USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 642 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0 (180deg=-0.0679) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -56:sc= 0.389 USER MOD Single : A 19 CYS SG : rot 106:sc= -3.86 USER MOD Single : A 20 SER OG : rot 101:sc= 0.75 USER MOD Single : A 22 HIS : no HD1:sc= -2.72 K(o=-2.7,f=-0.96) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.00724) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -74:sc= 0.877 USER MOD Single : A 30 HIS : no HD1:sc= -2.76! K(o=-2.8!,f=-1.9) USER MOD Single : A 34 SER OG : rot 180:sc= 0.095 USER MOD Single : A 38 THR OG1 : rot 180:sc= -7.96! USER MOD Single : A 40 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.198) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 140:sc= -0.337 (180deg=-1.65!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.91 K(o=-1.9,f=-0.67) USER MOD Single : A 50 SER OG : rot 180:sc= 0.035 USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 0.162 (180deg=0.158) USER MOD Single : A 54 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0477) USER MOD Single : A 55 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.37) USER MOD Single : A 57 TYR OH : rot -39:sc= -0.505! USER MOD Single : A 59 GLN : amide:sc= -0.931 K(o=-0.93,f=-0.4) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.187) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.269 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.749 11.299 1.075 1.00 0.00 N ATOM 2 CA MET A 1 -11.856 12.047 1.738 1.00 0.00 C ATOM 3 C MET A 1 -11.734 13.544 1.441 1.00 0.00 C ATOM 4 O MET A 1 -12.648 14.159 0.922 1.00 0.00 O ATOM 5 CB MET A 1 -11.676 11.780 3.232 1.00 0.00 C ATOM 6 CG MET A 1 -12.273 10.416 3.582 1.00 0.00 C ATOM 7 SD MET A 1 -12.089 10.115 5.358 1.00 0.00 S ATOM 8 CE MET A 1 -10.466 9.316 5.285 1.00 0.00 C ATOM 0 H1 MET A 1 -11.142 10.680 0.338 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.084 11.973 0.644 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.248 10.722 1.781 1.00 0.00 H new ATOM 0 HA MET A 1 -12.838 11.732 1.384 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.618 11.803 3.491 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.164 12.562 3.813 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.327 10.386 3.304 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.772 9.631 3.015 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.151 9.040 6.291 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.529 8.421 4.666 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.740 10.005 4.853 1.00 0.00 H new ATOM 20 N LYS A 2 -10.611 14.133 1.768 1.00 0.00 N ATOM 21 CA LYS A 2 -10.420 15.591 1.509 1.00 0.00 C ATOM 22 C LYS A 2 -8.977 15.867 1.077 1.00 0.00 C ATOM 23 O LYS A 2 -8.060 15.167 1.464 1.00 0.00 O ATOM 24 CB LYS A 2 -10.721 16.272 2.844 1.00 0.00 C ATOM 25 CG LYS A 2 -12.227 16.509 2.970 1.00 0.00 C ATOM 26 CD LYS A 2 -12.574 16.832 4.425 1.00 0.00 C ATOM 27 CE LYS A 2 -13.905 17.586 4.477 1.00 0.00 C ATOM 28 NZ LYS A 2 -14.461 17.291 5.827 1.00 0.00 N ATOM 0 H LYS A 2 -9.817 13.665 2.204 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.065 15.957 0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.370 15.651 3.668 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.187 17.220 2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.532 17.330 2.322 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.774 15.625 2.643 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.642 15.913 5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.784 17.435 4.873 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.758 18.657 4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.580 17.250 3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.375 17.774 5.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.596 16.265 5.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.800 17.628 6.556 1.00 0.00 H new ATOM 42 N LYS A 3 -8.774 16.883 0.277 1.00 0.00 N ATOM 43 CA LYS A 3 -7.394 17.214 -0.188 1.00 0.00 C ATOM 44 C LYS A 3 -7.280 18.712 -0.480 1.00 0.00 C ATOM 45 O LYS A 3 -8.271 19.392 -0.673 1.00 0.00 O ATOM 46 CB LYS A 3 -7.202 16.400 -1.467 1.00 0.00 C ATOM 47 CG LYS A 3 -5.714 16.336 -1.815 1.00 0.00 C ATOM 48 CD LYS A 3 -5.526 15.532 -3.104 1.00 0.00 C ATOM 49 CE LYS A 3 -4.053 15.141 -3.252 1.00 0.00 C ATOM 50 NZ LYS A 3 -3.954 14.522 -4.603 1.00 0.00 N ATOM 0 H LYS A 3 -9.507 17.499 -0.075 1.00 0.00 H new ATOM 0 HA LYS A 3 -6.637 16.979 0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.598 15.393 -1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.758 16.855 -2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.315 17.343 -1.940 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.158 15.872 -1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.150 14.639 -3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.845 16.122 -3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.403 16.012 -3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -3.750 14.441 -2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.972 14.227 -4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -4.579 13.692 -4.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.242 15.214 -5.324 1.00 0.00 H new ATOM 64 N ASP A 4 -6.078 19.231 -0.512 1.00 0.00 N ATOM 65 CA ASP A 4 -5.890 20.686 -0.791 1.00 0.00 C ATOM 66 C ASP A 4 -4.516 20.931 -1.434 1.00 0.00 C ATOM 67 O ASP A 4 -3.673 20.056 -1.426 1.00 0.00 O ATOM 68 CB ASP A 4 -5.970 21.363 0.579 1.00 0.00 C ATOM 69 CG ASP A 4 -7.435 21.621 0.936 1.00 0.00 C ATOM 70 OD1 ASP A 4 -8.069 22.391 0.235 1.00 0.00 O ATOM 71 OD2 ASP A 4 -7.898 21.042 1.905 1.00 0.00 O ATOM 0 H ASP A 4 -5.217 18.707 -0.356 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.637 21.075 -1.483 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.506 20.731 1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.417 22.302 0.565 1.00 0.00 H new ATOM 76 N PRO A 5 -4.325 22.117 -1.975 1.00 0.00 N ATOM 77 CA PRO A 5 -3.029 22.448 -2.619 1.00 0.00 C ATOM 78 C PRO A 5 -1.941 22.648 -1.560 1.00 0.00 C ATOM 79 O PRO A 5 -0.798 22.281 -1.757 1.00 0.00 O ATOM 80 CB PRO A 5 -3.315 23.753 -3.359 1.00 0.00 C ATOM 81 CG PRO A 5 -4.462 24.371 -2.626 1.00 0.00 C ATOM 82 CD PRO A 5 -5.272 23.244 -2.040 1.00 0.00 C ATOM 0 HA PRO A 5 -2.668 21.661 -3.281 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.444 24.409 -3.354 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -3.568 23.567 -4.403 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.104 25.037 -1.841 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -5.071 24.973 -3.301 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.655 23.500 -1.052 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.133 23.006 -2.664 1.00 0.00 H new ATOM 90 N ASN A 6 -2.292 23.227 -0.439 1.00 0.00 N ATOM 91 CA ASN A 6 -1.285 23.455 0.640 1.00 0.00 C ATOM 92 C ASN A 6 -1.121 22.188 1.484 1.00 0.00 C ATOM 93 O ASN A 6 -0.066 21.928 2.029 1.00 0.00 O ATOM 94 CB ASN A 6 -1.861 24.592 1.485 1.00 0.00 C ATOM 95 CG ASN A 6 -1.816 25.895 0.685 1.00 0.00 C ATOM 96 OD1 ASN A 6 -0.758 26.343 0.289 1.00 0.00 O ATOM 97 ND2 ASN A 6 -2.929 26.528 0.429 1.00 0.00 N ATOM 0 H ASN A 6 -3.235 23.552 -0.225 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.301 23.702 0.242 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.888 24.363 1.770 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.290 24.699 2.407 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.910 27.398 -0.103 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.817 26.152 0.761 1.00 0.00 H new ATOM 104 N ALA A 7 -2.161 21.400 1.591 1.00 0.00 N ATOM 105 CA ALA A 7 -2.077 20.145 2.396 1.00 0.00 C ATOM 106 C ALA A 7 -1.345 19.051 1.603 1.00 0.00 C ATOM 107 O ALA A 7 -1.277 19.115 0.392 1.00 0.00 O ATOM 108 CB ALA A 7 -3.529 19.737 2.654 1.00 0.00 C ATOM 0 H ALA A 7 -3.066 21.573 1.154 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.524 20.290 3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.550 18.820 3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.038 20.531 3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.034 19.570 1.703 1.00 0.00 H new ATOM 114 N PRO A 8 -0.824 18.072 2.310 1.00 0.00 N ATOM 115 CA PRO A 8 -0.109 16.966 1.655 1.00 0.00 C ATOM 116 C PRO A 8 -1.076 15.922 1.104 1.00 0.00 C ATOM 117 O PRO A 8 -2.281 16.064 1.194 1.00 0.00 O ATOM 118 CB PRO A 8 0.777 16.399 2.740 1.00 0.00 C ATOM 119 CG PRO A 8 0.164 16.813 4.027 1.00 0.00 C ATOM 120 CD PRO A 8 -0.852 17.897 3.762 1.00 0.00 C ATOM 0 HA PRO A 8 0.466 17.297 0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.836 15.313 2.668 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.794 16.780 2.652 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.313 15.959 4.508 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.932 17.176 4.710 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.844 17.606 4.108 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.592 18.821 4.279 1.00 0.00 H new ATOM 128 N LYS A 9 -0.549 14.876 0.530 1.00 0.00 N ATOM 129 CA LYS A 9 -1.421 13.806 -0.043 1.00 0.00 C ATOM 130 C LYS A 9 -1.378 12.556 0.839 1.00 0.00 C ATOM 131 O LYS A 9 -0.338 12.181 1.346 1.00 0.00 O ATOM 132 CB LYS A 9 -0.829 13.508 -1.422 1.00 0.00 C ATOM 133 CG LYS A 9 -0.977 14.738 -2.324 1.00 0.00 C ATOM 134 CD LYS A 9 0.331 15.533 -2.327 1.00 0.00 C ATOM 135 CE LYS A 9 0.106 16.885 -3.007 1.00 0.00 C ATOM 136 NZ LYS A 9 1.375 17.637 -2.799 1.00 0.00 N ATOM 0 H LYS A 9 0.453 14.713 0.432 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.465 14.115 -0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.223 13.239 -1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.337 12.654 -1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.229 14.429 -3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.795 15.365 -1.969 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.681 15.682 -1.305 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.107 14.975 -2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.110 16.762 -4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.741 17.412 -2.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.298 18.577 -3.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.552 17.745 -1.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.163 17.115 -3.234 1.00 0.00 H new ATOM 150 N ARG A 10 -2.505 11.912 1.032 1.00 0.00 N ATOM 151 CA ARG A 10 -2.545 10.682 1.890 1.00 0.00 C ATOM 152 C ARG A 10 -1.460 9.672 1.457 1.00 0.00 C ATOM 153 O ARG A 10 -1.236 9.488 0.276 1.00 0.00 O ATOM 154 CB ARG A 10 -3.945 10.090 1.683 1.00 0.00 C ATOM 155 CG ARG A 10 -4.165 9.769 0.202 1.00 0.00 C ATOM 156 CD ARG A 10 -5.590 9.249 -0.002 1.00 0.00 C ATOM 157 NE ARG A 10 -5.476 7.767 0.092 1.00 0.00 N ATOM 158 CZ ARG A 10 -5.720 7.165 1.224 1.00 0.00 C ATOM 159 NH1 ARG A 10 -6.894 7.275 1.782 1.00 0.00 N ATOM 160 NH2 ARG A 10 -4.789 6.454 1.799 1.00 0.00 N ATOM 0 H ARG A 10 -3.402 12.185 0.631 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.351 10.915 2.937 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.058 9.185 2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.701 10.795 2.027 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.002 10.661 -0.402 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.443 9.023 -0.130 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.266 9.642 0.757 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.987 9.554 -0.970 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.207 7.223 -0.728 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.622 7.832 1.334 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.084 6.804 2.667 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.870 6.369 1.364 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.980 5.984 2.684 1.00 0.00 H new ATOM 174 N PRO A 11 -0.813 9.047 2.421 1.00 0.00 N ATOM 175 CA PRO A 11 0.250 8.065 2.097 1.00 0.00 C ATOM 176 C PRO A 11 -0.363 6.739 1.618 1.00 0.00 C ATOM 177 O PRO A 11 -1.563 6.558 1.688 1.00 0.00 O ATOM 178 CB PRO A 11 0.978 7.871 3.423 1.00 0.00 C ATOM 179 CG PRO A 11 -0.025 8.212 4.479 1.00 0.00 C ATOM 180 CD PRO A 11 -1.000 9.191 3.877 1.00 0.00 C ATOM 0 HA PRO A 11 0.908 8.403 1.296 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.330 6.845 3.532 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.853 8.517 3.489 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.543 7.316 4.820 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.467 8.646 5.349 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.025 8.963 4.170 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.794 10.210 4.205 1.00 0.00 H new ATOM 188 N PRO A 12 0.480 5.842 1.150 1.00 0.00 N ATOM 189 CA PRO A 12 -0.010 4.525 0.670 1.00 0.00 C ATOM 190 C PRO A 12 -0.451 3.664 1.858 1.00 0.00 C ATOM 191 O PRO A 12 -0.664 4.165 2.946 1.00 0.00 O ATOM 192 CB PRO A 12 1.206 3.919 -0.027 1.00 0.00 C ATOM 193 CG PRO A 12 2.386 4.581 0.606 1.00 0.00 C ATOM 194 CD PRO A 12 1.944 5.958 1.023 1.00 0.00 C ATOM 0 HA PRO A 12 -0.873 4.599 0.009 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.240 2.838 0.109 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.178 4.105 -1.101 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.733 4.010 1.467 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.219 4.639 -0.095 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.404 6.256 1.965 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.222 6.707 0.282 1.00 0.00 H new ATOM 202 N SER A 13 -0.590 2.373 1.661 1.00 0.00 N ATOM 203 CA SER A 13 -1.018 1.485 2.786 1.00 0.00 C ATOM 204 C SER A 13 -0.866 0.010 2.409 1.00 0.00 C ATOM 205 O SER A 13 -1.768 -0.778 2.617 1.00 0.00 O ATOM 206 CB SER A 13 -2.489 1.826 3.024 1.00 0.00 C ATOM 207 OG SER A 13 -2.948 1.143 4.184 1.00 0.00 O ATOM 0 H SER A 13 -0.426 1.899 0.773 1.00 0.00 H new ATOM 0 HA SER A 13 -0.409 1.641 3.676 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.609 2.902 3.150 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.086 1.538 2.158 1.00 0.00 H new ATOM 0 HG SER A 13 -2.798 0.180 4.078 1.00 0.00 H new ATOM 213 N ALA A 14 0.256 -0.370 1.828 1.00 0.00 N ATOM 214 CA ALA A 14 0.477 -1.797 1.400 1.00 0.00 C ATOM 215 C ALA A 14 -0.393 -2.103 0.185 1.00 0.00 C ATOM 216 O ALA A 14 0.107 -2.252 -0.914 1.00 0.00 O ATOM 217 CB ALA A 14 0.111 -2.707 2.586 1.00 0.00 C ATOM 0 H ALA A 14 1.037 0.256 1.630 1.00 0.00 H new ATOM 0 HA ALA A 14 1.516 -1.966 1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.261 -3.749 2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.746 -2.466 3.439 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.934 -2.551 2.855 1.00 0.00 H new ATOM 223 N PHE A 15 -1.687 -2.202 0.362 1.00 0.00 N ATOM 224 CA PHE A 15 -2.582 -2.503 -0.803 1.00 0.00 C ATOM 225 C PHE A 15 -2.392 -1.460 -1.912 1.00 0.00 C ATOM 226 O PHE A 15 -2.642 -1.731 -3.072 1.00 0.00 O ATOM 227 CB PHE A 15 -4.010 -2.441 -0.244 1.00 0.00 C ATOM 228 CG PHE A 15 -4.998 -2.769 -1.342 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.880 -3.969 -2.052 1.00 0.00 C ATOM 230 CD2 PHE A 15 -6.024 -1.870 -1.654 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.788 -4.270 -3.072 1.00 0.00 C ATOM 232 CE2 PHE A 15 -6.933 -2.171 -2.675 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.815 -3.372 -3.385 1.00 0.00 C ATOM 0 H PHE A 15 -2.163 -2.088 1.257 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.361 -3.475 -1.244 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.120 -3.145 0.581 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.212 -1.448 0.156 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.088 -4.663 -1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.115 -0.943 -1.107 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.697 -5.197 -3.619 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.725 -1.477 -2.915 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.516 -3.605 -4.173 1.00 0.00 H new ATOM 243 N PHE A 16 -1.960 -0.273 -1.566 1.00 0.00 N ATOM 244 CA PHE A 16 -1.763 0.783 -2.603 1.00 0.00 C ATOM 245 C PHE A 16 -0.479 0.526 -3.388 1.00 0.00 C ATOM 246 O PHE A 16 -0.413 0.803 -4.570 1.00 0.00 O ATOM 247 CB PHE A 16 -1.679 2.101 -1.834 1.00 0.00 C ATOM 248 CG PHE A 16 -2.258 3.213 -2.675 1.00 0.00 C ATOM 249 CD1 PHE A 16 -1.504 3.768 -3.716 1.00 0.00 C ATOM 250 CD2 PHE A 16 -3.549 3.688 -2.416 1.00 0.00 C ATOM 251 CE1 PHE A 16 -2.041 4.799 -4.496 1.00 0.00 C ATOM 252 CE2 PHE A 16 -4.086 4.719 -3.196 1.00 0.00 C ATOM 253 CZ PHE A 16 -3.332 5.274 -4.237 1.00 0.00 C ATOM 0 H PHE A 16 -1.736 0.009 -0.612 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.575 0.797 -3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.224 2.021 -0.893 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.642 2.323 -1.584 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.508 3.401 -3.917 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.131 3.259 -1.614 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.459 5.228 -5.298 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.082 5.086 -2.995 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.746 6.068 -4.840 1.00 0.00 H new ATOM 263 N LEU A 17 0.534 -0.035 -2.762 1.00 0.00 N ATOM 264 CA LEU A 17 1.793 -0.339 -3.514 1.00 0.00 C ATOM 265 C LEU A 17 1.432 -1.335 -4.622 1.00 0.00 C ATOM 266 O LEU A 17 1.289 -0.955 -5.768 1.00 0.00 O ATOM 267 CB LEU A 17 2.750 -0.960 -2.484 1.00 0.00 C ATOM 268 CG LEU A 17 3.518 0.137 -1.730 1.00 0.00 C ATOM 269 CD1 LEU A 17 4.352 0.962 -2.713 1.00 0.00 C ATOM 270 CD2 LEU A 17 2.532 1.057 -1.003 1.00 0.00 C ATOM 0 H LEU A 17 0.542 -0.292 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 17 2.258 0.533 -3.975 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.187 -1.569 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.453 -1.624 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 17 4.179 -0.333 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.893 1.737 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.063 0.312 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.694 1.426 -3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.083 1.832 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.864 1.520 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.947 0.474 -0.292 1.00 0.00 H new ATOM 282 N PHE A 18 1.278 -2.601 -4.270 1.00 0.00 N ATOM 283 CA PHE A 18 0.899 -3.671 -5.268 1.00 0.00 C ATOM 284 C PHE A 18 -0.089 -3.106 -6.313 1.00 0.00 C ATOM 285 O PHE A 18 0.149 -3.174 -7.503 1.00 0.00 O ATOM 286 CB PHE A 18 0.245 -4.766 -4.411 1.00 0.00 C ATOM 287 CG PHE A 18 -0.354 -5.848 -5.285 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.441 -6.908 -5.738 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.708 -5.791 -5.631 1.00 0.00 C ATOM 290 CE1 PHE A 18 -0.122 -7.910 -6.539 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.270 -6.793 -6.429 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.479 -7.853 -6.884 1.00 0.00 C ATOM 0 H PHE A 18 1.401 -2.943 -3.317 1.00 0.00 H new ATOM 0 HA PHE A 18 1.750 -4.048 -5.834 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.987 -5.202 -3.742 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.531 -4.328 -3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.486 -6.953 -5.470 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.320 -4.973 -5.282 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.490 -8.727 -6.891 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.316 -6.748 -6.694 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.913 -8.626 -7.500 1.00 0.00 H new ATOM 302 N CYS A 19 -1.183 -2.538 -5.868 1.00 0.00 N ATOM 303 CA CYS A 19 -2.172 -1.947 -6.825 1.00 0.00 C ATOM 304 C CYS A 19 -1.486 -0.897 -7.713 1.00 0.00 C ATOM 305 O CYS A 19 -1.569 -0.936 -8.926 1.00 0.00 O ATOM 306 CB CYS A 19 -3.220 -1.275 -5.934 1.00 0.00 C ATOM 307 SG CYS A 19 -4.369 -2.517 -5.294 1.00 0.00 S ATOM 0 H CYS A 19 -1.435 -2.458 -4.883 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.607 -2.696 -7.487 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -2.731 -0.759 -5.108 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.765 -0.521 -6.503 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.118 -2.733 -4.037 1.00 0.00 H new ATOM 313 N SER A 20 -0.825 0.047 -7.098 1.00 0.00 N ATOM 314 CA SER A 20 -0.135 1.131 -7.869 1.00 0.00 C ATOM 315 C SER A 20 0.852 0.555 -8.894 1.00 0.00 C ATOM 316 O SER A 20 1.074 1.145 -9.936 1.00 0.00 O ATOM 317 CB SER A 20 0.615 1.954 -6.823 1.00 0.00 C ATOM 318 OG SER A 20 -0.311 2.759 -6.106 1.00 0.00 O ATOM 0 H SER A 20 -0.731 0.117 -6.085 1.00 0.00 H new ATOM 0 HA SER A 20 -0.852 1.727 -8.435 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.147 1.294 -6.138 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.363 2.583 -7.306 1.00 0.00 H new ATOM 0 HG SER A 20 -0.506 2.341 -5.241 1.00 0.00 H new ATOM 324 N GLU A 21 1.457 -0.575 -8.611 1.00 0.00 N ATOM 325 CA GLU A 21 2.438 -1.154 -9.582 1.00 0.00 C ATOM 326 C GLU A 21 1.741 -2.097 -10.572 1.00 0.00 C ATOM 327 O GLU A 21 2.221 -2.305 -11.672 1.00 0.00 O ATOM 328 CB GLU A 21 3.479 -1.901 -8.734 1.00 0.00 C ATOM 329 CG GLU A 21 2.828 -3.062 -7.970 1.00 0.00 C ATOM 330 CD GLU A 21 3.890 -4.108 -7.611 1.00 0.00 C ATOM 331 OE1 GLU A 21 4.890 -4.180 -8.309 1.00 0.00 O ATOM 332 OE2 GLU A 21 3.682 -4.823 -6.646 1.00 0.00 O ATOM 0 H GLU A 21 1.315 -1.116 -7.758 1.00 0.00 H new ATOM 0 HA GLU A 21 2.908 -0.378 -10.186 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.272 -2.282 -9.377 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.943 -1.211 -8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.350 -2.690 -7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.047 -3.517 -8.579 1.00 0.00 H new ATOM 339 N HIS A 22 0.621 -2.668 -10.200 1.00 0.00 N ATOM 340 CA HIS A 22 -0.094 -3.594 -11.130 1.00 0.00 C ATOM 341 C HIS A 22 -1.313 -2.900 -11.751 1.00 0.00 C ATOM 342 O HIS A 22 -2.221 -3.551 -12.234 1.00 0.00 O ATOM 343 CB HIS A 22 -0.545 -4.764 -10.255 1.00 0.00 C ATOM 344 CG HIS A 22 0.644 -5.609 -9.888 1.00 0.00 C ATOM 345 ND1 HIS A 22 1.372 -6.312 -10.834 1.00 0.00 N ATOM 346 CD2 HIS A 22 1.238 -5.876 -8.680 1.00 0.00 C ATOM 347 CE1 HIS A 22 2.354 -6.964 -10.185 1.00 0.00 C ATOM 348 NE2 HIS A 22 2.319 -6.732 -8.870 1.00 0.00 N ATOM 0 H HIS A 22 0.173 -2.532 -9.294 1.00 0.00 H new ATOM 0 HA HIS A 22 0.544 -3.914 -11.954 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.030 -4.391 -9.353 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.281 -5.366 -10.787 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.916 -5.482 -7.727 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.082 -7.598 -10.669 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.949 -7.102 -8.158 1.00 0.00 H new ATOM 356 N ARG A 23 -1.343 -1.590 -11.740 1.00 0.00 N ATOM 357 CA ARG A 23 -2.506 -0.860 -12.329 1.00 0.00 C ATOM 358 C ARG A 23 -2.329 -0.645 -13.849 1.00 0.00 C ATOM 359 O ARG A 23 -3.271 -0.850 -14.590 1.00 0.00 O ATOM 360 CB ARG A 23 -2.570 0.473 -11.575 1.00 0.00 C ATOM 361 CG ARG A 23 -3.767 1.285 -12.074 1.00 0.00 C ATOM 362 CD ARG A 23 -3.930 2.538 -11.209 1.00 0.00 C ATOM 363 NE ARG A 23 -4.544 2.053 -9.942 1.00 0.00 N ATOM 364 CZ ARG A 23 -4.260 2.640 -8.812 1.00 0.00 C ATOM 365 NH1 ARG A 23 -4.915 3.707 -8.447 1.00 0.00 N ATOM 366 NH2 ARG A 23 -3.318 2.159 -8.047 1.00 0.00 N ATOM 0 H ARG A 23 -0.612 -0.996 -11.349 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.432 -1.426 -12.223 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.660 0.293 -10.504 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.648 1.034 -11.727 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.620 1.567 -13.117 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.673 0.681 -12.032 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.969 3.018 -11.024 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.565 3.276 -11.699 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.187 1.261 -9.958 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.650 4.084 -9.045 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.692 4.165 -7.563 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.805 1.325 -8.333 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.095 2.617 -7.163 1.00 0.00 H new ATOM 380 N PRO A 24 -1.145 -0.246 -14.288 1.00 0.00 N ATOM 381 CA PRO A 24 -0.934 -0.033 -15.743 1.00 0.00 C ATOM 382 C PRO A 24 -0.751 -1.372 -16.475 1.00 0.00 C ATOM 383 O PRO A 24 -0.725 -1.414 -17.691 1.00 0.00 O ATOM 384 CB PRO A 24 0.344 0.795 -15.808 1.00 0.00 C ATOM 385 CG PRO A 24 1.087 0.479 -14.550 1.00 0.00 C ATOM 386 CD PRO A 24 0.079 0.040 -13.517 1.00 0.00 C ATOM 0 HA PRO A 24 -1.782 0.457 -16.222 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.934 0.538 -16.688 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.119 1.860 -15.875 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.820 -0.308 -14.727 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.636 1.353 -14.201 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.423 -0.843 -12.978 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.093 0.820 -12.775 1.00 0.00 H new ATOM 394 N LYS A 25 -0.633 -2.463 -15.753 1.00 0.00 N ATOM 395 CA LYS A 25 -0.460 -3.789 -16.417 1.00 0.00 C ATOM 396 C LYS A 25 -1.829 -4.360 -16.792 1.00 0.00 C ATOM 397 O LYS A 25 -1.992 -4.982 -17.826 1.00 0.00 O ATOM 398 CB LYS A 25 0.225 -4.671 -15.374 1.00 0.00 C ATOM 399 CG LYS A 25 0.708 -5.964 -16.035 1.00 0.00 C ATOM 400 CD LYS A 25 1.878 -6.541 -15.236 1.00 0.00 C ATOM 401 CE LYS A 25 1.343 -7.458 -14.134 1.00 0.00 C ATOM 402 NZ LYS A 25 1.157 -8.782 -14.791 1.00 0.00 N ATOM 0 H LYS A 25 -0.649 -2.489 -14.733 1.00 0.00 H new ATOM 0 HA LYS A 25 0.125 -3.724 -17.335 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.068 -4.140 -14.931 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.468 -4.901 -14.565 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.106 -6.687 -16.081 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.017 -5.766 -17.061 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.543 -7.098 -15.896 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.466 -5.734 -14.798 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.044 -7.525 -13.302 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.403 -7.082 -13.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.551 -9.383 -14.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.708 -8.649 -15.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.082 -9.240 -14.916 1.00 0.00 H new ATOM 416 N ILE A 26 -2.814 -4.142 -15.959 1.00 0.00 N ATOM 417 CA ILE A 26 -4.185 -4.659 -16.258 1.00 0.00 C ATOM 418 C ILE A 26 -4.815 -3.868 -17.414 1.00 0.00 C ATOM 419 O ILE A 26 -5.795 -4.290 -17.993 1.00 0.00 O ATOM 420 CB ILE A 26 -4.986 -4.453 -14.963 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.329 -5.237 -13.813 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.427 -4.938 -15.155 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.286 -6.736 -14.142 1.00 0.00 C ATOM 0 H ILE A 26 -2.729 -3.627 -15.083 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.170 -5.705 -16.563 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.995 -3.391 -14.719 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.318 -4.867 -13.643 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.887 -5.077 -12.890 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.987 -4.788 -14.232 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.897 -4.373 -15.960 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.423 -5.998 -15.409 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.818 -7.276 -13.319 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.301 -7.106 -14.288 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.708 -6.892 -15.053 1.00 0.00 H new ATOM 435 N LYS A 27 -4.260 -2.729 -17.758 1.00 0.00 N ATOM 436 CA LYS A 27 -4.830 -1.921 -18.878 1.00 0.00 C ATOM 437 C LYS A 27 -4.356 -2.455 -20.237 1.00 0.00 C ATOM 438 O LYS A 27 -4.913 -2.119 -21.266 1.00 0.00 O ATOM 439 CB LYS A 27 -4.309 -0.502 -18.644 1.00 0.00 C ATOM 440 CG LYS A 27 -5.184 0.195 -17.601 1.00 0.00 C ATOM 441 CD LYS A 27 -4.975 1.708 -17.685 1.00 0.00 C ATOM 442 CE LYS A 27 -6.133 2.421 -16.984 1.00 0.00 C ATOM 443 NZ LYS A 27 -6.083 3.821 -17.490 1.00 0.00 N ATOM 0 H LYS A 27 -3.437 -2.326 -17.310 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.919 -1.962 -18.896 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.274 -0.534 -18.303 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.320 0.060 -19.578 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.233 -0.047 -17.771 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.932 -0.162 -16.603 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.029 1.982 -17.218 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.918 2.021 -18.728 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.087 1.950 -17.219 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.019 2.388 -15.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.848 4.375 -17.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.166 4.246 -17.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.201 3.821 -18.523 1.00 0.00 H new ATOM 457 N SER A 28 -3.338 -3.284 -20.253 1.00 0.00 N ATOM 458 CA SER A 28 -2.838 -3.837 -21.550 1.00 0.00 C ATOM 459 C SER A 28 -3.779 -4.934 -22.057 1.00 0.00 C ATOM 460 O SER A 28 -4.167 -4.945 -23.210 1.00 0.00 O ATOM 461 CB SER A 28 -1.459 -4.417 -21.233 1.00 0.00 C ATOM 462 OG SER A 28 -1.611 -5.579 -20.429 1.00 0.00 O ATOM 0 H SER A 28 -2.834 -3.600 -19.425 1.00 0.00 H new ATOM 0 HA SER A 28 -2.789 -3.076 -22.329 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.936 -4.666 -22.156 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.852 -3.677 -20.712 1.00 0.00 H new ATOM 0 HG SER A 28 -1.856 -5.316 -19.517 1.00 0.00 H new ATOM 468 N GLU A 29 -4.145 -5.855 -21.201 1.00 0.00 N ATOM 469 CA GLU A 29 -5.062 -6.958 -21.626 1.00 0.00 C ATOM 470 C GLU A 29 -6.535 -6.576 -21.397 1.00 0.00 C ATOM 471 O GLU A 29 -7.422 -7.386 -21.590 1.00 0.00 O ATOM 472 CB GLU A 29 -4.676 -8.147 -20.746 1.00 0.00 C ATOM 473 CG GLU A 29 -3.304 -8.673 -21.172 1.00 0.00 C ATOM 474 CD GLU A 29 -3.097 -10.080 -20.605 1.00 0.00 C ATOM 475 OE1 GLU A 29 -3.077 -10.211 -19.392 1.00 0.00 O ATOM 476 OE2 GLU A 29 -2.962 -11.000 -21.394 1.00 0.00 O ATOM 0 H GLU A 29 -3.849 -5.891 -20.226 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.965 -7.177 -22.689 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.653 -7.846 -19.699 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.423 -8.936 -20.834 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.232 -8.694 -22.259 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.520 -8.006 -20.814 1.00 0.00 H new ATOM 483 N HIS A 30 -6.804 -5.353 -21.000 1.00 0.00 N ATOM 484 CA HIS A 30 -8.221 -4.926 -20.775 1.00 0.00 C ATOM 485 C HIS A 30 -8.362 -3.427 -21.075 1.00 0.00 C ATOM 486 O HIS A 30 -8.332 -2.614 -20.172 1.00 0.00 O ATOM 487 CB HIS A 30 -8.524 -5.202 -19.298 1.00 0.00 C ATOM 488 CG HIS A 30 -8.319 -6.660 -18.989 1.00 0.00 C ATOM 489 ND1 HIS A 30 -9.353 -7.581 -19.032 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.203 -7.366 -18.618 1.00 0.00 C ATOM 491 CE1 HIS A 30 -8.843 -8.779 -18.694 1.00 0.00 C ATOM 492 NE2 HIS A 30 -7.536 -8.705 -18.431 1.00 0.00 N ATOM 0 H HIS A 30 -6.103 -4.634 -20.823 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.912 -5.463 -21.425 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.876 -4.594 -18.667 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.551 -4.915 -19.070 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.216 -6.947 -18.490 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.421 -9.690 -18.642 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.915 -9.465 -18.153 1.00 0.00 H new ATOM 500 N PRO A 31 -8.513 -3.100 -22.339 1.00 0.00 N ATOM 501 CA PRO A 31 -8.661 -1.675 -22.735 1.00 0.00 C ATOM 502 C PRO A 31 -9.981 -1.111 -22.203 1.00 0.00 C ATOM 503 O PRO A 31 -11.051 -1.529 -22.604 1.00 0.00 O ATOM 504 CB PRO A 31 -8.656 -1.725 -24.263 1.00 0.00 C ATOM 505 CG PRO A 31 -9.104 -3.112 -24.596 1.00 0.00 C ATOM 506 CD PRO A 31 -8.567 -3.996 -23.504 1.00 0.00 C ATOM 0 HA PRO A 31 -7.877 -1.031 -22.337 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.328 -0.979 -24.686 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.663 -1.522 -24.663 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.191 -3.169 -24.645 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.724 -3.421 -25.570 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.217 -4.852 -23.323 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.582 -4.391 -23.754 1.00 0.00 H new ATOM 514 N GLY A 32 -9.907 -0.170 -21.295 1.00 0.00 N ATOM 515 CA GLY A 32 -11.152 0.423 -20.722 1.00 0.00 C ATOM 516 C GLY A 32 -11.343 -0.057 -19.277 1.00 0.00 C ATOM 517 O GLY A 32 -12.095 0.527 -18.521 1.00 0.00 O ATOM 0 H GLY A 32 -9.037 0.213 -20.926 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.092 1.511 -20.748 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.013 0.137 -21.326 1.00 0.00 H new ATOM 521 N LEU A 33 -10.675 -1.121 -18.885 1.00 0.00 N ATOM 522 CA LEU A 33 -10.822 -1.649 -17.487 1.00 0.00 C ATOM 523 C LEU A 33 -10.652 -0.538 -16.448 1.00 0.00 C ATOM 524 O LEU A 33 -9.558 -0.078 -16.182 1.00 0.00 O ATOM 525 CB LEU A 33 -9.710 -2.696 -17.338 1.00 0.00 C ATOM 526 CG LEU A 33 -10.161 -3.831 -16.404 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.490 -3.267 -15.021 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.402 -4.522 -16.979 1.00 0.00 C ATOM 0 H LEU A 33 -10.032 -1.648 -19.476 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.814 -2.069 -17.322 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.452 -3.103 -18.316 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.810 -2.226 -16.941 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.352 -4.556 -16.317 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.809 -4.076 -14.364 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.604 -2.788 -14.603 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.292 -2.534 -15.108 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.714 -5.324 -16.311 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.210 -3.797 -17.077 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.166 -4.937 -17.959 1.00 0.00 H new ATOM 540 N SER A 34 -11.739 -0.115 -15.858 1.00 0.00 N ATOM 541 CA SER A 34 -11.673 0.962 -14.824 1.00 0.00 C ATOM 542 C SER A 34 -10.983 0.432 -13.563 1.00 0.00 C ATOM 543 O SER A 34 -10.384 -0.626 -13.576 1.00 0.00 O ATOM 544 CB SER A 34 -13.132 1.325 -14.531 1.00 0.00 C ATOM 545 OG SER A 34 -13.920 0.142 -14.513 1.00 0.00 O ATOM 0 H SER A 34 -12.676 -0.471 -16.049 1.00 0.00 H new ATOM 0 HA SER A 34 -11.103 1.828 -15.161 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.205 1.838 -13.572 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.506 2.013 -15.289 1.00 0.00 H new ATOM 0 HG SER A 34 -14.853 0.373 -14.324 1.00 0.00 H new ATOM 551 N ILE A 35 -11.067 1.158 -12.477 1.00 0.00 N ATOM 552 CA ILE A 35 -10.417 0.698 -11.210 1.00 0.00 C ATOM 553 C ILE A 35 -11.383 -0.172 -10.386 1.00 0.00 C ATOM 554 O ILE A 35 -11.158 -0.413 -9.214 1.00 0.00 O ATOM 555 CB ILE A 35 -10.065 1.985 -10.450 1.00 0.00 C ATOM 556 CG1 ILE A 35 -9.152 2.876 -11.312 1.00 0.00 C ATOM 557 CG2 ILE A 35 -9.350 1.636 -9.141 1.00 0.00 C ATOM 558 CD1 ILE A 35 -7.854 2.134 -11.659 1.00 0.00 C ATOM 0 H ILE A 35 -11.558 2.050 -12.412 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.537 0.085 -11.404 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.985 2.525 -10.228 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.671 3.162 -12.227 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.920 3.796 -10.776 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.103 2.553 -8.606 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.003 1.020 -8.523 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.435 1.086 -9.362 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.219 2.777 -12.269 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.329 1.871 -10.741 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.091 1.226 -12.214 1.00 0.00 H new ATOM 570 N GLY A 36 -12.450 -0.650 -10.986 1.00 0.00 N ATOM 571 CA GLY A 36 -13.417 -1.503 -10.233 1.00 0.00 C ATOM 572 C GLY A 36 -13.056 -2.977 -10.434 1.00 0.00 C ATOM 573 O GLY A 36 -12.733 -3.677 -9.493 1.00 0.00 O ATOM 0 H GLY A 36 -12.689 -0.484 -11.964 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.392 -1.252 -9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.433 -1.315 -10.581 1.00 0.00 H new ATOM 577 N ASP A 37 -13.107 -3.449 -11.655 1.00 0.00 N ATOM 578 CA ASP A 37 -12.764 -4.879 -11.924 1.00 0.00 C ATOM 579 C ASP A 37 -11.299 -5.140 -11.569 1.00 0.00 C ATOM 580 O ASP A 37 -10.969 -6.141 -10.961 1.00 0.00 O ATOM 581 CB ASP A 37 -12.996 -5.077 -13.424 1.00 0.00 C ATOM 582 CG ASP A 37 -14.497 -5.037 -13.719 1.00 0.00 C ATOM 583 OD1 ASP A 37 -15.194 -5.926 -13.259 1.00 0.00 O ATOM 584 OD2 ASP A 37 -14.922 -4.119 -14.400 1.00 0.00 O ATOM 0 H ASP A 37 -13.371 -2.906 -12.477 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.367 -5.566 -11.330 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.483 -4.298 -13.988 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.577 -6.031 -13.745 1.00 0.00 H new ATOM 589 N THR A 38 -10.419 -4.242 -11.939 1.00 0.00 N ATOM 590 CA THR A 38 -8.967 -4.430 -11.619 1.00 0.00 C ATOM 591 C THR A 38 -8.788 -4.494 -10.093 1.00 0.00 C ATOM 592 O THR A 38 -7.974 -5.243 -9.590 1.00 0.00 O ATOM 593 CB THR A 38 -8.260 -3.206 -12.245 1.00 0.00 C ATOM 594 OG1 THR A 38 -8.143 -3.409 -13.644 1.00 0.00 O ATOM 595 CG2 THR A 38 -6.855 -3.013 -11.656 1.00 0.00 C ATOM 0 H THR A 38 -10.642 -3.387 -12.449 1.00 0.00 H new ATOM 0 HA THR A 38 -8.549 -5.356 -12.014 1.00 0.00 H new ATOM 0 HB THR A 38 -8.853 -2.318 -12.028 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.697 -2.637 -14.050 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.384 -2.145 -12.116 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.930 -2.857 -10.580 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.253 -3.900 -11.853 1.00 0.00 H new ATOM 603 N ALA A 39 -9.553 -3.723 -9.362 1.00 0.00 N ATOM 604 CA ALA A 39 -9.441 -3.745 -7.871 1.00 0.00 C ATOM 605 C ALA A 39 -9.879 -5.114 -7.345 1.00 0.00 C ATOM 606 O ALA A 39 -9.403 -5.580 -6.326 1.00 0.00 O ATOM 607 CB ALA A 39 -10.388 -2.651 -7.375 1.00 0.00 C ATOM 0 H ALA A 39 -10.251 -3.079 -9.733 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.421 -3.574 -7.528 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.358 -2.610 -6.286 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.078 -1.689 -7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.404 -2.874 -7.701 1.00 0.00 H new ATOM 613 N LYS A 40 -10.774 -5.763 -8.046 1.00 0.00 N ATOM 614 CA LYS A 40 -11.244 -7.109 -7.608 1.00 0.00 C ATOM 615 C LYS A 40 -10.197 -8.165 -7.971 1.00 0.00 C ATOM 616 O LYS A 40 -10.067 -9.176 -7.308 1.00 0.00 O ATOM 617 CB LYS A 40 -12.543 -7.349 -8.378 1.00 0.00 C ATOM 618 CG LYS A 40 -13.695 -6.627 -7.676 1.00 0.00 C ATOM 619 CD LYS A 40 -15.025 -7.254 -8.097 1.00 0.00 C ATOM 620 CE LYS A 40 -16.093 -6.941 -7.046 1.00 0.00 C ATOM 621 NZ LYS A 40 -16.356 -5.482 -7.189 1.00 0.00 N ATOM 0 H LYS A 40 -11.200 -5.416 -8.905 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.400 -7.167 -6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.443 -6.987 -9.401 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.751 -8.417 -8.436 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.575 -6.695 -6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.684 -5.568 -7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.331 -6.866 -9.068 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.912 -8.333 -8.206 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.998 -7.524 -7.217 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.743 -7.183 -6.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.229 -5.235 -6.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -15.560 -4.945 -6.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.463 -5.246 -8.196 1.00 0.00 H new ATOM 635 N LYS A 41 -9.444 -7.929 -9.019 1.00 0.00 N ATOM 636 CA LYS A 41 -8.394 -8.909 -9.431 1.00 0.00 C ATOM 637 C LYS A 41 -7.076 -8.613 -8.705 1.00 0.00 C ATOM 638 O LYS A 41 -6.257 -9.491 -8.508 1.00 0.00 O ATOM 639 CB LYS A 41 -8.235 -8.703 -10.938 1.00 0.00 C ATOM 640 CG LYS A 41 -7.555 -9.928 -11.552 1.00 0.00 C ATOM 641 CD LYS A 41 -7.064 -9.587 -12.960 1.00 0.00 C ATOM 642 CE LYS A 41 -6.728 -10.877 -13.711 1.00 0.00 C ATOM 643 NZ LYS A 41 -5.843 -10.450 -14.830 1.00 0.00 N ATOM 0 H LYS A 41 -9.513 -7.098 -9.607 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.666 -9.935 -9.184 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.210 -8.546 -11.399 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.643 -7.809 -11.133 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.717 -10.242 -10.929 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.254 -10.764 -11.591 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.830 -9.029 -13.499 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.184 -8.947 -12.904 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.225 -11.593 -13.061 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.629 -11.363 -14.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.569 -11.281 -15.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.351 -9.774 -15.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.990 -9.997 -14.444 1.00 0.00 H new ATOM 657 N LEU A 42 -6.872 -7.383 -8.305 1.00 0.00 N ATOM 658 CA LEU A 42 -5.613 -7.019 -7.584 1.00 0.00 C ATOM 659 C LEU A 42 -5.686 -7.504 -6.136 1.00 0.00 C ATOM 660 O LEU A 42 -4.856 -8.270 -5.686 1.00 0.00 O ATOM 661 CB LEU A 42 -5.552 -5.487 -7.639 1.00 0.00 C ATOM 662 CG LEU A 42 -4.509 -5.029 -8.669 1.00 0.00 C ATOM 663 CD1 LEU A 42 -4.806 -5.636 -10.043 1.00 0.00 C ATOM 664 CD2 LEU A 42 -4.557 -3.509 -8.786 1.00 0.00 C ATOM 0 H LEU A 42 -7.525 -6.613 -8.447 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.729 -7.475 -8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.531 -5.087 -7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.299 -5.091 -6.655 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.524 -5.358 -8.339 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.056 -5.300 -10.759 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.780 -6.723 -9.974 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.794 -5.317 -10.376 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.819 -3.177 -9.516 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.551 -3.200 -9.109 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.335 -3.062 -7.817 1.00 0.00 H new ATOM 676 N GLY A 43 -6.683 -7.066 -5.407 1.00 0.00 N ATOM 677 CA GLY A 43 -6.831 -7.501 -3.980 1.00 0.00 C ATOM 678 C GLY A 43 -6.842 -9.031 -3.908 1.00 0.00 C ATOM 679 O GLY A 43 -6.446 -9.616 -2.917 1.00 0.00 O ATOM 0 H GLY A 43 -7.403 -6.424 -5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.011 -7.105 -3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.754 -7.100 -3.561 1.00 0.00 H new ATOM 683 N GLU A 44 -7.270 -9.680 -4.964 1.00 0.00 N ATOM 684 CA GLU A 44 -7.280 -11.171 -4.972 1.00 0.00 C ATOM 685 C GLU A 44 -5.840 -11.672 -5.064 1.00 0.00 C ATOM 686 O GLU A 44 -5.457 -12.619 -4.403 1.00 0.00 O ATOM 687 CB GLU A 44 -8.072 -11.566 -6.222 1.00 0.00 C ATOM 688 CG GLU A 44 -8.426 -13.053 -6.152 1.00 0.00 C ATOM 689 CD GLU A 44 -8.936 -13.520 -7.518 1.00 0.00 C ATOM 690 OE1 GLU A 44 -10.114 -13.343 -7.779 1.00 0.00 O ATOM 691 OE2 GLU A 44 -8.140 -14.048 -8.277 1.00 0.00 O ATOM 0 H GLU A 44 -7.612 -9.240 -5.818 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.726 -11.598 -4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.980 -10.968 -6.294 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.484 -11.363 -7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.550 -13.633 -5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.187 -13.221 -5.390 1.00 0.00 H new ATOM 698 N MET A 45 -5.034 -11.028 -5.874 1.00 0.00 N ATOM 699 CA MET A 45 -3.608 -11.441 -6.009 1.00 0.00 C ATOM 700 C MET A 45 -2.800 -10.887 -4.833 1.00 0.00 C ATOM 701 O MET A 45 -1.928 -11.548 -4.303 1.00 0.00 O ATOM 702 CB MET A 45 -3.134 -10.826 -7.327 1.00 0.00 C ATOM 703 CG MET A 45 -3.458 -11.775 -8.481 1.00 0.00 C ATOM 704 SD MET A 45 -2.848 -11.070 -10.033 1.00 0.00 S ATOM 705 CE MET A 45 -4.190 -11.658 -11.094 1.00 0.00 C ATOM 0 H MET A 45 -5.307 -10.231 -6.449 1.00 0.00 H new ATOM 0 HA MET A 45 -3.484 -12.524 -6.006 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.620 -9.864 -7.487 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.061 -10.638 -7.287 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.998 -12.748 -8.306 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.534 -11.937 -8.541 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.456 -10.880 -11.809 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.865 -12.549 -11.631 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.059 -11.900 -10.482 1.00 0.00 H new ATOM 715 N TRP A 46 -3.100 -9.680 -4.409 1.00 0.00 N ATOM 716 CA TRP A 46 -2.364 -9.076 -3.249 1.00 0.00 C ATOM 717 C TRP A 46 -2.482 -10.006 -2.034 1.00 0.00 C ATOM 718 O TRP A 46 -1.495 -10.381 -1.430 1.00 0.00 O ATOM 719 CB TRP A 46 -3.050 -7.722 -2.996 1.00 0.00 C ATOM 720 CG TRP A 46 -2.488 -7.085 -1.765 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.200 -6.700 -0.681 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.102 -6.763 -1.479 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.333 -6.158 0.252 1.00 0.00 N ATOM 724 CE2 TRP A 46 -1.027 -6.176 -0.196 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.083 -6.924 -2.208 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.190 -5.761 0.344 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.310 -6.511 -1.670 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.363 -5.930 -0.398 1.00 0.00 C ATOM 0 H TRP A 46 -3.823 -9.087 -4.816 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.300 -8.941 -3.441 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.904 -7.065 -3.854 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.125 -7.865 -2.883 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.269 -6.799 -0.563 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.623 -5.791 1.158 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.051 -7.369 -3.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.226 -5.313 1.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.218 -6.642 -2.240 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.311 -5.612 0.011 1.00 0.00 H new ATOM 739 N SER A 47 -3.685 -10.393 -1.689 1.00 0.00 N ATOM 740 CA SER A 47 -3.877 -11.317 -0.530 1.00 0.00 C ATOM 741 C SER A 47 -3.261 -12.692 -0.831 1.00 0.00 C ATOM 742 O SER A 47 -3.130 -13.522 0.050 1.00 0.00 O ATOM 743 CB SER A 47 -5.392 -11.439 -0.358 1.00 0.00 C ATOM 744 OG SER A 47 -5.689 -11.730 1.002 1.00 0.00 O ATOM 0 H SER A 47 -4.543 -10.108 -2.161 1.00 0.00 H new ATOM 0 HA SER A 47 -3.393 -10.943 0.372 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.879 -10.511 -0.658 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.781 -12.227 -1.004 1.00 0.00 H new ATOM 0 HG SER A 47 -6.659 -11.807 1.116 1.00 0.00 H new ATOM 750 N GLU A 48 -2.868 -12.938 -2.062 1.00 0.00 N ATOM 751 CA GLU A 48 -2.247 -14.244 -2.414 1.00 0.00 C ATOM 752 C GLU A 48 -0.725 -14.110 -2.509 1.00 0.00 C ATOM 753 O GLU A 48 -0.025 -15.095 -2.660 1.00 0.00 O ATOM 754 CB GLU A 48 -2.841 -14.592 -3.779 1.00 0.00 C ATOM 755 CG GLU A 48 -4.212 -15.245 -3.590 1.00 0.00 C ATOM 756 CD GLU A 48 -4.027 -16.707 -3.175 1.00 0.00 C ATOM 757 OE1 GLU A 48 -3.677 -17.505 -4.029 1.00 0.00 O ATOM 758 OE2 GLU A 48 -4.240 -17.003 -2.011 1.00 0.00 O ATOM 0 H GLU A 48 -2.955 -12.281 -2.838 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.443 -15.012 -1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.936 -13.692 -4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.175 -15.269 -4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.780 -14.709 -2.830 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.785 -15.188 -4.516 1.00 0.00 H new ATOM 765 N GLN A 49 -0.199 -12.909 -2.415 1.00 0.00 N ATOM 766 CA GLN A 49 1.277 -12.742 -2.491 1.00 0.00 C ATOM 767 C GLN A 49 1.898 -13.152 -1.159 1.00 0.00 C ATOM 768 O GLN A 49 1.322 -12.950 -0.108 1.00 0.00 O ATOM 769 CB GLN A 49 1.511 -11.246 -2.763 1.00 0.00 C ATOM 770 CG GLN A 49 2.154 -11.060 -4.141 1.00 0.00 C ATOM 771 CD GLN A 49 1.213 -11.574 -5.232 1.00 0.00 C ATOM 772 OE1 GLN A 49 1.407 -12.650 -5.762 1.00 0.00 O ATOM 773 NE2 GLN A 49 0.194 -10.845 -5.594 1.00 0.00 N ATOM 0 H GLN A 49 -0.730 -12.047 -2.290 1.00 0.00 H new ATOM 0 HA GLN A 49 1.728 -13.358 -3.269 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.565 -10.707 -2.718 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.155 -10.824 -1.992 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.376 -10.006 -4.308 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.102 -11.597 -4.184 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.030 -9.942 -5.150 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.439 -11.178 -6.321 1.00 0.00 H new ATOM 782 N SER A 50 3.071 -13.713 -1.201 1.00 0.00 N ATOM 783 CA SER A 50 3.754 -14.124 0.057 1.00 0.00 C ATOM 784 C SER A 50 4.749 -13.016 0.466 1.00 0.00 C ATOM 785 O SER A 50 4.336 -11.965 0.921 1.00 0.00 O ATOM 786 CB SER A 50 4.444 -15.449 -0.282 1.00 0.00 C ATOM 787 OG SER A 50 5.363 -15.242 -1.348 1.00 0.00 O ATOM 0 H SER A 50 3.591 -13.906 -2.057 1.00 0.00 H new ATOM 0 HA SER A 50 3.081 -14.260 0.904 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.966 -15.835 0.594 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.703 -16.196 -0.566 1.00 0.00 H new ATOM 0 HG SER A 50 5.807 -16.088 -1.566 1.00 0.00 H new ATOM 793 N ALA A 51 6.041 -13.216 0.304 1.00 0.00 N ATOM 794 CA ALA A 51 7.014 -12.148 0.679 1.00 0.00 C ATOM 795 C ALA A 51 7.580 -11.478 -0.579 1.00 0.00 C ATOM 796 O ALA A 51 7.996 -10.335 -0.549 1.00 0.00 O ATOM 797 CB ALA A 51 8.121 -12.868 1.450 1.00 0.00 C ATOM 0 H ALA A 51 6.456 -14.070 -0.070 1.00 0.00 H new ATOM 0 HA ALA A 51 6.551 -11.361 1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.877 -12.146 1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.697 -13.350 2.330 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.580 -13.621 0.809 1.00 0.00 H new ATOM 803 N LYS A 52 7.611 -12.187 -1.682 1.00 0.00 N ATOM 804 CA LYS A 52 8.165 -11.604 -2.949 1.00 0.00 C ATOM 805 C LYS A 52 7.476 -10.280 -3.302 1.00 0.00 C ATOM 806 O LYS A 52 8.129 -9.279 -3.530 1.00 0.00 O ATOM 807 CB LYS A 52 7.881 -12.652 -4.029 1.00 0.00 C ATOM 808 CG LYS A 52 8.819 -12.428 -5.218 1.00 0.00 C ATOM 809 CD LYS A 52 8.083 -12.756 -6.519 1.00 0.00 C ATOM 810 CE LYS A 52 8.693 -11.950 -7.669 1.00 0.00 C ATOM 811 NZ LYS A 52 7.535 -11.549 -8.514 1.00 0.00 N ATOM 0 H LYS A 52 7.276 -13.147 -1.761 1.00 0.00 H new ATOM 0 HA LYS A 52 9.228 -11.382 -2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.023 -13.654 -3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.843 -12.583 -4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.163 -11.394 -5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.704 -13.057 -5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.155 -13.823 -6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.023 -12.521 -6.419 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.232 -11.078 -7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.407 -12.548 -8.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.878 -11.050 -9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.006 -12.397 -8.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.910 -10.919 -7.971 1.00 0.00 H new ATOM 825 N ASP A 53 6.166 -10.267 -3.350 1.00 0.00 N ATOM 826 CA ASP A 53 5.442 -9.005 -3.691 1.00 0.00 C ATOM 827 C ASP A 53 4.494 -8.612 -2.556 1.00 0.00 C ATOM 828 O ASP A 53 3.291 -8.540 -2.726 1.00 0.00 O ATOM 829 CB ASP A 53 4.652 -9.323 -4.956 1.00 0.00 C ATOM 830 CG ASP A 53 5.483 -8.973 -6.195 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.271 -8.045 -6.117 1.00 0.00 O ATOM 832 OD2 ASP A 53 5.317 -9.642 -7.201 1.00 0.00 O ATOM 0 H ASP A 53 5.569 -11.074 -3.168 1.00 0.00 H new ATOM 0 HA ASP A 53 6.127 -8.170 -3.838 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.387 -10.380 -4.973 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.719 -8.760 -4.963 1.00 0.00 H new ATOM 837 N LYS A 54 5.040 -8.354 -1.400 1.00 0.00 N ATOM 838 CA LYS A 54 4.204 -7.956 -0.233 1.00 0.00 C ATOM 839 C LYS A 54 5.078 -7.483 0.936 1.00 0.00 C ATOM 840 O LYS A 54 4.674 -6.638 1.713 1.00 0.00 O ATOM 841 CB LYS A 54 3.451 -9.225 0.146 1.00 0.00 C ATOM 842 CG LYS A 54 2.013 -8.870 0.533 1.00 0.00 C ATOM 843 CD LYS A 54 1.370 -10.036 1.280 1.00 0.00 C ATOM 844 CE LYS A 54 1.854 -10.044 2.733 1.00 0.00 C ATOM 845 NZ LYS A 54 0.960 -9.086 3.441 1.00 0.00 N ATOM 0 H LYS A 54 6.041 -8.403 -1.212 1.00 0.00 H new ATOM 0 HA LYS A 54 3.538 -7.127 -0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.452 -9.924 -0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.950 -9.722 0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.006 -7.978 1.159 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.434 -8.637 -0.361 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.284 -9.947 1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.627 -10.978 0.795 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.786 -11.042 3.166 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.897 -9.736 2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.486 -8.623 4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.622 -8.367 2.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.147 -9.599 3.838 1.00 0.00 H new ATOM 859 N GLN A 55 6.264 -8.021 1.071 1.00 0.00 N ATOM 860 CA GLN A 55 7.161 -7.605 2.194 1.00 0.00 C ATOM 861 C GLN A 55 7.779 -6.220 1.930 1.00 0.00 C ATOM 862 O GLN A 55 7.721 -5.360 2.786 1.00 0.00 O ATOM 863 CB GLN A 55 8.254 -8.674 2.256 1.00 0.00 C ATOM 864 CG GLN A 55 7.853 -9.758 3.258 1.00 0.00 C ATOM 865 CD GLN A 55 7.835 -9.169 4.669 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.857 -8.760 5.182 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.708 -9.107 5.324 1.00 0.00 N ATOM 0 H GLN A 55 6.651 -8.732 0.451 1.00 0.00 H new ATOM 0 HA GLN A 55 6.612 -7.523 3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.404 -9.113 1.270 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.201 -8.223 2.552 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.870 -10.155 3.006 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.555 -10.590 3.209 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.849 -9.450 4.894 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.686 -8.715 6.266 1.00 0.00 H new ATOM 876 N PRO A 56 8.369 -6.035 0.765 1.00 0.00 N ATOM 877 CA PRO A 56 8.999 -4.727 0.450 1.00 0.00 C ATOM 878 C PRO A 56 7.944 -3.650 0.151 1.00 0.00 C ATOM 879 O PRO A 56 8.265 -2.480 0.054 1.00 0.00 O ATOM 880 CB PRO A 56 9.842 -5.019 -0.787 1.00 0.00 C ATOM 881 CG PRO A 56 9.199 -6.202 -1.433 1.00 0.00 C ATOM 882 CD PRO A 56 8.511 -6.991 -0.349 1.00 0.00 C ATOM 0 HA PRO A 56 9.584 -4.337 1.283 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.859 -4.163 -1.462 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.876 -5.232 -0.517 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.482 -5.883 -2.189 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.945 -6.815 -1.939 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.541 -7.361 -0.681 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.100 -7.860 -0.055 1.00 0.00 H new ATOM 890 N TYR A 57 6.693 -4.025 0.005 1.00 0.00 N ATOM 891 CA TYR A 57 5.637 -3.009 -0.287 1.00 0.00 C ATOM 892 C TYR A 57 5.074 -2.434 1.014 1.00 0.00 C ATOM 893 O TYR A 57 4.768 -1.258 1.095 1.00 0.00 O ATOM 894 CB TYR A 57 4.553 -3.763 -1.058 1.00 0.00 C ATOM 895 CG TYR A 57 5.027 -4.023 -2.471 1.00 0.00 C ATOM 896 CD1 TYR A 57 5.518 -2.971 -3.256 1.00 0.00 C ATOM 897 CD2 TYR A 57 4.976 -5.319 -2.994 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.959 -3.217 -4.561 1.00 0.00 C ATOM 899 CE2 TYR A 57 5.417 -5.565 -4.299 1.00 0.00 C ATOM 900 CZ TYR A 57 5.909 -4.514 -5.083 1.00 0.00 C ATOM 901 OH TYR A 57 6.344 -4.759 -6.370 1.00 0.00 O ATOM 0 H TYR A 57 6.362 -4.987 0.076 1.00 0.00 H new ATOM 0 HA TYR A 57 6.028 -2.167 -0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.326 -4.706 -0.560 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.631 -3.181 -1.073 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.556 -1.970 -2.853 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.596 -6.130 -2.391 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.338 -2.406 -5.165 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.378 -6.566 -4.702 1.00 0.00 H new ATOM 0 HH TYR A 57 6.072 -4.020 -6.954 1.00 0.00 H new ATOM 911 N GLU A 58 4.946 -3.246 2.032 1.00 0.00 N ATOM 912 CA GLU A 58 4.413 -2.735 3.333 1.00 0.00 C ATOM 913 C GLU A 58 5.467 -1.863 4.025 1.00 0.00 C ATOM 914 O GLU A 58 5.141 -1.006 4.825 1.00 0.00 O ATOM 915 CB GLU A 58 4.087 -3.974 4.176 1.00 0.00 C ATOM 916 CG GLU A 58 5.328 -4.867 4.321 1.00 0.00 C ATOM 917 CD GLU A 58 5.472 -5.321 5.777 1.00 0.00 C ATOM 918 OE1 GLU A 58 4.684 -6.149 6.200 1.00 0.00 O ATOM 919 OE2 GLU A 58 6.369 -4.830 6.443 1.00 0.00 O ATOM 0 H GLU A 58 5.186 -4.237 2.020 1.00 0.00 H new ATOM 0 HA GLU A 58 3.527 -2.116 3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.734 -3.668 5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.279 -4.537 3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.242 -5.734 3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.219 -4.321 4.011 1.00 0.00 H new ATOM 926 N GLN A 59 6.725 -2.061 3.708 1.00 0.00 N ATOM 927 CA GLN A 59 7.796 -1.229 4.332 1.00 0.00 C ATOM 928 C GLN A 59 7.801 0.154 3.677 1.00 0.00 C ATOM 929 O GLN A 59 7.502 1.147 4.310 1.00 0.00 O ATOM 930 CB GLN A 59 9.105 -1.967 4.043 1.00 0.00 C ATOM 931 CG GLN A 59 9.214 -3.188 4.957 1.00 0.00 C ATOM 932 CD GLN A 59 9.422 -2.727 6.402 1.00 0.00 C ATOM 933 OE1 GLN A 59 10.542 -2.560 6.843 1.00 0.00 O ATOM 934 NE2 GLN A 59 8.382 -2.514 7.161 1.00 0.00 N ATOM 0 H GLN A 59 7.053 -2.763 3.045 1.00 0.00 H new ATOM 0 HA GLN A 59 7.650 -1.088 5.403 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.137 -2.277 2.999 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.953 -1.302 4.204 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.310 -3.792 4.883 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.045 -3.818 4.642 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.442 -2.654 6.790 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.509 -2.207 8.125 1.00 0.00 H new ATOM 943 N LYS A 60 8.146 0.220 2.410 1.00 0.00 N ATOM 944 CA LYS A 60 8.185 1.534 1.679 1.00 0.00 C ATOM 945 C LYS A 60 6.928 2.372 1.964 1.00 0.00 C ATOM 946 O LYS A 60 6.969 3.588 1.936 1.00 0.00 O ATOM 947 CB LYS A 60 8.245 1.158 0.198 1.00 0.00 C ATOM 948 CG LYS A 60 8.729 2.359 -0.617 1.00 0.00 C ATOM 949 CD LYS A 60 8.297 2.193 -2.075 1.00 0.00 C ATOM 950 CE LYS A 60 9.316 2.873 -2.992 1.00 0.00 C ATOM 951 NZ LYS A 60 10.323 1.819 -3.296 1.00 0.00 N ATOM 0 H LYS A 60 8.405 -0.588 1.844 1.00 0.00 H new ATOM 0 HA LYS A 60 9.034 2.141 1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.918 0.313 0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.260 0.844 -0.148 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.316 3.281 -0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.814 2.441 -0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.218 1.135 -2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.310 2.630 -2.224 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.844 3.242 -3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.777 3.731 -2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.056 2.210 -3.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.761 1.492 -2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.856 1.018 -3.768 1.00 0.00 H new ATOM 965 N ALA A 61 5.824 1.730 2.263 1.00 0.00 N ATOM 966 CA ALA A 61 4.581 2.491 2.580 1.00 0.00 C ATOM 967 C ALA A 61 4.576 2.830 4.068 1.00 0.00 C ATOM 968 O ALA A 61 4.156 3.896 4.473 1.00 0.00 O ATOM 969 CB ALA A 61 3.425 1.551 2.240 1.00 0.00 C ATOM 0 H ALA A 61 5.733 0.715 2.300 1.00 0.00 H new ATOM 0 HA ALA A 61 4.505 3.424 2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.478 2.048 2.450 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.470 1.286 1.184 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.502 0.647 2.844 1.00 0.00 H new ATOM 975 N ALA A 62 5.059 1.924 4.886 1.00 0.00 N ATOM 976 CA ALA A 62 5.106 2.182 6.360 1.00 0.00 C ATOM 977 C ALA A 62 5.899 3.463 6.638 1.00 0.00 C ATOM 978 O ALA A 62 5.432 4.353 7.325 1.00 0.00 O ATOM 979 CB ALA A 62 5.819 0.969 6.962 1.00 0.00 C ATOM 0 H ALA A 62 5.423 1.016 4.595 1.00 0.00 H new ATOM 0 HA ALA A 62 4.112 2.316 6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.890 1.088 8.043 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.255 0.065 6.733 1.00 0.00 H new ATOM 0 HB3 ALA A 62 6.820 0.889 6.539 1.00 0.00 H new ATOM 985 N LYS A 63 7.087 3.569 6.092 1.00 0.00 N ATOM 986 CA LYS A 63 7.905 4.804 6.304 1.00 0.00 C ATOM 987 C LYS A 63 7.254 6.002 5.597 1.00 0.00 C ATOM 988 O LYS A 63 7.603 7.140 5.849 1.00 0.00 O ATOM 989 CB LYS A 63 9.270 4.496 5.682 1.00 0.00 C ATOM 990 CG LYS A 63 10.308 5.506 6.184 1.00 0.00 C ATOM 991 CD LYS A 63 11.161 4.866 7.282 1.00 0.00 C ATOM 992 CE LYS A 63 10.336 4.740 8.564 1.00 0.00 C ATOM 993 NZ LYS A 63 11.265 4.141 9.562 1.00 0.00 N ATOM 0 H LYS A 63 7.524 2.855 5.510 1.00 0.00 H new ATOM 0 HA LYS A 63 7.988 5.062 7.360 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.579 3.484 5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.203 4.539 4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.943 5.830 5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.808 6.395 6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.507 3.883 6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.048 5.471 7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.973 5.712 8.897 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.461 4.108 8.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.771 4.023 10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.589 3.213 9.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.085 4.768 9.693 1.00 0.00 H new ATOM 1007 N LEU A 64 6.297 5.757 4.727 1.00 0.00 N ATOM 1008 CA LEU A 64 5.614 6.880 4.024 1.00 0.00 C ATOM 1009 C LEU A 64 4.433 7.353 4.871 1.00 0.00 C ATOM 1010 O LEU A 64 4.134 8.530 4.936 1.00 0.00 O ATOM 1011 CB LEU A 64 5.129 6.290 2.699 1.00 0.00 C ATOM 1012 CG LEU A 64 6.230 6.425 1.646 1.00 0.00 C ATOM 1013 CD1 LEU A 64 5.852 5.613 0.405 1.00 0.00 C ATOM 1014 CD2 LEU A 64 6.389 7.897 1.262 1.00 0.00 C ATOM 0 H LEU A 64 5.964 4.825 4.478 1.00 0.00 H new ATOM 0 HA LEU A 64 6.267 7.737 3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.864 5.241 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.228 6.806 2.367 1.00 0.00 H new ATOM 0 HG LEU A 64 7.170 6.051 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.637 5.709 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.737 4.564 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.913 5.987 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.173 7.995 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.449 8.270 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.658 8.476 2.145 1.00 0.00 H new ATOM 1026 N LYS A 65 3.776 6.436 5.534 1.00 0.00 N ATOM 1027 CA LYS A 65 2.624 6.816 6.402 1.00 0.00 C ATOM 1028 C LYS A 65 3.134 7.682 7.555 1.00 0.00 C ATOM 1029 O LYS A 65 2.691 8.797 7.757 1.00 0.00 O ATOM 1030 CB LYS A 65 2.056 5.495 6.928 1.00 0.00 C ATOM 1031 CG LYS A 65 0.836 5.774 7.808 1.00 0.00 C ATOM 1032 CD LYS A 65 -0.020 4.511 7.908 1.00 0.00 C ATOM 1033 CE LYS A 65 0.636 3.524 8.876 1.00 0.00 C ATOM 1034 NZ LYS A 65 -0.201 2.295 8.798 1.00 0.00 N ATOM 0 H LYS A 65 3.989 5.439 5.511 1.00 0.00 H new ATOM 0 HA LYS A 65 1.864 7.387 5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.776 4.851 6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.816 4.963 7.501 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.155 6.089 8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.250 6.591 7.387 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.022 4.765 8.254 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.129 4.054 6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.668 3.318 8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.659 3.922 9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.186 1.570 9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.176 2.520 9.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.199 1.935 7.822 1.00 0.00 H new ATOM 1048 N GLU A 66 4.077 7.169 8.309 1.00 0.00 N ATOM 1049 CA GLU A 66 4.649 7.944 9.459 1.00 0.00 C ATOM 1050 C GLU A 66 5.091 9.339 8.996 1.00 0.00 C ATOM 1051 O GLU A 66 5.016 10.302 9.737 1.00 0.00 O ATOM 1052 CB GLU A 66 5.856 7.132 9.930 1.00 0.00 C ATOM 1053 CG GLU A 66 5.373 5.877 10.662 1.00 0.00 C ATOM 1054 CD GLU A 66 6.572 4.988 10.996 1.00 0.00 C ATOM 1055 OE1 GLU A 66 7.480 5.474 11.650 1.00 0.00 O ATOM 1056 OE2 GLU A 66 6.561 3.837 10.592 1.00 0.00 O ATOM 0 H GLU A 66 4.478 6.241 8.177 1.00 0.00 H new ATOM 0 HA GLU A 66 3.920 8.089 10.256 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.475 6.853 9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.478 7.735 10.592 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.848 6.155 11.576 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.664 5.331 10.040 1.00 0.00 H new ATOM 1063 N LYS A 67 5.538 9.450 7.770 1.00 0.00 N ATOM 1064 CA LYS A 67 5.972 10.781 7.242 1.00 0.00 C ATOM 1065 C LYS A 67 4.759 11.708 7.114 1.00 0.00 C ATOM 1066 O LYS A 67 4.879 12.916 7.194 1.00 0.00 O ATOM 1067 CB LYS A 67 6.577 10.495 5.866 1.00 0.00 C ATOM 1068 CG LYS A 67 7.484 11.657 5.455 1.00 0.00 C ATOM 1069 CD LYS A 67 8.000 11.425 4.034 1.00 0.00 C ATOM 1070 CE LYS A 67 9.162 12.381 3.751 1.00 0.00 C ATOM 1071 NZ LYS A 67 8.531 13.721 3.601 1.00 0.00 N ATOM 0 H LYS A 67 5.621 8.676 7.111 1.00 0.00 H new ATOM 0 HA LYS A 67 6.689 11.273 7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.148 9.567 5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.785 10.360 5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.934 12.597 5.504 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.321 11.741 6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.329 10.392 3.919 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.198 11.587 3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.886 12.375 4.566 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.698 12.094 2.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.921 14.196 2.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.503 13.610 3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.728 14.294 4.446 1.00 0.00 H new ATOM 1085 N TYR A 68 3.590 11.145 6.929 1.00 0.00 N ATOM 1086 CA TYR A 68 2.357 11.982 6.810 1.00 0.00 C ATOM 1087 C TYR A 68 2.048 12.624 8.163 1.00 0.00 C ATOM 1088 O TYR A 68 1.619 13.758 8.244 1.00 0.00 O ATOM 1089 CB TYR A 68 1.249 11.002 6.411 1.00 0.00 C ATOM 1090 CG TYR A 68 0.017 11.756 5.967 1.00 0.00 C ATOM 1091 CD1 TYR A 68 0.116 12.756 4.992 1.00 0.00 C ATOM 1092 CD2 TYR A 68 -1.230 11.445 6.526 1.00 0.00 C ATOM 1093 CE1 TYR A 68 -1.030 13.445 4.576 1.00 0.00 C ATOM 1094 CE2 TYR A 68 -2.375 12.135 6.112 1.00 0.00 C ATOM 1095 CZ TYR A 68 -2.275 13.134 5.137 1.00 0.00 C ATOM 1096 OH TYR A 68 -3.405 13.813 4.727 1.00 0.00 O ATOM 0 H TYR A 68 3.437 10.139 6.855 1.00 0.00 H new ATOM 0 HA TYR A 68 2.461 12.787 6.083 1.00 0.00 H new ATOM 0 HB2 TYR A 68 1.598 10.356 5.606 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.004 10.356 7.254 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.077 12.996 4.561 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -1.307 10.672 7.277 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.954 14.216 3.823 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.335 11.897 6.545 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.185 13.474 5.214 1.00 0.00 H new ATOM 1106 N GLU A 69 2.267 11.896 9.226 1.00 0.00 N ATOM 1107 CA GLU A 69 1.996 12.439 10.596 1.00 0.00 C ATOM 1108 C GLU A 69 2.817 13.713 10.828 1.00 0.00 C ATOM 1109 O GLU A 69 2.338 14.676 11.395 1.00 0.00 O ATOM 1110 CB GLU A 69 2.434 11.336 11.563 1.00 0.00 C ATOM 1111 CG GLU A 69 1.621 10.066 11.296 1.00 0.00 C ATOM 1112 CD GLU A 69 1.430 9.297 12.606 1.00 0.00 C ATOM 1113 OE1 GLU A 69 0.774 9.825 13.489 1.00 0.00 O ATOM 1114 OE2 GLU A 69 1.943 8.195 12.702 1.00 0.00 O ATOM 0 H GLU A 69 2.625 10.941 9.207 1.00 0.00 H new ATOM 0 HA GLU A 69 0.947 12.703 10.733 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.498 11.132 11.440 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.289 11.663 12.593 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.652 10.325 10.869 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.134 9.440 10.566 1.00 0.00 H new ATOM 1121 N LYS A 70 4.044 13.722 10.375 1.00 0.00 N ATOM 1122 CA LYS A 70 4.904 14.933 10.542 1.00 0.00 C ATOM 1123 C LYS A 70 4.535 15.960 9.472 1.00 0.00 C ATOM 1124 O LYS A 70 4.613 17.156 9.686 1.00 0.00 O ATOM 1125 CB LYS A 70 6.338 14.438 10.346 1.00 0.00 C ATOM 1126 CG LYS A 70 6.759 13.599 11.555 1.00 0.00 C ATOM 1127 CD LYS A 70 8.168 13.049 11.329 1.00 0.00 C ATOM 1128 CE LYS A 70 8.392 11.831 12.228 1.00 0.00 C ATOM 1129 NZ LYS A 70 9.487 11.065 11.571 1.00 0.00 N ATOM 0 H LYS A 70 4.489 12.940 9.895 1.00 0.00 H new ATOM 0 HA LYS A 70 4.779 15.411 11.514 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.407 13.843 9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.013 15.285 10.225 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.735 14.207 12.459 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.057 12.779 11.704 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.298 12.771 10.283 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.909 13.817 11.549 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.671 12.132 13.238 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.486 11.231 12.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.698 10.213 12.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.190 10.787 10.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.338 11.659 11.510 1.00 0.00 H new ATOM 1143 N ASP A 71 4.109 15.491 8.328 1.00 0.00 N ATOM 1144 CA ASP A 71 3.698 16.416 7.232 1.00 0.00 C ATOM 1145 C ASP A 71 2.384 17.094 7.618 1.00 0.00 C ATOM 1146 O ASP A 71 2.248 18.300 7.554 1.00 0.00 O ATOM 1147 CB ASP A 71 3.507 15.518 6.006 1.00 0.00 C ATOM 1148 CG ASP A 71 4.736 15.614 5.101 1.00 0.00 C ATOM 1149 OD1 ASP A 71 5.767 15.079 5.476 1.00 0.00 O ATOM 1150 OD2 ASP A 71 4.626 16.219 4.047 1.00 0.00 O ATOM 0 H ASP A 71 4.028 14.499 8.105 1.00 0.00 H new ATOM 0 HA ASP A 71 4.429 17.202 7.040 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.354 14.485 6.320 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.615 15.820 5.457 1.00 0.00 H new ATOM 1155 N ILE A 72 1.423 16.311 8.032 1.00 0.00 N ATOM 1156 CA ILE A 72 0.106 16.878 8.445 1.00 0.00 C ATOM 1157 C ILE A 72 0.273 17.645 9.766 1.00 0.00 C ATOM 1158 O ILE A 72 -0.347 18.666 9.980 1.00 0.00 O ATOM 1159 CB ILE A 72 -0.815 15.650 8.604 1.00 0.00 C ATOM 1160 CG1 ILE A 72 -1.170 15.093 7.217 1.00 0.00 C ATOM 1161 CG2 ILE A 72 -2.108 16.022 9.349 1.00 0.00 C ATOM 1162 CD1 ILE A 72 -1.934 16.142 6.394 1.00 0.00 C ATOM 0 H ILE A 72 1.495 15.296 8.102 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.307 17.586 7.727 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.285 14.896 9.186 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.260 14.803 6.692 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.777 14.194 7.324 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.738 15.138 9.447 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.860 16.403 10.340 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.643 16.789 8.789 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.177 15.730 5.415 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.854 16.412 6.913 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.314 17.030 6.270 1.00 0.00 H new ATOM 1174 N ALA A 73 1.101 17.147 10.654 1.00 0.00 N ATOM 1175 CA ALA A 73 1.313 17.831 11.976 1.00 0.00 C ATOM 1176 C ALA A 73 1.597 19.328 11.786 1.00 0.00 C ATOM 1177 O ALA A 73 1.219 20.147 12.604 1.00 0.00 O ATOM 1178 CB ALA A 73 2.524 17.136 12.599 1.00 0.00 C ATOM 0 H ALA A 73 1.643 16.293 10.522 1.00 0.00 H new ATOM 0 HA ALA A 73 0.427 17.762 12.607 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.740 17.583 13.569 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.308 16.075 12.728 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.388 17.254 11.945 1.00 0.00 H new ATOM 1184 N ALA A 74 2.240 19.687 10.706 1.00 0.00 N ATOM 1185 CA ALA A 74 2.531 21.128 10.449 1.00 0.00 C ATOM 1186 C ALA A 74 1.293 21.787 9.839 1.00 0.00 C ATOM 1187 O ALA A 74 0.755 22.740 10.370 1.00 0.00 O ATOM 1188 CB ALA A 74 3.692 21.132 9.455 1.00 0.00 C ATOM 0 H ALA A 74 2.577 19.043 9.990 1.00 0.00 H new ATOM 0 HA ALA A 74 2.784 21.678 11.355 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.964 22.160 9.217 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.549 20.623 9.895 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.392 20.616 8.543 1.00 0.00 H new ATOM 1194 N TYR A 75 0.838 21.272 8.728 1.00 0.00 N ATOM 1195 CA TYR A 75 -0.375 21.843 8.064 1.00 0.00 C ATOM 1196 C TYR A 75 -1.587 21.786 9.009 1.00 0.00 C ATOM 1197 O TYR A 75 -2.556 22.497 8.821 1.00 0.00 O ATOM 1198 CB TYR A 75 -0.612 20.955 6.840 1.00 0.00 C ATOM 1199 CG TYR A 75 -1.750 21.515 6.020 1.00 0.00 C ATOM 1200 CD1 TYR A 75 -1.575 22.699 5.296 1.00 0.00 C ATOM 1201 CD2 TYR A 75 -2.981 20.847 5.985 1.00 0.00 C ATOM 1202 CE1 TYR A 75 -2.631 23.218 4.537 1.00 0.00 C ATOM 1203 CE2 TYR A 75 -4.036 21.366 5.226 1.00 0.00 C ATOM 1204 CZ TYR A 75 -3.862 22.551 4.502 1.00 0.00 C ATOM 1205 OH TYR A 75 -4.903 23.062 3.754 1.00 0.00 O ATOM 0 H TYR A 75 1.256 20.475 8.247 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.237 22.890 7.793 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.294 20.902 6.236 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.844 19.938 7.156 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.625 23.213 5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.116 19.932 6.543 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -2.496 24.133 3.979 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.985 20.852 5.199 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.685 22.477 3.838 1.00 0.00 H new ATOM 1215 N ARG A 76 -1.539 20.950 10.019 1.00 0.00 N ATOM 1216 CA ARG A 76 -2.689 20.850 10.970 1.00 0.00 C ATOM 1217 C ARG A 76 -2.813 22.138 11.788 1.00 0.00 C ATOM 1218 O ARG A 76 -3.814 22.827 11.728 1.00 0.00 O ATOM 1219 CB ARG A 76 -2.359 19.667 11.884 1.00 0.00 C ATOM 1220 CG ARG A 76 -3.542 19.400 12.817 1.00 0.00 C ATOM 1221 CD ARG A 76 -3.321 18.080 13.560 1.00 0.00 C ATOM 1222 NE ARG A 76 -4.480 17.963 14.486 1.00 0.00 N ATOM 1223 CZ ARG A 76 -5.502 17.219 14.161 1.00 0.00 C ATOM 1224 NH1 ARG A 76 -5.374 15.922 14.103 1.00 0.00 N ATOM 1225 NH2 ARG A 76 -6.654 17.773 13.894 1.00 0.00 N ATOM 0 H ARG A 76 -0.753 20.333 10.225 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.637 20.708 10.450 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.145 18.780 11.287 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.463 19.882 12.467 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.648 20.217 13.530 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.468 19.356 12.244 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.282 17.239 12.868 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.378 18.087 14.106 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.476 18.464 15.374 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.475 15.488 14.312 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.173 15.342 13.849 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.755 18.787 13.939 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.453 17.192 13.640 1.00 0.00 H new ATOM 1239 N ALA A 77 -1.799 22.467 12.550 1.00 0.00 N ATOM 1240 CA ALA A 77 -1.851 23.713 13.376 1.00 0.00 C ATOM 1241 C ALA A 77 -1.895 24.943 12.474 1.00 0.00 C ATOM 1242 O ALA A 77 -2.834 25.716 12.499 1.00 0.00 O ATOM 1243 CB ALA A 77 -0.565 23.702 14.206 1.00 0.00 C ATOM 0 H ALA A 77 -0.938 21.927 12.636 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.739 23.749 14.007 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.533 24.589 14.839 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.543 22.809 14.831 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.298 23.700 13.540 1.00 0.00 H new ATOM 1249 N LYS A 78 -0.879 25.122 11.682 1.00 0.00 N ATOM 1250 CA LYS A 78 -0.829 26.297 10.762 1.00 0.00 C ATOM 1251 C LYS A 78 -1.537 25.967 9.445 1.00 0.00 C ATOM 1252 O LYS A 78 -2.369 26.758 9.029 1.00 0.00 O ATOM 1253 CB LYS A 78 0.660 26.549 10.522 1.00 0.00 C ATOM 1254 CG LYS A 78 0.849 27.931 9.893 1.00 0.00 C ATOM 1255 CD LYS A 78 2.142 27.947 9.076 1.00 0.00 C ATOM 1256 CE LYS A 78 1.876 27.365 7.685 1.00 0.00 C ATOM 1257 NZ LYS A 78 3.155 27.543 6.943 1.00 0.00 N ATOM 1258 OXT LYS A 78 -1.235 24.932 8.875 1.00 0.00 O ATOM 0 H LYS A 78 -0.072 24.501 11.629 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.328 27.171 11.180 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.206 26.488 11.463 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.069 25.780 9.866 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.001 28.171 9.254 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.888 28.694 10.670 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.517 28.967 8.989 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.912 27.366 9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.597 26.313 7.744 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.056 27.885 7.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.052 27.168 5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.392 28.555 6.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.915 27.031 7.434 1.00 0.00 H new TER 1272 LYS A 78