 -2.891 4.519 9.536 1.00 0.00 C ATOM 1292 O GLN A 78 -3.167 4.851 10.688 1.00 0.00 O ATOM 1293 CB GLN A 78 -3.026 2.055 9.120 1.00 0.00 C ATOM 1294 CG GLN A 78 -3.732 1.264 10.208 1.00 0.00 C ATOM 1295 CD GLN A 78 -3.176 1.549 11.591 1.00 0.00 C ATOM 1296 OE1 GLN A 78 -2.002 1.883 11.743 1.00 0.00 O ATOM 1297 NE2 GLN A 78 -4.021 1.418 12.607 1.00 0.00 N ATOM 0 H GLN A 78 -3.233 2.961 6.832 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.691 3.411 9.216 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.015 1.466 8.203 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.987 2.210 9.411 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.796 1.501 10.192 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.640 0.199 9.996 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.987 1.139 12.434 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.704 1.597 13.560 1.00 0.00 H new ATOM 1306 N LEU A 79 -1.916 5.087 8.832 1.00 0.00 N ATOM 1307 CA LEU A 79 -1.092 6.155 9.385 1.00 0.00 C ATOM 1308 C LEU A 79 -1.904 7.434 9.564 1.00 0.00 C ATOM 1309 O LEU A 79 -3.109 7.457 9.311 1.00 0.00 O ATOM 1310 CB LEU A 79 0.109 6.422 8.477 1.00 0.00 C ATOM 1311 CG LEU A 79 1.330 5.539 8.740 1.00 0.00 C ATOM 1312 CD1 LEU A 79 1.909 5.823 10.117 1.00 0.00 C ATOM 1313 CD2 LEU A 79 0.960 4.069 8.608 1.00 0.00 C ATOM 0 H LEU A 79 -1.678 4.824 7.876 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.735 5.834 10.364 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.201 6.287 7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.404 7.465 8.588 1.00 0.00 H new ATOM 0 HG LEU A 79 2.091 5.772 7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.777 5.185 10.285 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.210 6.869 10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.155 5.619 10.878 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.840 3.454 8.798 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.182 3.823 9.331 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.593 3.875 7.600 1.00 0.00 H new ATOM 1325 N ASP A 80 -1.235 8.498 10.001 1.00 0.00 N ATOM 1326 CA ASP A 80 -1.894 9.781 10.214 1.00 0.00 C ATOM 1327 C ASP A 80 -1.336 10.846 9.274 1.00 0.00 C ATOM 1328 O ASP A 80 -1.300 12.028 9.611 1.00 0.00 O ATOM 1329 CB ASP A 80 -1.724 10.229 11.666 1.00 0.00 C ATOM 1330 CG ASP A 80 -2.736 9.583 12.593 1.00 0.00 C ATOM 1331 OD1 ASP A 80 -2.738 8.339 12.695 1.00 0.00 O ATOM 1332 OD2 ASP A 80 -3.526 10.322 13.217 1.00 0.00 O ATOM 0 H ASP A 80 -0.238 8.496 10.214 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.955 9.654 10.000 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.717 9.983 12.004 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.823 11.313 11.723 1.00 0.00 H new ATOM 1337 N LYS A 81 -0.903 10.417 8.093 1.00 0.00 N ATOM 1338 CA LYS A 81 -0.348 11.334 7.103 1.00 0.00 C ATOM 1339 C LYS A 81 -1.301 11.499 5.923 1.00 0.00 C ATOM 1340 O LYS A 81 -1.652 12.618 5.546 1.00 0.00 O ATOM 1341 CB LYS A 81 1.008 10.828 6.609 1.00 0.00 C ATOM 1342 CG LYS A 81 1.919 10.339 7.724 1.00 0.00 C ATOM 1343 CD LYS A 81 2.312 11.471 8.658 1.00 0.00 C ATOM 1344 CE LYS A 81 2.917 10.943 9.949 1.00 0.00 C ATOM 1345 NZ LYS A 81 1.902 10.258 10.797 1.00 0.00 N ATOM 0 H LYS A 81 -0.926 9.441 7.798 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.213 12.305 7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.847 10.016 5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.510 11.629 6.067 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.414 9.557 8.291 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.816 9.893 7.294 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.029 12.124 8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.435 12.077 8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.723 10.248 9.715 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.359 11.768 10.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.264 10.169 11.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.023 10.814 10.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.709 9.312 10.411 1.00 0.00 H new ATOM 1359 N VAL A 82 -1.715 10.375 5.345 1.00 0.00 N ATOM 1360 CA VAL A 82 -2.627 10.383 4.206 1.00 0.00 C ATOM 1361 C VAL A 82 -3.837 11.273 4.468 1.00 0.00 C ATOM 1362 O VAL A 82 -4.538 11.108 5.466 1.00 0.00 O ATOM 1363 CB VAL A 82 -3.116 8.962 3.868 1.00 0.00 C ATOM 1364 CG1 VAL A 82 -1.956 8.092 3.413 1.00 0.00 C ATOM 1365 CG2 VAL A 82 -3.825 8.341 5.066 1.00 0.00 C ATOM 0 H VAL A 82 -1.432 9.443 5.649 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.066 10.780 3.360 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.831 9.029 3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.321 7.092 3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.500 8.529 2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.214 8.030 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.163 7.337 4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.136 8.286 5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.684 8.955 5.339 1.00 0.00 H new ATOM 1375 N VAL A 83 -4.074 12.217 3.565 1.00 0.00 N ATOM 1376 CA VAL A 83 -5.198 13.135 3.697 1.00 0.00 C ATOM 1377 C VAL A 83 -6.140 13.029 2.500 1.00 0.00 C ATOM 1378 O VAL A 83 -7.356 13.153 2.646 1.00 0.00 O ATOM 1379 CB VAL A 83 -4.708 14.590 3.833 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -5.884 15.548 3.948 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -3.781 14.727 5.031 1.00 0.00 C ATOM 0 H VAL A 83 -3.503 12.367 2.733 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.740 12.854 4.600 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.149 14.850 2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.514 16.569 4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.506 15.469 3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.476 15.293 4.827 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.443 15.760 5.114 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.315 14.446 5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.919 14.073 4.901 1.00 0.00 H new ATOM 1391 N GLN A 84 -5.574 12.803 1.321 1.00 0.00 N ATOM 1392 CA GLN A 84 -6.368 12.683 0.103 1.00 0.00 C ATOM 1393 C GLN A 84 -6.250 11.284 -0.491 1.00 0.00 C ATOM 1394 O GLN A 84 -5.196 10.902 -1.001 1.00 0.00 O ATOM 1395 CB GLN A 84 -5.924 13.725 -0.924 1.00 0.00 C ATOM 1396 CG GLN A 84 -6.957 13.996 -2.004 1.00 0.00 C ATOM 1397 CD GLN A 84 -6.331 14.221 -3.367 1.00 0.00 C ATOM 1398 OE1 GLN A 84 -6.098 15.360 -3.772 1.00 0.00 O ATOM 1399 NE2 GLN A 84 -6.056 13.136 -4.079 1.00 0.00 N ATOM 0 H GLN A 84 -4.569 12.699 1.182 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.412 12.859 0.362 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.698 14.658 -0.408 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.000 13.389 -1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.648 13.155 -2.060 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.544 14.872 -1.729 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.267 12.212 -3.702 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.634 13.226 -5.003 1.00 0.00 H new ATOM 1408 N THR A 85 -7.339 10.525 -0.424 1.00 0.00 N ATOM 1409 CA THR A 85 -7.360 9.167 -0.957 1.00 0.00 C ATOM 1410 C THR A 85 -8.456 9.012 -2.006 1.00 0.00 C ATOM 1411 O THR A 85 -9.433 9.760 -2.014 1.00 0.00 O ATOM 1412 CB THR A 85 -7.572 8.156 0.171 1.00 0.00 C ATOM 1413 OG1 THR A 85 -8.905 8.211 0.647 1.00 0.00 O ATOM 1414 CG2 THR A 85 -6.653 8.376 1.353 1.00 0.00 C ATOM 0 H THR A 85 -8.219 10.827 -0.006 1.00 0.00 H new ATOM 0 HA THR A 85 -6.397 8.975 -1.431 1.00 0.00 H new ATOM 0 HB THR A 85 -7.347 7.183 -0.266 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.023 7.556 1.367 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.856 7.625 2.116 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.616 8.292 1.028 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.824 9.370 1.767 1.00 0.00 H new ATOM 1422 N LEU A 86 -8.287 8.035 -2.891 1.00 0.00 N ATOM 1423 CA LEU A 86 -9.261 7.779 -3.946 1.00 0.00 C ATOM 1424 C LEU A 86 -9.461 9.017 -4.817 1.00 0.00 C ATOM 1425 O LEU A 86 -10.255 8.940 -5.777 1.00 0.00 O ATOM 1426 CB LEU A 86 -10.597 7.347 -3.339 1.00 0.00 C ATOM 1427 CG LEU A 86 -11.474 6.486 -4.254 1.00 0.00 C ATOM 1428 CD1 LEU A 86 -11.879 5.198 -3.553 1.00 0.00 C ATOM 1429 CD2 LEU A 86 -12.707 7.262 -4.697 1.00 0.00 C ATOM 1430 OXT LEU A 86 -8.821 10.050 -4.529 1.00 0.00 O ATOM 0 H LEU A 86 -7.483 7.407 -2.898 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.877 6.975 -4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.400 6.792 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.157 8.239 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.893 6.227 -5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -12.501 4.601 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -10.986 4.632 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.440 5.436 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -13.318 6.635 -5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -13.288 7.553 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.399 8.155 -5.241 1.00 0.00 H new TER 1442 LEU A 86