USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 733 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 NoAdj-H: A 10 HIS HD1 : A 10 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HD1 : A 60 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 75 ASN : amide:sc= -2.66! C(o=-7.9!,f=-17!) USER MOD Set 1.2: A 77 THR OG1 : rot 91:sc= -5.21! USER MOD Set 2.1: A 61 SER OG : rot 129:sc= 0.0224 USER MOD Set 2.2: A 73 THR OG1 : rot 116:sc= 0.57 USER MOD Set 3.1: A 31 GLN : amide:sc= -8.08! C(o=-8.2!,f=-10!) USER MOD Set 3.2: A 32 SER OG : rot 104:sc= -0.123 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 67:sc= 1.13 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.424 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 156:sc= 0.625 (180deg=0.265) USER MOD Single : A 26 SER OG : rot -51:sc= -0.768 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.04! USER MOD Single : A 39 ASN : amide:sc= -0.535 K(o=-0.53,f=-2.5) USER MOD Single : A 45 GLN : amide:sc= -7.19! K(o=-7.2!,f=-4) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -160:sc= -1.5! USER MOD Single : A 62 THR OG1 : rot -71:sc= 0.857 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -173:sc= -0.218 (180deg=-0.259) USER MOD Single : A 69 LYS NZ :NH3+ -153:sc= -0.0691 (180deg=-0.398) USER MOD Single : A 71 ASN : amide:sc= -4.12! C(o=-4.1!,f=-4.1!) USER MOD Single : A 78 THR OG1 : rot -90:sc= -1.75! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0.167 K(o=0.17,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.355 -8.012 -1.265 1.00 0.00 N ATOM 2 CA MET A 1 18.135 -6.868 -1.816 1.00 0.00 C ATOM 3 C MET A 1 17.611 -5.559 -1.220 1.00 0.00 C ATOM 4 O MET A 1 16.739 -4.920 -1.773 1.00 0.00 O ATOM 5 CB MET A 1 17.980 -6.832 -3.338 1.00 0.00 C ATOM 6 CG MET A 1 19.011 -5.870 -3.933 1.00 0.00 C ATOM 7 SD MET A 1 18.788 -5.783 -5.730 1.00 0.00 S ATOM 8 CE MET A 1 20.431 -6.374 -6.204 1.00 0.00 C ATOM 0 H1 MET A 1 17.711 -8.902 -1.670 1.00 0.00 H new ATOM 0 H2 MET A 1 17.458 -8.036 -0.230 1.00 0.00 H new ATOM 0 H3 MET A 1 16.351 -7.897 -1.510 1.00 0.00 H new ATOM 0 HA MET A 1 19.188 -6.989 -1.560 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.117 -7.831 -3.752 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.972 -6.512 -3.604 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.896 -4.879 -3.493 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.020 -6.209 -3.697 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.509 -6.398 -7.291 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.189 -5.703 -5.800 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.585 -7.377 -5.807 1.00 0.00 H new ATOM 18 N GLY A 2 18.137 -5.157 -0.096 1.00 0.00 N ATOM 19 CA GLY A 2 17.668 -3.890 0.534 1.00 0.00 C ATOM 20 C GLY A 2 18.724 -3.387 1.519 1.00 0.00 C ATOM 21 O GLY A 2 19.733 -4.027 1.744 1.00 0.00 O ATOM 0 H GLY A 2 18.870 -5.650 0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 2 17.483 -3.137 -0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 2 16.723 -4.057 1.051 1.00 0.00 H new ATOM 25 N ASP A 3 18.503 -2.244 2.109 1.00 0.00 N ATOM 26 CA ASP A 3 19.494 -1.701 3.079 1.00 0.00 C ATOM 27 C ASP A 3 18.887 -0.500 3.806 1.00 0.00 C ATOM 28 O ASP A 3 19.112 0.637 3.442 1.00 0.00 O ATOM 29 CB ASP A 3 20.754 -1.263 2.329 1.00 0.00 C ATOM 30 CG ASP A 3 20.358 -0.500 1.065 1.00 0.00 C ATOM 31 OD1 ASP A 3 21.028 -0.668 0.059 1.00 0.00 O ATOM 32 OD2 ASP A 3 19.390 0.241 1.123 1.00 0.00 O ATOM 0 H ASP A 3 17.678 -1.663 1.961 1.00 0.00 H new ATOM 0 HA ASP A 3 19.754 -2.471 3.805 1.00 0.00 H new ATOM 0 HB2 ASP A 3 21.370 -0.632 2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 3 21.355 -2.134 2.067 1.00 0.00 H new ATOM 37 N SER A 4 18.117 -0.742 4.832 1.00 0.00 N ATOM 38 CA SER A 4 17.495 0.384 5.579 1.00 0.00 C ATOM 39 C SER A 4 16.530 -0.177 6.627 1.00 0.00 C ATOM 40 O SER A 4 16.439 -1.371 6.824 1.00 0.00 O ATOM 41 CB SER A 4 16.736 1.284 4.601 1.00 0.00 C ATOM 42 OG SER A 4 17.584 2.350 4.191 1.00 0.00 O ATOM 0 H SER A 4 17.893 -1.673 5.184 1.00 0.00 H new ATOM 0 HA SER A 4 18.268 0.969 6.078 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.412 0.708 3.735 1.00 0.00 H new ATOM 0 HB3 SER A 4 15.838 1.680 5.075 1.00 0.00 H new ATOM 0 HG SER A 4 18.322 1.993 3.654 1.00 0.00 H new ATOM 48 N ARG A 5 15.808 0.681 7.296 1.00 0.00 N ATOM 49 CA ARG A 5 14.840 0.210 8.331 1.00 0.00 C ATOM 50 C ARG A 5 13.415 0.445 7.822 1.00 0.00 C ATOM 51 O ARG A 5 12.558 -0.410 7.923 1.00 0.00 O ATOM 52 CB ARG A 5 15.061 0.993 9.636 1.00 0.00 C ATOM 53 CG ARG A 5 15.921 2.230 9.358 1.00 0.00 C ATOM 54 CD ARG A 5 15.842 3.187 10.549 1.00 0.00 C ATOM 55 NE ARG A 5 14.524 3.881 10.543 1.00 0.00 N ATOM 56 CZ ARG A 5 14.285 4.821 9.670 1.00 0.00 C ATOM 57 NH1 ARG A 5 13.131 5.430 9.665 1.00 0.00 N ATOM 58 NH2 ARG A 5 15.201 5.153 8.802 1.00 0.00 N ATOM 0 H ARG A 5 15.846 1.692 7.170 1.00 0.00 H new ATOM 0 HA ARG A 5 14.991 -0.852 8.523 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.102 1.293 10.058 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.550 0.357 10.374 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.956 1.935 9.184 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.576 2.730 8.453 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.970 2.636 11.481 1.00 0.00 H new ATOM 0 HD3 ARG A 5 16.650 3.917 10.496 1.00 0.00 H new ATOM 0 HE ARG A 5 13.808 3.621 11.222 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.415 5.171 10.344 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.945 6.165 8.982 1.00 0.00 H new ATOM 0 HH21 ARG A 5 16.104 4.678 8.806 1.00 0.00 H new ATOM 0 HH22 ARG A 5 15.014 5.888 8.119 1.00 0.00 H new ATOM 72 N ASP A 6 13.163 1.599 7.272 1.00 0.00 N ATOM 73 CA ASP A 6 11.801 1.900 6.750 1.00 0.00 C ATOM 74 C ASP A 6 11.548 1.074 5.485 1.00 0.00 C ATOM 75 O ASP A 6 10.426 0.739 5.164 1.00 0.00 O ATOM 76 CB ASP A 6 11.711 3.396 6.420 1.00 0.00 C ATOM 77 CG ASP A 6 10.356 3.949 6.869 1.00 0.00 C ATOM 78 OD1 ASP A 6 10.296 5.127 7.184 1.00 0.00 O ATOM 79 OD2 ASP A 6 9.406 3.187 6.893 1.00 0.00 O ATOM 0 H ASP A 6 13.844 2.350 7.161 1.00 0.00 H new ATOM 0 HA ASP A 6 11.051 1.647 7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 6 12.517 3.936 6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.839 3.549 5.348 1.00 0.00 H new ATOM 84 N LEU A 7 12.585 0.749 4.761 1.00 0.00 N ATOM 85 CA LEU A 7 12.405 -0.048 3.514 1.00 0.00 C ATOM 86 C LEU A 7 12.030 -1.492 3.876 1.00 0.00 C ATOM 87 O LEU A 7 12.273 -1.949 4.975 1.00 0.00 O ATOM 88 CB LEU A 7 13.708 0.018 2.680 1.00 0.00 C ATOM 89 CG LEU A 7 14.604 -1.230 2.860 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.800 -1.562 4.349 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.997 -2.439 2.121 1.00 0.00 C ATOM 0 H LEU A 7 13.549 1.001 4.979 1.00 0.00 H new ATOM 0 HA LEU A 7 11.595 0.362 2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 7 13.453 0.127 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.271 0.907 2.965 1.00 0.00 H new ATOM 0 HG LEU A 7 15.580 -1.007 2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.434 -2.444 4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.274 -0.718 4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.831 -1.760 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.639 -3.309 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.007 -2.652 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.915 -2.212 1.058 1.00 0.00 H new ATOM 103 N CYS A 8 11.427 -2.210 2.961 1.00 0.00 N ATOM 104 CA CYS A 8 11.027 -3.626 3.240 1.00 0.00 C ATOM 105 C CYS A 8 11.569 -4.530 2.125 1.00 0.00 C ATOM 106 O CYS A 8 11.869 -4.078 1.040 1.00 0.00 O ATOM 107 CB CYS A 8 9.488 -3.736 3.313 1.00 0.00 C ATOM 108 SG CYS A 8 8.891 -5.023 2.168 1.00 0.00 S ATOM 0 H CYS A 8 11.193 -1.875 2.027 1.00 0.00 H new ATOM 0 HA CYS A 8 11.443 -3.941 4.197 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.182 -3.975 4.331 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.036 -2.777 3.061 1.00 0.00 H new ATOM 113 N PRO A 9 11.693 -5.799 2.397 1.00 0.00 N ATOM 114 CA PRO A 9 12.207 -6.804 1.411 1.00 0.00 C ATOM 115 C PRO A 9 11.362 -6.830 0.134 1.00 0.00 C ATOM 116 O PRO A 9 11.854 -6.644 -0.960 1.00 0.00 O ATOM 117 CB PRO A 9 12.072 -8.141 2.161 1.00 0.00 C ATOM 118 CG PRO A 9 11.080 -7.869 3.239 1.00 0.00 C ATOM 119 CD PRO A 9 11.349 -6.437 3.670 1.00 0.00 C ATOM 0 HA PRO A 9 13.224 -6.581 1.089 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.729 -8.935 1.498 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.028 -8.462 2.574 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.059 -7.986 2.875 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.203 -8.561 4.072 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.475 -5.979 4.134 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.163 -6.374 4.392 1.00 0.00 H new ATOM 127 N HIS A 10 10.090 -7.063 0.282 1.00 0.00 N ATOM 128 CA HIS A 10 9.183 -7.109 -0.905 1.00 0.00 C ATOM 129 C HIS A 10 8.946 -5.686 -1.406 1.00 0.00 C ATOM 130 O HIS A 10 8.227 -5.461 -2.359 1.00 0.00 O ATOM 131 CB HIS A 10 7.843 -7.757 -0.514 1.00 0.00 C ATOM 132 CG HIS A 10 8.088 -8.819 0.519 1.00 0.00 C ATOM 133 ND1 HIS A 10 8.118 -8.546 1.887 1.00 0.00 N ATOM 134 CD2 HIS A 10 8.319 -10.166 0.397 1.00 0.00 C ATOM 135 CE1 HIS A 10 8.359 -9.715 2.515 1.00 0.00 C ATOM 136 NE2 HIS A 10 8.488 -10.724 1.655 1.00 0.00 N ATOM 0 H HIS A 10 9.633 -7.225 1.179 1.00 0.00 H new ATOM 0 HA HIS A 10 9.643 -7.703 -1.695 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.162 -7.002 -0.122 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.366 -8.191 -1.393 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.363 -10.708 -0.536 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.438 -9.820 3.587 1.00 0.00 H new ATOM 0 HE2 HIS A 10 8.673 -11.703 1.876 1.00 0.00 H new ATOM 144 N LEU A 11 9.548 -4.727 -0.766 1.00 0.00 N ATOM 145 CA LEU A 11 9.369 -3.312 -1.188 1.00 0.00 C ATOM 146 C LEU A 11 10.087 -3.079 -2.518 1.00 0.00 C ATOM 147 O LEU A 11 9.730 -2.202 -3.281 1.00 0.00 O ATOM 148 CB LEU A 11 9.952 -2.400 -0.106 1.00 0.00 C ATOM 149 CG LEU A 11 9.466 -0.953 -0.304 1.00 0.00 C ATOM 150 CD1 LEU A 11 9.188 -0.309 1.059 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.542 -0.143 -1.037 1.00 0.00 C ATOM 0 H LEU A 11 10.161 -4.863 0.038 1.00 0.00 H new ATOM 0 HA LEU A 11 8.310 -3.090 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.655 -2.758 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.041 -2.433 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 11 8.550 -0.962 -0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.844 0.715 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.420 -0.879 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.102 -0.304 1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.195 0.881 -1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.459 -0.139 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.738 -0.595 -2.009 1.00 0.00 H new ATOM 163 N ASP A 12 11.090 -3.857 -2.806 1.00 0.00 N ATOM 164 CA ASP A 12 11.826 -3.685 -4.090 1.00 0.00 C ATOM 165 C ASP A 12 11.135 -4.503 -5.181 1.00 0.00 C ATOM 166 O ASP A 12 11.311 -4.263 -6.358 1.00 0.00 O ATOM 167 CB ASP A 12 13.262 -4.182 -3.920 1.00 0.00 C ATOM 168 CG ASP A 12 14.024 -4.002 -5.233 1.00 0.00 C ATOM 169 OD1 ASP A 12 14.184 -2.866 -5.652 1.00 0.00 O ATOM 170 OD2 ASP A 12 14.436 -5.001 -5.799 1.00 0.00 O ATOM 0 H ASP A 12 11.434 -4.607 -2.207 1.00 0.00 H new ATOM 0 HA ASP A 12 11.833 -2.632 -4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.757 -3.629 -3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.262 -5.232 -3.628 1.00 0.00 H new ATOM 175 N SER A 13 10.358 -5.476 -4.794 1.00 0.00 N ATOM 176 CA SER A 13 9.660 -6.323 -5.802 1.00 0.00 C ATOM 177 C SER A 13 8.400 -5.612 -6.305 1.00 0.00 C ATOM 178 O SER A 13 7.874 -5.936 -7.352 1.00 0.00 O ATOM 179 CB SER A 13 9.269 -7.653 -5.156 1.00 0.00 C ATOM 180 OG SER A 13 8.848 -8.560 -6.167 1.00 0.00 O ATOM 0 H SER A 13 10.176 -5.722 -3.821 1.00 0.00 H new ATOM 0 HA SER A 13 10.327 -6.501 -6.645 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.116 -8.068 -4.609 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.468 -7.498 -4.434 1.00 0.00 H new ATOM 0 HG SER A 13 8.598 -9.414 -5.757 1.00 0.00 H new ATOM 186 N ILE A 14 7.903 -4.654 -5.570 1.00 0.00 N ATOM 187 CA ILE A 14 6.669 -3.940 -6.016 1.00 0.00 C ATOM 188 C ILE A 14 7.041 -2.746 -6.900 1.00 0.00 C ATOM 189 O ILE A 14 6.187 -2.108 -7.484 1.00 0.00 O ATOM 190 CB ILE A 14 5.910 -3.434 -4.793 1.00 0.00 C ATOM 191 CG1 ILE A 14 6.851 -2.605 -3.916 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.381 -4.625 -3.990 1.00 0.00 C ATOM 193 CD1 ILE A 14 6.031 -1.773 -2.926 1.00 0.00 C ATOM 0 H ILE A 14 8.295 -4.335 -4.684 1.00 0.00 H new ATOM 0 HA ILE A 14 6.046 -4.630 -6.586 1.00 0.00 H new ATOM 0 HB ILE A 14 5.073 -2.814 -5.116 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.534 -3.261 -3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.462 -1.951 -4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.839 -4.263 -3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.710 -5.216 -4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.217 -5.246 -3.667 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.703 -1.183 -2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.366 -1.106 -3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.440 -2.437 -2.295 1.00 0.00 H new ATOM 205 N GLY A 15 8.303 -2.430 -7.002 1.00 0.00 N ATOM 206 CA GLY A 15 8.714 -1.272 -7.849 1.00 0.00 C ATOM 207 C GLY A 15 7.838 -0.060 -7.518 1.00 0.00 C ATOM 208 O GLY A 15 7.065 -0.080 -6.580 1.00 0.00 O ATOM 0 H GLY A 15 9.066 -2.922 -6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.763 -1.034 -7.674 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.617 -1.527 -8.904 1.00 0.00 H new ATOM 212 N GLU A 16 7.953 0.998 -8.282 1.00 0.00 N ATOM 213 CA GLU A 16 7.129 2.217 -8.015 1.00 0.00 C ATOM 214 C GLU A 16 6.072 2.369 -9.112 1.00 0.00 C ATOM 215 O GLU A 16 6.351 2.839 -10.197 1.00 0.00 O ATOM 216 CB GLU A 16 8.039 3.453 -8.001 1.00 0.00 C ATOM 217 CG GLU A 16 7.201 4.735 -7.866 1.00 0.00 C ATOM 218 CD GLU A 16 6.157 4.564 -6.758 1.00 0.00 C ATOM 219 OE1 GLU A 16 6.555 4.371 -5.621 1.00 0.00 O ATOM 220 OE2 GLU A 16 4.979 4.631 -7.067 1.00 0.00 O ATOM 0 H GLU A 16 8.583 1.070 -9.081 1.00 0.00 H new ATOM 0 HA GLU A 16 6.634 2.120 -7.049 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.745 3.383 -7.173 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.627 3.490 -8.918 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.850 5.581 -7.639 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.707 4.958 -8.812 1.00 0.00 H new ATOM 227 N VAL A 17 4.857 1.979 -8.835 1.00 0.00 N ATOM 228 CA VAL A 17 3.779 2.104 -9.856 1.00 0.00 C ATOM 229 C VAL A 17 3.562 3.583 -10.176 1.00 0.00 C ATOM 230 O VAL A 17 4.329 4.433 -9.767 1.00 0.00 O ATOM 231 CB VAL A 17 2.482 1.504 -9.310 1.00 0.00 C ATOM 232 CG1 VAL A 17 2.682 0.011 -9.045 1.00 0.00 C ATOM 233 CG2 VAL A 17 2.106 2.207 -8.005 1.00 0.00 C ATOM 0 H VAL A 17 4.565 1.579 -7.944 1.00 0.00 H new ATOM 0 HA VAL A 17 4.068 1.570 -10.761 1.00 0.00 H new ATOM 0 HB VAL A 17 1.684 1.639 -10.040 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.758 -0.416 -8.656 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.951 -0.491 -9.975 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.480 -0.125 -8.315 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.182 1.780 -7.615 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.904 2.071 -7.276 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.963 3.271 -8.193 1.00 0.00 H new ATOM 243 N THR A 18 2.528 3.906 -10.903 1.00 0.00 N ATOM 244 CA THR A 18 2.283 5.336 -11.234 1.00 0.00 C ATOM 245 C THR A 18 2.001 6.096 -9.941 1.00 0.00 C ATOM 246 O THR A 18 1.196 5.686 -9.130 1.00 0.00 O ATOM 247 CB THR A 18 1.075 5.441 -12.182 1.00 0.00 C ATOM 248 OG1 THR A 18 0.485 4.158 -12.334 1.00 0.00 O ATOM 249 CG2 THR A 18 1.529 5.956 -13.551 1.00 0.00 C ATOM 0 H THR A 18 1.847 3.246 -11.279 1.00 0.00 H new ATOM 0 HA THR A 18 3.156 5.764 -11.726 1.00 0.00 H new ATOM 0 HB THR A 18 0.347 6.135 -11.761 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.286 4.222 -12.936 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.669 6.028 -14.216 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.983 6.941 -13.437 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.259 5.267 -13.975 1.00 0.00 H new ATOM 257 N LYS A 19 2.651 7.205 -9.745 1.00 0.00 N ATOM 258 CA LYS A 19 2.409 7.992 -8.507 1.00 0.00 C ATOM 259 C LYS A 19 0.924 8.321 -8.477 1.00 0.00 C ATOM 260 O LYS A 19 0.218 7.989 -7.548 1.00 0.00 O ATOM 261 CB LYS A 19 3.250 9.280 -8.527 1.00 0.00 C ATOM 262 CG LYS A 19 4.211 9.258 -9.727 1.00 0.00 C ATOM 263 CD LYS A 19 5.487 10.043 -9.397 1.00 0.00 C ATOM 264 CE LYS A 19 6.524 9.095 -8.783 1.00 0.00 C ATOM 265 NZ LYS A 19 7.589 9.892 -8.112 1.00 0.00 N ATOM 0 H LYS A 19 3.338 7.601 -10.386 1.00 0.00 H new ATOM 0 HA LYS A 19 2.696 7.428 -7.619 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.597 10.150 -8.589 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.815 9.371 -7.599 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.464 8.229 -9.981 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.724 9.692 -10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.888 10.503 -10.300 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.260 10.851 -8.702 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.045 8.431 -8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.960 8.465 -9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.293 9.250 -7.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.053 10.508 -8.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.166 10.475 -7.362 1.00 0.00 H new ATOM 279 N GLU A 20 0.444 8.938 -9.519 1.00 0.00 N ATOM 280 CA GLU A 20 -0.998 9.251 -9.598 1.00 0.00 C ATOM 281 C GLU A 20 -1.767 8.006 -9.172 1.00 0.00 C ATOM 282 O GLU A 20 -2.806 8.084 -8.559 1.00 0.00 O ATOM 283 CB GLU A 20 -1.354 9.628 -11.033 1.00 0.00 C ATOM 284 CG GLU A 20 -2.870 9.563 -11.240 1.00 0.00 C ATOM 285 CD GLU A 20 -3.190 9.725 -12.726 1.00 0.00 C ATOM 286 OE1 GLU A 20 -2.289 10.073 -13.472 1.00 0.00 O ATOM 287 OE2 GLU A 20 -4.330 9.496 -13.096 1.00 0.00 O ATOM 0 H GLU A 20 0.997 9.239 -10.322 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.253 10.088 -8.948 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.993 10.633 -11.252 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.856 8.952 -11.728 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.257 8.611 -10.876 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.360 10.348 -10.664 1.00 0.00 H new ATOM 294 N ASP A 21 -1.247 6.850 -9.474 1.00 0.00 N ATOM 295 CA ASP A 21 -1.948 5.605 -9.058 1.00 0.00 C ATOM 296 C ASP A 21 -2.188 5.688 -7.554 1.00 0.00 C ATOM 297 O ASP A 21 -3.234 5.326 -7.056 1.00 0.00 O ATOM 298 CB ASP A 21 -1.087 4.378 -9.392 1.00 0.00 C ATOM 299 CG ASP A 21 -1.987 3.159 -9.598 1.00 0.00 C ATOM 300 OD1 ASP A 21 -2.699 2.808 -8.672 1.00 0.00 O ATOM 301 OD2 ASP A 21 -1.950 2.596 -10.681 1.00 0.00 O ATOM 0 H ASP A 21 -0.375 6.714 -9.986 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.895 5.505 -9.588 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.502 4.566 -10.292 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.379 4.188 -8.585 1.00 0.00 H new ATOM 306 N LEU A 22 -1.230 6.200 -6.831 1.00 0.00 N ATOM 307 CA LEU A 22 -1.400 6.345 -5.361 1.00 0.00 C ATOM 308 C LEU A 22 -2.341 7.513 -5.108 1.00 0.00 C ATOM 309 O LEU A 22 -2.961 7.623 -4.068 1.00 0.00 O ATOM 310 CB LEU A 22 -0.045 6.625 -4.706 1.00 0.00 C ATOM 311 CG LEU A 22 0.763 5.330 -4.615 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.919 4.723 -6.012 1.00 0.00 C ATOM 313 CD2 LEU A 22 2.147 5.636 -4.034 1.00 0.00 C ATOM 0 H LEU A 22 -0.335 6.524 -7.198 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.809 5.428 -4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.504 7.367 -5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.191 7.044 -3.710 1.00 0.00 H new ATOM 0 HG LEU A 22 0.244 4.622 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.495 3.800 -5.945 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.066 4.507 -6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.439 5.429 -6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.726 4.715 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.665 6.344 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.037 6.067 -3.039 1.00 0.00 H new ATOM 325 N LEU A 23 -2.449 8.381 -6.066 1.00 0.00 N ATOM 326 CA LEU A 23 -3.342 9.554 -5.926 1.00 0.00 C ATOM 327 C LEU A 23 -4.782 9.113 -6.194 1.00 0.00 C ATOM 328 O LEU A 23 -5.645 9.278 -5.354 1.00 0.00 O ATOM 329 CB LEU A 23 -2.889 10.617 -6.931 1.00 0.00 C ATOM 330 CG LEU A 23 -1.390 10.904 -6.722 1.00 0.00 C ATOM 331 CD1 LEU A 23 -0.978 12.131 -7.551 1.00 0.00 C ATOM 332 CD2 LEU A 23 -1.111 11.184 -5.239 1.00 0.00 C ATOM 0 H LEU A 23 -1.949 8.326 -6.953 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.296 9.973 -4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.067 10.271 -7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.469 11.531 -6.799 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.817 10.034 -7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.083 12.332 -7.401 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.165 11.936 -8.607 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.559 12.997 -7.233 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.049 11.386 -5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.690 12.050 -4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.396 10.316 -4.645 1.00 0.00 H new ATOM 344 N LEU A 24 -5.062 8.524 -7.329 1.00 0.00 N ATOM 345 CA LEU A 24 -6.454 8.067 -7.561 1.00 0.00 C ATOM 346 C LEU A 24 -6.799 7.076 -6.468 1.00 0.00 C ATOM 347 O LEU A 24 -7.854 7.138 -5.893 1.00 0.00 O ATOM 348 CB LEU A 24 -6.620 7.408 -8.935 1.00 0.00 C ATOM 349 CG LEU A 24 -5.776 6.129 -9.050 1.00 0.00 C ATOM 350 CD1 LEU A 24 -6.635 4.899 -8.728 1.00 0.00 C ATOM 351 CD2 LEU A 24 -5.258 5.997 -10.485 1.00 0.00 C ATOM 0 H LEU A 24 -4.401 8.345 -8.085 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.122 8.928 -7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.670 7.169 -9.101 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.326 8.111 -9.715 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.945 6.189 -8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.027 3.998 -8.813 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.022 4.981 -7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.467 4.842 -9.430 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.658 5.091 -10.573 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.102 5.942 -11.173 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.645 6.864 -10.732 1.00 0.00 H new ATOM 363 N LYS A 25 -5.906 6.173 -6.145 1.00 0.00 N ATOM 364 CA LYS A 25 -6.212 5.211 -5.054 1.00 0.00 C ATOM 365 C LYS A 25 -6.745 6.023 -3.873 1.00 0.00 C ATOM 366 O LYS A 25 -7.750 5.696 -3.272 1.00 0.00 O ATOM 367 CB LYS A 25 -4.936 4.458 -4.657 1.00 0.00 C ATOM 368 CG LYS A 25 -4.679 3.322 -5.657 1.00 0.00 C ATOM 369 CD LYS A 25 -3.241 2.809 -5.511 1.00 0.00 C ATOM 370 CE LYS A 25 -3.091 1.470 -6.243 1.00 0.00 C ATOM 371 NZ LYS A 25 -1.687 1.322 -6.721 1.00 0.00 N ATOM 0 H LYS A 25 -4.992 6.065 -6.585 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.950 4.475 -5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.087 5.142 -4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.038 4.054 -3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.383 2.508 -5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.846 3.677 -6.674 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.542 3.538 -5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.994 2.687 -4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.348 0.647 -5.576 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.781 1.424 -7.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.466 0.313 -6.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.577 1.811 -7.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.037 1.738 -6.024 1.00 0.00 H new ATOM 385 N SER A 26 -6.083 7.104 -3.567 1.00 0.00 N ATOM 386 CA SER A 26 -6.528 7.992 -2.464 1.00 0.00 C ATOM 387 C SER A 26 -7.825 8.699 -2.886 1.00 0.00 C ATOM 388 O SER A 26 -8.249 9.654 -2.267 1.00 0.00 O ATOM 389 CB SER A 26 -5.441 9.047 -2.209 1.00 0.00 C ATOM 390 OG SER A 26 -5.540 9.513 -0.870 1.00 0.00 O ATOM 0 H SER A 26 -5.237 7.412 -4.046 1.00 0.00 H new ATOM 0 HA SER A 26 -6.701 7.409 -1.559 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.454 8.618 -2.384 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.555 9.878 -2.904 1.00 0.00 H new ATOM 0 HG SER A 26 -6.464 9.782 -0.685 1.00 0.00 H new ATOM 396 N LYS A 27 -8.436 8.264 -3.962 1.00 0.00 N ATOM 397 CA LYS A 27 -9.674 8.949 -4.439 1.00 0.00 C ATOM 398 C LYS A 27 -10.642 9.171 -3.274 1.00 0.00 C ATOM 399 O LYS A 27 -11.119 10.270 -3.073 1.00 0.00 O ATOM 400 CB LYS A 27 -10.363 8.136 -5.549 1.00 0.00 C ATOM 401 CG LYS A 27 -10.250 6.626 -5.284 1.00 0.00 C ATOM 402 CD LYS A 27 -11.558 5.934 -5.677 1.00 0.00 C ATOM 403 CE LYS A 27 -11.757 6.065 -7.189 1.00 0.00 C ATOM 404 NZ LYS A 27 -13.016 5.372 -7.587 1.00 0.00 N ATOM 0 H LYS A 27 -8.132 7.470 -4.526 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.386 9.916 -4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.414 8.419 -5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.911 8.374 -6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.421 6.208 -5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.035 6.447 -4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.528 4.883 -5.391 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.397 6.385 -5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.804 7.117 -7.471 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.908 5.631 -7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.151 5.461 -8.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.954 4.366 -7.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.822 5.805 -7.093 1.00 0.00 H new ATOM 418 N GLY A 28 -10.934 8.164 -2.487 1.00 0.00 N ATOM 419 CA GLY A 28 -11.860 8.388 -1.343 1.00 0.00 C ATOM 420 C GLY A 28 -12.778 7.191 -1.144 1.00 0.00 C ATOM 421 O GLY A 28 -13.712 7.251 -0.376 1.00 0.00 O ATOM 0 H GLY A 28 -10.576 7.214 -2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.285 8.565 -0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.456 9.283 -1.523 1.00 0.00 H new ATOM 425 N THR A 29 -12.546 6.107 -1.826 1.00 0.00 N ATOM 426 CA THR A 29 -13.445 4.941 -1.637 1.00 0.00 C ATOM 427 C THR A 29 -12.770 3.642 -2.111 1.00 0.00 C ATOM 428 O THR A 29 -11.989 3.635 -3.042 1.00 0.00 O ATOM 429 CB THR A 29 -14.723 5.182 -2.441 1.00 0.00 C ATOM 430 OG1 THR A 29 -14.540 6.312 -3.283 1.00 0.00 O ATOM 431 CG2 THR A 29 -15.907 5.435 -1.502 1.00 0.00 C ATOM 0 H THR A 29 -11.786 5.979 -2.495 1.00 0.00 H new ATOM 0 HA THR A 29 -13.675 4.832 -0.577 1.00 0.00 H new ATOM 0 HB THR A 29 -14.934 4.298 -3.043 1.00 0.00 H new ATOM 0 HG1 THR A 29 -15.357 6.469 -3.802 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.809 5.605 -2.091 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.052 4.568 -0.858 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.704 6.313 -0.889 1.00 0.00 H new ATOM 439 N CYS A 30 -13.109 2.538 -1.494 1.00 0.00 N ATOM 440 CA CYS A 30 -12.542 1.220 -1.917 1.00 0.00 C ATOM 441 C CYS A 30 -13.060 0.919 -3.325 1.00 0.00 C ATOM 442 O CYS A 30 -14.206 1.178 -3.633 1.00 0.00 O ATOM 443 CB CYS A 30 -13.018 0.122 -0.952 1.00 0.00 C ATOM 444 SG CYS A 30 -12.454 -1.502 -1.532 1.00 0.00 S ATOM 0 H CYS A 30 -13.759 2.493 -0.709 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.453 1.252 -1.907 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.632 0.314 0.049 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.106 0.135 -0.882 1.00 0.00 H new ATOM 449 N GLN A 31 -12.241 0.393 -4.193 1.00 0.00 N ATOM 450 CA GLN A 31 -12.731 0.113 -5.573 1.00 0.00 C ATOM 451 C GLN A 31 -13.571 -1.164 -5.584 1.00 0.00 C ATOM 452 O GLN A 31 -14.231 -1.469 -6.558 1.00 0.00 O ATOM 453 CB GLN A 31 -11.551 -0.033 -6.537 1.00 0.00 C ATOM 454 CG GLN A 31 -10.613 -1.157 -6.079 1.00 0.00 C ATOM 455 CD GLN A 31 -11.183 -2.523 -6.474 1.00 0.00 C ATOM 456 OE1 GLN A 31 -10.697 -3.543 -6.028 1.00 0.00 O ATOM 457 NE2 GLN A 31 -12.194 -2.593 -7.298 1.00 0.00 N ATOM 0 H GLN A 31 -11.268 0.148 -4.012 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.350 0.949 -5.898 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.919 -0.246 -7.541 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.001 0.907 -6.592 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.629 -1.023 -6.528 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.480 -1.110 -4.998 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.605 -1.739 -7.675 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.573 -3.502 -7.565 1.00 0.00 H new ATOM 466 N SER A 32 -13.563 -1.908 -4.512 1.00 0.00 N ATOM 467 CA SER A 32 -14.372 -3.161 -4.464 1.00 0.00 C ATOM 468 C SER A 32 -15.492 -3.004 -3.433 1.00 0.00 C ATOM 469 O SER A 32 -16.438 -3.765 -3.414 1.00 0.00 O ATOM 470 CB SER A 32 -13.476 -4.335 -4.068 1.00 0.00 C ATOM 471 OG SER A 32 -12.556 -4.596 -5.119 1.00 0.00 O ATOM 0 H SER A 32 -13.031 -1.703 -3.666 1.00 0.00 H new ATOM 0 HA SER A 32 -14.804 -3.351 -5.446 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.939 -4.104 -3.148 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.081 -5.220 -3.871 1.00 0.00 H new ATOM 0 HG SER A 32 -11.671 -4.257 -4.871 1.00 0.00 H new ATOM 477 N CYS A 33 -15.392 -2.019 -2.577 1.00 0.00 N ATOM 478 CA CYS A 33 -16.452 -1.808 -1.546 1.00 0.00 C ATOM 479 C CYS A 33 -16.959 -0.368 -1.611 1.00 0.00 C ATOM 480 O CYS A 33 -18.062 -0.074 -1.193 1.00 0.00 O ATOM 481 CB CYS A 33 -15.877 -2.075 -0.152 1.00 0.00 C ATOM 482 SG CYS A 33 -15.092 -3.700 -0.128 1.00 0.00 S ATOM 0 H CYS A 33 -14.621 -1.351 -2.548 1.00 0.00 H new ATOM 0 HA CYS A 33 -17.276 -2.494 -1.740 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -15.151 -1.304 0.108 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.670 -2.031 0.595 1.00 0.00 H new ATOM 487 N GLY A 34 -16.169 0.543 -2.114 1.00 0.00 N ATOM 488 CA GLY A 34 -16.631 1.957 -2.175 1.00 0.00 C ATOM 489 C GLY A 34 -17.116 2.361 -0.784 1.00 0.00 C ATOM 490 O GLY A 34 -18.293 2.549 -0.554 1.00 0.00 O ATOM 0 H GLY A 34 -15.233 0.370 -2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.819 2.608 -2.499 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.435 2.063 -2.904 1.00 0.00 H new ATOM 494 N VAL A 35 -16.210 2.457 0.153 1.00 0.00 N ATOM 495 CA VAL A 35 -16.604 2.804 1.551 1.00 0.00 C ATOM 496 C VAL A 35 -16.170 4.227 1.932 1.00 0.00 C ATOM 497 O VAL A 35 -16.923 4.940 2.561 1.00 0.00 O ATOM 498 CB VAL A 35 -15.967 1.782 2.502 1.00 0.00 C ATOM 499 CG1 VAL A 35 -16.704 0.439 2.362 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.491 1.595 2.139 1.00 0.00 C ATOM 0 H VAL A 35 -15.211 2.310 0.010 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.691 2.772 1.628 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.042 2.139 3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.257 -0.293 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.755 0.572 2.617 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.622 0.085 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.039 0.869 2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.411 1.235 1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.970 2.548 2.230 1.00 0.00 H new ATOM 510 N THR A 36 -14.985 4.662 1.572 1.00 0.00 N ATOM 511 CA THR A 36 -14.567 6.047 1.952 1.00 0.00 C ATOM 512 C THR A 36 -13.060 6.209 1.759 1.00 0.00 C ATOM 513 O THR A 36 -12.384 5.315 1.299 1.00 0.00 O ATOM 514 CB THR A 36 -14.912 6.322 3.425 1.00 0.00 C ATOM 515 OG1 THR A 36 -14.076 7.360 3.915 1.00 0.00 O ATOM 516 CG2 THR A 36 -14.691 5.056 4.264 1.00 0.00 C ATOM 0 H THR A 36 -14.299 4.126 1.040 1.00 0.00 H new ATOM 0 HA THR A 36 -15.099 6.754 1.315 1.00 0.00 H new ATOM 0 HB THR A 36 -15.958 6.620 3.497 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.294 7.540 4.853 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.938 5.262 5.305 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.330 4.256 3.891 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.647 4.750 4.193 1.00 0.00 H new ATOM 524 N GLY A 37 -12.538 7.358 2.105 1.00 0.00 N ATOM 525 CA GLY A 37 -11.077 7.610 1.941 1.00 0.00 C ATOM 526 C GLY A 37 -10.330 7.302 3.236 1.00 0.00 C ATOM 527 O GLY A 37 -9.532 6.390 3.298 1.00 0.00 O ATOM 0 H GLY A 37 -13.067 8.137 2.497 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.685 6.993 1.133 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.911 8.649 1.658 1.00 0.00 H new ATOM 531 N PRO A 38 -10.564 8.067 4.263 1.00 0.00 N ATOM 532 CA PRO A 38 -9.880 7.862 5.555 1.00 0.00 C ATOM 533 C PRO A 38 -9.836 6.389 5.948 1.00 0.00 C ATOM 534 O PRO A 38 -10.834 5.696 5.949 1.00 0.00 O ATOM 535 CB PRO A 38 -10.691 8.672 6.571 1.00 0.00 C ATOM 536 CG PRO A 38 -11.801 9.343 5.808 1.00 0.00 C ATOM 537 CD PRO A 38 -11.489 9.200 4.314 1.00 0.00 C ATOM 0 HA PRO A 38 -8.840 8.184 5.506 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.094 8.023 7.349 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.061 9.411 7.067 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.761 8.883 6.044 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.875 10.395 6.085 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.391 9.008 3.733 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.036 10.106 3.910 1.00 0.00 H new ATOM 545 N ASN A 39 -8.678 5.920 6.278 1.00 0.00 N ATOM 546 CA ASN A 39 -8.516 4.497 6.679 1.00 0.00 C ATOM 547 C ASN A 39 -8.584 3.595 5.445 1.00 0.00 C ATOM 548 O ASN A 39 -8.951 2.441 5.536 1.00 0.00 O ATOM 549 CB ASN A 39 -9.619 4.104 7.672 1.00 0.00 C ATOM 550 CG ASN A 39 -9.013 3.308 8.832 1.00 0.00 C ATOM 551 OD1 ASN A 39 -9.207 2.114 8.931 1.00 0.00 O ATOM 552 ND2 ASN A 39 -8.283 3.927 9.720 1.00 0.00 N ATOM 0 H ASN A 39 -7.817 6.468 6.289 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.545 4.373 7.157 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.114 4.998 8.052 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.379 3.508 7.168 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.876 3.407 10.497 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.120 4.930 9.636 1.00 0.00 H new ATOM 559 N LEU A 40 -8.223 4.094 4.293 1.00 0.00 N ATOM 560 CA LEU A 40 -8.264 3.231 3.079 1.00 0.00 C ATOM 561 C LEU A 40 -6.972 2.415 3.021 1.00 0.00 C ATOM 562 O LEU A 40 -6.081 2.581 3.829 1.00 0.00 O ATOM 563 CB LEU A 40 -8.362 4.090 1.804 1.00 0.00 C ATOM 564 CG LEU A 40 -9.821 4.301 1.362 1.00 0.00 C ATOM 565 CD1 LEU A 40 -9.815 4.935 -0.033 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.571 2.962 1.290 1.00 0.00 C ATOM 0 H LEU A 40 -7.905 5.051 4.141 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.137 2.580 3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.894 5.058 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.805 3.610 0.999 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.322 4.944 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.841 5.093 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.294 5.892 0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.305 4.272 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.600 3.138 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.078 2.307 0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.568 2.490 2.272 1.00 0.00 H new ATOM 578 N TRP A 41 -6.863 1.543 2.063 1.00 0.00 N ATOM 579 CA TRP A 41 -5.627 0.723 1.934 1.00 0.00 C ATOM 580 C TRP A 41 -5.568 0.137 0.524 1.00 0.00 C ATOM 581 O TRP A 41 -6.142 -0.897 0.242 1.00 0.00 O ATOM 582 CB TRP A 41 -5.639 -0.401 2.980 1.00 0.00 C ATOM 583 CG TRP A 41 -4.408 -0.313 3.831 1.00 0.00 C ATOM 584 CD1 TRP A 41 -3.142 -0.247 3.360 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.306 -0.280 5.284 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.269 -0.175 4.431 1.00 0.00 N ATOM 587 CE2 TRP A 41 -2.939 -0.191 5.639 1.00 0.00 C ATOM 588 CE3 TRP A 41 -5.256 -0.316 6.320 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.530 -0.141 6.972 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.848 -0.267 7.663 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.488 -0.178 7.988 1.00 0.00 C ATOM 0 H TRP A 41 -7.579 1.361 1.360 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.748 1.344 2.104 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.530 -0.321 3.603 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.682 -1.371 2.485 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.859 -0.250 2.318 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.255 -0.117 4.340 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.307 -0.382 6.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.480 -0.074 7.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -5.587 -0.298 8.450 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.181 -0.138 9.023 1.00 0.00 H new ATOM 602 N ALA A 42 -4.896 0.803 -0.371 1.00 0.00 N ATOM 603 CA ALA A 42 -4.818 0.299 -1.765 1.00 0.00 C ATOM 604 C ALA A 42 -3.591 -0.589 -1.949 1.00 0.00 C ATOM 605 O ALA A 42 -2.521 -0.308 -1.446 1.00 0.00 O ATOM 606 CB ALA A 42 -4.720 1.488 -2.718 1.00 0.00 C ATOM 0 H ALA A 42 -4.397 1.675 -0.195 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.711 -0.288 -1.978 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.662 1.127 -3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.601 2.119 -2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.826 2.067 -2.486 1.00 0.00 H new ATOM 612 N CYS A 43 -3.739 -1.651 -2.690 1.00 0.00 N ATOM 613 CA CYS A 43 -2.587 -2.554 -2.941 1.00 0.00 C ATOM 614 C CYS A 43 -1.477 -1.743 -3.606 1.00 0.00 C ATOM 615 O CYS A 43 -1.740 -0.759 -4.269 1.00 0.00 O ATOM 616 CB CYS A 43 -3.025 -3.689 -3.865 1.00 0.00 C ATOM 617 SG CYS A 43 -1.939 -5.112 -3.621 1.00 0.00 S ATOM 0 H CYS A 43 -4.613 -1.932 -3.134 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.226 -2.980 -2.005 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.058 -3.966 -3.655 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.987 -3.362 -4.904 1.00 0.00 H new ATOM 622 N LEU A 44 -0.242 -2.122 -3.423 1.00 0.00 N ATOM 623 CA LEU A 44 0.863 -1.334 -4.039 1.00 0.00 C ATOM 624 C LEU A 44 1.889 -2.255 -4.707 1.00 0.00 C ATOM 625 O LEU A 44 3.077 -2.065 -4.558 1.00 0.00 O ATOM 626 CB LEU A 44 1.547 -0.509 -2.946 1.00 0.00 C ATOM 627 CG LEU A 44 2.385 0.608 -3.584 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.463 1.673 -4.196 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.268 1.253 -2.512 1.00 0.00 C ATOM 0 H LEU A 44 0.048 -2.935 -2.879 1.00 0.00 H new ATOM 0 HA LEU A 44 0.447 -0.679 -4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.799 -0.079 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.184 -1.151 -2.338 1.00 0.00 H new ATOM 0 HG LEU A 44 3.009 0.184 -4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.066 2.461 -4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.835 1.215 -4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.832 2.100 -3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.865 2.047 -2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.639 1.672 -1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.930 0.500 -2.084 1.00 0.00 H new ATOM 641 N GLN A 45 1.455 -3.240 -5.452 1.00 0.00 N ATOM 642 CA GLN A 45 2.442 -4.138 -6.126 1.00 0.00 C ATOM 643 C GLN A 45 2.722 -3.622 -7.541 1.00 0.00 C ATOM 644 O GLN A 45 1.858 -3.085 -8.205 1.00 0.00 O ATOM 645 CB GLN A 45 1.908 -5.573 -6.201 1.00 0.00 C ATOM 646 CG GLN A 45 0.907 -5.811 -5.077 1.00 0.00 C ATOM 647 CD GLN A 45 1.659 -5.958 -3.754 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.062 -7.043 -3.387 1.00 0.00 O ATOM 649 NE2 GLN A 45 1.866 -4.902 -3.016 1.00 0.00 N ATOM 0 H GLN A 45 0.474 -3.460 -5.622 1.00 0.00 H new ATOM 0 HA GLN A 45 3.363 -4.140 -5.544 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.432 -5.743 -7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 45 2.732 -6.282 -6.122 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.204 -4.980 -5.019 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.323 -6.709 -5.278 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.528 -3.990 -3.324 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.366 -4.988 -2.131 1.00 0.00 H new ATOM 658 N VAL A 46 3.934 -3.776 -7.993 1.00 0.00 N ATOM 659 CA VAL A 46 4.311 -3.297 -9.357 1.00 0.00 C ATOM 660 C VAL A 46 3.218 -3.621 -10.382 1.00 0.00 C ATOM 661 O VAL A 46 3.210 -3.078 -11.469 1.00 0.00 O ATOM 662 CB VAL A 46 5.607 -3.981 -9.797 1.00 0.00 C ATOM 663 CG1 VAL A 46 5.395 -5.495 -9.843 1.00 0.00 C ATOM 664 CG2 VAL A 46 5.999 -3.480 -11.190 1.00 0.00 C ATOM 0 H VAL A 46 4.691 -4.218 -7.471 1.00 0.00 H new ATOM 0 HA VAL A 46 4.442 -2.216 -9.309 1.00 0.00 H new ATOM 0 HB VAL A 46 6.401 -3.746 -9.088 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.318 -5.982 -10.156 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.114 -5.853 -8.853 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.602 -5.730 -10.553 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.922 -3.966 -11.505 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.205 -3.716 -11.898 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.149 -2.401 -11.160 1.00 0.00 H new ATOM 674 N ALA A 47 2.308 -4.511 -10.077 1.00 0.00 N ATOM 675 CA ALA A 47 1.256 -4.852 -11.084 1.00 0.00 C ATOM 676 C ALA A 47 -0.093 -5.122 -10.410 1.00 0.00 C ATOM 677 O ALA A 47 -0.775 -6.071 -10.742 1.00 0.00 O ATOM 678 CB ALA A 47 1.688 -6.099 -11.857 1.00 0.00 C ATOM 0 H ALA A 47 2.247 -5.010 -9.189 1.00 0.00 H new ATOM 0 HA ALA A 47 1.139 -4.004 -11.759 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.925 -6.353 -12.593 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.632 -5.903 -12.366 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.815 -6.931 -11.164 1.00 0.00 H new ATOM 684 N CYS A 48 -0.499 -4.296 -9.483 1.00 0.00 N ATOM 685 CA CYS A 48 -1.819 -4.520 -8.823 1.00 0.00 C ATOM 686 C CYS A 48 -2.498 -3.178 -8.542 1.00 0.00 C ATOM 687 O CYS A 48 -2.445 -2.669 -7.440 1.00 0.00 O ATOM 688 CB CYS A 48 -1.619 -5.263 -7.505 1.00 0.00 C ATOM 689 SG CYS A 48 -3.196 -5.986 -6.996 1.00 0.00 S ATOM 0 H CYS A 48 0.021 -3.482 -9.156 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.447 -5.113 -9.488 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.867 -6.043 -7.622 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.253 -4.580 -6.739 1.00 0.00 H new ATOM 694 N PRO A 49 -3.141 -2.612 -9.529 1.00 0.00 N ATOM 695 CA PRO A 49 -3.851 -1.317 -9.380 1.00 0.00 C ATOM 696 C PRO A 49 -5.287 -1.502 -8.875 1.00 0.00 C ATOM 697 O PRO A 49 -6.181 -1.832 -9.627 1.00 0.00 O ATOM 698 CB PRO A 49 -3.848 -0.768 -10.806 1.00 0.00 C ATOM 699 CG PRO A 49 -3.888 -1.979 -11.690 1.00 0.00 C ATOM 700 CD PRO A 49 -3.260 -3.137 -10.897 1.00 0.00 C ATOM 0 HA PRO A 49 -3.378 -0.660 -8.650 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.709 -0.123 -10.982 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.957 -0.170 -10.996 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.914 -2.217 -11.972 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.337 -1.801 -12.613 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.887 -4.028 -10.929 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.288 -3.417 -11.303 1.00 0.00 H new ATOM 708 N TYR A 50 -5.507 -1.278 -7.608 1.00 0.00 N ATOM 709 CA TYR A 50 -6.874 -1.424 -7.029 1.00 0.00 C ATOM 710 C TYR A 50 -6.845 -0.861 -5.609 1.00 0.00 C ATOM 711 O TYR A 50 -5.945 -1.151 -4.847 1.00 0.00 O ATOM 712 CB TYR A 50 -7.263 -2.907 -6.975 1.00 0.00 C ATOM 713 CG TYR A 50 -7.618 -3.399 -8.359 1.00 0.00 C ATOM 714 CD1 TYR A 50 -6.830 -4.377 -8.980 1.00 0.00 C ATOM 715 CD2 TYR A 50 -8.735 -2.878 -9.024 1.00 0.00 C ATOM 716 CE1 TYR A 50 -7.159 -4.833 -10.262 1.00 0.00 C ATOM 717 CE2 TYR A 50 -9.064 -3.334 -10.306 1.00 0.00 C ATOM 718 CZ TYR A 50 -8.276 -4.312 -10.925 1.00 0.00 C ATOM 719 OH TYR A 50 -8.599 -4.760 -12.189 1.00 0.00 O ATOM 0 H TYR A 50 -4.789 -0.996 -6.941 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.600 -0.891 -7.643 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.437 -3.494 -6.572 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.110 -3.045 -6.303 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.968 -4.780 -8.469 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -9.343 -2.124 -8.547 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.551 -5.587 -10.739 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -9.926 -2.931 -10.818 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.403 -4.297 -12.505 1.00 0.00 H new ATOM 729 N VAL A 51 -7.804 -0.054 -5.240 1.00 0.00 N ATOM 730 CA VAL A 51 -7.788 0.518 -3.862 1.00 0.00 C ATOM 731 C VAL A 51 -8.770 -0.238 -2.970 1.00 0.00 C ATOM 732 O VAL A 51 -9.971 -0.101 -3.081 1.00 0.00 O ATOM 733 CB VAL A 51 -8.135 2.009 -3.912 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.307 2.241 -4.869 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.500 2.514 -2.509 1.00 0.00 C ATOM 0 H VAL A 51 -8.589 0.231 -5.825 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.789 0.410 -3.440 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.266 2.560 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.548 3.304 -4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.033 1.903 -5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.176 1.682 -4.522 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.745 3.575 -2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.361 1.959 -2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.654 2.367 -1.838 1.00 0.00 H new ATOM 745 N GLY A 52 -8.254 -1.043 -2.082 1.00 0.00 N ATOM 746 CA GLY A 52 -9.132 -1.827 -1.174 1.00 0.00 C ATOM 747 C GLY A 52 -9.489 -0.997 0.059 1.00 0.00 C ATOM 748 O GLY A 52 -9.167 0.171 0.150 1.00 0.00 O ATOM 0 H GLY A 52 -7.254 -1.191 -1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.041 -2.121 -1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.628 -2.744 -0.871 1.00 0.00 H new ATOM 752 N CYS A 53 -10.157 -1.596 1.007 1.00 0.00 N ATOM 753 CA CYS A 53 -10.550 -0.859 2.239 1.00 0.00 C ATOM 754 C CYS A 53 -9.585 -1.164 3.361 1.00 0.00 C ATOM 755 O CYS A 53 -8.769 -2.063 3.299 1.00 0.00 O ATOM 756 CB CYS A 53 -11.915 -1.344 2.750 1.00 0.00 C ATOM 757 SG CYS A 53 -12.258 -2.996 2.096 1.00 0.00 S ATOM 0 H CYS A 53 -10.449 -2.573 0.979 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.565 0.200 1.980 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.920 -1.365 3.840 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.697 -0.650 2.441 1.00 0.00 H new ATOM 762 N GLY A 54 -9.771 -0.459 4.422 1.00 0.00 N ATOM 763 CA GLY A 54 -9.001 -0.696 5.654 1.00 0.00 C ATOM 764 C GLY A 54 -10.058 -1.118 6.657 1.00 0.00 C ATOM 765 O GLY A 54 -11.225 -0.876 6.429 1.00 0.00 O ATOM 0 H GLY A 54 -10.450 0.300 4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.248 -1.472 5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.476 0.203 5.978 1.00 0.00 H new ATOM 769 N GLU A 55 -9.708 -1.759 7.727 1.00 0.00 N ATOM 770 CA GLU A 55 -10.764 -2.193 8.699 1.00 0.00 C ATOM 771 C GLU A 55 -11.987 -1.300 8.566 1.00 0.00 C ATOM 772 O GLU A 55 -13.112 -1.752 8.653 1.00 0.00 O ATOM 773 CB GLU A 55 -10.232 -2.081 10.116 1.00 0.00 C ATOM 774 CG GLU A 55 -10.066 -0.605 10.495 1.00 0.00 C ATOM 775 CD GLU A 55 -9.180 -0.490 11.736 1.00 0.00 C ATOM 776 OE1 GLU A 55 -9.680 -0.732 12.821 1.00 0.00 O ATOM 777 OE2 GLU A 55 -8.015 -0.163 11.580 1.00 0.00 O ATOM 0 H GLU A 55 -8.750 -2.004 7.979 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.036 -3.226 8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.916 -2.569 10.810 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.275 -2.596 10.196 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.621 -0.054 9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.041 -0.157 10.689 1.00 0.00 H new ATOM 784 N SER A 56 -11.764 -0.040 8.329 1.00 0.00 N ATOM 785 CA SER A 56 -12.894 0.911 8.146 1.00 0.00 C ATOM 786 C SER A 56 -14.091 0.146 7.584 1.00 0.00 C ATOM 787 O SER A 56 -15.213 0.311 8.020 1.00 0.00 O ATOM 788 CB SER A 56 -12.467 1.999 7.160 1.00 0.00 C ATOM 789 OG SER A 56 -12.395 3.244 7.844 1.00 0.00 O ATOM 0 H SER A 56 -10.836 0.377 8.253 1.00 0.00 H new ATOM 0 HA SER A 56 -13.167 1.369 9.097 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.499 1.753 6.724 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.180 2.062 6.338 1.00 0.00 H new ATOM 0 HG SER A 56 -12.438 3.977 7.195 1.00 0.00 H new ATOM 795 N PHE A 57 -13.844 -0.715 6.628 1.00 0.00 N ATOM 796 CA PHE A 57 -14.955 -1.525 6.043 1.00 0.00 C ATOM 797 C PHE A 57 -14.695 -3.003 6.301 1.00 0.00 C ATOM 798 O PHE A 57 -15.052 -3.546 7.327 1.00 0.00 O ATOM 799 CB PHE A 57 -15.038 -1.307 4.536 1.00 0.00 C ATOM 800 CG PHE A 57 -16.133 -2.187 3.970 1.00 0.00 C ATOM 801 CD1 PHE A 57 -17.460 -2.005 4.380 1.00 0.00 C ATOM 802 CD2 PHE A 57 -15.822 -3.188 3.041 1.00 0.00 C ATOM 803 CE1 PHE A 57 -18.473 -2.821 3.862 1.00 0.00 C ATOM 804 CE2 PHE A 57 -16.836 -4.004 2.523 1.00 0.00 C ATOM 805 CZ PHE A 57 -18.161 -3.820 2.934 1.00 0.00 C ATOM 0 H PHE A 57 -12.922 -0.891 6.228 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.891 -1.214 6.508 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.246 -0.260 4.318 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.083 -1.546 4.068 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -17.702 -1.234 5.097 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.800 -3.331 2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -19.496 -2.679 4.179 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.595 -4.775 1.806 1.00 0.00 H new ATOM 0 HZ PHE A 57 -18.943 -4.449 2.535 1.00 0.00 H new ATOM 815 N ALA A 58 -14.065 -3.648 5.364 1.00 0.00 N ATOM 816 CA ALA A 58 -13.751 -5.099 5.511 1.00 0.00 C ATOM 817 C ALA A 58 -12.239 -5.275 5.420 1.00 0.00 C ATOM 818 O ALA A 58 -11.720 -6.373 5.488 1.00 0.00 O ATOM 819 CB ALA A 58 -14.429 -5.886 4.386 1.00 0.00 C ATOM 0 H ALA A 58 -13.749 -3.229 4.490 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.114 -5.468 6.470 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -14.199 -6.946 4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.508 -5.741 4.440 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.063 -5.532 3.422 1.00 0.00 H new ATOM 825 N ASP A 59 -11.533 -4.191 5.269 1.00 0.00 N ATOM 826 CA ASP A 59 -10.052 -4.259 5.174 1.00 0.00 C ATOM 827 C ASP A 59 -9.638 -5.222 4.059 1.00 0.00 C ATOM 828 O ASP A 59 -9.001 -6.226 4.311 1.00 0.00 O ATOM 829 CB ASP A 59 -9.471 -4.736 6.511 1.00 0.00 C ATOM 830 CG ASP A 59 -7.976 -5.023 6.362 1.00 0.00 C ATOM 831 OD1 ASP A 59 -7.628 -6.176 6.168 1.00 0.00 O ATOM 832 OD2 ASP A 59 -7.204 -4.083 6.453 1.00 0.00 O ATOM 0 H ASP A 59 -11.924 -3.251 5.207 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.666 -3.266 4.944 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.629 -3.976 7.277 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.991 -5.635 6.842 1.00 0.00 H new ATOM 837 N HIS A 60 -9.962 -4.924 2.824 1.00 0.00 N ATOM 838 CA HIS A 60 -9.530 -5.838 1.727 1.00 0.00 C ATOM 839 C HIS A 60 -8.044 -6.103 1.943 1.00 0.00 C ATOM 840 O HIS A 60 -7.510 -7.113 1.558 1.00 0.00 O ATOM 841 CB HIS A 60 -9.733 -5.168 0.357 1.00 0.00 C ATOM 842 CG HIS A 60 -10.911 -5.777 -0.360 1.00 0.00 C ATOM 843 ND1 HIS A 60 -12.060 -5.050 -0.679 1.00 0.00 N ATOM 844 CD2 HIS A 60 -11.128 -7.047 -0.834 1.00 0.00 C ATOM 845 CE1 HIS A 60 -12.898 -5.893 -1.312 1.00 0.00 C ATOM 846 NE2 HIS A 60 -12.378 -7.114 -1.431 1.00 0.00 N ATOM 0 H HIS A 60 -10.496 -4.105 2.534 1.00 0.00 H new ATOM 0 HA HIS A 60 -10.113 -6.759 1.741 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.894 -4.098 0.489 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.833 -5.283 -0.247 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.432 -7.869 -0.754 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -13.874 -5.613 -1.679 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.809 -7.928 -1.869 1.00 0.00 H new ATOM 854 N SER A 61 -7.387 -5.180 2.582 1.00 0.00 N ATOM 855 CA SER A 61 -5.934 -5.336 2.863 1.00 0.00 C ATOM 856 C SER A 61 -5.645 -6.755 3.355 1.00 0.00 C ATOM 857 O SER A 61 -4.574 -7.290 3.142 1.00 0.00 O ATOM 858 CB SER A 61 -5.539 -4.330 3.945 1.00 0.00 C ATOM 859 OG SER A 61 -4.183 -3.945 3.761 1.00 0.00 O ATOM 0 H SER A 61 -7.799 -4.313 2.926 1.00 0.00 H new ATOM 0 HA SER A 61 -5.361 -5.157 1.953 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.187 -3.455 3.897 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.672 -4.771 4.933 1.00 0.00 H new ATOM 0 HG SER A 61 -4.118 -2.967 3.761 1.00 0.00 H new ATOM 865 N THR A 62 -6.581 -7.368 4.024 1.00 0.00 N ATOM 866 CA THR A 62 -6.343 -8.740 4.539 1.00 0.00 C ATOM 867 C THR A 62 -6.752 -9.780 3.503 1.00 0.00 C ATOM 868 O THR A 62 -5.932 -10.520 2.996 1.00 0.00 O ATOM 869 CB THR A 62 -7.175 -8.970 5.794 1.00 0.00 C ATOM 870 OG1 THR A 62 -8.439 -8.338 5.643 1.00 0.00 O ATOM 871 CG2 THR A 62 -6.460 -8.400 7.026 1.00 0.00 C ATOM 0 H THR A 62 -7.499 -6.977 4.235 1.00 0.00 H new ATOM 0 HA THR A 62 -5.280 -8.839 4.760 1.00 0.00 H new ATOM 0 HB THR A 62 -7.311 -10.042 5.935 1.00 0.00 H new ATOM 0 HG1 THR A 62 -8.325 -7.365 5.680 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.069 -8.574 7.913 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.495 -8.892 7.147 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.307 -7.329 6.895 1.00 0.00 H new ATOM 879 N ILE A 63 -8.021 -9.866 3.203 1.00 0.00 N ATOM 880 CA ILE A 63 -8.463 -10.889 2.227 1.00 0.00 C ATOM 881 C ILE A 63 -7.738 -10.664 0.902 1.00 0.00 C ATOM 882 O ILE A 63 -7.443 -11.590 0.174 1.00 0.00 O ATOM 883 CB ILE A 63 -9.969 -10.811 2.004 1.00 0.00 C ATOM 884 CG1 ILE A 63 -10.364 -9.359 1.791 1.00 0.00 C ATOM 885 CG2 ILE A 63 -10.702 -11.373 3.223 1.00 0.00 C ATOM 886 CD1 ILE A 63 -11.761 -9.291 1.171 1.00 0.00 C ATOM 0 H ILE A 63 -8.759 -9.277 3.589 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.224 -11.877 2.622 1.00 0.00 H new ATOM 0 HB ILE A 63 -10.241 -11.398 1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -10.351 -8.825 2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.642 -8.867 1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -11.778 -11.315 3.059 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.413 -12.413 3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.438 -10.792 4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -12.041 -8.249 1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -11.759 -9.809 0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -12.479 -9.767 1.839 1.00 0.00 H new ATOM 898 N HIS A 64 -7.448 -9.436 0.593 1.00 0.00 N ATOM 899 CA HIS A 64 -6.735 -9.130 -0.679 1.00 0.00 C ATOM 900 C HIS A 64 -5.280 -9.585 -0.565 1.00 0.00 C ATOM 901 O HIS A 64 -4.728 -10.156 -1.485 1.00 0.00 O ATOM 902 CB HIS A 64 -6.767 -7.626 -0.959 1.00 0.00 C ATOM 903 CG HIS A 64 -6.092 -7.370 -2.273 1.00 0.00 C ATOM 904 ND1 HIS A 64 -6.793 -7.016 -3.415 1.00 0.00 N ATOM 905 CD2 HIS A 64 -4.776 -7.449 -2.648 1.00 0.00 C ATOM 906 CE1 HIS A 64 -5.901 -6.899 -4.416 1.00 0.00 C ATOM 907 NE2 HIS A 64 -4.659 -7.154 -4.000 1.00 0.00 N ATOM 0 H HIS A 64 -7.674 -8.624 1.168 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.230 -9.656 -1.495 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.796 -7.268 -0.986 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.261 -7.082 -0.161 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -7.800 -6.871 -3.484 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.956 -7.702 -1.993 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.159 -6.632 -5.430 1.00 0.00 H new ATOM 915 N ALA A 65 -4.656 -9.362 0.562 1.00 0.00 N ATOM 916 CA ALA A 65 -3.245 -9.817 0.721 1.00 0.00 C ATOM 917 C ALA A 65 -3.295 -11.316 0.968 1.00 0.00 C ATOM 918 O ALA A 65 -2.333 -12.036 0.816 1.00 0.00 O ATOM 919 CB ALA A 65 -2.602 -9.113 1.918 1.00 0.00 C ATOM 0 H ALA A 65 -5.058 -8.889 1.371 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.654 -9.583 -0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.571 -9.450 2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.616 -8.035 1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.160 -9.351 2.823 1.00 0.00 H new ATOM 925 N GLN A 66 -4.440 -11.758 1.372 1.00 0.00 N ATOM 926 CA GLN A 66 -4.682 -13.186 1.679 1.00 0.00 C ATOM 927 C GLN A 66 -4.998 -13.966 0.396 1.00 0.00 C ATOM 928 O GLN A 66 -4.636 -15.118 0.252 1.00 0.00 O ATOM 929 CB GLN A 66 -5.903 -13.196 2.591 1.00 0.00 C ATOM 930 CG GLN A 66 -6.493 -14.600 2.760 1.00 0.00 C ATOM 931 CD GLN A 66 -6.030 -15.204 4.089 1.00 0.00 C ATOM 932 OE1 GLN A 66 -6.789 -15.271 5.035 1.00 0.00 O ATOM 933 NE2 GLN A 66 -4.807 -15.647 4.201 1.00 0.00 N ATOM 0 H GLN A 66 -5.256 -11.162 1.509 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.810 -13.651 2.139 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -5.627 -12.801 3.568 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.664 -12.532 2.182 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.582 -14.552 2.732 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.181 -15.237 1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.170 -15.591 3.407 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.489 -16.049 5.083 1.00 0.00 H new ATOM 942 N ALA A 67 -5.698 -13.356 -0.519 1.00 0.00 N ATOM 943 CA ALA A 67 -6.077 -14.063 -1.774 1.00 0.00 C ATOM 944 C ALA A 67 -4.992 -13.879 -2.829 1.00 0.00 C ATOM 945 O ALA A 67 -4.611 -14.805 -3.517 1.00 0.00 O ATOM 946 CB ALA A 67 -7.401 -13.491 -2.293 1.00 0.00 C ATOM 0 H ALA A 67 -6.026 -12.392 -0.451 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.190 -15.127 -1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.684 -14.005 -3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.178 -13.635 -1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.283 -12.426 -2.494 1.00 0.00 H new ATOM 952 N LYS A 68 -4.508 -12.681 -2.972 1.00 0.00 N ATOM 953 CA LYS A 68 -3.461 -12.412 -3.996 1.00 0.00 C ATOM 954 C LYS A 68 -2.083 -12.480 -3.346 1.00 0.00 C ATOM 955 O LYS A 68 -1.069 -12.258 -3.978 1.00 0.00 O ATOM 956 CB LYS A 68 -3.699 -11.026 -4.587 1.00 0.00 C ATOM 957 CG LYS A 68 -5.122 -10.966 -5.166 1.00 0.00 C ATOM 958 CD LYS A 68 -6.083 -10.366 -4.136 1.00 0.00 C ATOM 959 CE LYS A 68 -7.450 -10.144 -4.784 1.00 0.00 C ATOM 960 NZ LYS A 68 -8.465 -9.882 -3.724 1.00 0.00 N ATOM 0 H LYS A 68 -4.793 -11.871 -2.422 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.509 -13.158 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.572 -10.263 -3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.966 -10.818 -5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.128 -10.364 -6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.453 -11.967 -5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.179 -11.034 -3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.688 -9.422 -3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.405 -9.302 -5.475 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.735 -11.020 -5.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.413 -9.849 -4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.431 -10.643 -3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.260 -8.972 -3.265 1.00 0.00 H new ATOM 974 N LYS A 69 -2.046 -12.803 -2.089 1.00 0.00 N ATOM 975 CA LYS A 69 -0.749 -12.914 -1.371 1.00 0.00 C ATOM 976 C LYS A 69 0.039 -11.602 -1.478 1.00 0.00 C ATOM 977 O LYS A 69 1.221 -11.560 -1.200 1.00 0.00 O ATOM 978 CB LYS A 69 0.071 -14.064 -1.974 1.00 0.00 C ATOM 979 CG LYS A 69 -0.234 -15.372 -1.229 1.00 0.00 C ATOM 980 CD LYS A 69 -1.753 -15.566 -1.100 1.00 0.00 C ATOM 981 CE LYS A 69 -2.077 -17.061 -1.043 1.00 0.00 C ATOM 982 NZ LYS A 69 -1.873 -17.665 -2.390 1.00 0.00 N ATOM 0 H LYS A 69 -2.869 -12.998 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.944 -13.116 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.166 -14.175 -3.032 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.135 -13.837 -1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.204 -16.215 -1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.223 -15.351 -0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.118 -15.070 -0.201 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.262 -15.105 -1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.438 -17.555 -0.311 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.107 -17.209 -0.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.488 -18.497 -2.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.109 -16.966 -3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.879 -17.953 -2.494 1.00 0.00 H new ATOM 996 N HIS A 70 -0.601 -10.522 -1.844 1.00 0.00 N ATOM 997 CA HIS A 70 0.138 -9.224 -1.918 1.00 0.00 C ATOM 998 C HIS A 70 0.320 -8.723 -0.484 1.00 0.00 C ATOM 999 O HIS A 70 -0.638 -8.538 0.239 1.00 0.00 O ATOM 1000 CB HIS A 70 -0.662 -8.215 -2.747 1.00 0.00 C ATOM 1001 CG HIS A 70 -0.702 -8.681 -4.177 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -1.771 -8.408 -5.019 1.00 0.00 N ATOM 1003 CD2 HIS A 70 0.191 -9.406 -4.931 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -1.496 -8.960 -6.215 1.00 0.00 C ATOM 1005 NE2 HIS A 70 -0.315 -9.578 -6.212 1.00 0.00 N ATOM 0 H HIS A 70 -1.590 -10.480 -2.092 1.00 0.00 H new ATOM 0 HA HIS A 70 1.108 -9.352 -2.399 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.674 -8.121 -2.353 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.203 -7.228 -2.685 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.140 -9.783 -4.580 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.151 -8.909 -7.072 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.124 -10.073 -6.988 1.00 0.00 H new ATOM 1013 N ASN A 71 1.540 -8.545 -0.042 1.00 0.00 N ATOM 1014 CA ASN A 71 1.755 -8.109 1.367 1.00 0.00 C ATOM 1015 C ASN A 71 1.829 -6.586 1.471 1.00 0.00 C ATOM 1016 O ASN A 71 1.312 -5.998 2.400 1.00 0.00 O ATOM 1017 CB ASN A 71 3.060 -8.722 1.882 1.00 0.00 C ATOM 1018 CG ASN A 71 4.031 -8.924 0.715 1.00 0.00 C ATOM 1019 OD1 ASN A 71 3.881 -9.847 -0.061 1.00 0.00 O ATOM 1020 ND2 ASN A 71 5.026 -8.095 0.557 1.00 0.00 N ATOM 0 H ASN A 71 2.388 -8.682 -0.592 1.00 0.00 H new ATOM 0 HA ASN A 71 0.912 -8.447 1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.508 -8.070 2.632 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.858 -9.676 2.369 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.677 -8.222 -0.218 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.152 -7.320 1.208 1.00 0.00 H new ATOM 1027 N LEU A 72 2.493 -5.945 0.557 1.00 0.00 N ATOM 1028 CA LEU A 72 2.633 -4.465 0.650 1.00 0.00 C ATOM 1029 C LEU A 72 1.409 -3.728 0.112 1.00 0.00 C ATOM 1030 O LEU A 72 0.938 -3.967 -0.983 1.00 0.00 O ATOM 1031 CB LEU A 72 3.859 -4.028 -0.139 1.00 0.00 C ATOM 1032 CG LEU A 72 5.114 -4.580 0.536 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.289 -4.473 -0.431 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.424 -3.774 1.805 1.00 0.00 C ATOM 0 H LEU A 72 2.945 -6.377 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 72 2.735 -4.212 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.794 -4.390 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.906 -2.940 -0.188 1.00 0.00 H new ATOM 0 HG LEU A 72 4.949 -5.623 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.188 -4.865 0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.073 -5.049 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.446 -3.428 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.320 -4.174 2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.589 -2.729 1.541 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.584 -3.846 2.496 1.00 0.00 H new ATOM 1046 N THR A 73 0.932 -2.796 0.884 1.00 0.00 N ATOM 1047 CA THR A 73 -0.226 -1.958 0.474 1.00 0.00 C ATOM 1048 C THR A 73 -0.016 -0.588 1.117 1.00 0.00 C ATOM 1049 O THR A 73 0.747 -0.467 2.052 1.00 0.00 O ATOM 1050 CB THR A 73 -1.533 -2.580 0.976 1.00 0.00 C ATOM 1051 OG1 THR A 73 -1.679 -2.317 2.365 1.00 0.00 O ATOM 1052 CG2 THR A 73 -1.503 -4.092 0.743 1.00 0.00 C ATOM 0 H THR A 73 1.306 -2.574 1.807 1.00 0.00 H new ATOM 0 HA THR A 73 -0.293 -1.881 -0.611 1.00 0.00 H new ATOM 0 HB THR A 73 -2.373 -2.147 0.433 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.466 -1.751 2.510 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.433 -4.534 1.100 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.391 -4.294 -0.322 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.663 -4.527 1.285 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.643 0.451 0.634 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.399 1.795 1.250 1.00 0.00 C ATOM 1062 C VAL A 74 -1.698 2.413 1.761 1.00 0.00 C ATOM 1063 O VAL A 74 -2.668 2.556 1.043 1.00 0.00 O ATOM 1064 CB VAL A 74 0.247 2.724 0.215 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -0.484 2.596 -1.125 1.00 0.00 C ATOM 1066 CG2 VAL A 74 0.162 4.178 0.696 1.00 0.00 C ATOM 0 H VAL A 74 -1.302 0.434 -0.145 1.00 0.00 H new ATOM 0 HA VAL A 74 0.271 1.666 2.100 1.00 0.00 H new ATOM 0 HB VAL A 74 1.292 2.441 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.021 3.258 -1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.421 1.566 -1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.530 2.873 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.623 4.833 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.883 4.457 0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.686 4.278 1.646 1.00 0.00 H new ATOM 1076 N ASN A 75 -1.699 2.801 3.011 1.00 0.00 N ATOM 1077 CA ASN A 75 -2.903 3.436 3.606 1.00 0.00 C ATOM 1078 C ASN A 75 -2.937 4.901 3.181 1.00 0.00 C ATOM 1079 O ASN A 75 -2.241 5.734 3.727 1.00 0.00 O ATOM 1080 CB ASN A 75 -2.829 3.346 5.133 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.214 3.604 5.728 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -5.050 4.226 5.103 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -4.496 3.147 6.918 1.00 0.00 N ATOM 0 H ASN A 75 -0.907 2.702 3.647 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.803 2.926 3.264 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.471 2.361 5.433 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.115 4.075 5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.418 3.312 7.323 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.795 2.625 7.443 1.00 0.00 H new ATOM 1090 N LEU A 76 -3.733 5.219 2.205 1.00 0.00 N ATOM 1091 CA LEU A 76 -3.809 6.630 1.735 1.00 0.00 C ATOM 1092 C LEU A 76 -4.436 7.488 2.829 1.00 0.00 C ATOM 1093 O LEU A 76 -4.836 8.614 2.608 1.00 0.00 O ATOM 1094 CB LEU A 76 -4.648 6.682 0.459 1.00 0.00 C ATOM 1095 CG LEU A 76 -4.177 5.563 -0.495 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -5.360 4.675 -0.882 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -3.551 6.161 -1.762 1.00 0.00 C ATOM 0 H LEU A 76 -4.337 4.563 1.709 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.812 7.015 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.704 6.555 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.544 7.655 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.426 4.965 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.019 3.888 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.787 4.226 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.119 5.277 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.225 5.357 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.289 6.776 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.693 6.776 -1.489 1.00 0.00 H new ATOM 1109 N THR A 77 -4.505 6.957 4.018 1.00 0.00 N ATOM 1110 CA THR A 77 -5.082 7.720 5.155 1.00 0.00 C ATOM 1111 C THR A 77 -3.943 8.406 5.904 1.00 0.00 C ATOM 1112 O THR A 77 -4.057 9.536 6.337 1.00 0.00 O ATOM 1113 CB THR A 77 -5.795 6.749 6.094 1.00 0.00 C ATOM 1114 OG1 THR A 77 -6.773 6.033 5.358 1.00 0.00 O ATOM 1115 CG2 THR A 77 -6.454 7.529 7.233 1.00 0.00 C ATOM 0 H THR A 77 -4.183 6.018 4.251 1.00 0.00 H new ATOM 0 HA THR A 77 -5.792 8.464 4.793 1.00 0.00 H new ATOM 0 HB THR A 77 -5.079 6.047 6.521 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.376 5.213 4.998 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.963 6.835 7.902 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.692 8.076 7.788 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.178 8.232 6.821 1.00 0.00 H new ATOM 1123 N THR A 78 -2.844 7.718 6.059 1.00 0.00 N ATOM 1124 CA THR A 78 -1.676 8.307 6.782 1.00 0.00 C ATOM 1125 C THR A 78 -0.450 8.364 5.863 1.00 0.00 C ATOM 1126 O THR A 78 0.528 9.015 6.167 1.00 0.00 O ATOM 1127 CB THR A 78 -1.346 7.449 8.008 1.00 0.00 C ATOM 1128 OG1 THR A 78 -2.537 7.207 8.744 1.00 0.00 O ATOM 1129 CG2 THR A 78 -0.330 8.176 8.903 1.00 0.00 C ATOM 0 H THR A 78 -2.703 6.768 5.715 1.00 0.00 H new ATOM 0 HA THR A 78 -1.934 9.319 7.094 1.00 0.00 H new ATOM 0 HB THR A 78 -0.916 6.503 7.679 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.660 7.916 9.410 1.00 0.00 H new ATOM 0 HG21 THR A 78 -0.102 7.558 9.771 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.584 8.361 8.339 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.751 9.126 9.234 1.00 0.00 H new ATOM 1137 N PHE A 79 -0.497 7.694 4.744 1.00 0.00 N ATOM 1138 CA PHE A 79 0.662 7.713 3.799 1.00 0.00 C ATOM 1139 C PHE A 79 1.784 6.797 4.307 1.00 0.00 C ATOM 1140 O PHE A 79 2.919 7.206 4.456 1.00 0.00 O ATOM 1141 CB PHE A 79 1.194 9.145 3.644 1.00 0.00 C ATOM 1142 CG PHE A 79 0.051 10.129 3.742 1.00 0.00 C ATOM 1143 CD1 PHE A 79 -1.147 9.883 3.059 1.00 0.00 C ATOM 1144 CD2 PHE A 79 0.190 11.288 4.515 1.00 0.00 C ATOM 1145 CE1 PHE A 79 -2.206 10.794 3.152 1.00 0.00 C ATOM 1146 CE2 PHE A 79 -0.869 12.200 4.606 1.00 0.00 C ATOM 1147 CZ PHE A 79 -2.066 11.953 3.924 1.00 0.00 C ATOM 0 H PHE A 79 -1.291 7.131 4.440 1.00 0.00 H new ATOM 0 HA PHE A 79 0.322 7.349 2.829 1.00 0.00 H new ATOM 0 HB2 PHE A 79 1.933 9.354 4.417 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.698 9.254 2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.254 8.990 2.461 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.114 11.479 5.041 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.131 10.602 2.628 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -0.762 13.094 5.202 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.882 12.657 3.993 1.00 0.00 H new ATOM 1157 N ARG A 80 1.473 5.553 4.541 1.00 0.00 N ATOM 1158 CA ARG A 80 2.498 4.576 5.003 1.00 0.00 C ATOM 1159 C ARG A 80 2.175 3.243 4.340 1.00 0.00 C ATOM 1160 O ARG A 80 1.228 3.138 3.589 1.00 0.00 O ATOM 1161 CB ARG A 80 2.471 4.413 6.532 1.00 0.00 C ATOM 1162 CG ARG A 80 1.172 4.985 7.120 1.00 0.00 C ATOM 1163 CD ARG A 80 0.810 4.203 8.386 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.419 4.774 9.014 1.00 0.00 N ATOM 1165 CZ ARG A 80 -0.332 5.555 10.059 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -1.420 6.019 10.612 1.00 0.00 N ATOM 1167 NH2 ARG A 80 0.834 5.880 10.549 1.00 0.00 N ATOM 0 H ARG A 80 0.536 5.166 4.430 1.00 0.00 H new ATOM 0 HA ARG A 80 3.493 4.929 4.733 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.559 3.358 6.791 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.329 4.922 6.971 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.298 6.042 7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.365 4.914 6.390 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.647 3.154 8.139 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.639 4.239 9.093 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.335 4.553 8.624 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.332 5.772 10.229 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.358 6.629 11.427 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.686 5.524 10.116 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.892 6.490 11.365 1.00 0.00 H new ATOM 1181 N LEU A 81 2.942 2.227 4.598 1.00 0.00 N ATOM 1182 CA LEU A 81 2.659 0.911 3.961 1.00 0.00 C ATOM 1183 C LEU A 81 2.421 -0.145 5.025 1.00 0.00 C ATOM 1184 O LEU A 81 2.636 0.066 6.197 1.00 0.00 O ATOM 1185 CB LEU A 81 3.848 0.497 3.089 1.00 0.00 C ATOM 1186 CG LEU A 81 3.679 1.045 1.665 1.00 0.00 C ATOM 1187 CD1 LEU A 81 5.040 1.497 1.125 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.091 -0.035 0.735 1.00 0.00 C ATOM 0 H LEU A 81 3.750 2.247 5.220 1.00 0.00 H new ATOM 0 HA LEU A 81 1.765 1.002 3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.775 0.873 3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.927 -0.590 3.061 1.00 0.00 H new ATOM 0 HG LEU A 81 2.994 1.892 1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.919 1.886 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.446 2.278 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.725 0.649 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.979 0.372 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.761 -0.894 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.117 -0.348 1.111 1.00 0.00 H new ATOM 1200 N TRP A 82 1.985 -1.286 4.598 1.00 0.00 N ATOM 1201 CA TRP A 82 1.722 -2.409 5.532 1.00 0.00 C ATOM 1202 C TRP A 82 2.053 -3.704 4.795 1.00 0.00 C ATOM 1203 O TRP A 82 1.388 -4.076 3.846 1.00 0.00 O ATOM 1204 CB TRP A 82 0.245 -2.398 5.947 1.00 0.00 C ATOM 1205 CG TRP A 82 0.107 -2.860 7.367 1.00 0.00 C ATOM 1206 CD1 TRP A 82 0.677 -2.258 8.435 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -0.639 -4.000 7.889 1.00 0.00 C ATOM 1208 NE1 TRP A 82 0.334 -2.956 9.579 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -0.475 -4.037 9.295 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -1.431 -4.994 7.289 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -1.075 -5.024 10.076 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -2.037 -5.990 8.073 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -1.859 -6.005 9.463 1.00 0.00 C ATOM 0 H TRP A 82 1.794 -1.496 3.618 1.00 0.00 H new ATOM 0 HA TRP A 82 2.330 -2.319 6.432 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -0.163 -1.393 5.842 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -0.331 -3.047 5.287 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.299 -1.376 8.401 1.00 0.00 H new ATOM 0 HE1 TRP A 82 0.642 -2.702 10.518 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -1.575 -4.992 6.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.935 -5.030 11.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -2.644 -6.749 7.602 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -2.327 -6.774 10.060 1.00 0.00 H new ATOM 1224 N CYS A 83 3.089 -4.378 5.200 1.00 0.00 N ATOM 1225 CA CYS A 83 3.479 -5.629 4.507 1.00 0.00 C ATOM 1226 C CYS A 83 2.805 -6.823 5.169 1.00 0.00 C ATOM 1227 O CYS A 83 3.177 -7.213 6.247 1.00 0.00 O ATOM 1228 CB CYS A 83 4.995 -5.800 4.606 1.00 0.00 C ATOM 1229 SG CYS A 83 5.606 -6.590 3.101 1.00 0.00 S ATOM 0 H CYS A 83 3.684 -4.114 5.985 1.00 0.00 H new ATOM 0 HA CYS A 83 3.170 -5.573 3.463 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.474 -4.830 4.742 1.00 0.00 H new ATOM 0 HB3 CYS A 83 5.248 -6.405 5.477 1.00 0.00 H new ATOM 1234 N TYR A 84 1.846 -7.431 4.534 1.00 0.00 N ATOM 1235 CA TYR A 84 1.220 -8.623 5.164 1.00 0.00 C ATOM 1236 C TYR A 84 2.266 -9.735 5.148 1.00 0.00 C ATOM 1237 O TYR A 84 2.031 -10.843 5.586 1.00 0.00 O ATOM 1238 CB TYR A 84 -0.029 -9.054 4.379 1.00 0.00 C ATOM 1239 CG TYR A 84 -1.008 -9.716 5.316 1.00 0.00 C ATOM 1240 CD1 TYR A 84 -0.905 -11.087 5.585 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -2.017 -8.959 5.918 1.00 0.00 C ATOM 1242 CE1 TYR A 84 -1.812 -11.698 6.458 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -2.925 -9.569 6.791 1.00 0.00 C ATOM 1244 CZ TYR A 84 -2.822 -10.940 7.061 1.00 0.00 C ATOM 1245 OH TYR A 84 -3.718 -11.542 7.921 1.00 0.00 O ATOM 0 H TYR A 84 1.474 -7.162 3.623 1.00 0.00 H new ATOM 0 HA TYR A 84 0.904 -8.400 6.183 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.491 -8.188 3.906 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.249 -9.742 3.581 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.126 -11.672 5.119 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -2.096 -7.902 5.709 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.733 -12.755 6.666 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.704 -8.984 7.256 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.353 -10.873 8.253 1.00 0.00 H new ATOM 1255 N ALA A 85 3.441 -9.415 4.666 1.00 0.00 N ATOM 1256 CA ALA A 85 4.546 -10.406 4.636 1.00 0.00 C ATOM 1257 C ALA A 85 5.458 -10.087 5.815 1.00 0.00 C ATOM 1258 O ALA A 85 5.481 -10.794 6.801 1.00 0.00 O ATOM 1259 CB ALA A 85 5.328 -10.295 3.327 1.00 0.00 C ATOM 0 H ALA A 85 3.679 -8.497 4.289 1.00 0.00 H new ATOM 0 HA ALA A 85 4.155 -11.421 4.703 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.134 -11.028 3.322 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.660 -10.484 2.487 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.748 -9.293 3.238 1.00 0.00 H new ATOM 1265 N CYS A 86 6.168 -8.984 5.755 1.00 0.00 N ATOM 1266 CA CYS A 86 7.007 -8.604 6.910 1.00 0.00 C ATOM 1267 C CYS A 86 6.030 -8.317 8.040 1.00 0.00 C ATOM 1268 O CYS A 86 6.391 -8.157 9.189 1.00 0.00 O ATOM 1269 CB CYS A 86 7.815 -7.343 6.579 1.00 0.00 C ATOM 1270 SG CYS A 86 8.771 -7.613 5.067 1.00 0.00 S ATOM 0 H CYS A 86 6.196 -8.345 4.961 1.00 0.00 H new ATOM 0 HA CYS A 86 7.717 -9.387 7.175 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.145 -6.493 6.450 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.483 -7.100 7.405 1.00 0.00 H new ATOM 1275 N GLU A 87 4.772 -8.267 7.684 1.00 0.00 N ATOM 1276 CA GLU A 87 3.700 -8.008 8.675 1.00 0.00 C ATOM 1277 C GLU A 87 4.094 -6.825 9.562 1.00 0.00 C ATOM 1278 O GLU A 87 4.277 -6.950 10.756 1.00 0.00 O ATOM 1279 CB GLU A 87 3.483 -9.282 9.495 1.00 0.00 C ATOM 1280 CG GLU A 87 2.057 -9.804 9.284 1.00 0.00 C ATOM 1281 CD GLU A 87 1.065 -8.886 10.002 1.00 0.00 C ATOM 1282 OE1 GLU A 87 -0.007 -8.668 9.463 1.00 0.00 O ATOM 1283 OE2 GLU A 87 1.396 -8.415 11.078 1.00 0.00 O ATOM 0 H GLU A 87 4.443 -8.398 6.728 1.00 0.00 H new ATOM 0 HA GLU A 87 2.766 -7.747 8.177 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.205 -10.043 9.199 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.652 -9.077 10.552 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.827 -9.844 8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.970 -10.821 9.667 1.00 0.00 H new ATOM 1290 N LYS A 88 4.217 -5.667 8.970 1.00 0.00 N ATOM 1291 CA LYS A 88 4.587 -4.455 9.752 1.00 0.00 C ATOM 1292 C LYS A 88 4.203 -3.207 8.954 1.00 0.00 C ATOM 1293 O LYS A 88 3.628 -3.298 7.890 1.00 0.00 O ATOM 1294 CB LYS A 88 6.096 -4.449 10.009 1.00 0.00 C ATOM 1295 CG LYS A 88 6.827 -4.840 8.725 1.00 0.00 C ATOM 1296 CD LYS A 88 8.320 -4.515 8.857 1.00 0.00 C ATOM 1297 CE LYS A 88 8.993 -5.487 9.839 1.00 0.00 C ATOM 1298 NZ LYS A 88 9.486 -4.729 11.024 1.00 0.00 N ATOM 0 H LYS A 88 4.076 -5.509 7.972 1.00 0.00 H new ATOM 0 HA LYS A 88 4.059 -4.461 10.706 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.417 -3.460 10.338 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.343 -5.147 10.809 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.693 -5.904 8.529 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.402 -4.304 7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.801 -4.582 7.881 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.447 -3.490 9.205 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.284 -6.254 10.153 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.822 -6.000 9.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.942 -5.385 11.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.175 -4.013 10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.685 -4.260 11.493 1.00 0.00 H new ATOM 1312 N GLU A 89 4.519 -2.047 9.460 1.00 0.00 N ATOM 1313 CA GLU A 89 4.177 -0.782 8.740 1.00 0.00 C ATOM 1314 C GLU A 89 5.460 -0.185 8.156 1.00 0.00 C ATOM 1315 O GLU A 89 6.492 -0.193 8.797 1.00 0.00 O ATOM 1316 CB GLU A 89 3.556 0.199 9.742 1.00 0.00 C ATOM 1317 CG GLU A 89 2.689 1.230 9.013 1.00 0.00 C ATOM 1318 CD GLU A 89 1.732 1.877 10.015 1.00 0.00 C ATOM 1319 OE1 GLU A 89 0.545 1.610 9.929 1.00 0.00 O ATOM 1320 OE2 GLU A 89 2.203 2.628 10.854 1.00 0.00 O ATOM 0 H GLU A 89 5.003 -1.918 10.348 1.00 0.00 H new ATOM 0 HA GLU A 89 3.469 -0.978 7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.952 -0.346 10.467 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.343 0.706 10.300 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.318 1.990 8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.127 0.750 8.212 1.00 0.00 H new ATOM 1327 N VAL A 90 5.427 0.326 6.946 1.00 0.00 N ATOM 1328 CA VAL A 90 6.682 0.898 6.372 1.00 0.00 C ATOM 1329 C VAL A 90 6.371 2.122 5.506 1.00 0.00 C ATOM 1330 O VAL A 90 5.395 2.169 4.797 1.00 0.00 O ATOM 1331 CB VAL A 90 7.393 -0.176 5.529 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.059 -1.190 6.464 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.383 -0.904 4.622 1.00 0.00 C ATOM 0 H VAL A 90 4.604 0.370 6.345 1.00 0.00 H new ATOM 0 HA VAL A 90 7.333 1.213 7.188 1.00 0.00 H new ATOM 0 HB VAL A 90 8.144 0.305 4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.564 -1.953 5.872 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.786 -0.680 7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.301 -1.660 7.091 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.902 -1.660 4.033 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.621 -1.383 5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.910 -0.185 3.953 1.00 0.00 H new ATOM 1343 N PHE A 91 7.213 3.113 5.559 1.00 0.00 N ATOM 1344 CA PHE A 91 7.003 4.341 4.742 1.00 0.00 C ATOM 1345 C PHE A 91 7.942 4.294 3.551 1.00 0.00 C ATOM 1346 O PHE A 91 8.847 3.487 3.501 1.00 0.00 O ATOM 1347 CB PHE A 91 7.369 5.584 5.547 1.00 0.00 C ATOM 1348 CG PHE A 91 6.458 5.721 6.745 1.00 0.00 C ATOM 1349 CD1 PHE A 91 5.526 6.765 6.798 1.00 0.00 C ATOM 1350 CD2 PHE A 91 6.547 4.808 7.803 1.00 0.00 C ATOM 1351 CE1 PHE A 91 4.684 6.896 7.909 1.00 0.00 C ATOM 1352 CE2 PHE A 91 5.703 4.939 8.913 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.772 5.982 8.967 1.00 0.00 C ATOM 0 H PHE A 91 8.050 3.126 6.142 1.00 0.00 H new ATOM 0 HA PHE A 91 5.957 4.383 4.437 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.406 5.520 5.876 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.288 6.470 4.917 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.457 7.469 5.982 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.266 4.003 7.763 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.966 7.702 7.950 1.00 0.00 H new ATOM 0 HE2 PHE A 91 5.771 4.234 9.728 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.122 6.082 9.824 1.00 0.00 H new ATOM 1363 N LEU A 92 7.763 5.169 2.605 1.00 0.00 N ATOM 1364 CA LEU A 92 8.685 5.177 1.451 1.00 0.00 C ATOM 1365 C LEU A 92 10.109 5.101 1.996 1.00 0.00 C ATOM 1366 O LEU A 92 10.409 5.619 3.054 1.00 0.00 O ATOM 1367 CB LEU A 92 8.508 6.468 0.648 1.00 0.00 C ATOM 1368 CG LEU A 92 7.039 6.633 0.251 1.00 0.00 C ATOM 1369 CD1 LEU A 92 6.840 8.002 -0.401 1.00 0.00 C ATOM 1370 CD2 LEU A 92 6.644 5.534 -0.743 1.00 0.00 C ATOM 0 H LEU A 92 7.024 5.871 2.584 1.00 0.00 H new ATOM 0 HA LEU A 92 8.478 4.333 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.833 7.323 1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.135 6.442 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 92 6.414 6.556 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.794 8.121 -0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.116 8.785 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.467 8.077 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.598 5.655 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.268 5.607 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.785 4.557 -0.280 1.00 0.00 H new ATOM 1382 N GLU A 93 10.974 4.446 1.295 1.00 0.00 N ATOM 1383 CA GLU A 93 12.385 4.306 1.755 1.00 0.00 C ATOM 1384 C GLU A 93 12.958 5.673 2.158 1.00 0.00 C ATOM 1385 O GLU A 93 14.114 5.783 2.516 1.00 0.00 O ATOM 1386 CB GLU A 93 13.222 3.715 0.621 1.00 0.00 C ATOM 1387 CG GLU A 93 12.909 4.456 -0.681 1.00 0.00 C ATOM 1388 CD GLU A 93 13.534 3.708 -1.860 1.00 0.00 C ATOM 1389 OE1 GLU A 93 14.197 2.713 -1.618 1.00 0.00 O ATOM 1390 OE2 GLU A 93 13.340 4.144 -2.983 1.00 0.00 O ATOM 0 H GLU A 93 10.767 3.991 0.406 1.00 0.00 H new ATOM 0 HA GLU A 93 12.413 3.648 2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.283 3.800 0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.005 2.653 0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.830 4.533 -0.817 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.298 5.473 -0.635 1.00 0.00 H new ATOM 1397 N GLN A 94 12.165 6.712 2.107 1.00 0.00 N ATOM 1398 CA GLN A 94 12.667 8.065 2.490 1.00 0.00 C ATOM 1399 C GLN A 94 13.780 8.505 1.535 1.00 0.00 C ATOM 1400 O GLN A 94 14.074 9.679 1.418 1.00 0.00 O ATOM 1401 CB GLN A 94 13.209 8.031 3.922 1.00 0.00 C ATOM 1402 CG GLN A 94 12.239 7.262 4.823 1.00 0.00 C ATOM 1403 CD GLN A 94 12.648 7.446 6.286 1.00 0.00 C ATOM 1404 OE1 GLN A 94 13.436 6.684 6.808 1.00 0.00 O ATOM 1405 NE2 GLN A 94 12.140 8.433 6.973 1.00 0.00 N ATOM 0 H GLN A 94 11.188 6.681 1.816 1.00 0.00 H new ATOM 0 HA GLN A 94 11.842 8.775 2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 94 14.190 7.556 3.939 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.340 9.047 4.296 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.221 7.622 4.671 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.245 6.204 4.563 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.478 9.073 6.534 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.405 8.565 7.949 1.00 0.00 H new ATOM 1414 N ARG A 95 14.404 7.584 0.850 1.00 0.00 N ATOM 1415 CA ARG A 95 15.493 7.971 -0.092 1.00 0.00 C ATOM 1416 C ARG A 95 15.013 9.136 -0.957 1.00 0.00 C ATOM 1417 O ARG A 95 15.782 9.982 -1.366 1.00 0.00 O ATOM 1418 CB ARG A 95 15.866 6.761 -0.967 1.00 0.00 C ATOM 1419 CG ARG A 95 15.068 6.762 -2.284 1.00 0.00 C ATOM 1420 CD ARG A 95 15.698 7.728 -3.300 1.00 0.00 C ATOM 1421 NE ARG A 95 16.226 6.951 -4.460 1.00 0.00 N ATOM 1422 CZ ARG A 95 17.440 6.470 -4.433 1.00 0.00 C ATOM 1423 NH1 ARG A 95 17.891 5.784 -5.448 1.00 0.00 N ATOM 1424 NH2 ARG A 95 18.205 6.675 -3.394 1.00 0.00 N ATOM 0 H ARG A 95 14.207 6.584 0.902 1.00 0.00 H new ATOM 0 HA ARG A 95 16.378 8.284 0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 95 16.934 6.781 -1.185 1.00 0.00 H new ATOM 0 HB3 ARG A 95 15.670 5.839 -0.420 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.042 5.755 -2.700 1.00 0.00 H new ATOM 0 HG3 ARG A 95 14.036 7.053 -2.089 1.00 0.00 H new ATOM 0 HD2 ARG A 95 14.956 8.451 -3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 95 16.503 8.294 -2.830 1.00 0.00 H new ATOM 0 HE ARG A 95 15.636 6.795 -5.277 1.00 0.00 H new ATOM 0 HH11 ARG A 95 17.296 5.624 -6.261 1.00 0.00 H new ATOM 0 HH12 ARG A 95 18.839 5.408 -5.428 1.00 0.00 H new ATOM 0 HH21 ARG A 95 17.855 7.212 -2.601 1.00 0.00 H new ATOM 0 HH22 ARG A 95 19.153 6.298 -3.376 1.00 0.00 H new ATOM 1438 N LEU A 96 13.740 9.180 -1.236 1.00 0.00 N ATOM 1439 CA LEU A 96 13.193 10.284 -2.074 1.00 0.00 C ATOM 1440 C LEU A 96 12.695 11.409 -1.170 1.00 0.00 C ATOM 1441 O LEU A 96 12.704 11.299 0.040 1.00 0.00 O ATOM 1442 CB LEU A 96 12.035 9.759 -2.933 1.00 0.00 C ATOM 1443 CG LEU A 96 10.993 9.042 -2.052 1.00 0.00 C ATOM 1444 CD1 LEU A 96 9.818 9.983 -1.765 1.00 0.00 C ATOM 1445 CD2 LEU A 96 10.473 7.801 -2.784 1.00 0.00 C ATOM 0 H LEU A 96 13.052 8.497 -0.919 1.00 0.00 H new ATOM 0 HA LEU A 96 13.978 10.665 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.564 10.586 -3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 96 12.417 9.072 -3.688 1.00 0.00 H new ATOM 0 HG LEU A 96 11.462 8.749 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.085 9.470 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.180 10.869 -1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.352 10.280 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.736 7.293 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.009 8.101 -3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.303 7.125 -2.988 1.00 0.00 H new ATOM 1457 N ALA A 97 12.260 12.495 -1.752 1.00 0.00 N ATOM 1458 CA ALA A 97 11.757 13.641 -0.937 1.00 0.00 C ATOM 1459 C ALA A 97 10.339 13.999 -1.385 1.00 0.00 C ATOM 1460 O ALA A 97 9.727 13.297 -2.165 1.00 0.00 O ATOM 1461 CB ALA A 97 12.674 14.849 -1.140 1.00 0.00 C ATOM 0 H ALA A 97 12.231 12.639 -2.761 1.00 0.00 H new ATOM 0 HA ALA A 97 11.747 13.363 0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.309 15.687 -0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 97 13.686 14.595 -0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.681 15.127 -2.194 1.00 0.00 H new ATOM 1467 N ALA A 98 9.810 15.087 -0.895 1.00 0.00 N ATOM 1468 CA ALA A 98 8.431 15.490 -1.292 1.00 0.00 C ATOM 1469 C ALA A 98 7.445 14.393 -0.873 1.00 0.00 C ATOM 1470 O ALA A 98 7.827 13.264 -0.637 1.00 0.00 O ATOM 1471 CB ALA A 98 8.378 15.688 -2.814 1.00 0.00 C ATOM 0 H ALA A 98 10.273 15.714 -0.237 1.00 0.00 H new ATOM 0 HA ALA A 98 8.161 16.424 -0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.371 15.983 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.083 16.467 -3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.643 14.755 -3.312 1.00 0.00 H new ATOM 1477 N PRO A 99 6.184 14.726 -0.781 1.00 0.00 N ATOM 1478 CA PRO A 99 5.121 13.756 -0.384 1.00 0.00 C ATOM 1479 C PRO A 99 4.831 12.734 -1.488 1.00 0.00 C ATOM 1480 O PRO A 99 4.226 13.113 -2.476 1.00 0.00 O ATOM 1481 CB PRO A 99 3.896 14.643 -0.134 1.00 0.00 C ATOM 1482 CG PRO A 99 4.117 15.858 -0.975 1.00 0.00 C ATOM 1483 CD PRO A 99 5.631 16.066 -1.046 1.00 0.00 C ATOM 1484 OXT PRO A 99 5.222 11.589 -1.325 1.00 0.00 O ATOM 0 HA PRO A 99 5.412 13.164 0.484 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.975 14.132 -0.414 1.00 0.00 H new ATOM 0 HB3 PRO A 99 3.807 14.904 0.920 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.697 15.722 -1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.626 16.727 -0.538 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.938 16.439 -2.023 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.970 16.792 -0.307 1.00 0.00 H new TER 1492 PRO A 99 HETATM 1493 ZN ZN A 101 7.875 -6.915 3.048 1.00 0.00 ZN HETATM 1494 ZN ZN A 102 -12.838 -3.288 -0.107 1.00 0.00 ZN HETATM 1495 ZN ZN A 103 -2.907 -6.774 -4.865 1.00 0.00 ZN