USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET N :NH3+ 130:sc= 0.0251 (180deg=-0.508) USER MOD Set 1.2: A 14 SER OG : rot -179:sc= -2.65! USER MOD Set 2.1: A 1 MET CE :methyl 167:sc= -6.62! (180deg=-7.16!) USER MOD Set 2.2: A 8 SER OG : rot 54:sc= 0.394 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot -164:sc= 0.0196 USER MOD Single : A 21 GLN : amide:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.0539 USER MOD Single : A 47 MET CE :methyl 158:sc= -6.43! (180deg=-10.6!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -4.03! C(o=-4!,f=-7.2!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.238 3.118 0.814 1.00 0.00 N ATOM 2 CA MET A 1 -6.146 3.394 1.739 1.00 0.00 C ATOM 3 C MET A 1 -6.681 3.874 3.084 1.00 0.00 C ATOM 4 O MET A 1 -7.865 4.181 3.219 1.00 0.00 O ATOM 5 CB MET A 1 -5.201 4.443 1.146 1.00 0.00 C ATOM 6 CG MET A 1 -5.854 5.798 0.923 1.00 0.00 C ATOM 7 SD MET A 1 -5.918 6.801 2.421 1.00 0.00 S ATOM 8 CE MET A 1 -4.217 6.703 2.974 1.00 0.00 C ATOM 0 H1 MET A 1 -7.055 3.596 -0.092 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.309 2.092 0.656 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.131 3.469 1.216 1.00 0.00 H new ATOM 0 HA MET A 1 -5.594 2.468 1.899 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.346 4.567 1.811 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.815 4.075 0.196 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.304 6.339 0.153 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.866 5.650 0.547 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.043 7.449 3.749 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.022 5.709 3.377 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.550 6.891 2.133 1.00 0.00 H new ATOM 18 N ILE A 2 -5.801 3.933 4.078 1.00 0.00 N ATOM 19 CA ILE A 2 -6.185 4.374 5.414 1.00 0.00 C ATOM 20 C ILE A 2 -5.638 5.777 5.697 1.00 0.00 C ATOM 21 O ILE A 2 -4.446 6.027 5.536 1.00 0.00 O ATOM 22 CB ILE A 2 -5.693 3.384 6.496 1.00 0.00 C ATOM 23 CG1 ILE A 2 -6.380 2.026 6.322 1.00 0.00 C ATOM 24 CG2 ILE A 2 -5.945 3.926 7.897 1.00 0.00 C ATOM 25 CD1 ILE A 2 -6.041 1.338 5.018 1.00 0.00 C ATOM 0 H ILE A 2 -4.817 3.681 3.984 1.00 0.00 H new ATOM 0 HA ILE A 2 -7.274 4.405 5.451 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.617 3.258 6.373 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.097 1.376 7.150 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.460 2.164 6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.588 3.207 8.635 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.414 4.869 8.023 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -7.014 4.090 8.037 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.563 0.383 4.964 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.350 1.968 4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.966 1.167 4.965 1.00 0.00 H new ATOM 37 N PRO A 3 -6.508 6.721 6.095 1.00 0.00 N ATOM 38 CA PRO A 3 -6.096 8.094 6.409 1.00 0.00 C ATOM 39 C PRO A 3 -5.343 8.161 7.720 1.00 0.00 C ATOM 40 O PRO A 3 -5.098 7.129 8.345 1.00 0.00 O ATOM 41 CB PRO A 3 -7.431 8.818 6.543 1.00 0.00 C ATOM 42 CG PRO A 3 -8.312 7.769 7.111 1.00 0.00 C ATOM 43 CD PRO A 3 -7.949 6.523 6.348 1.00 0.00 C ATOM 0 HA PRO A 3 -5.428 8.516 5.658 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.358 9.685 7.199 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.796 9.177 5.581 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.143 7.644 8.180 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.365 8.021 6.982 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.140 5.620 6.928 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -8.516 6.433 5.422 1.00 0.00 H new ATOM 51 N VAL A 4 -5.016 9.373 8.156 1.00 0.00 N ATOM 52 CA VAL A 4 -4.343 9.554 9.430 1.00 0.00 C ATOM 53 C VAL A 4 -2.930 8.959 9.389 1.00 0.00 C ATOM 54 O VAL A 4 -1.936 9.683 9.451 1.00 0.00 O ATOM 55 CB VAL A 4 -5.206 8.923 10.564 1.00 0.00 C ATOM 56 CG1 VAL A 4 -4.373 8.367 11.718 1.00 0.00 C ATOM 57 CG2 VAL A 4 -6.203 9.947 11.084 1.00 0.00 C ATOM 0 H VAL A 4 -5.206 10.237 7.648 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.232 10.619 9.635 1.00 0.00 H new ATOM 0 HB VAL A 4 -5.732 8.075 10.125 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -5.035 7.943 12.473 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.705 7.591 11.344 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.784 9.170 12.162 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.803 9.500 11.876 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.666 10.810 11.478 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.855 10.266 10.271 1.00 0.00 H new ATOM 67 N ARG A 5 -2.859 7.641 9.296 1.00 0.00 N ATOM 68 CA ARG A 5 -1.589 6.932 9.265 1.00 0.00 C ATOM 69 C ARG A 5 -0.899 7.069 7.915 1.00 0.00 C ATOM 70 O ARG A 5 -1.307 7.862 7.067 1.00 0.00 O ATOM 71 CB ARG A 5 -1.826 5.450 9.549 1.00 0.00 C ATOM 72 CG ARG A 5 -0.846 4.851 10.542 1.00 0.00 C ATOM 73 CD ARG A 5 -1.200 5.222 11.972 1.00 0.00 C ATOM 74 NE ARG A 5 -0.447 4.434 12.943 1.00 0.00 N ATOM 75 CZ ARG A 5 -0.303 4.777 14.219 1.00 0.00 C ATOM 76 NH1 ARG A 5 -0.860 5.892 14.675 1.00 0.00 N ATOM 77 NH2 ARG A 5 0.397 4.007 15.041 1.00 0.00 N ATOM 0 H ARG A 5 -3.677 7.034 9.240 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.945 7.372 10.026 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.839 5.320 9.930 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.764 4.896 8.612 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.840 3.766 10.438 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.162 5.199 10.314 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.000 6.282 12.132 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.268 5.071 12.132 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.006 3.571 12.624 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.399 6.487 14.046 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -0.749 6.154 15.654 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.826 3.149 14.694 1.00 0.00 H new ATOM 0 HH22 ARG A 5 0.506 4.273 16.020 1.00 0.00 H new ATOM 91 N CYS A 6 0.135 6.260 7.726 1.00 0.00 N ATOM 92 CA CYS A 6 0.861 6.206 6.467 1.00 0.00 C ATOM 93 C CYS A 6 -0.089 5.842 5.341 1.00 0.00 C ATOM 94 O CYS A 6 -1.293 6.051 5.458 1.00 0.00 O ATOM 95 CB CYS A 6 1.998 5.189 6.584 1.00 0.00 C ATOM 96 SG CYS A 6 3.637 5.882 6.279 1.00 0.00 S ATOM 0 H CYS A 6 0.492 5.625 8.440 1.00 0.00 H new ATOM 0 HA CYS A 6 1.291 7.182 6.242 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.980 4.752 7.582 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.820 4.378 5.878 1.00 0.00 H new ATOM 101 N LEU A 7 0.461 5.311 4.253 1.00 0.00 N ATOM 102 CA LEU A 7 -0.324 4.898 3.089 1.00 0.00 C ATOM 103 C LEU A 7 -0.579 6.078 2.158 1.00 0.00 C ATOM 104 O LEU A 7 -1.600 6.133 1.474 1.00 0.00 O ATOM 105 CB LEU A 7 -1.662 4.267 3.513 1.00 0.00 C ATOM 106 CG LEU A 7 -1.616 3.158 4.586 1.00 0.00 C ATOM 107 CD1 LEU A 7 -0.194 2.706 4.907 1.00 0.00 C ATOM 108 CD2 LEU A 7 -2.311 3.632 5.850 1.00 0.00 C ATOM 0 H LEU A 7 1.464 5.154 4.151 1.00 0.00 H new ATOM 0 HA LEU A 7 0.257 4.147 2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.309 5.064 3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.137 3.855 2.623 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.139 2.294 4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.223 1.925 5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.276 2.316 4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.382 3.553 5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.275 2.844 6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.808 4.521 6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.350 3.872 5.626 1.00 0.00 H new ATOM 120 N SER A 8 0.362 7.015 2.129 1.00 0.00 N ATOM 121 CA SER A 8 0.242 8.192 1.278 1.00 0.00 C ATOM 122 C SER A 8 1.510 9.035 1.342 1.00 0.00 C ATOM 123 O SER A 8 2.327 9.018 0.422 1.00 0.00 O ATOM 124 CB SER A 8 -0.964 9.032 1.700 1.00 0.00 C ATOM 125 OG SER A 8 -2.041 8.873 0.791 1.00 0.00 O ATOM 0 H SER A 8 1.216 6.982 2.685 1.00 0.00 H new ATOM 0 HA SER A 8 0.099 7.856 0.251 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.282 8.739 2.701 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.679 10.083 1.751 1.00 0.00 H new ATOM 0 HG SER A 8 -2.249 7.920 0.694 1.00 0.00 H new ATOM 131 N CYS A 9 1.669 9.768 2.438 1.00 0.00 N ATOM 132 CA CYS A 9 2.842 10.611 2.627 1.00 0.00 C ATOM 133 C CYS A 9 2.954 11.666 1.527 1.00 0.00 C ATOM 134 O CYS A 9 4.016 12.257 1.331 1.00 0.00 O ATOM 135 CB CYS A 9 4.102 9.749 2.642 1.00 0.00 C ATOM 136 SG CYS A 9 4.632 9.237 4.294 1.00 0.00 S ATOM 0 H CYS A 9 1.001 9.795 3.208 1.00 0.00 H new ATOM 0 HA CYS A 9 2.736 11.126 3.582 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.927 8.859 2.037 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.913 10.302 2.168 1.00 0.00 H new ATOM 141 N GLY A 10 1.858 11.898 0.812 1.00 0.00 N ATOM 142 CA GLY A 10 1.862 12.878 -0.257 1.00 0.00 C ATOM 143 C GLY A 10 1.489 12.278 -1.598 1.00 0.00 C ATOM 144 O GLY A 10 1.090 12.994 -2.517 1.00 0.00 O ATOM 0 H GLY A 10 0.966 11.424 0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.163 13.678 -0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.852 13.329 -0.328 1.00 0.00 H new ATOM 148 N LYS A 11 1.625 10.961 -1.714 1.00 0.00 N ATOM 149 CA LYS A 11 1.315 10.268 -2.959 1.00 0.00 C ATOM 150 C LYS A 11 0.162 9.282 -2.767 1.00 0.00 C ATOM 151 O LYS A 11 0.243 8.380 -1.933 1.00 0.00 O ATOM 152 CB LYS A 11 2.554 9.528 -3.466 1.00 0.00 C ATOM 153 CG LYS A 11 3.302 10.278 -4.552 1.00 0.00 C ATOM 154 CD LYS A 11 3.719 11.656 -4.073 1.00 0.00 C ATOM 155 CE LYS A 11 3.137 12.753 -4.950 1.00 0.00 C ATOM 156 NZ LYS A 11 3.629 14.102 -4.553 1.00 0.00 N ATOM 0 H LYS A 11 1.948 10.353 -0.961 1.00 0.00 H new ATOM 0 HA LYS A 11 1.010 11.011 -3.696 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.228 9.348 -2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.254 8.553 -3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.184 9.710 -4.850 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.670 10.372 -5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.390 11.799 -3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.807 11.728 -4.073 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.399 12.563 -5.991 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.049 12.730 -4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.209 14.822 -5.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.357 14.295 -3.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.665 14.133 -4.638 1.00 0.00 H new ATOM 170 N PRO A 12 -0.928 9.430 -3.543 1.00 0.00 N ATOM 171 CA PRO A 12 -2.095 8.543 -3.445 1.00 0.00 C ATOM 172 C PRO A 12 -1.740 7.085 -3.719 1.00 0.00 C ATOM 173 O PRO A 12 -1.080 6.772 -4.710 1.00 0.00 O ATOM 174 CB PRO A 12 -3.046 9.070 -4.526 1.00 0.00 C ATOM 175 CG PRO A 12 -2.605 10.471 -4.775 1.00 0.00 C ATOM 176 CD PRO A 12 -1.120 10.475 -4.564 1.00 0.00 C ATOM 0 HA PRO A 12 -2.524 8.552 -2.443 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.984 8.469 -5.433 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.083 9.036 -4.191 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.857 10.786 -5.788 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.099 11.164 -4.093 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.581 10.245 -5.483 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.764 11.446 -4.220 1.00 0.00 H new ATOM 184 N VAL A 13 -2.192 6.196 -2.840 1.00 0.00 N ATOM 185 CA VAL A 13 -1.920 4.769 -2.984 1.00 0.00 C ATOM 186 C VAL A 13 -3.200 3.976 -3.251 1.00 0.00 C ATOM 187 O VAL A 13 -3.148 2.841 -3.724 1.00 0.00 O ATOM 188 CB VAL A 13 -1.223 4.206 -1.728 1.00 0.00 C ATOM 189 CG1 VAL A 13 0.025 5.014 -1.409 1.00 0.00 C ATOM 190 CG2 VAL A 13 -2.174 4.193 -0.540 1.00 0.00 C ATOM 0 H VAL A 13 -2.748 6.438 -2.020 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.256 4.660 -3.841 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.926 3.177 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.506 4.605 -0.520 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.716 4.964 -2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.251 6.053 -1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.660 3.792 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.508 5.209 -0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.037 3.569 -0.771 1.00 0.00 H new ATOM 200 N SER A 14 -4.346 4.577 -2.940 1.00 0.00 N ATOM 201 CA SER A 14 -5.634 3.921 -3.136 1.00 0.00 C ATOM 202 C SER A 14 -5.819 3.479 -4.585 1.00 0.00 C ATOM 203 O SER A 14 -6.264 2.363 -4.851 1.00 0.00 O ATOM 204 CB SER A 14 -6.769 4.863 -2.731 1.00 0.00 C ATOM 205 OG SER A 14 -6.356 5.749 -1.705 1.00 0.00 O ATOM 0 H SER A 14 -4.408 5.518 -2.551 1.00 0.00 H new ATOM 0 HA SER A 14 -5.657 3.032 -2.506 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.098 5.435 -3.599 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.625 4.280 -2.390 1.00 0.00 H new ATOM 0 HG SER A 14 -7.104 6.331 -1.454 1.00 0.00 H new ATOM 211 N ALA A 15 -5.485 4.364 -5.517 1.00 0.00 N ATOM 212 CA ALA A 15 -5.630 4.067 -6.938 1.00 0.00 C ATOM 213 C ALA A 15 -4.673 2.962 -7.376 1.00 0.00 C ATOM 214 O ALA A 15 -4.984 2.181 -8.277 1.00 0.00 O ATOM 215 CB ALA A 15 -5.402 5.323 -7.763 1.00 0.00 C ATOM 0 H ALA A 15 -5.112 5.292 -5.315 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.647 3.712 -7.105 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.513 5.088 -8.822 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.133 6.081 -7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.397 5.702 -7.579 1.00 0.00 H new ATOM 221 N TYR A 16 -3.508 2.904 -6.739 1.00 0.00 N ATOM 222 CA TYR A 16 -2.505 1.902 -7.069 1.00 0.00 C ATOM 223 C TYR A 16 -2.770 0.597 -6.327 1.00 0.00 C ATOM 224 O TYR A 16 -2.354 -0.476 -6.768 1.00 0.00 O ATOM 225 CB TYR A 16 -1.116 2.428 -6.719 1.00 0.00 C ATOM 226 CG TYR A 16 -0.457 3.186 -7.849 1.00 0.00 C ATOM 227 CD1 TYR A 16 0.112 2.511 -8.922 1.00 0.00 C ATOM 228 CD2 TYR A 16 -0.410 4.574 -7.847 1.00 0.00 C ATOM 229 CE1 TYR A 16 0.715 3.198 -9.958 1.00 0.00 C ATOM 230 CE2 TYR A 16 0.193 5.268 -8.880 1.00 0.00 C ATOM 231 CZ TYR A 16 0.753 4.575 -9.933 1.00 0.00 C ATOM 232 OH TYR A 16 1.351 5.263 -10.963 1.00 0.00 O ATOM 0 H TYR A 16 -3.236 3.541 -5.990 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.559 1.701 -8.139 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.192 3.081 -5.849 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.480 1.590 -6.434 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.082 1.432 -8.947 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.851 5.120 -7.026 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.155 2.658 -10.784 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.225 6.347 -8.862 1.00 0.00 H new ATOM 0 HH TYR A 16 1.291 6.226 -10.792 1.00 0.00 H new ATOM 242 N PHE A 17 -3.474 0.693 -5.202 1.00 0.00 N ATOM 243 CA PHE A 17 -3.808 -0.486 -4.403 1.00 0.00 C ATOM 244 C PHE A 17 -4.327 -1.615 -5.288 1.00 0.00 C ATOM 245 O PHE A 17 -4.132 -2.793 -4.988 1.00 0.00 O ATOM 246 CB PHE A 17 -4.857 -0.132 -3.344 1.00 0.00 C ATOM 247 CG PHE A 17 -4.280 0.319 -2.026 1.00 0.00 C ATOM 248 CD1 PHE A 17 -2.975 0.786 -1.938 1.00 0.00 C ATOM 249 CD2 PHE A 17 -5.049 0.277 -0.875 1.00 0.00 C ATOM 250 CE1 PHE A 17 -2.453 1.197 -0.726 1.00 0.00 C ATOM 251 CE2 PHE A 17 -4.532 0.689 0.338 1.00 0.00 C ATOM 252 CZ PHE A 17 -3.232 1.149 0.413 1.00 0.00 C ATOM 0 H PHE A 17 -3.824 1.573 -4.822 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.899 -0.825 -3.906 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.499 0.657 -3.735 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.490 -1.002 -3.171 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.362 0.828 -2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.066 -0.083 -0.926 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.436 1.556 -0.670 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.144 0.651 1.227 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.826 1.471 1.361 1.00 0.00 H new ATOM 262 N ASN A 18 -4.977 -1.245 -6.387 1.00 0.00 N ATOM 263 CA ASN A 18 -5.498 -2.227 -7.329 1.00 0.00 C ATOM 264 C ASN A 18 -4.360 -3.071 -7.890 1.00 0.00 C ATOM 265 O ASN A 18 -4.505 -4.277 -8.088 1.00 0.00 O ATOM 266 CB ASN A 18 -6.245 -1.531 -8.468 1.00 0.00 C ATOM 267 CG ASN A 18 -7.438 -2.330 -8.953 1.00 0.00 C ATOM 268 OD1 ASN A 18 -7.363 -3.029 -9.963 1.00 0.00 O ATOM 269 ND2 ASN A 18 -8.550 -2.229 -8.232 1.00 0.00 N ATOM 0 H ASN A 18 -5.155 -0.275 -6.646 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.195 -2.878 -6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.581 -0.550 -8.132 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.560 -1.366 -9.300 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.386 -2.743 -8.509 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.567 -1.637 -7.401 1.00 0.00 H new ATOM 276 N GLU A 19 -3.222 -2.426 -8.129 1.00 0.00 N ATOM 277 CA GLU A 19 -2.045 -3.117 -8.641 1.00 0.00 C ATOM 278 C GLU A 19 -1.580 -4.172 -7.646 1.00 0.00 C ATOM 279 O GLU A 19 -1.381 -5.333 -8.002 1.00 0.00 O ATOM 280 CB GLU A 19 -0.918 -2.118 -8.914 1.00 0.00 C ATOM 281 CG GLU A 19 -0.045 -2.489 -10.102 1.00 0.00 C ATOM 282 CD GLU A 19 -0.497 -1.828 -11.388 1.00 0.00 C ATOM 283 OE1 GLU A 19 -1.379 -2.392 -12.069 1.00 0.00 O ATOM 284 OE2 GLU A 19 0.033 -0.745 -11.717 1.00 0.00 O ATOM 0 H GLU A 19 -3.091 -1.426 -7.976 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.310 -3.609 -9.577 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.352 -1.133 -9.087 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.292 -2.039 -8.025 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.986 -2.203 -9.894 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.055 -3.571 -10.231 1.00 0.00 H new ATOM 291 N TYR A 20 -1.428 -3.762 -6.390 1.00 0.00 N ATOM 292 CA TYR A 20 -1.026 -4.679 -5.330 1.00 0.00 C ATOM 293 C TYR A 20 -1.946 -5.894 -5.313 1.00 0.00 C ATOM 294 O TYR A 20 -1.489 -7.036 -5.300 1.00 0.00 O ATOM 295 CB TYR A 20 -1.071 -3.966 -3.974 1.00 0.00 C ATOM 296 CG TYR A 20 -0.954 -4.893 -2.782 1.00 0.00 C ATOM 297 CD1 TYR A 20 -2.069 -5.551 -2.279 1.00 0.00 C ATOM 298 CD2 TYR A 20 0.270 -5.114 -2.166 1.00 0.00 C ATOM 299 CE1 TYR A 20 -1.969 -6.399 -1.193 1.00 0.00 C ATOM 300 CE2 TYR A 20 0.379 -5.958 -1.076 1.00 0.00 C ATOM 301 CZ TYR A 20 -0.742 -6.603 -0.598 1.00 0.00 C ATOM 302 OH TYR A 20 -0.637 -7.446 0.485 1.00 0.00 O ATOM 0 H TYR A 20 -1.577 -2.801 -6.082 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.006 -5.012 -5.520 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.263 -3.236 -3.933 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.006 -3.411 -3.898 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.031 -5.397 -2.745 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.152 -4.619 -2.544 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.847 -6.899 -0.812 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.337 -6.111 -0.602 1.00 0.00 H new ATOM 0 HH TYR A 20 0.218 -7.291 0.938 1.00 0.00 H new ATOM 312 N GLN A 21 -3.245 -5.629 -5.312 1.00 0.00 N ATOM 313 CA GLN A 21 -4.241 -6.690 -5.307 1.00 0.00 C ATOM 314 C GLN A 21 -4.022 -7.634 -6.483 1.00 0.00 C ATOM 315 O GLN A 21 -3.651 -8.794 -6.302 1.00 0.00 O ATOM 316 CB GLN A 21 -5.652 -6.090 -5.365 1.00 0.00 C ATOM 317 CG GLN A 21 -6.745 -7.105 -5.655 1.00 0.00 C ATOM 318 CD GLN A 21 -8.083 -6.457 -5.948 1.00 0.00 C ATOM 319 OE1 GLN A 21 -8.644 -6.627 -7.032 1.00 0.00 O ATOM 320 NE2 GLN A 21 -8.606 -5.711 -4.981 1.00 0.00 N ATOM 0 H GLN A 21 -3.634 -4.686 -5.315 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.137 -7.259 -4.383 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.867 -5.602 -4.415 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.675 -5.317 -6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.449 -7.718 -6.506 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.849 -7.774 -4.801 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.107 -5.597 -4.099 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.506 -5.252 -5.121 1.00 0.00 H new ATOM 329 N ARG A 22 -4.248 -7.122 -7.688 1.00 0.00 N ATOM 330 CA ARG A 22 -4.090 -7.911 -8.907 1.00 0.00 C ATOM 331 C ARG A 22 -2.815 -8.750 -8.870 1.00 0.00 C ATOM 332 O ARG A 22 -2.854 -9.962 -9.088 1.00 0.00 O ATOM 333 CB ARG A 22 -4.070 -6.992 -10.129 1.00 0.00 C ATOM 334 CG ARG A 22 -3.805 -7.723 -11.435 1.00 0.00 C ATOM 335 CD ARG A 22 -4.309 -6.931 -12.631 1.00 0.00 C ATOM 336 NE ARG A 22 -5.249 -7.702 -13.441 1.00 0.00 N ATOM 337 CZ ARG A 22 -5.737 -7.280 -14.602 1.00 0.00 C ATOM 338 NH1 ARG A 22 -5.374 -6.100 -15.086 1.00 0.00 N ATOM 339 NH2 ARG A 22 -6.588 -8.036 -15.281 1.00 0.00 N ATOM 0 H ARG A 22 -4.543 -6.159 -7.848 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.940 -8.590 -8.975 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.027 -6.474 -10.200 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.304 -6.229 -9.987 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.735 -7.903 -11.542 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.292 -8.698 -11.412 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.793 -6.019 -12.283 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.463 -6.628 -13.248 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.547 -8.614 -13.096 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.719 -5.515 -14.567 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.749 -5.777 -15.978 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.870 -8.944 -14.912 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.961 -7.709 -16.172 1.00 0.00 H new ATOM 353 N ARG A 23 -1.686 -8.105 -8.589 1.00 0.00 N ATOM 354 CA ARG A 23 -0.410 -8.807 -8.524 1.00 0.00 C ATOM 355 C ARG A 23 -0.472 -9.946 -7.514 1.00 0.00 C ATOM 356 O ARG A 23 -0.327 -11.114 -7.873 1.00 0.00 O ATOM 357 CB ARG A 23 0.723 -7.846 -8.159 1.00 0.00 C ATOM 358 CG ARG A 23 1.736 -7.665 -9.278 1.00 0.00 C ATOM 359 CD ARG A 23 1.344 -6.525 -10.202 1.00 0.00 C ATOM 360 NE ARG A 23 2.097 -6.550 -11.453 1.00 0.00 N ATOM 361 CZ ARG A 23 1.787 -7.326 -12.485 1.00 0.00 C ATOM 362 NH1 ARG A 23 0.742 -8.141 -12.416 1.00 0.00 N ATOM 363 NH2 ARG A 23 2.520 -7.290 -13.589 1.00 0.00 N ATOM 0 H ARG A 23 -1.630 -7.104 -8.404 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.208 -9.224 -9.511 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.299 -6.876 -7.900 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.234 -8.217 -7.271 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.720 -7.468 -8.852 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.816 -8.589 -9.851 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.278 -6.585 -10.420 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.513 -5.574 -9.696 1.00 0.00 H new ATOM 0 HE ARG A 23 2.907 -5.936 -11.539 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.175 -8.172 -11.569 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.506 -8.736 -13.210 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.324 -6.665 -13.647 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.280 -7.887 -14.380 1.00 0.00 H new ATOM 377 N VAL A 24 -0.706 -9.602 -6.251 1.00 0.00 N ATOM 378 CA VAL A 24 -0.800 -10.602 -5.193 1.00 0.00 C ATOM 379 C VAL A 24 -1.747 -11.730 -5.592 1.00 0.00 C ATOM 380 O VAL A 24 -1.611 -12.862 -5.128 1.00 0.00 O ATOM 381 CB VAL A 24 -1.289 -9.984 -3.870 1.00 0.00 C ATOM 382 CG1 VAL A 24 -1.352 -11.042 -2.779 1.00 0.00 C ATOM 383 CG2 VAL A 24 -0.392 -8.831 -3.449 1.00 0.00 C ATOM 0 H VAL A 24 -0.834 -8.640 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 24 0.204 -11.001 -5.046 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.294 -9.591 -4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.699 -10.588 -1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.042 -11.831 -3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.360 -11.466 -2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.756 -8.410 -2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.627 -9.194 -3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.402 -8.062 -4.221 1.00 0.00 H new ATOM 393 N ALA A 25 -2.705 -11.409 -6.456 1.00 0.00 N ATOM 394 CA ALA A 25 -3.675 -12.393 -6.923 1.00 0.00 C ATOM 395 C ALA A 25 -2.998 -13.467 -7.768 1.00 0.00 C ATOM 396 O ALA A 25 -3.064 -14.654 -7.450 1.00 0.00 O ATOM 397 CB ALA A 25 -4.779 -11.710 -7.716 1.00 0.00 C ATOM 0 H ALA A 25 -2.830 -10.475 -6.847 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.117 -12.877 -6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.496 -12.456 -8.058 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.287 -10.983 -7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.347 -11.200 -8.577 1.00 0.00 H new ATOM 403 N ASP A 26 -2.347 -13.043 -8.846 1.00 0.00 N ATOM 404 CA ASP A 26 -1.655 -13.971 -9.733 1.00 0.00 C ATOM 405 C ASP A 26 -0.525 -14.682 -8.994 1.00 0.00 C ATOM 406 O ASP A 26 -0.267 -15.863 -9.226 1.00 0.00 O ATOM 407 CB ASP A 26 -1.101 -13.231 -10.952 1.00 0.00 C ATOM 408 CG ASP A 26 -2.045 -13.284 -12.138 1.00 0.00 C ATOM 409 OD1 ASP A 26 -2.986 -12.465 -12.185 1.00 0.00 O ATOM 410 OD2 ASP A 26 -1.842 -14.145 -13.020 1.00 0.00 O ATOM 0 H ASP A 26 -2.284 -12.064 -9.126 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.373 -14.718 -10.071 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.912 -12.191 -10.687 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.143 -13.667 -11.234 1.00 0.00 H new ATOM 415 N GLY A 27 0.140 -13.958 -8.097 1.00 0.00 N ATOM 416 CA GLY A 27 1.225 -14.543 -7.330 1.00 0.00 C ATOM 417 C GLY A 27 2.530 -13.784 -7.480 1.00 0.00 C ATOM 418 O GLY A 27 3.606 -14.382 -7.465 1.00 0.00 O ATOM 0 H GLY A 27 -0.053 -12.978 -7.888 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.945 -14.570 -6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.372 -15.575 -7.647 1.00 0.00 H new ATOM 422 N GLU A 28 2.439 -12.464 -7.613 1.00 0.00 N ATOM 423 CA GLU A 28 3.624 -11.629 -7.758 1.00 0.00 C ATOM 424 C GLU A 28 4.047 -11.046 -6.415 1.00 0.00 C ATOM 425 O GLU A 28 3.228 -10.883 -5.511 1.00 0.00 O ATOM 426 CB GLU A 28 3.356 -10.494 -8.749 1.00 0.00 C ATOM 427 CG GLU A 28 3.011 -10.975 -10.149 1.00 0.00 C ATOM 428 CD GLU A 28 1.532 -11.258 -10.317 1.00 0.00 C ATOM 429 OE1 GLU A 28 1.042 -12.231 -9.707 1.00 0.00 O ATOM 430 OE2 GLU A 28 0.864 -10.506 -11.057 1.00 0.00 O ATOM 0 H GLU A 28 1.557 -11.951 -7.623 1.00 0.00 H new ATOM 0 HA GLU A 28 4.432 -12.255 -8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.537 -9.881 -8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.236 -9.853 -8.801 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.318 -10.222 -10.875 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.578 -11.880 -10.369 1.00 0.00 H new ATOM 437 N ASP A 29 5.330 -10.724 -6.295 1.00 0.00 N ATOM 438 CA ASP A 29 5.856 -10.138 -5.069 1.00 0.00 C ATOM 439 C ASP A 29 5.335 -8.712 -4.895 1.00 0.00 C ATOM 440 O ASP A 29 5.664 -7.827 -5.685 1.00 0.00 O ATOM 441 CB ASP A 29 7.385 -10.130 -5.101 1.00 0.00 C ATOM 442 CG ASP A 29 7.994 -10.735 -3.852 1.00 0.00 C ATOM 443 OD1 ASP A 29 7.876 -11.966 -3.669 1.00 0.00 O ATOM 444 OD2 ASP A 29 8.588 -9.980 -3.054 1.00 0.00 O ATOM 0 H ASP A 29 6.024 -10.859 -7.031 1.00 0.00 H new ATOM 0 HA ASP A 29 5.521 -10.742 -4.226 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.730 -10.683 -5.974 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.738 -9.105 -5.214 1.00 0.00 H new ATOM 449 N PRO A 30 4.493 -8.467 -3.874 1.00 0.00 N ATOM 450 CA PRO A 30 3.932 -7.137 -3.628 1.00 0.00 C ATOM 451 C PRO A 30 5.009 -6.066 -3.566 1.00 0.00 C ATOM 452 O PRO A 30 4.830 -4.962 -4.080 1.00 0.00 O ATOM 453 CB PRO A 30 3.238 -7.279 -2.275 1.00 0.00 C ATOM 454 CG PRO A 30 2.929 -8.733 -2.160 1.00 0.00 C ATOM 455 CD PRO A 30 4.037 -9.453 -2.878 1.00 0.00 C ATOM 0 HA PRO A 30 3.260 -6.824 -4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.883 -6.946 -1.462 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.331 -6.676 -2.230 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.878 -9.039 -1.115 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.962 -8.962 -2.607 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.839 -9.737 -2.197 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.681 -10.368 -3.352 1.00 0.00 H new ATOM 463 N LYS A 31 6.140 -6.404 -2.950 1.00 0.00 N ATOM 464 CA LYS A 31 7.260 -5.479 -2.848 1.00 0.00 C ATOM 465 C LYS A 31 7.574 -4.887 -4.216 1.00 0.00 C ATOM 466 O LYS A 31 7.870 -3.698 -4.341 1.00 0.00 O ATOM 467 CB LYS A 31 8.485 -6.192 -2.281 1.00 0.00 C ATOM 468 CG LYS A 31 8.889 -5.700 -0.899 1.00 0.00 C ATOM 469 CD LYS A 31 10.200 -4.933 -0.943 1.00 0.00 C ATOM 470 CE LYS A 31 10.041 -3.600 -1.655 1.00 0.00 C ATOM 471 NZ LYS A 31 11.087 -3.394 -2.696 1.00 0.00 N ATOM 0 H LYS A 31 6.302 -7.312 -2.515 1.00 0.00 H new ATOM 0 HA LYS A 31 6.988 -4.669 -2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.282 -7.262 -2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.323 -6.057 -2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.105 -5.059 -0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.986 -6.550 -0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.558 -4.764 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.956 -5.531 -1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.055 -3.551 -2.117 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.091 -2.791 -0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.942 -2.473 -3.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.027 -3.414 -2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.023 -4.151 -3.407 1.00 0.00 H new ATOM 485 N ASP A 32 7.454 -5.718 -5.247 1.00 0.00 N ATOM 486 CA ASP A 32 7.643 -5.263 -6.614 1.00 0.00 C ATOM 487 C ASP A 32 6.509 -4.318 -6.986 1.00 0.00 C ATOM 488 O ASP A 32 6.726 -3.277 -7.608 1.00 0.00 O ATOM 489 CB ASP A 32 7.679 -6.450 -7.577 1.00 0.00 C ATOM 490 CG ASP A 32 8.871 -6.399 -8.513 1.00 0.00 C ATOM 491 OD1 ASP A 32 8.802 -5.667 -9.523 1.00 0.00 O ATOM 492 OD2 ASP A 32 9.873 -7.090 -8.236 1.00 0.00 O ATOM 0 H ASP A 32 7.227 -6.708 -5.159 1.00 0.00 H new ATOM 0 HA ASP A 32 8.596 -4.739 -6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.709 -7.377 -7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.760 -6.467 -8.163 1.00 0.00 H new ATOM 497 N VAL A 33 5.300 -4.673 -6.558 1.00 0.00 N ATOM 498 CA VAL A 33 4.137 -3.833 -6.794 1.00 0.00 C ATOM 499 C VAL A 33 4.356 -2.464 -6.175 1.00 0.00 C ATOM 500 O VAL A 33 4.101 -1.442 -6.804 1.00 0.00 O ATOM 501 CB VAL A 33 2.851 -4.442 -6.204 1.00 0.00 C ATOM 502 CG1 VAL A 33 1.659 -3.544 -6.504 1.00 0.00 C ATOM 503 CG2 VAL A 33 2.625 -5.849 -6.737 1.00 0.00 C ATOM 0 H VAL A 33 5.104 -5.534 -6.048 1.00 0.00 H new ATOM 0 HA VAL A 33 4.013 -3.752 -7.874 1.00 0.00 H new ATOM 0 HB VAL A 33 2.963 -4.512 -5.122 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.756 -3.985 -6.082 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.824 -2.561 -6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.543 -3.442 -7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.711 -6.259 -6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.532 -5.816 -7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.470 -6.481 -6.464 1.00 0.00 H new ATOM 513 N LEU A 34 4.854 -2.454 -4.939 1.00 0.00 N ATOM 514 CA LEU A 34 5.134 -1.206 -4.237 1.00 0.00 C ATOM 515 C LEU A 34 5.951 -0.277 -5.121 1.00 0.00 C ATOM 516 O LEU A 34 5.715 0.930 -5.160 1.00 0.00 O ATOM 517 CB LEU A 34 5.886 -1.481 -2.934 1.00 0.00 C ATOM 518 CG LEU A 34 5.007 -1.869 -1.741 1.00 0.00 C ATOM 519 CD1 LEU A 34 4.329 -0.638 -1.159 1.00 0.00 C ATOM 520 CD2 LEU A 34 3.969 -2.903 -2.147 1.00 0.00 C ATOM 0 H LEU A 34 5.071 -3.296 -4.405 1.00 0.00 H new ATOM 0 HA LEU A 34 4.185 -0.725 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.605 -2.281 -3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.458 -0.592 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 34 5.646 -2.310 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.708 -0.931 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.087 0.071 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.706 -0.171 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.357 -3.163 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.334 -2.492 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.471 -3.797 -2.518 1.00 0.00 H new ATOM 532 N ASP A 35 6.897 -0.856 -5.853 1.00 0.00 N ATOM 533 CA ASP A 35 7.715 -0.082 -6.770 1.00 0.00 C ATOM 534 C ASP A 35 6.829 0.574 -7.821 1.00 0.00 C ATOM 535 O ASP A 35 7.093 1.690 -8.269 1.00 0.00 O ATOM 536 CB ASP A 35 8.759 -0.977 -7.445 1.00 0.00 C ATOM 537 CG ASP A 35 9.867 -0.178 -8.101 1.00 0.00 C ATOM 538 OD1 ASP A 35 9.569 0.594 -9.037 1.00 0.00 O ATOM 539 OD2 ASP A 35 11.034 -0.324 -7.681 1.00 0.00 O ATOM 0 H ASP A 35 7.113 -1.853 -5.827 1.00 0.00 H new ATOM 0 HA ASP A 35 8.237 0.692 -6.207 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.190 -1.650 -6.704 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.270 -1.599 -8.195 1.00 0.00 H new ATOM 544 N ASP A 36 5.758 -0.125 -8.190 1.00 0.00 N ATOM 545 CA ASP A 36 4.803 0.382 -9.170 1.00 0.00 C ATOM 546 C ASP A 36 3.774 1.288 -8.500 1.00 0.00 C ATOM 547 O ASP A 36 3.418 2.340 -9.030 1.00 0.00 O ATOM 548 CB ASP A 36 4.098 -0.781 -9.871 1.00 0.00 C ATOM 549 CG ASP A 36 4.506 -0.915 -11.324 1.00 0.00 C ATOM 550 OD1 ASP A 36 3.879 -0.256 -12.181 1.00 0.00 O ATOM 551 OD2 ASP A 36 5.454 -1.677 -11.607 1.00 0.00 O ATOM 0 H ASP A 36 5.530 -1.049 -7.822 1.00 0.00 H new ATOM 0 HA ASP A 36 5.349 0.966 -9.911 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.325 -1.709 -9.346 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.019 -0.637 -9.812 1.00 0.00 H new ATOM 556 N LEU A 37 3.306 0.872 -7.323 1.00 0.00 N ATOM 557 CA LEU A 37 2.328 1.645 -6.561 1.00 0.00 C ATOM 558 C LEU A 37 2.745 3.109 -6.481 1.00 0.00 C ATOM 559 O LEU A 37 1.935 4.012 -6.690 1.00 0.00 O ATOM 560 CB LEU A 37 2.192 1.073 -5.148 1.00 0.00 C ATOM 561 CG LEU A 37 1.216 -0.101 -5.008 1.00 0.00 C ATOM 562 CD1 LEU A 37 1.824 -1.204 -4.158 1.00 0.00 C ATOM 563 CD2 LEU A 37 -0.099 0.367 -4.403 1.00 0.00 C ATOM 0 H LEU A 37 3.590 0.000 -6.876 1.00 0.00 H new ATOM 0 HA LEU A 37 1.367 1.580 -7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.176 0.749 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.872 1.872 -4.479 1.00 0.00 H new ATOM 0 HG LEU A 37 1.018 -0.500 -6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.116 -2.028 -4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.741 -1.561 -4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.052 -0.815 -3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.779 -0.480 -4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.085 0.793 -3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.547 1.124 -5.047 1.00 0.00 H new ATOM 575 N GLY A 38 4.019 3.329 -6.182 1.00 0.00 N ATOM 576 CA GLY A 38 4.540 4.676 -6.088 1.00 0.00 C ATOM 577 C GLY A 38 4.143 5.369 -4.800 1.00 0.00 C ATOM 578 O GLY A 38 3.489 6.411 -4.823 1.00 0.00 O ATOM 0 H GLY A 38 4.703 2.594 -6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.627 4.646 -6.159 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.181 5.260 -6.935 1.00 0.00 H new ATOM 582 N LEU A 39 4.554 4.795 -3.675 1.00 0.00 N ATOM 583 CA LEU A 39 4.239 5.360 -2.369 1.00 0.00 C ATOM 584 C LEU A 39 5.460 6.046 -1.763 1.00 0.00 C ATOM 585 O LEU A 39 5.332 6.950 -0.938 1.00 0.00 O ATOM 586 CB LEU A 39 3.730 4.262 -1.437 1.00 0.00 C ATOM 587 CG LEU A 39 2.810 3.236 -2.097 1.00 0.00 C ATOM 588 CD1 LEU A 39 3.622 2.122 -2.740 1.00 0.00 C ATOM 589 CD2 LEU A 39 1.834 2.665 -1.084 1.00 0.00 C ATOM 0 H LEU A 39 5.106 3.938 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 39 3.459 6.110 -2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.587 3.740 -1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.197 4.727 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 39 2.241 3.740 -2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.948 1.402 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.281 2.544 -3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.219 1.621 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.187 1.936 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.387 2.178 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.226 3.470 -0.671 1.00 0.00 H new ATOM 601 N LYS A 40 6.646 5.615 -2.186 1.00 0.00 N ATOM 602 CA LYS A 40 7.892 6.196 -1.700 1.00 0.00 C ATOM 603 C LYS A 40 8.083 5.934 -0.211 1.00 0.00 C ATOM 604 O LYS A 40 7.113 5.813 0.539 1.00 0.00 O ATOM 605 CB LYS A 40 7.915 7.701 -1.973 1.00 0.00 C ATOM 606 CG LYS A 40 8.889 8.104 -3.067 1.00 0.00 C ATOM 607 CD LYS A 40 8.261 7.978 -4.445 1.00 0.00 C ATOM 608 CE LYS A 40 9.318 7.879 -5.533 1.00 0.00 C ATOM 609 NZ LYS A 40 8.744 8.105 -6.886 1.00 0.00 N ATOM 0 H LYS A 40 6.769 4.864 -2.865 1.00 0.00 H new ATOM 0 HA LYS A 40 8.714 5.720 -2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.913 8.027 -2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.177 8.225 -1.054 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.213 9.132 -2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.779 7.477 -3.013 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.622 7.095 -4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.622 8.840 -4.635 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.103 8.612 -5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.785 6.895 -5.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.497 8.029 -7.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.013 7.390 -7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.320 9.054 -6.929 1.00 0.00 H new ATOM 623 N ARG A 41 9.341 5.855 0.212 1.00 0.00 N ATOM 624 CA ARG A 41 9.666 5.610 1.612 1.00 0.00 C ATOM 625 C ARG A 41 9.093 4.276 2.076 1.00 0.00 C ATOM 626 O ARG A 41 8.048 3.837 1.598 1.00 0.00 O ATOM 627 CB ARG A 41 9.125 6.743 2.487 1.00 0.00 C ATOM 628 CG ARG A 41 9.746 8.097 2.180 1.00 0.00 C ATOM 629 CD ARG A 41 10.811 8.465 3.200 1.00 0.00 C ATOM 630 NE ARG A 41 12.137 8.005 2.798 1.00 0.00 N ATOM 631 CZ ARG A 41 12.832 8.540 1.800 1.00 0.00 C ATOM 632 NH1 ARG A 41 12.328 9.552 1.107 1.00 0.00 N ATOM 633 NH2 ARG A 41 14.031 8.065 1.494 1.00 0.00 N ATOM 0 H ARG A 41 10.153 5.957 -0.397 1.00 0.00 H new ATOM 0 HA ARG A 41 10.751 5.572 1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.045 6.809 2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.304 6.499 3.534 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.186 8.079 1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.969 8.861 2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.827 9.547 3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.554 8.030 4.166 1.00 0.00 H new ATOM 0 HE ARG A 41 12.553 7.229 3.312 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.406 9.921 1.340 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.862 9.962 0.341 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.422 7.287 2.025 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.563 8.477 0.727 1.00 0.00 H new ATOM 647 N TYR A 42 9.786 3.632 3.010 1.00 0.00 N ATOM 648 CA TYR A 42 9.338 2.351 3.541 1.00 0.00 C ATOM 649 C TYR A 42 8.586 2.537 4.851 1.00 0.00 C ATOM 650 O TYR A 42 8.499 1.620 5.668 1.00 0.00 O ATOM 651 CB TYR A 42 10.531 1.412 3.747 1.00 0.00 C ATOM 652 CG TYR A 42 10.205 -0.050 3.537 1.00 0.00 C ATOM 653 CD1 TYR A 42 8.928 -0.540 3.780 1.00 0.00 C ATOM 654 CD2 TYR A 42 11.178 -0.943 3.104 1.00 0.00 C ATOM 655 CE1 TYR A 42 8.627 -1.874 3.588 1.00 0.00 C ATOM 656 CE2 TYR A 42 10.885 -2.280 2.912 1.00 0.00 C ATOM 657 CZ TYR A 42 9.609 -2.741 3.156 1.00 0.00 C ATOM 658 OH TYR A 42 9.313 -4.070 2.967 1.00 0.00 O ATOM 0 H TYR A 42 10.658 3.976 3.413 1.00 0.00 H new ATOM 0 HA TYR A 42 8.658 1.905 2.816 1.00 0.00 H new ATOM 0 HB2 TYR A 42 11.328 1.698 3.061 1.00 0.00 H new ATOM 0 HB3 TYR A 42 10.916 1.547 4.758 1.00 0.00 H new ATOM 0 HD1 TYR A 42 8.158 0.134 4.125 1.00 0.00 H new ATOM 0 HD2 TYR A 42 12.180 -0.586 2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 42 7.627 -2.237 3.775 1.00 0.00 H new ATOM 0 HE2 TYR A 42 11.652 -2.960 2.572 1.00 0.00 H new ATOM 0 HH TYR A 42 10.114 -4.543 2.660 1.00 0.00 H new ATOM 668 N CYS A 43 8.034 3.726 5.039 1.00 0.00 N ATOM 669 CA CYS A 43 7.234 4.015 6.215 1.00 0.00 C ATOM 670 C CYS A 43 5.787 3.610 5.959 1.00 0.00 C ATOM 671 O CYS A 43 5.057 3.237 6.877 1.00 0.00 O ATOM 672 CB CYS A 43 7.322 5.501 6.560 1.00 0.00 C ATOM 673 SG CYS A 43 6.960 6.609 5.177 1.00 0.00 S ATOM 0 H CYS A 43 8.127 4.507 4.389 1.00 0.00 H new ATOM 0 HA CYS A 43 7.617 3.444 7.061 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.628 5.715 7.373 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.324 5.717 6.931 1.00 0.00 H new ATOM 678 N CYS A 44 5.397 3.664 4.688 1.00 0.00 N ATOM 679 CA CYS A 44 4.054 3.284 4.269 1.00 0.00 C ATOM 680 C CYS A 44 3.980 1.790 3.973 1.00 0.00 C ATOM 681 O CYS A 44 3.185 1.063 4.568 1.00 0.00 O ATOM 682 CB CYS A 44 3.647 4.063 3.011 1.00 0.00 C ATOM 683 SG CYS A 44 4.414 5.692 2.827 1.00 0.00 S ATOM 0 H CYS A 44 6.000 3.971 3.925 1.00 0.00 H new ATOM 0 HA CYS A 44 3.371 3.521 5.085 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.895 3.462 2.136 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.564 4.188 3.016 1.00 0.00 H new ATOM 688 N ARG A 45 4.802 1.346 3.022 1.00 0.00 N ATOM 689 CA ARG A 45 4.816 -0.052 2.593 1.00 0.00 C ATOM 690 C ARG A 45 4.747 -1.015 3.774 1.00 0.00 C ATOM 691 O ARG A 45 3.892 -1.897 3.806 1.00 0.00 O ATOM 692 CB ARG A 45 6.071 -0.346 1.768 1.00 0.00 C ATOM 693 CG ARG A 45 6.407 0.731 0.749 1.00 0.00 C ATOM 694 CD ARG A 45 7.462 0.252 -0.236 1.00 0.00 C ATOM 695 NE ARG A 45 7.514 1.087 -1.432 1.00 0.00 N ATOM 696 CZ ARG A 45 8.543 1.102 -2.273 1.00 0.00 C ATOM 697 NH1 ARG A 45 9.598 0.331 -2.049 1.00 0.00 N ATOM 698 NH2 ARG A 45 8.518 1.890 -3.339 1.00 0.00 N ATOM 0 H ARG A 45 5.471 1.939 2.531 1.00 0.00 H new ATOM 0 HA ARG A 45 3.928 -0.206 1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.917 -0.469 2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.938 -1.295 1.248 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.505 1.017 0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.766 1.622 1.264 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.438 0.253 0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.249 -0.778 -0.522 1.00 0.00 H new ATOM 0 HE ARG A 45 6.718 1.692 -1.633 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.621 -0.276 -1.229 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.386 0.345 -2.696 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.709 2.485 -3.514 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.308 1.901 -3.984 1.00 0.00 H new ATOM 712 N ARG A 46 5.670 -0.857 4.728 1.00 0.00 N ATOM 713 CA ARG A 46 5.747 -1.734 5.905 1.00 0.00 C ATOM 714 C ARG A 46 4.365 -2.153 6.395 1.00 0.00 C ATOM 715 O ARG A 46 4.133 -3.320 6.711 1.00 0.00 O ATOM 716 CB ARG A 46 6.490 -1.029 7.039 1.00 0.00 C ATOM 717 CG ARG A 46 5.752 0.182 7.581 1.00 0.00 C ATOM 718 CD ARG A 46 6.633 1.007 8.505 1.00 0.00 C ATOM 719 NE ARG A 46 5.978 1.292 9.778 1.00 0.00 N ATOM 720 CZ ARG A 46 6.628 1.687 10.868 1.00 0.00 C ATOM 721 NH1 ARG A 46 7.945 1.843 10.837 1.00 0.00 N ATOM 722 NH2 ARG A 46 5.963 1.927 11.989 1.00 0.00 N ATOM 0 H ARG A 46 6.380 -0.125 4.709 1.00 0.00 H new ATOM 0 HA ARG A 46 6.288 -2.631 5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.656 -1.737 7.851 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.472 -0.717 6.682 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.412 0.803 6.752 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.863 -0.144 8.121 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.565 0.473 8.689 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.894 1.945 8.014 1.00 0.00 H new ATOM 0 HE ARG A 46 4.966 1.182 9.834 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.460 1.660 9.976 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.442 2.146 11.674 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.950 1.809 12.017 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.464 2.230 12.824 1.00 0.00 H new ATOM 736 N MET A 47 3.451 -1.195 6.443 1.00 0.00 N ATOM 737 CA MET A 47 2.094 -1.463 6.868 1.00 0.00 C ATOM 738 C MET A 47 1.284 -2.049 5.727 1.00 0.00 C ATOM 739 O MET A 47 0.454 -2.936 5.924 1.00 0.00 O ATOM 740 CB MET A 47 1.429 -0.169 7.322 1.00 0.00 C ATOM 741 CG MET A 47 1.553 0.099 8.813 1.00 0.00 C ATOM 742 SD MET A 47 1.864 1.837 9.184 1.00 0.00 S ATOM 743 CE MET A 47 0.894 2.640 7.911 1.00 0.00 C ATOM 0 H MET A 47 3.630 -0.223 6.191 1.00 0.00 H new ATOM 0 HA MET A 47 2.130 -2.176 7.691 1.00 0.00 H new ATOM 0 HB2 MET A 47 1.869 0.665 6.775 1.00 0.00 H new ATOM 0 HB3 MET A 47 0.373 -0.202 7.056 1.00 0.00 H new ATOM 0 HG2 MET A 47 0.637 -0.217 9.312 1.00 0.00 H new ATOM 0 HG3 MET A 47 2.363 -0.506 9.221 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.661 3.659 8.220 1.00 0.00 H new ATOM 0 HE2 MET A 47 1.462 2.664 6.981 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.032 2.087 7.756 1.00 0.00 H new ATOM 753 N LEU A 48 1.511 -1.515 4.537 1.00 0.00 N ATOM 754 CA LEU A 48 0.756 -1.922 3.368 1.00 0.00 C ATOM 755 C LEU A 48 1.117 -3.336 2.914 1.00 0.00 C ATOM 756 O LEU A 48 0.307 -4.256 3.030 1.00 0.00 O ATOM 757 CB LEU A 48 0.980 -0.936 2.221 1.00 0.00 C ATOM 758 CG LEU A 48 0.839 0.538 2.602 1.00 0.00 C ATOM 759 CD1 LEU A 48 1.636 1.415 1.651 1.00 0.00 C ATOM 760 CD2 LEU A 48 -0.624 0.950 2.609 1.00 0.00 C ATOM 0 H LEU A 48 2.214 -0.798 4.358 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.297 -1.922 3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.978 -1.097 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.270 -1.160 1.425 1.00 0.00 H new ATOM 0 HG LEU A 48 1.238 0.672 3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.523 2.460 1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.689 1.138 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.268 1.277 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.704 2.002 2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.049 0.799 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.169 0.344 3.333 1.00 0.00 H new ATOM 772 N ILE A 49 2.328 -3.501 2.376 1.00 0.00 N ATOM 773 CA ILE A 49 2.770 -4.800 1.853 1.00 0.00 C ATOM 774 C ILE A 49 2.339 -5.957 2.750 1.00 0.00 C ATOM 775 O ILE A 49 2.113 -7.068 2.272 1.00 0.00 O ATOM 776 CB ILE A 49 4.299 -4.862 1.663 1.00 0.00 C ATOM 777 CG1 ILE A 49 5.018 -4.077 2.758 1.00 0.00 C ATOM 778 CG2 ILE A 49 4.683 -4.330 0.291 1.00 0.00 C ATOM 779 CD1 ILE A 49 6.317 -4.712 3.204 1.00 0.00 C ATOM 0 H ILE A 49 3.019 -2.756 2.290 1.00 0.00 H new ATOM 0 HA ILE A 49 2.287 -4.902 0.881 1.00 0.00 H new ATOM 0 HB ILE A 49 4.608 -5.905 1.734 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.221 -3.069 2.397 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.356 -3.980 3.619 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.765 -4.380 0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.204 -4.933 -0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.355 -3.295 0.197 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.772 -4.100 3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.119 -5.710 3.596 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.997 -4.784 2.355 1.00 0.00 H new ATOM 791 N SER A 50 2.213 -5.693 4.044 1.00 0.00 N ATOM 792 CA SER A 50 1.803 -6.723 4.989 1.00 0.00 C ATOM 793 C SER A 50 0.302 -6.979 4.901 1.00 0.00 C ATOM 794 O SER A 50 -0.136 -7.965 4.310 1.00 0.00 O ATOM 795 CB SER A 50 2.171 -6.315 6.416 1.00 0.00 C ATOM 796 OG SER A 50 3.161 -7.177 6.953 1.00 0.00 O ATOM 0 H SER A 50 2.388 -4.779 4.462 1.00 0.00 H new ATOM 0 HA SER A 50 2.330 -7.642 4.731 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.536 -5.288 6.421 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.282 -6.340 7.046 1.00 0.00 H new ATOM 0 HG SER A 50 3.381 -6.895 7.865 1.00 0.00 H new ATOM 802 N HIS A 51 -0.480 -6.091 5.507 1.00 0.00 N ATOM 803 CA HIS A 51 -1.931 -6.233 5.511 1.00 0.00 C ATOM 804 C HIS A 51 -2.575 -5.561 4.297 1.00 0.00 C ATOM 805 O HIS A 51 -3.178 -6.231 3.459 1.00 0.00 O ATOM 806 CB HIS A 51 -2.522 -5.671 6.807 1.00 0.00 C ATOM 807 CG HIS A 51 -1.893 -4.391 7.266 1.00 0.00 C ATOM 808 ND1 HIS A 51 -2.405 -3.168 6.899 1.00 0.00 N ATOM 809 CD2 HIS A 51 -0.817 -4.197 8.068 1.00 0.00 C ATOM 810 CE1 HIS A 51 -1.632 -2.264 7.474 1.00 0.00 C ATOM 811 NE2 HIS A 51 -0.657 -2.842 8.191 1.00 0.00 N ATOM 0 H HIS A 51 -0.134 -5.268 6.000 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.153 -7.299 5.452 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.590 -5.507 6.665 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.416 -6.417 7.595 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -0.205 -4.962 8.522 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -1.768 -1.197 7.379 1.00 0.00 H new ATOM 0 HE2 HIS A 51 0.067 -2.363 8.727 1.00 0.00 H new ATOM 819 N VAL A 52 -2.464 -4.230 4.226 1.00 0.00 N ATOM 820 CA VAL A 52 -3.063 -3.437 3.144 1.00 0.00 C ATOM 821 C VAL A 52 -4.406 -4.010 2.688 1.00 0.00 C ATOM 822 O VAL A 52 -4.537 -4.505 1.569 1.00 0.00 O ATOM 823 CB VAL A 52 -2.121 -3.294 1.928 1.00 0.00 C ATOM 824 CG1 VAL A 52 -1.826 -4.640 1.285 1.00 0.00 C ATOM 825 CG2 VAL A 52 -2.712 -2.327 0.914 1.00 0.00 C ATOM 0 H VAL A 52 -1.958 -3.672 4.914 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.231 -2.446 3.565 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.173 -2.891 2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.160 -4.498 0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.348 -5.295 2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.758 -5.093 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.038 -2.236 0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.678 -2.701 0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.845 -1.350 1.378 1.00 0.00 H new ATOM 835 N GLU A 53 -5.404 -3.929 3.564 1.00 0.00 N ATOM 836 CA GLU A 53 -6.737 -4.441 3.261 1.00 0.00 C ATOM 837 C GLU A 53 -7.200 -3.997 1.876 1.00 0.00 C ATOM 838 O GLU A 53 -7.154 -2.812 1.546 1.00 0.00 O ATOM 839 CB GLU A 53 -7.737 -3.968 4.318 1.00 0.00 C ATOM 840 CG GLU A 53 -8.784 -5.008 4.673 1.00 0.00 C ATOM 841 CD GLU A 53 -9.999 -4.406 5.351 1.00 0.00 C ATOM 842 OE1 GLU A 53 -10.896 -3.916 4.633 1.00 0.00 O ATOM 843 OE2 GLU A 53 -10.053 -4.426 6.598 1.00 0.00 O ATOM 0 H GLU A 53 -5.314 -3.513 4.491 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.687 -5.530 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.194 -3.689 5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.237 -3.070 3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.098 -5.526 3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.340 -5.756 5.330 1.00 0.00 H new ATOM 850 N THR A 54 -7.645 -4.956 1.070 1.00 0.00 N ATOM 851 CA THR A 54 -8.117 -4.664 -0.279 1.00 0.00 C ATOM 852 C THR A 54 -9.491 -5.279 -0.528 1.00 0.00 C ATOM 853 O THR A 54 -9.869 -5.528 -1.672 1.00 0.00 O ATOM 854 CB THR A 54 -7.133 -5.186 -1.343 1.00 0.00 C ATOM 855 OG1 THR A 54 -7.035 -6.613 -1.263 1.00 0.00 O ATOM 856 CG2 THR A 54 -5.757 -4.566 -1.159 1.00 0.00 C ATOM 0 H THR A 54 -7.689 -5.942 1.328 1.00 0.00 H new ATOM 0 HA THR A 54 -8.188 -3.579 -0.361 1.00 0.00 H new ATOM 0 HB THR A 54 -7.512 -4.904 -2.325 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.409 -6.937 -1.944 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.080 -4.950 -1.922 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.831 -3.482 -1.252 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.372 -4.820 -0.171 1.00 0.00 H new ATOM 864 N TRP A 55 -10.233 -5.517 0.548 1.00 0.00 N ATOM 865 CA TRP A 55 -11.565 -6.101 0.441 1.00 0.00 C ATOM 866 C TRP A 55 -12.307 -6.015 1.770 1.00 0.00 C ATOM 867 O TRP A 55 -13.548 -6.150 1.764 1.00 0.00 O ATOM 868 CB TRP A 55 -11.469 -7.560 -0.007 1.00 0.00 C ATOM 869 CG TRP A 55 -10.671 -8.416 0.927 1.00 0.00 C ATOM 870 CD1 TRP A 55 -9.318 -8.595 0.920 1.00 0.00 C ATOM 871 CD2 TRP A 55 -11.176 -9.210 2.007 1.00 0.00 C ATOM 872 NE1 TRP A 55 -8.950 -9.452 1.928 1.00 0.00 N ATOM 873 CE2 TRP A 55 -10.074 -9.843 2.611 1.00 0.00 C ATOM 874 CE3 TRP A 55 -12.454 -9.448 2.522 1.00 0.00 C ATOM 875 CZ2 TRP A 55 -10.210 -10.698 3.702 1.00 0.00 C ATOM 876 CZ3 TRP A 55 -12.588 -10.296 3.606 1.00 0.00 C ATOM 877 CH2 TRP A 55 -11.472 -10.911 4.186 1.00 0.00 C ATOM 878 OXT TRP A 55 -11.639 -5.817 2.808 1.00 0.00 O ATOM 0 H TRP A 55 -9.935 -5.315 1.503 1.00 0.00 H new ATOM 0 HA TRP A 55 -12.124 -5.534 -0.303 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -12.474 -7.972 -0.097 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -11.019 -7.599 -0.999 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -8.636 -8.130 0.223 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.997 -9.749 2.135 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -13.321 -8.978 2.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -9.351 -11.175 4.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -13.570 -10.487 4.012 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -11.610 -11.567 5.033 1.00 0.00 H new TER 889 TRP A 55 HETATM 890 ZN ZN A 56 4.719 7.018 4.551 1.00 0.00 ZN