USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=18 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 4 THR OG1 : rot 180:sc= 0.758 USER MOD Set 1.2: A 39 GLN : amide:sc= 0.0814 K(o=0.84,f=-0.39!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0514 USER MOD Single : A 8 ASN : amide:sc= -0.0997 X(o=-0.1,f=-0.19) USER MOD Single : A 9 THR OG1 : rot -90:sc= 0.959 USER MOD Single : A 11 SER OG : rot 167:sc= -1.45! USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -109:sc= 1.55 (180deg=-0.426) USER MOD Single : A 18 TYR OH : rot -146:sc= 0.427 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0251 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 81:sc= 0.115 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 88:sc= 0.068 USER MOD Single : A 38 SER OG : rot 91:sc= 0.266 USER MOD Single : A 43 SER OG : rot 84:sc= 1.35 USER MOD Single : A 45 LYS NZ :NH3+ 144:sc= 1.24 (180deg=-0.633) USER MOD Single : A 48 LYS NZ :NH3+ -152:sc= 1.29 (180deg=1.07) USER MOD Single : A 52 THR OG1 : rot -87:sc= 1.34 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 56 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.065) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0858 USER MOD Single : A 62 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.1!) USER MOD Single : A 65 ASN : amide:sc= -0.576 K(o=-0.58,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 14 N ALA A 2 1.829 14.013 -6.594 1.00 0.00 N ATOM 15 CA ALA A 2 2.335 12.757 -6.062 1.00 0.00 C ATOM 16 C ALA A 2 3.170 13.003 -4.812 1.00 0.00 C ATOM 17 O ALA A 2 3.845 14.028 -4.703 1.00 0.00 O ATOM 18 CB ALA A 2 3.155 12.030 -7.116 1.00 0.00 C ATOM 0 HA ALA A 2 1.486 12.130 -5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.527 11.092 -6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 2 2.530 11.822 -7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.997 12.654 -7.416 1.00 0.00 H new ATOM 24 N THR A 3 3.109 12.077 -3.871 1.00 0.00 N ATOM 25 CA THR A 3 3.850 12.201 -2.631 1.00 0.00 C ATOM 26 C THR A 3 5.235 11.564 -2.744 1.00 0.00 C ATOM 27 O THR A 3 5.381 10.434 -3.218 1.00 0.00 O ATOM 28 CB THR A 3 3.082 11.544 -1.471 1.00 0.00 C ATOM 29 OG1 THR A 3 1.868 10.956 -1.965 1.00 0.00 O ATOM 30 CG2 THR A 3 2.759 12.561 -0.385 1.00 0.00 C ATOM 0 H THR A 3 2.550 11.227 -3.944 1.00 0.00 H new ATOM 0 HA THR A 3 3.969 13.266 -2.430 1.00 0.00 H new ATOM 0 HB THR A 3 3.713 10.769 -1.036 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.382 10.537 -1.224 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.216 12.071 0.423 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.685 12.984 0.004 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.144 13.358 -0.804 1.00 0.00 H new ATOM 38 N THR A 4 6.244 12.301 -2.311 1.00 0.00 N ATOM 39 CA THR A 4 7.611 11.807 -2.287 1.00 0.00 C ATOM 40 C THR A 4 7.825 10.910 -1.071 1.00 0.00 C ATOM 41 O THR A 4 7.914 11.396 0.061 1.00 0.00 O ATOM 42 CB THR A 4 8.611 12.982 -2.240 1.00 0.00 C ATOM 43 OG1 THR A 4 8.196 14.017 -3.142 1.00 0.00 O ATOM 44 CG2 THR A 4 10.017 12.528 -2.599 1.00 0.00 C ATOM 0 H THR A 4 6.140 13.256 -1.967 1.00 0.00 H new ATOM 0 HA THR A 4 7.782 11.231 -3.197 1.00 0.00 H new ATOM 0 HB THR A 4 8.625 13.367 -1.220 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.835 14.759 -3.105 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.696 13.379 -2.556 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.345 11.766 -1.892 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.019 12.112 -3.607 1.00 0.00 H new ATOM 52 N ILE A 5 7.881 9.605 -1.293 1.00 0.00 N ATOM 53 CA ILE A 5 8.051 8.669 -0.193 1.00 0.00 C ATOM 54 C ILE A 5 9.443 8.047 -0.218 1.00 0.00 C ATOM 55 O ILE A 5 10.084 7.967 -1.271 1.00 0.00 O ATOM 56 CB ILE A 5 6.959 7.562 -0.187 1.00 0.00 C ATOM 57 CG1 ILE A 5 7.465 6.266 -0.816 1.00 0.00 C ATOM 58 CG2 ILE A 5 5.700 8.029 -0.902 1.00 0.00 C ATOM 59 CD1 ILE A 5 6.795 5.036 -0.252 1.00 0.00 C ATOM 0 H ILE A 5 7.812 9.174 -2.215 1.00 0.00 H new ATOM 0 HA ILE A 5 7.939 9.240 0.729 1.00 0.00 H new ATOM 0 HB ILE A 5 6.716 7.362 0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.299 6.302 -1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.541 6.190 -0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.954 7.234 -0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.303 8.912 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.939 8.276 -1.936 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.197 4.147 -0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.983 4.979 0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.721 5.093 -0.430 1.00 0.00 H new ATOM 71 N GLY A 6 9.905 7.621 0.948 1.00 0.00 N ATOM 72 CA GLY A 6 11.217 7.027 1.066 1.00 0.00 C ATOM 73 C GLY A 6 11.348 6.185 2.319 1.00 0.00 C ATOM 74 O GLY A 6 10.370 5.577 2.762 1.00 0.00 O ATOM 0 H GLY A 6 9.386 7.678 1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 6 11.415 6.408 0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 6 11.971 7.814 1.077 1.00 0.00 H new ATOM 78 N PRO A 7 12.544 6.141 2.925 1.00 0.00 N ATOM 79 CA PRO A 7 12.814 5.326 4.106 1.00 0.00 C ATOM 80 C PRO A 7 12.519 6.049 5.420 1.00 0.00 C ATOM 81 O PRO A 7 13.067 5.697 6.465 1.00 0.00 O ATOM 82 CB PRO A 7 14.308 5.054 3.969 1.00 0.00 C ATOM 83 CG PRO A 7 14.856 6.294 3.344 1.00 0.00 C ATOM 84 CD PRO A 7 13.751 6.876 2.493 1.00 0.00 C ATOM 0 HA PRO A 7 12.186 4.436 4.147 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.767 4.862 4.939 1.00 0.00 H new ATOM 0 HB3 PRO A 7 14.497 4.179 3.347 1.00 0.00 H new ATOM 0 HG2 PRO A 7 15.172 7.005 4.107 1.00 0.00 H new ATOM 0 HG3 PRO A 7 15.733 6.067 2.738 1.00 0.00 H new ATOM 0 HD2 PRO A 7 13.645 7.949 2.655 1.00 0.00 H new ATOM 0 HD3 PRO A 7 13.947 6.732 1.431 1.00 0.00 H new ATOM 92 N ASN A 8 11.662 7.062 5.369 1.00 0.00 N ATOM 93 CA ASN A 8 11.301 7.800 6.578 1.00 0.00 C ATOM 94 C ASN A 8 9.882 8.368 6.489 1.00 0.00 C ATOM 95 O ASN A 8 9.515 9.280 7.235 1.00 0.00 O ATOM 96 CB ASN A 8 12.329 8.910 6.860 1.00 0.00 C ATOM 97 CG ASN A 8 12.029 10.218 6.147 1.00 0.00 C ATOM 98 OD1 ASN A 8 11.788 10.243 4.941 1.00 0.00 O ATOM 99 ND2 ASN A 8 12.047 11.314 6.895 1.00 0.00 N ATOM 0 H ASN A 8 11.208 7.390 4.516 1.00 0.00 H new ATOM 0 HA ASN A 8 11.315 7.101 7.414 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.367 9.093 7.934 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.317 8.562 6.560 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.856 12.223 6.473 1.00 0.00 H new ATOM 0 HD22 ASN A 8 12.252 11.248 7.892 1.00 0.00 H new ATOM 106 N THR A 9 9.075 7.806 5.599 1.00 0.00 N ATOM 107 CA THR A 9 7.701 8.258 5.427 1.00 0.00 C ATOM 108 C THR A 9 6.741 7.441 6.289 1.00 0.00 C ATOM 109 O THR A 9 5.701 7.939 6.717 1.00 0.00 O ATOM 110 CB THR A 9 7.276 8.167 3.952 1.00 0.00 C ATOM 111 OG1 THR A 9 8.422 8.360 3.117 1.00 0.00 O ATOM 112 CG2 THR A 9 6.226 9.215 3.621 1.00 0.00 C ATOM 0 H THR A 9 9.347 7.038 4.986 1.00 0.00 H new ATOM 0 HA THR A 9 7.657 9.299 5.746 1.00 0.00 H new ATOM 0 HB THR A 9 6.845 7.181 3.776 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.523 9.314 2.915 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.943 9.128 2.572 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.347 9.060 4.247 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.633 10.209 3.806 1.00 0.00 H new ATOM 120 N CYS A 10 7.099 6.189 6.538 1.00 0.00 N ATOM 121 CA CYS A 10 6.304 5.313 7.388 1.00 0.00 C ATOM 122 C CYS A 10 7.223 4.516 8.305 1.00 0.00 C ATOM 123 O CYS A 10 7.087 3.301 8.453 1.00 0.00 O ATOM 124 CB CYS A 10 5.446 4.368 6.539 1.00 0.00 C ATOM 125 SG CYS A 10 3.654 4.530 6.827 1.00 0.00 S ATOM 0 H CYS A 10 7.941 5.755 6.160 1.00 0.00 H new ATOM 0 HA CYS A 10 5.636 5.923 7.995 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.652 4.555 5.485 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.745 3.340 6.744 1.00 0.00 H new ATOM 130 N SER A 11 8.166 5.216 8.918 1.00 0.00 N ATOM 131 CA SER A 11 9.170 4.593 9.765 1.00 0.00 C ATOM 132 C SER A 11 8.617 4.274 11.156 1.00 0.00 C ATOM 133 O SER A 11 9.096 4.795 12.162 1.00 0.00 O ATOM 134 CB SER A 11 10.370 5.528 9.878 1.00 0.00 C ATOM 135 OG SER A 11 10.134 6.725 9.155 1.00 0.00 O ATOM 0 H SER A 11 8.256 6.229 8.842 1.00 0.00 H new ATOM 0 HA SER A 11 9.471 3.649 9.311 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.561 5.760 10.926 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.262 5.033 9.494 1.00 0.00 H new ATOM 0 HG SER A 11 10.807 7.394 9.401 1.00 0.00 H new ATOM 141 N ILE A 12 7.608 3.419 11.203 1.00 0.00 N ATOM 142 CA ILE A 12 7.037 2.984 12.469 1.00 0.00 C ATOM 143 C ILE A 12 7.613 1.628 12.861 1.00 0.00 C ATOM 144 O ILE A 12 8.636 1.551 13.544 1.00 0.00 O ATOM 145 CB ILE A 12 5.493 2.892 12.400 1.00 0.00 C ATOM 146 CG1 ILE A 12 4.916 4.115 11.680 1.00 0.00 C ATOM 147 CG2 ILE A 12 4.907 2.777 13.802 1.00 0.00 C ATOM 148 CD1 ILE A 12 3.449 3.984 11.330 1.00 0.00 C ATOM 0 H ILE A 12 7.167 3.012 10.379 1.00 0.00 H new ATOM 0 HA ILE A 12 7.297 3.728 13.222 1.00 0.00 H new ATOM 0 HB ILE A 12 5.224 1.999 11.836 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.052 4.994 12.311 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.484 4.288 10.766 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.821 2.713 13.738 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.295 1.881 14.286 1.00 0.00 H new ATOM 0 HG23 ILE A 12 5.185 3.654 14.386 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.114 4.889 10.823 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.307 3.126 10.673 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.869 3.843 12.242 1.00 0.00 H new ATOM 160 N ASP A 13 6.963 0.568 12.415 1.00 0.00 N ATOM 161 CA ASP A 13 7.433 -0.789 12.669 1.00 0.00 C ATOM 162 C ASP A 13 7.863 -1.429 11.354 1.00 0.00 C ATOM 163 O ASP A 13 8.466 -0.766 10.512 1.00 0.00 O ATOM 164 CB ASP A 13 6.327 -1.609 13.343 1.00 0.00 C ATOM 165 CG ASP A 13 6.850 -2.845 14.041 1.00 0.00 C ATOM 166 OD1 ASP A 13 7.371 -2.727 15.165 1.00 0.00 O ATOM 167 OD2 ASP A 13 6.738 -3.945 13.464 1.00 0.00 O ATOM 0 H ASP A 13 6.102 0.618 11.871 1.00 0.00 H new ATOM 0 HA ASP A 13 8.291 -0.762 13.341 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.807 -0.982 14.067 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.593 -1.905 12.593 1.00 0.00 H new ATOM 172 N ASP A 14 7.538 -2.702 11.158 1.00 0.00 N ATOM 173 CA ASP A 14 7.780 -3.357 9.882 1.00 0.00 C ATOM 174 C ASP A 14 6.609 -3.097 8.944 1.00 0.00 C ATOM 175 O ASP A 14 6.403 -3.803 7.954 1.00 0.00 O ATOM 176 CB ASP A 14 7.993 -4.860 10.064 1.00 0.00 C ATOM 177 CG ASP A 14 8.722 -5.480 8.889 1.00 0.00 C ATOM 178 OD1 ASP A 14 9.616 -4.818 8.318 1.00 0.00 O ATOM 179 OD2 ASP A 14 8.397 -6.630 8.520 1.00 0.00 O ATOM 0 H ASP A 14 7.108 -3.298 11.865 1.00 0.00 H new ATOM 0 HA ASP A 14 8.690 -2.943 9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.562 -5.037 10.977 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.027 -5.350 10.190 1.00 0.00 H new ATOM 184 N TYR A 15 5.849 -2.066 9.268 1.00 0.00 N ATOM 185 CA TYR A 15 4.736 -1.644 8.444 1.00 0.00 C ATOM 186 C TYR A 15 5.270 -0.855 7.265 1.00 0.00 C ATOM 187 O TYR A 15 6.187 -0.044 7.414 1.00 0.00 O ATOM 188 CB TYR A 15 3.750 -0.804 9.260 1.00 0.00 C ATOM 189 CG TYR A 15 3.035 -1.599 10.330 1.00 0.00 C ATOM 190 CD1 TYR A 15 2.153 -2.615 9.989 1.00 0.00 C ATOM 191 CD2 TYR A 15 3.249 -1.343 11.678 1.00 0.00 C ATOM 192 CE1 TYR A 15 1.506 -3.356 10.960 1.00 0.00 C ATOM 193 CE2 TYR A 15 2.603 -2.080 12.657 1.00 0.00 C ATOM 194 CZ TYR A 15 1.732 -3.086 12.290 1.00 0.00 C ATOM 195 OH TYR A 15 1.090 -3.830 13.257 1.00 0.00 O ATOM 0 H TYR A 15 5.987 -1.502 10.106 1.00 0.00 H new ATOM 0 HA TYR A 15 4.199 -2.519 8.079 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.286 0.022 9.727 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.012 -0.366 8.588 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.969 -2.830 8.947 1.00 0.00 H new ATOM 0 HD2 TYR A 15 3.930 -0.557 11.968 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.825 -4.145 10.676 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.780 -1.869 13.701 1.00 0.00 H new ATOM 0 HH TYR A 15 1.359 -3.514 14.145 1.00 0.00 H new ATOM 205 N LYS A 16 4.722 -1.115 6.094 1.00 0.00 N ATOM 206 CA LYS A 16 5.231 -0.515 4.876 1.00 0.00 C ATOM 207 C LYS A 16 4.304 0.594 4.399 1.00 0.00 C ATOM 208 O LYS A 16 3.106 0.576 4.688 1.00 0.00 O ATOM 209 CB LYS A 16 5.385 -1.581 3.787 1.00 0.00 C ATOM 210 CG LYS A 16 6.829 -1.989 3.539 1.00 0.00 C ATOM 211 CD LYS A 16 7.142 -3.338 4.167 1.00 0.00 C ATOM 212 CE LYS A 16 8.549 -3.374 4.740 1.00 0.00 C ATOM 213 NZ LYS A 16 8.545 -3.393 6.228 1.00 0.00 N ATOM 0 H LYS A 16 3.925 -1.737 5.960 1.00 0.00 H new ATOM 0 HA LYS A 16 6.209 -0.081 5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.810 -2.463 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.957 -1.205 2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.017 -2.033 2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.498 -1.232 3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.421 -3.549 4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.033 -4.123 3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.070 -4.256 4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.105 -2.504 4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.882 -2.477 6.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.578 -3.565 6.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.172 -4.150 6.567 1.00 0.00 H new ATOM 227 N PRO A 17 4.851 1.574 3.663 1.00 0.00 N ATOM 228 CA PRO A 17 4.056 2.651 3.083 1.00 0.00 C ATOM 229 C PRO A 17 3.298 2.173 1.850 1.00 0.00 C ATOM 230 O PRO A 17 3.868 1.996 0.767 1.00 0.00 O ATOM 231 CB PRO A 17 5.102 3.707 2.712 1.00 0.00 C ATOM 232 CG PRO A 17 6.362 2.941 2.490 1.00 0.00 C ATOM 233 CD PRO A 17 6.290 1.725 3.376 1.00 0.00 C ATOM 0 HA PRO A 17 3.294 3.029 3.765 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.810 4.254 1.816 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.222 4.441 3.509 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.460 2.652 1.444 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.233 3.548 2.736 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.692 0.843 2.876 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.867 1.863 4.291 1.00 0.00 H new ATOM 241 N TYR A 18 2.012 1.944 2.038 1.00 0.00 N ATOM 242 CA TYR A 18 1.157 1.431 0.988 1.00 0.00 C ATOM 243 C TYR A 18 0.270 2.545 0.457 1.00 0.00 C ATOM 244 O TYR A 18 -0.503 3.137 1.202 1.00 0.00 O ATOM 245 CB TYR A 18 0.300 0.283 1.525 1.00 0.00 C ATOM 246 CG TYR A 18 1.062 -1.004 1.744 1.00 0.00 C ATOM 247 CD1 TYR A 18 1.599 -1.713 0.676 1.00 0.00 C ATOM 248 CD2 TYR A 18 1.240 -1.509 3.021 1.00 0.00 C ATOM 249 CE1 TYR A 18 2.291 -2.893 0.882 1.00 0.00 C ATOM 250 CE2 TYR A 18 1.929 -2.685 3.234 1.00 0.00 C ATOM 251 CZ TYR A 18 2.453 -3.372 2.164 1.00 0.00 C ATOM 252 OH TYR A 18 3.142 -4.542 2.383 1.00 0.00 O ATOM 0 H TYR A 18 1.532 2.109 2.923 1.00 0.00 H new ATOM 0 HA TYR A 18 1.776 1.054 0.174 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.151 0.591 2.468 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.516 0.096 0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.474 -1.337 -0.329 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.832 -0.973 3.865 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.702 -3.436 0.043 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.056 -3.065 4.237 1.00 0.00 H new ATOM 0 HH TYR A 18 2.745 -5.018 3.142 1.00 0.00 H new ATOM 262 N CYS A 19 0.387 2.836 -0.823 1.00 0.00 N ATOM 263 CA CYS A 19 -0.374 3.916 -1.422 1.00 0.00 C ATOM 264 C CYS A 19 -1.600 3.367 -2.141 1.00 0.00 C ATOM 265 O CYS A 19 -1.507 2.827 -3.244 1.00 0.00 O ATOM 266 CB CYS A 19 0.522 4.711 -2.370 1.00 0.00 C ATOM 267 SG CYS A 19 2.011 5.386 -1.560 1.00 0.00 S ATOM 0 H CYS A 19 1.001 2.340 -1.469 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.727 4.588 -0.640 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.826 4.068 -3.196 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.053 5.531 -2.800 1.00 0.00 H new ATOM 272 N CYS A 20 -2.750 3.496 -1.497 1.00 0.00 N ATOM 273 CA CYS A 20 -3.989 2.937 -2.013 1.00 0.00 C ATOM 274 C CYS A 20 -5.083 3.993 -2.070 1.00 0.00 C ATOM 275 O CYS A 20 -4.889 5.134 -1.642 1.00 0.00 O ATOM 276 CB CYS A 20 -4.455 1.772 -1.132 1.00 0.00 C ATOM 277 SG CYS A 20 -3.281 1.313 0.183 1.00 0.00 S ATOM 0 H CYS A 20 -2.850 3.987 -0.609 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.796 2.576 -3.023 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -5.409 2.035 -0.676 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.633 0.902 -1.764 1.00 0.00 H new ATOM 282 N GLN A 21 -6.227 3.600 -2.609 1.00 0.00 N ATOM 283 CA GLN A 21 -7.408 4.447 -2.627 1.00 0.00 C ATOM 284 C GLN A 21 -8.452 3.851 -1.691 1.00 0.00 C ATOM 285 O GLN A 21 -8.516 2.632 -1.531 1.00 0.00 O ATOM 286 CB GLN A 21 -7.974 4.572 -4.050 1.00 0.00 C ATOM 287 CG GLN A 21 -7.022 4.092 -5.142 1.00 0.00 C ATOM 288 CD GLN A 21 -6.254 5.231 -5.791 1.00 0.00 C ATOM 289 OE1 GLN A 21 -5.837 6.180 -5.126 1.00 0.00 O ATOM 290 NE2 GLN A 21 -6.058 5.145 -7.096 1.00 0.00 N ATOM 0 H GLN A 21 -6.362 2.688 -3.045 1.00 0.00 H new ATOM 0 HA GLN A 21 -7.138 5.448 -2.291 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -8.900 4.001 -4.113 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -8.230 5.615 -4.238 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.316 3.379 -4.716 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.590 3.560 -5.906 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.418 4.344 -7.614 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.547 5.880 -7.584 1.00 0.00 H new ATOM 299 N SER A 22 -9.251 4.698 -1.062 1.00 0.00 N ATOM 300 CA SER A 22 -10.241 4.231 -0.105 1.00 0.00 C ATOM 301 C SER A 22 -11.472 3.679 -0.819 1.00 0.00 C ATOM 302 O SER A 22 -12.132 4.390 -1.582 1.00 0.00 O ATOM 303 CB SER A 22 -10.643 5.371 0.835 1.00 0.00 C ATOM 304 OG SER A 22 -9.642 6.380 0.879 1.00 0.00 O ATOM 0 H SER A 22 -9.234 5.709 -1.196 1.00 0.00 H new ATOM 0 HA SER A 22 -9.797 3.426 0.481 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.586 5.805 0.502 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.810 4.977 1.838 1.00 0.00 H new ATOM 0 HG SER A 22 -9.926 7.096 1.485 1.00 0.00 H new ATOM 310 N MET A 23 -11.765 2.407 -0.575 1.00 0.00 N ATOM 311 CA MET A 23 -12.929 1.753 -1.161 1.00 0.00 C ATOM 312 C MET A 23 -14.193 2.111 -0.385 1.00 0.00 C ATOM 313 O MET A 23 -14.250 3.144 0.286 1.00 0.00 O ATOM 314 CB MET A 23 -12.733 0.235 -1.168 1.00 0.00 C ATOM 315 CG MET A 23 -12.424 -0.336 -2.544 1.00 0.00 C ATOM 316 SD MET A 23 -10.672 -0.242 -2.962 1.00 0.00 S ATOM 317 CE MET A 23 -10.761 -0.162 -4.749 1.00 0.00 C ATOM 0 H MET A 23 -11.207 1.804 0.030 1.00 0.00 H new ATOM 0 HA MET A 23 -13.040 2.103 -2.187 1.00 0.00 H new ATOM 0 HB2 MET A 23 -11.921 -0.021 -0.488 1.00 0.00 H new ATOM 0 HB3 MET A 23 -13.634 -0.241 -0.781 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.746 -1.377 -2.581 1.00 0.00 H new ATOM 0 HG3 MET A 23 -13.001 0.204 -3.294 1.00 0.00 H new ATOM 0 HE1 MET A 23 -9.754 -0.100 -5.161 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.254 -1.057 -5.129 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.329 0.719 -5.046 1.00 0.00 H new ATOM 327 N SER A 24 -15.200 1.253 -0.472 1.00 0.00 N ATOM 328 CA SER A 24 -16.458 1.459 0.227 1.00 0.00 C ATOM 329 C SER A 24 -16.313 1.142 1.718 1.00 0.00 C ATOM 330 O SER A 24 -16.844 0.146 2.211 1.00 0.00 O ATOM 331 CB SER A 24 -17.530 0.576 -0.407 1.00 0.00 C ATOM 332 OG SER A 24 -16.975 -0.202 -1.461 1.00 0.00 O ATOM 0 H SER A 24 -15.167 0.398 -1.027 1.00 0.00 H new ATOM 0 HA SER A 24 -16.749 2.506 0.139 1.00 0.00 H new ATOM 0 HB2 SER A 24 -17.963 -0.080 0.348 1.00 0.00 H new ATOM 0 HB3 SER A 24 -18.339 1.196 -0.792 1.00 0.00 H new ATOM 0 HG SER A 24 -16.520 -0.985 -1.085 1.00 0.00 H new ATOM 338 N GLY A 25 -15.580 1.992 2.424 1.00 0.00 N ATOM 339 CA GLY A 25 -15.379 1.811 3.846 1.00 0.00 C ATOM 340 C GLY A 25 -14.401 0.695 4.161 1.00 0.00 C ATOM 341 O GLY A 25 -13.204 0.931 4.315 1.00 0.00 O ATOM 0 H GLY A 25 -15.117 2.812 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.013 2.742 4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.336 1.594 4.320 1.00 0.00 H new ATOM 345 N SER A 26 -14.911 -0.523 4.239 1.00 0.00 N ATOM 346 CA SER A 26 -14.094 -1.676 4.580 1.00 0.00 C ATOM 347 C SER A 26 -14.283 -2.783 3.547 1.00 0.00 C ATOM 348 O SER A 26 -15.394 -3.274 3.349 1.00 0.00 O ATOM 349 CB SER A 26 -14.461 -2.185 5.976 1.00 0.00 C ATOM 350 OG SER A 26 -15.329 -1.273 6.633 1.00 0.00 O ATOM 0 H SER A 26 -15.893 -0.740 4.070 1.00 0.00 H new ATOM 0 HA SER A 26 -13.046 -1.376 4.579 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.942 -3.160 5.898 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.556 -2.323 6.567 1.00 0.00 H new ATOM 0 HG SER A 26 -15.553 -1.618 7.523 1.00 0.00 H new ATOM 356 N ALA A 27 -13.196 -3.156 2.888 1.00 0.00 N ATOM 357 CA ALA A 27 -13.228 -4.178 1.854 1.00 0.00 C ATOM 358 C ALA A 27 -11.809 -4.591 1.495 1.00 0.00 C ATOM 359 O ALA A 27 -10.848 -4.091 2.084 1.00 0.00 O ATOM 360 CB ALA A 27 -13.955 -3.662 0.619 1.00 0.00 C ATOM 0 H ALA A 27 -12.271 -2.760 3.054 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.767 -5.046 2.233 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.970 -4.439 -0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.978 -3.394 0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.438 -2.783 0.233 1.00 0.00 H new ATOM 366 N SER A 28 -11.679 -5.496 0.539 1.00 0.00 N ATOM 367 CA SER A 28 -10.374 -5.860 0.016 1.00 0.00 C ATOM 368 C SER A 28 -9.880 -4.757 -0.918 1.00 0.00 C ATOM 369 O SER A 28 -10.015 -4.850 -2.140 1.00 0.00 O ATOM 370 CB SER A 28 -10.465 -7.199 -0.716 1.00 0.00 C ATOM 371 OG SER A 28 -11.718 -7.824 -0.477 1.00 0.00 O ATOM 0 H SER A 28 -12.461 -5.991 0.110 1.00 0.00 H new ATOM 0 HA SER A 28 -9.662 -5.969 0.835 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.331 -7.043 -1.786 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.659 -7.854 -0.386 1.00 0.00 H new ATOM 0 HG SER A 28 -12.370 -7.514 -1.140 1.00 0.00 H new ATOM 377 N LEU A 29 -9.333 -3.706 -0.324 1.00 0.00 N ATOM 378 CA LEU A 29 -8.958 -2.508 -1.060 1.00 0.00 C ATOM 379 C LEU A 29 -7.722 -2.737 -1.917 1.00 0.00 C ATOM 380 O LEU A 29 -6.780 -3.420 -1.508 1.00 0.00 O ATOM 381 CB LEU A 29 -8.724 -1.338 -0.094 1.00 0.00 C ATOM 382 CG LEU A 29 -7.802 -1.632 1.092 1.00 0.00 C ATOM 383 CD1 LEU A 29 -6.644 -0.648 1.119 1.00 0.00 C ATOM 384 CD2 LEU A 29 -8.577 -1.574 2.398 1.00 0.00 C ATOM 0 H LEU A 29 -9.138 -3.660 0.676 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.784 -2.261 -1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.306 -0.503 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.689 -1.011 0.292 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.400 -2.638 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.997 -0.870 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.072 -0.734 0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.031 0.367 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.905 -1.786 3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.006 -0.580 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.376 -2.315 2.380 1.00 0.00 H new ATOM 396 N GLY A 30 -7.738 -2.160 -3.111 1.00 0.00 N ATOM 397 CA GLY A 30 -6.615 -2.275 -4.012 1.00 0.00 C ATOM 398 C GLY A 30 -5.552 -1.244 -3.710 1.00 0.00 C ATOM 399 O GLY A 30 -5.820 -0.041 -3.720 1.00 0.00 O ATOM 0 H GLY A 30 -8.518 -1.610 -3.471 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.186 -3.274 -3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.958 -2.154 -5.039 1.00 0.00 H new ATOM 403 N CYS A 31 -4.351 -1.706 -3.436 1.00 0.00 N ATOM 404 CA CYS A 31 -3.281 -0.826 -3.026 1.00 0.00 C ATOM 405 C CYS A 31 -2.055 -0.995 -3.912 1.00 0.00 C ATOM 406 O CYS A 31 -1.918 -1.998 -4.607 1.00 0.00 O ATOM 407 CB CYS A 31 -2.918 -1.122 -1.575 1.00 0.00 C ATOM 408 SG CYS A 31 -1.915 0.167 -0.783 1.00 0.00 S ATOM 0 H CYS A 31 -4.092 -2.691 -3.491 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.623 0.205 -3.123 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.836 -1.256 -1.002 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.375 -2.066 -1.533 1.00 0.00 H new ATOM 413 N VAL A 32 -1.180 -0.003 -3.895 1.00 0.00 N ATOM 414 CA VAL A 32 0.092 -0.089 -4.590 1.00 0.00 C ATOM 415 C VAL A 32 1.219 0.175 -3.608 1.00 0.00 C ATOM 416 O VAL A 32 1.170 1.138 -2.843 1.00 0.00 O ATOM 417 CB VAL A 32 0.196 0.919 -5.759 1.00 0.00 C ATOM 418 CG1 VAL A 32 1.173 0.413 -6.809 1.00 0.00 C ATOM 419 CG2 VAL A 32 -1.167 1.192 -6.383 1.00 0.00 C ATOM 0 H VAL A 32 -1.330 0.878 -3.403 1.00 0.00 H new ATOM 0 HA VAL A 32 0.167 -1.092 -5.010 1.00 0.00 H new ATOM 0 HB VAL A 32 0.569 1.861 -5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.235 1.133 -7.625 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.158 0.288 -6.359 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.827 -0.545 -7.196 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.057 1.904 -7.201 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.585 0.261 -6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.836 1.606 -5.629 1.00 0.00 H new ATOM 429 N VAL A 33 2.218 -0.690 -3.604 1.00 0.00 N ATOM 430 CA VAL A 33 3.362 -0.502 -2.730 1.00 0.00 C ATOM 431 C VAL A 33 4.141 0.742 -3.154 1.00 0.00 C ATOM 432 O VAL A 33 4.514 0.882 -4.320 1.00 0.00 O ATOM 433 CB VAL A 33 4.281 -1.748 -2.718 1.00 0.00 C ATOM 434 CG1 VAL A 33 4.654 -2.181 -4.131 1.00 0.00 C ATOM 435 CG2 VAL A 33 5.528 -1.499 -1.877 1.00 0.00 C ATOM 0 H VAL A 33 2.261 -1.523 -4.191 1.00 0.00 H new ATOM 0 HA VAL A 33 2.994 -0.362 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 33 3.721 -2.564 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.299 -3.058 -4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.749 -2.426 -4.687 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.180 -1.369 -4.633 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.156 -2.390 -1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.085 -0.658 -2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.236 -1.271 -0.852 1.00 0.00 H new ATOM 445 N GLY A 34 4.354 1.653 -2.209 1.00 0.00 N ATOM 446 CA GLY A 34 5.022 2.901 -2.514 1.00 0.00 C ATOM 447 C GLY A 34 6.462 2.706 -2.938 1.00 0.00 C ATOM 448 O GLY A 34 6.924 3.346 -3.879 1.00 0.00 O ATOM 0 H GLY A 34 4.074 1.546 -1.234 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.480 3.413 -3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.990 3.549 -1.638 1.00 0.00 H new ATOM 452 N VAL A 35 7.160 1.815 -2.232 1.00 0.00 N ATOM 453 CA VAL A 35 8.572 1.511 -2.500 1.00 0.00 C ATOM 454 C VAL A 35 9.463 2.672 -2.055 1.00 0.00 C ATOM 455 O VAL A 35 9.051 3.830 -2.065 1.00 0.00 O ATOM 456 CB VAL A 35 8.844 1.181 -3.993 1.00 0.00 C ATOM 457 CG1 VAL A 35 10.259 0.657 -4.191 1.00 0.00 C ATOM 458 CG2 VAL A 35 7.835 0.172 -4.527 1.00 0.00 C ATOM 0 H VAL A 35 6.765 1.282 -1.457 1.00 0.00 H new ATOM 0 HA VAL A 35 8.813 0.619 -1.922 1.00 0.00 H new ATOM 0 HB VAL A 35 8.736 2.109 -4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.420 0.435 -5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.975 1.411 -3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.396 -0.251 -3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.051 -0.039 -5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.902 -0.750 -3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.829 0.582 -4.440 1.00 0.00 H new ATOM 468 N ILE A 36 10.682 2.356 -1.656 1.00 0.00 N ATOM 469 CA ILE A 36 11.597 3.358 -1.134 1.00 0.00 C ATOM 470 C ILE A 36 12.148 4.238 -2.255 1.00 0.00 C ATOM 471 O ILE A 36 12.904 3.772 -3.108 1.00 0.00 O ATOM 472 CB ILE A 36 12.771 2.703 -0.373 1.00 0.00 C ATOM 473 CG1 ILE A 36 12.260 1.599 0.563 1.00 0.00 C ATOM 474 CG2 ILE A 36 13.551 3.753 0.407 1.00 0.00 C ATOM 475 CD1 ILE A 36 11.385 2.107 1.693 1.00 0.00 C ATOM 0 H ILE A 36 11.063 1.410 -1.683 1.00 0.00 H new ATOM 0 HA ILE A 36 11.029 3.979 -0.441 1.00 0.00 H new ATOM 0 HB ILE A 36 13.442 2.247 -1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.696 0.873 -0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.114 1.072 0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 36 14.375 3.275 0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.947 4.498 -0.282 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.890 4.238 1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.064 1.268 2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.951 2.810 2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.510 2.608 1.279 1.00 0.00 H new ATOM 487 N GLY A 37 11.749 5.504 -2.250 1.00 0.00 N ATOM 488 CA GLY A 37 12.254 6.446 -3.228 1.00 0.00 C ATOM 489 C GLY A 37 11.408 6.487 -4.479 1.00 0.00 C ATOM 490 O GLY A 37 11.912 6.282 -5.586 1.00 0.00 O ATOM 0 H GLY A 37 11.083 5.895 -1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.291 7.441 -2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.277 6.177 -3.493 1.00 0.00 H new ATOM 494 N SER A 38 10.119 6.752 -4.311 1.00 0.00 N ATOM 495 CA SER A 38 9.202 6.808 -5.439 1.00 0.00 C ATOM 496 C SER A 38 8.187 7.935 -5.271 1.00 0.00 C ATOM 497 O SER A 38 8.029 8.490 -4.178 1.00 0.00 O ATOM 498 CB SER A 38 8.478 5.467 -5.603 1.00 0.00 C ATOM 499 OG SER A 38 9.182 4.417 -4.961 1.00 0.00 O ATOM 0 H SER A 38 9.686 6.931 -3.405 1.00 0.00 H new ATOM 0 HA SER A 38 9.787 7.010 -6.337 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.473 5.541 -5.187 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.368 5.238 -6.663 1.00 0.00 H new ATOM 0 HG SER A 38 8.861 4.323 -4.040 1.00 0.00 H new ATOM 505 N GLN A 39 7.510 8.268 -6.363 1.00 0.00 N ATOM 506 CA GLN A 39 6.487 9.300 -6.355 1.00 0.00 C ATOM 507 C GLN A 39 5.104 8.660 -6.308 1.00 0.00 C ATOM 508 O GLN A 39 4.549 8.282 -7.341 1.00 0.00 O ATOM 509 CB GLN A 39 6.615 10.186 -7.596 1.00 0.00 C ATOM 510 CG GLN A 39 7.732 11.212 -7.496 1.00 0.00 C ATOM 511 CD GLN A 39 7.484 12.232 -6.401 1.00 0.00 C ATOM 512 OE1 GLN A 39 6.428 12.860 -6.351 1.00 0.00 O ATOM 513 NE2 GLN A 39 8.454 12.404 -5.522 1.00 0.00 N ATOM 0 H GLN A 39 7.655 7.832 -7.273 1.00 0.00 H new ATOM 0 HA GLN A 39 6.622 9.921 -5.469 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.789 9.554 -8.467 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.670 10.704 -7.762 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.675 10.700 -7.305 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.836 11.726 -8.451 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.315 11.862 -5.600 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.343 13.079 -4.765 1.00 0.00 H new ATOM 522 N CYS A 40 4.557 8.535 -5.111 1.00 0.00 N ATOM 523 CA CYS A 40 3.284 7.856 -4.917 1.00 0.00 C ATOM 524 C CYS A 40 2.123 8.718 -5.390 1.00 0.00 C ATOM 525 O CYS A 40 1.867 9.790 -4.849 1.00 0.00 O ATOM 526 CB CYS A 40 3.098 7.497 -3.445 1.00 0.00 C ATOM 527 SG CYS A 40 3.296 5.722 -3.092 1.00 0.00 S ATOM 0 H CYS A 40 4.976 8.896 -4.254 1.00 0.00 H new ATOM 0 HA CYS A 40 3.296 6.943 -5.512 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.818 8.059 -2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.105 7.813 -3.126 1.00 0.00 H new ATOM 532 N GLY A 41 1.414 8.237 -6.398 1.00 0.00 N ATOM 533 CA GLY A 41 0.280 8.968 -6.919 1.00 0.00 C ATOM 534 C GLY A 41 -1.017 8.559 -6.252 1.00 0.00 C ATOM 535 O GLY A 41 -2.067 8.516 -6.893 1.00 0.00 O ATOM 0 H GLY A 41 1.604 7.351 -6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.440 10.036 -6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.203 8.800 -7.993 1.00 0.00 H new ATOM 539 N ALA A 42 -0.945 8.271 -4.959 1.00 0.00 N ATOM 540 CA ALA A 42 -2.101 7.821 -4.199 1.00 0.00 C ATOM 541 C ALA A 42 -1.914 8.125 -2.719 1.00 0.00 C ATOM 542 O ALA A 42 -0.878 8.653 -2.315 1.00 0.00 O ATOM 543 CB ALA A 42 -2.329 6.329 -4.413 1.00 0.00 C ATOM 0 H ALA A 42 -0.088 8.343 -4.411 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.980 8.359 -4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.197 6.007 -3.838 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.503 6.136 -5.472 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.450 5.776 -4.083 1.00 0.00 H new ATOM 549 N SER A 43 -2.914 7.793 -1.918 1.00 0.00 N ATOM 550 CA SER A 43 -2.878 8.064 -0.489 1.00 0.00 C ATOM 551 C SER A 43 -1.945 7.088 0.232 1.00 0.00 C ATOM 552 O SER A 43 -2.119 5.872 0.144 1.00 0.00 O ATOM 553 CB SER A 43 -4.291 7.961 0.072 1.00 0.00 C ATOM 554 OG SER A 43 -5.231 7.756 -0.974 1.00 0.00 O ATOM 0 H SER A 43 -3.767 7.332 -2.236 1.00 0.00 H new ATOM 0 HA SER A 43 -2.491 9.070 -0.328 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.346 7.138 0.784 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.539 8.872 0.618 1.00 0.00 H new ATOM 0 HG SER A 43 -5.270 6.802 -1.196 1.00 0.00 H new ATOM 560 N VAL A 44 -0.961 7.628 0.940 1.00 0.00 N ATOM 561 CA VAL A 44 0.031 6.808 1.626 1.00 0.00 C ATOM 562 C VAL A 44 -0.499 6.312 2.968 1.00 0.00 C ATOM 563 O VAL A 44 -0.750 7.100 3.879 1.00 0.00 O ATOM 564 CB VAL A 44 1.343 7.586 1.860 1.00 0.00 C ATOM 565 CG1 VAL A 44 2.476 6.637 2.222 1.00 0.00 C ATOM 566 CG2 VAL A 44 1.710 8.409 0.634 1.00 0.00 C ATOM 0 H VAL A 44 -0.828 8.633 1.055 1.00 0.00 H new ATOM 0 HA VAL A 44 0.235 5.954 0.980 1.00 0.00 H new ATOM 0 HB VAL A 44 1.185 8.268 2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.391 7.207 2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.221 6.097 3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.629 5.926 1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.638 8.949 0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.842 7.747 -0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.913 9.121 0.422 1.00 0.00 H new ATOM 576 N LYS A 45 -0.685 5.007 3.071 1.00 0.00 N ATOM 577 CA LYS A 45 -1.126 4.379 4.308 1.00 0.00 C ATOM 578 C LYS A 45 0.006 3.549 4.903 1.00 0.00 C ATOM 579 O LYS A 45 1.083 3.449 4.313 1.00 0.00 O ATOM 580 CB LYS A 45 -2.341 3.482 4.052 1.00 0.00 C ATOM 581 CG LYS A 45 -3.497 4.193 3.367 1.00 0.00 C ATOM 582 CD LYS A 45 -4.756 4.166 4.223 1.00 0.00 C ATOM 583 CE LYS A 45 -4.564 4.948 5.512 1.00 0.00 C ATOM 584 NZ LYS A 45 -5.858 5.273 6.170 1.00 0.00 N ATOM 0 H LYS A 45 -0.535 4.353 2.303 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.409 5.163 5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.033 2.636 3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.688 3.077 5.003 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.219 5.226 3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.699 3.719 2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.590 4.587 3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.017 3.134 4.457 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.945 4.369 6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.025 5.871 5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.744 5.225 7.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.154 6.232 5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.582 4.589 5.869 1.00 0.00 H new ATOM 598 N CYS A 46 -0.242 2.948 6.057 1.00 0.00 N ATOM 599 CA CYS A 46 0.758 2.118 6.710 1.00 0.00 C ATOM 600 C CYS A 46 0.144 0.794 7.139 1.00 0.00 C ATOM 601 O CYS A 46 -0.482 0.690 8.197 1.00 0.00 O ATOM 602 CB CYS A 46 1.363 2.845 7.914 1.00 0.00 C ATOM 603 SG CYS A 46 3.188 2.885 7.922 1.00 0.00 S ATOM 0 H CYS A 46 -1.126 3.020 6.560 1.00 0.00 H new ATOM 0 HA CYS A 46 1.558 1.917 5.998 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.988 3.868 7.933 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.017 2.362 8.828 1.00 0.00 H new ATOM 608 N CYS A 47 0.311 -0.219 6.306 1.00 0.00 N ATOM 609 CA CYS A 47 -0.244 -1.534 6.585 1.00 0.00 C ATOM 610 C CYS A 47 0.862 -2.583 6.567 1.00 0.00 C ATOM 611 O CYS A 47 2.034 -2.255 6.372 1.00 0.00 O ATOM 612 CB CYS A 47 -1.333 -1.891 5.562 1.00 0.00 C ATOM 613 SG CYS A 47 -2.299 -0.469 4.954 1.00 0.00 S ATOM 0 H CYS A 47 0.828 -0.156 5.429 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.698 -1.515 7.576 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.865 -2.386 4.711 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.016 -2.611 6.014 1.00 0.00 H new ATOM 618 N LYS A 48 0.498 -3.840 6.776 1.00 0.00 N ATOM 619 CA LYS A 48 1.469 -4.922 6.741 1.00 0.00 C ATOM 620 C LYS A 48 1.140 -5.898 5.624 1.00 0.00 C ATOM 621 O LYS A 48 1.919 -6.063 4.682 1.00 0.00 O ATOM 622 CB LYS A 48 1.497 -5.657 8.082 1.00 0.00 C ATOM 623 CG LYS A 48 2.896 -5.876 8.632 1.00 0.00 C ATOM 624 CD LYS A 48 3.582 -7.055 7.968 1.00 0.00 C ATOM 625 CE LYS A 48 5.055 -6.771 7.713 1.00 0.00 C ATOM 626 NZ LYS A 48 5.938 -7.669 8.500 1.00 0.00 N ATOM 0 H LYS A 48 -0.459 -4.134 6.971 1.00 0.00 H new ATOM 0 HA LYS A 48 2.453 -4.492 6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.916 -5.090 8.809 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.007 -6.624 7.966 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.492 -4.976 8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.842 -6.045 9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.485 -7.937 8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.085 -7.282 7.025 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.269 -6.891 6.651 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.274 -5.734 7.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.842 -7.190 8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.477 -7.906 9.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.114 -8.541 7.962 1.00 0.00 H new ATOM 640 N ASP A 49 -0.038 -6.507 5.730 1.00 0.00 N ATOM 641 CA ASP A 49 -0.451 -7.589 4.840 1.00 0.00 C ATOM 642 C ASP A 49 0.613 -8.684 4.829 1.00 0.00 C ATOM 643 O ASP A 49 1.139 -9.042 5.887 1.00 0.00 O ATOM 644 CB ASP A 49 -0.740 -7.076 3.421 1.00 0.00 C ATOM 645 CG ASP A 49 -1.803 -7.905 2.723 1.00 0.00 C ATOM 646 OD1 ASP A 49 -1.443 -8.919 2.091 1.00 0.00 O ATOM 647 OD2 ASP A 49 -3.001 -7.558 2.821 1.00 0.00 O ATOM 0 H ASP A 49 -0.734 -6.264 6.435 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.383 -8.010 5.218 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.065 -6.037 3.470 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.178 -7.095 2.834 1.00 0.00 H new ATOM 652 N ASP A 50 0.926 -9.219 3.659 1.00 0.00 N ATOM 653 CA ASP A 50 2.003 -10.194 3.541 1.00 0.00 C ATOM 654 C ASP A 50 2.497 -10.291 2.108 1.00 0.00 C ATOM 655 O ASP A 50 1.910 -10.990 1.279 1.00 0.00 O ATOM 656 CB ASP A 50 1.553 -11.573 4.032 1.00 0.00 C ATOM 657 CG ASP A 50 2.726 -12.459 4.402 1.00 0.00 C ATOM 658 OD1 ASP A 50 3.564 -12.031 5.226 1.00 0.00 O ATOM 659 OD2 ASP A 50 2.822 -13.583 3.869 1.00 0.00 O ATOM 0 H ASP A 50 0.454 -8.998 2.782 1.00 0.00 H new ATOM 0 HA ASP A 50 2.824 -9.851 4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.902 -11.454 4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.963 -12.059 3.255 1.00 0.00 H new ATOM 664 N VAL A 51 3.574 -9.576 1.815 1.00 0.00 N ATOM 665 CA VAL A 51 4.186 -9.620 0.491 1.00 0.00 C ATOM 666 C VAL A 51 5.004 -10.903 0.318 1.00 0.00 C ATOM 667 O VAL A 51 6.233 -10.872 0.216 1.00 0.00 O ATOM 668 CB VAL A 51 5.094 -8.394 0.230 1.00 0.00 C ATOM 669 CG1 VAL A 51 5.267 -8.165 -1.265 1.00 0.00 C ATOM 670 CG2 VAL A 51 4.530 -7.149 0.898 1.00 0.00 C ATOM 0 H VAL A 51 4.044 -8.957 2.476 1.00 0.00 H new ATOM 0 HA VAL A 51 3.373 -9.602 -0.235 1.00 0.00 H new ATOM 0 HB VAL A 51 6.073 -8.599 0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.908 -7.299 -1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.724 -9.045 -1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.293 -7.987 -1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.186 -6.301 0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.537 -6.941 0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.463 -7.312 1.974 1.00 0.00 H new ATOM 680 N THR A 52 4.314 -12.032 0.314 1.00 0.00 N ATOM 681 CA THR A 52 4.949 -13.325 0.120 1.00 0.00 C ATOM 682 C THR A 52 5.149 -13.611 -1.365 1.00 0.00 C ATOM 683 O THR A 52 6.118 -14.253 -1.762 1.00 0.00 O ATOM 684 CB THR A 52 4.090 -14.439 0.734 1.00 0.00 C ATOM 685 OG1 THR A 52 2.896 -13.867 1.289 1.00 0.00 O ATOM 686 CG2 THR A 52 4.856 -15.182 1.817 1.00 0.00 C ATOM 0 H THR A 52 3.303 -12.078 0.444 1.00 0.00 H new ATOM 0 HA THR A 52 5.920 -13.298 0.614 1.00 0.00 H new ATOM 0 HB THR A 52 3.830 -15.151 -0.049 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.070 -13.575 2.208 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.225 -15.966 2.236 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.753 -15.629 1.387 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.140 -14.485 2.605 1.00 0.00 H new ATOM 694 N ASN A 53 4.218 -13.121 -2.172 1.00 0.00 N ATOM 695 CA ASN A 53 4.263 -13.311 -3.619 1.00 0.00 C ATOM 696 C ASN A 53 3.386 -12.271 -4.303 1.00 0.00 C ATOM 697 O ASN A 53 3.739 -11.726 -5.351 1.00 0.00 O ATOM 698 CB ASN A 53 3.797 -14.725 -3.997 1.00 0.00 C ATOM 699 CG ASN A 53 3.255 -14.811 -5.415 1.00 0.00 C ATOM 700 OD1 ASN A 53 2.058 -14.631 -5.651 1.00 0.00 O ATOM 701 ND2 ASN A 53 4.128 -15.091 -6.368 1.00 0.00 N ATOM 0 H ASN A 53 3.414 -12.584 -1.847 1.00 0.00 H new ATOM 0 HA ASN A 53 5.293 -13.189 -3.954 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.632 -15.418 -3.890 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.025 -15.046 -3.298 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.819 -15.165 -7.337 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.110 -15.233 -6.134 1.00 0.00 H new ATOM 708 N THR A 54 2.257 -11.979 -3.679 1.00 0.00 N ATOM 709 CA THR A 54 1.300 -11.044 -4.231 1.00 0.00 C ATOM 710 C THR A 54 1.763 -9.610 -4.017 1.00 0.00 C ATOM 711 O THR A 54 2.057 -9.200 -2.894 1.00 0.00 O ATOM 712 CB THR A 54 -0.070 -11.246 -3.569 1.00 0.00 C ATOM 713 OG1 THR A 54 0.042 -12.259 -2.556 1.00 0.00 O ATOM 714 CG2 THR A 54 -1.118 -11.653 -4.595 1.00 0.00 C ATOM 0 H THR A 54 1.982 -12.381 -2.783 1.00 0.00 H new ATOM 0 HA THR A 54 1.218 -11.229 -5.302 1.00 0.00 H new ATOM 0 HB THR A 54 -0.386 -10.304 -3.120 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.830 -12.392 -2.128 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.079 -11.790 -4.099 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.208 -10.874 -5.352 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.819 -12.587 -5.070 1.00 0.00 H new ATOM 722 N GLY A 55 1.844 -8.862 -5.108 1.00 0.00 N ATOM 723 CA GLY A 55 2.317 -7.498 -5.044 1.00 0.00 C ATOM 724 C GLY A 55 3.059 -7.112 -6.302 1.00 0.00 C ATOM 725 O GLY A 55 4.286 -7.020 -6.309 1.00 0.00 O ATOM 0 H GLY A 55 1.588 -9.181 -6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.472 -6.825 -4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.973 -7.379 -4.182 1.00 0.00 H new ATOM 729 N ASN A 56 2.318 -6.906 -7.376 1.00 0.00 N ATOM 730 CA ASN A 56 2.916 -6.556 -8.655 1.00 0.00 C ATOM 731 C ASN A 56 2.446 -5.174 -9.099 1.00 0.00 C ATOM 732 O ASN A 56 2.981 -4.160 -8.658 1.00 0.00 O ATOM 733 CB ASN A 56 2.566 -7.611 -9.706 1.00 0.00 C ATOM 734 CG ASN A 56 3.608 -7.716 -10.802 1.00 0.00 C ATOM 735 OD1 ASN A 56 3.278 -7.708 -11.989 1.00 0.00 O ATOM 736 ND2 ASN A 56 4.868 -7.834 -10.414 1.00 0.00 N ATOM 0 H ASN A 56 1.300 -6.975 -7.389 1.00 0.00 H new ATOM 0 HA ASN A 56 4.000 -6.528 -8.542 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.458 -8.580 -9.219 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.601 -7.368 -10.151 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.609 -7.923 -11.109 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.098 -7.836 -9.420 1.00 0.00 H new ATOM 743 N SER A 57 1.448 -5.135 -9.967 1.00 0.00 N ATOM 744 CA SER A 57 0.857 -3.875 -10.388 1.00 0.00 C ATOM 745 C SER A 57 -0.120 -3.382 -9.330 1.00 0.00 C ATOM 746 O SER A 57 -0.300 -2.180 -9.131 1.00 0.00 O ATOM 747 CB SER A 57 0.136 -4.058 -11.722 1.00 0.00 C ATOM 748 OG SER A 57 0.408 -5.337 -12.276 1.00 0.00 O ATOM 0 H SER A 57 1.030 -5.962 -10.394 1.00 0.00 H new ATOM 0 HA SER A 57 1.647 -3.135 -10.512 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.938 -3.941 -11.578 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.451 -3.281 -12.419 1.00 0.00 H new ATOM 0 HG SER A 57 -0.066 -5.432 -13.129 1.00 0.00 H new ATOM 754 N PHE A 58 -0.738 -4.331 -8.646 1.00 0.00 N ATOM 755 CA PHE A 58 -1.705 -4.033 -7.608 1.00 0.00 C ATOM 756 C PHE A 58 -1.549 -5.026 -6.468 1.00 0.00 C ATOM 757 O PHE A 58 -1.123 -6.163 -6.681 1.00 0.00 O ATOM 758 CB PHE A 58 -3.126 -4.101 -8.175 1.00 0.00 C ATOM 759 CG PHE A 58 -3.959 -2.883 -7.893 1.00 0.00 C ATOM 760 CD1 PHE A 58 -3.377 -1.629 -7.793 1.00 0.00 C ATOM 761 CD2 PHE A 58 -5.331 -2.995 -7.730 1.00 0.00 C ATOM 762 CE1 PHE A 58 -4.148 -0.510 -7.538 1.00 0.00 C ATOM 763 CE2 PHE A 58 -6.106 -1.881 -7.475 1.00 0.00 C ATOM 764 CZ PHE A 58 -5.513 -0.636 -7.377 1.00 0.00 C ATOM 0 H PHE A 58 -0.582 -5.328 -8.796 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.529 -3.025 -7.233 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.068 -4.247 -9.254 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.629 -4.975 -7.762 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.309 -1.525 -7.916 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.799 -3.965 -7.803 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.683 0.462 -7.465 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.174 -1.982 -7.352 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.117 0.236 -7.175 1.00 0.00 H new ATOM 774 N LEU A 59 -1.854 -4.580 -5.264 1.00 0.00 N ATOM 775 CA LEU A 59 -1.860 -5.439 -4.097 1.00 0.00 C ATOM 776 C LEU A 59 -3.166 -5.255 -3.342 1.00 0.00 C ATOM 777 O LEU A 59 -3.410 -4.200 -2.758 1.00 0.00 O ATOM 778 CB LEU A 59 -0.678 -5.112 -3.178 1.00 0.00 C ATOM 779 CG LEU A 59 0.131 -6.321 -2.696 1.00 0.00 C ATOM 780 CD1 LEU A 59 1.222 -5.886 -1.727 1.00 0.00 C ATOM 781 CD2 LEU A 59 -0.778 -7.356 -2.049 1.00 0.00 C ATOM 0 H LEU A 59 -2.105 -3.611 -5.068 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.766 -6.475 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.007 -4.433 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.054 -4.576 -2.306 1.00 0.00 H new ATOM 0 HG LEU A 59 0.606 -6.779 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.785 -6.759 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.895 -5.188 -2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.769 -5.399 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.182 -8.205 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.286 -6.910 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.518 -7.695 -2.774 1.00 0.00 H new ATOM 793 N ILE A 60 -4.010 -6.267 -3.376 1.00 0.00 N ATOM 794 CA ILE A 60 -5.266 -6.220 -2.654 1.00 0.00 C ATOM 795 C ILE A 60 -5.019 -6.534 -1.183 1.00 0.00 C ATOM 796 O ILE A 60 -4.593 -7.634 -0.831 1.00 0.00 O ATOM 797 CB ILE A 60 -6.303 -7.196 -3.267 1.00 0.00 C ATOM 798 CG1 ILE A 60 -7.024 -6.528 -4.440 1.00 0.00 C ATOM 799 CG2 ILE A 60 -7.320 -7.656 -2.231 1.00 0.00 C ATOM 800 CD1 ILE A 60 -6.386 -6.796 -5.785 1.00 0.00 C ATOM 0 H ILE A 60 -3.850 -7.130 -3.895 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.682 -5.216 -2.737 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.763 -8.074 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.057 -6.875 -4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.053 -5.452 -4.271 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.031 -8.339 -2.697 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.805 -8.168 -1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.853 -6.791 -1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.954 -6.289 -6.565 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.362 -6.424 -5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.382 -7.869 -5.978 1.00 0.00 H new ATOM 812 N ILE A 61 -5.253 -5.544 -0.335 1.00 0.00 N ATOM 813 CA ILE A 61 -5.018 -5.686 1.092 1.00 0.00 C ATOM 814 C ILE A 61 -6.186 -6.409 1.750 1.00 0.00 C ATOM 815 O ILE A 61 -7.348 -6.077 1.505 1.00 0.00 O ATOM 816 CB ILE A 61 -4.806 -4.311 1.767 1.00 0.00 C ATOM 817 CG1 ILE A 61 -3.513 -3.668 1.260 1.00 0.00 C ATOM 818 CG2 ILE A 61 -4.768 -4.445 3.284 1.00 0.00 C ATOM 819 CD1 ILE A 61 -3.306 -2.253 1.756 1.00 0.00 C ATOM 0 H ILE A 61 -5.607 -4.629 -0.613 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.109 -6.274 1.222 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.648 -3.671 1.505 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.666 -4.280 1.570 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.522 -3.665 0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.618 -3.463 3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.711 -4.864 3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.948 -5.104 3.571 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.370 -1.861 1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.133 -1.626 1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.265 -2.252 2.845 1.00 0.00 H new ATOM 831 N ASN A 62 -5.872 -7.386 2.595 1.00 0.00 N ATOM 832 CA ASN A 62 -6.895 -8.193 3.259 1.00 0.00 C ATOM 833 C ASN A 62 -7.530 -7.456 4.441 1.00 0.00 C ATOM 834 O ASN A 62 -7.817 -8.059 5.478 1.00 0.00 O ATOM 835 CB ASN A 62 -6.302 -9.522 3.733 1.00 0.00 C ATOM 836 CG ASN A 62 -7.312 -10.653 3.690 1.00 0.00 C ATOM 837 OD1 ASN A 62 -8.291 -10.601 2.946 1.00 0.00 O ATOM 838 ND2 ASN A 62 -7.078 -11.684 4.484 1.00 0.00 N ATOM 0 H ASN A 62 -4.915 -7.640 2.838 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.679 -8.385 2.527 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.446 -9.778 3.108 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.931 -9.409 4.751 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -7.721 -12.476 4.495 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.254 -11.688 5.086 1.00 0.00 H new ATOM 845 N ALA A 63 -7.722 -6.149 4.275 1.00 0.00 N ATOM 846 CA ALA A 63 -8.431 -5.305 5.240 1.00 0.00 C ATOM 847 C ALA A 63 -7.740 -5.232 6.608 1.00 0.00 C ATOM 848 O ALA A 63 -6.951 -4.319 6.864 1.00 0.00 O ATOM 849 CB ALA A 63 -9.879 -5.764 5.393 1.00 0.00 C ATOM 0 H ALA A 63 -7.387 -5.639 3.458 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.414 -4.294 4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.389 -5.125 6.114 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.385 -5.700 4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.898 -6.795 5.745 1.00 0.00 H new ATOM 855 N ALA A 64 -8.018 -6.214 7.464 1.00 0.00 N ATOM 856 CA ALA A 64 -7.668 -6.141 8.884 1.00 0.00 C ATOM 857 C ALA A 64 -6.199 -6.463 9.161 1.00 0.00 C ATOM 858 O ALA A 64 -5.879 -7.263 10.044 1.00 0.00 O ATOM 859 CB ALA A 64 -8.572 -7.071 9.678 1.00 0.00 C ATOM 0 H ALA A 64 -8.489 -7.078 7.196 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.819 -5.109 9.199 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.311 -7.017 10.735 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.611 -6.770 9.544 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.442 -8.094 9.324 1.00 0.00 H new ATOM 865 N ASN A 65 -5.310 -5.840 8.409 1.00 0.00 N ATOM 866 CA ASN A 65 -3.882 -5.928 8.682 1.00 0.00 C ATOM 867 C ASN A 65 -3.249 -4.545 8.590 1.00 0.00 C ATOM 868 O ASN A 65 -2.063 -4.365 8.869 1.00 0.00 O ATOM 869 CB ASN A 65 -3.188 -6.911 7.732 1.00 0.00 C ATOM 870 CG ASN A 65 -3.260 -6.496 6.277 1.00 0.00 C ATOM 871 OD1 ASN A 65 -2.788 -5.425 5.894 1.00 0.00 O ATOM 872 ND2 ASN A 65 -3.843 -7.348 5.454 1.00 0.00 N ATOM 0 H ASN A 65 -5.550 -5.265 7.601 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.751 -6.310 9.695 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.142 -7.008 8.023 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.643 -7.895 7.844 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.915 -7.129 4.460 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.221 -8.225 5.812 1.00 0.00 H new ATOM 879 N CYS A 66 -4.048 -3.577 8.168 1.00 0.00 N ATOM 880 CA CYS A 66 -3.631 -2.186 8.183 1.00 0.00 C ATOM 881 C CYS A 66 -3.983 -1.565 9.528 1.00 0.00 C ATOM 882 O CYS A 66 -5.082 -1.775 10.045 1.00 0.00 O ATOM 883 CB CYS A 66 -4.298 -1.411 7.045 1.00 0.00 C ATOM 884 SG CYS A 66 -3.412 0.104 6.556 1.00 0.00 S ATOM 0 H CYS A 66 -4.991 -3.731 7.810 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.552 -2.137 8.037 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -4.385 -2.064 6.177 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.311 -1.145 7.346 1.00 0.00 H new ATOM 889 N VAL A 67 -3.053 -0.811 10.099 1.00 0.00 N ATOM 890 CA VAL A 67 -3.241 -0.267 11.438 1.00 0.00 C ATOM 891 C VAL A 67 -4.137 0.965 11.413 1.00 0.00 C ATOM 892 O VAL A 67 -5.081 1.070 12.201 1.00 0.00 O ATOM 893 CB VAL A 67 -1.901 0.100 12.116 1.00 0.00 C ATOM 894 CG1 VAL A 67 -1.830 -0.496 13.514 1.00 0.00 C ATOM 895 CG2 VAL A 67 -0.715 -0.358 11.277 1.00 0.00 C ATOM 0 H VAL A 67 -2.166 -0.563 9.660 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.719 -1.055 12.020 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.853 1.186 12.198 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.880 -0.228 13.976 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.650 -0.107 14.118 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.909 -1.581 13.451 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.213 -0.086 11.780 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.755 -1.440 11.150 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.753 0.123 10.300 1.00 0.00 H new ATOM 905 N ALA A 68 -3.855 1.887 10.506 1.00 0.00 N ATOM 906 CA ALA A 68 -4.606 3.127 10.432 1.00 0.00 C ATOM 907 C ALA A 68 -4.617 3.659 9.008 1.00 0.00 C ATOM 908 O ALA A 68 -3.686 3.332 8.249 1.00 0.00 O ATOM 909 CB ALA A 68 -4.016 4.158 11.382 1.00 0.00 C ATOM 910 OXT ALA A 68 -5.559 4.409 8.658 1.00 0.00 O ATOM 0 H ALA A 68 -3.112 1.799 9.812 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.635 2.928 10.731 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.589 5.083 11.316 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.057 3.778 12.403 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.979 4.353 11.109 1.00 0.00 H new