USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 738 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 99 ASN : amide:sc= -0.327 K(o=-0.46,f=1.3) USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= -0.134 USER MOD Set 2.1: A 66 LYS NZ :NH3+ 154:sc= 0.0819 (180deg=0) USER MOD Set 2.2: A 90 TYR OH : rot 180:sc= 0.0756 USER MOD Set 3.1: A 29 CYS SG : rot 109:sc= 0.147 USER MOD Set 3.2: A 115 MET CE :methyl 149:sc= -0.419 (180deg=-0.677) USER MOD Set 4.1: A 10 SER OG : rot -93:sc= 0.427 USER MOD Set 4.2: A 118 ASN : amide:sc= -4.27! C(o=-3.8!,f=-0.16!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.795 K(o=-0.8,f=-0.069) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.015 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -162:sc= -0.0351 (180deg=-0.561) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 65 ASN : amide:sc= -0.0718 X(o=-0.072,f=-0.072) USER MOD Single : A 70 MET CE :methyl -177:sc= -0.383 (180deg=-0.418) USER MOD Single : A 71 GLN : amide:sc= -0.142 K(o=-0.14,f=-0.76) USER MOD Single : A 75 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00451) USER MOD Single : A 83 SER OG : rot -170:sc= -0.365 USER MOD Single : A 85 THR OG1 : rot 94:sc= 0.0275 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0738 USER MOD Single : A 96 CYS SG : rot 66:sc= 0.923 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.0723 K(o=-0.072,f=-1.1) USER MOD Single : A 102 LYS NZ :NH3+ 140:sc= -0.251 (180deg=-1.62) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 MET CE :methyl 152:sc= -0.775 (180deg=-2.55) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N SER A 2 -1.036 -21.190 6.768 1.00 0.00 N ATOM 84 CA SER A 2 -1.162 -20.632 5.426 1.00 0.00 C ATOM 85 C SER A 2 -0.369 -19.335 5.301 1.00 0.00 C ATOM 86 O SER A 2 -0.512 -18.407 6.098 1.00 0.00 O ATOM 87 CB SER A 2 -2.633 -20.378 5.093 1.00 0.00 C ATOM 88 OG SER A 2 -3.329 -21.597 4.896 1.00 0.00 O ATOM 0 HA SER A 2 -0.756 -21.355 4.718 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.100 -19.815 5.901 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.705 -19.765 4.195 1.00 0.00 H new ATOM 0 HG SER A 2 -4.267 -21.408 4.686 1.00 0.00 H new ATOM 94 N PRO A 3 0.490 -19.264 4.275 1.00 0.00 N ATOM 95 CA PRO A 3 1.271 -18.033 4.120 1.00 0.00 C ATOM 96 C PRO A 3 0.410 -16.850 3.690 1.00 0.00 C ATOM 97 O PRO A 3 -0.582 -17.018 2.979 1.00 0.00 O ATOM 98 CB PRO A 3 2.278 -18.387 3.023 1.00 0.00 C ATOM 99 CG PRO A 3 1.621 -19.473 2.242 1.00 0.00 C ATOM 100 CD PRO A 3 0.799 -20.254 3.229 1.00 0.00 C ATOM 0 HA PRO A 3 1.732 -17.723 5.058 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.498 -17.524 2.394 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.225 -18.722 3.447 1.00 0.00 H new ATOM 0 HG2 PRO A 3 0.994 -19.061 1.452 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.362 -20.111 1.761 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -0.107 -20.652 2.772 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.353 -21.103 3.630 1.00 0.00 H new ATOM 108 N PHE A 4 0.794 -15.655 4.125 1.00 0.00 N ATOM 109 CA PHE A 4 0.057 -14.444 3.785 1.00 0.00 C ATOM 110 C PHE A 4 0.980 -13.401 3.162 1.00 0.00 C ATOM 111 O PHE A 4 2.158 -13.665 2.918 1.00 0.00 O ATOM 112 CB PHE A 4 -0.617 -13.866 5.031 1.00 0.00 C ATOM 113 CG PHE A 4 0.344 -13.216 5.985 1.00 0.00 C ATOM 114 CD1 PHE A 4 1.266 -13.977 6.686 1.00 0.00 C ATOM 115 CD2 PHE A 4 0.325 -11.845 6.183 1.00 0.00 C ATOM 116 CE1 PHE A 4 2.152 -13.383 7.565 1.00 0.00 C ATOM 117 CE2 PHE A 4 1.208 -11.245 7.060 1.00 0.00 C ATOM 118 CZ PHE A 4 2.122 -12.015 7.752 1.00 0.00 C ATOM 0 H PHE A 4 1.612 -15.499 4.714 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.708 -14.707 3.055 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.363 -13.133 4.724 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.148 -14.664 5.550 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.293 -15.047 6.544 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.388 -11.238 5.645 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.866 -13.987 8.104 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.183 -10.175 7.204 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.813 -11.548 8.439 1.00 0.00 H new ATOM 128 N LEU A 5 0.437 -12.216 2.906 1.00 0.00 N ATOM 129 CA LEU A 5 1.211 -11.132 2.311 1.00 0.00 C ATOM 130 C LEU A 5 1.051 -9.845 3.113 1.00 0.00 C ATOM 131 O LEU A 5 -0.067 -9.405 3.382 1.00 0.00 O ATOM 132 CB LEU A 5 0.774 -10.903 0.863 1.00 0.00 C ATOM 133 CG LEU A 5 1.573 -11.649 -0.206 1.00 0.00 C ATOM 134 CD1 LEU A 5 1.000 -11.377 -1.588 1.00 0.00 C ATOM 135 CD2 LEU A 5 3.041 -11.254 -0.148 1.00 0.00 C ATOM 0 H LEU A 5 -0.536 -11.981 3.101 1.00 0.00 H new ATOM 0 HA LEU A 5 2.263 -11.418 2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.274 -11.190 0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.832 -9.835 0.652 1.00 0.00 H new ATOM 0 HG LEU A 5 1.497 -12.718 -0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.582 -11.916 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.037 -11.711 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.044 -10.308 -1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.594 -11.795 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.136 -10.182 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.446 -11.502 0.833 1.00 0.00 H new ATOM 147 N ARG A 6 2.175 -9.245 3.489 1.00 0.00 N ATOM 148 CA ARG A 6 2.159 -8.007 4.259 1.00 0.00 C ATOM 149 C ARG A 6 2.470 -6.808 3.368 1.00 0.00 C ATOM 150 O ARG A 6 3.633 -6.459 3.164 1.00 0.00 O ATOM 151 CB ARG A 6 3.171 -8.080 5.404 1.00 0.00 C ATOM 152 CG ARG A 6 3.289 -6.789 6.198 1.00 0.00 C ATOM 153 CD ARG A 6 3.643 -7.059 7.652 1.00 0.00 C ATOM 154 NE ARG A 6 5.085 -7.028 7.878 1.00 0.00 N ATOM 155 CZ ARG A 6 5.654 -7.339 9.038 1.00 0.00 C ATOM 156 NH1 ARG A 6 4.906 -7.703 10.070 1.00 0.00 N ATOM 157 NH2 ARG A 6 6.974 -7.287 9.166 1.00 0.00 N ATOM 0 H ARG A 6 3.108 -9.596 3.273 1.00 0.00 H new ATOM 0 HA ARG A 6 1.159 -7.880 4.674 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.885 -8.887 6.079 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.149 -8.337 4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.052 -6.153 5.749 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.347 -6.242 6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.160 -6.316 8.287 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.251 -8.033 7.946 1.00 0.00 H new ATOM 0 HE ARG A 6 5.689 -6.753 7.103 1.00 0.00 H new ATOM 0 HH11 ARG A 6 3.891 -7.745 9.975 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.345 -7.941 10.959 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.553 -7.008 8.374 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.410 -7.526 10.057 1.00 0.00 H new ATOM 171 N ILE A 7 1.423 -6.183 2.840 1.00 0.00 N ATOM 172 CA ILE A 7 1.584 -5.023 1.972 1.00 0.00 C ATOM 173 C ILE A 7 1.590 -3.729 2.778 1.00 0.00 C ATOM 174 O ILE A 7 0.733 -3.515 3.634 1.00 0.00 O ATOM 175 CB ILE A 7 0.466 -4.952 0.915 1.00 0.00 C ATOM 176 CG1 ILE A 7 0.469 -6.215 0.051 1.00 0.00 C ATOM 177 CG2 ILE A 7 0.634 -3.711 0.050 1.00 0.00 C ATOM 178 CD1 ILE A 7 -0.334 -7.352 0.641 1.00 0.00 C ATOM 0 H ILE A 7 0.454 -6.460 2.998 1.00 0.00 H new ATOM 0 HA ILE A 7 2.543 -5.137 1.467 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.494 -4.888 1.427 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.071 -5.972 -0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.498 -6.544 -0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.163 -3.674 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.587 -2.821 0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.599 -3.748 -0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.287 -8.214 -0.024 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.078 -7.622 1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.372 -7.041 0.760 1.00 0.00 H new ATOM 190 N GLY A 8 2.563 -2.867 2.496 1.00 0.00 N ATOM 191 CA GLY A 8 2.662 -1.603 3.203 1.00 0.00 C ATOM 192 C GLY A 8 2.744 -0.418 2.261 1.00 0.00 C ATOM 193 O GLY A 8 3.327 -0.513 1.180 1.00 0.00 O ATOM 0 H GLY A 8 3.284 -3.021 1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.796 -1.486 3.855 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.544 -1.616 3.843 1.00 0.00 H new ATOM 197 N LEU A 9 2.157 0.702 2.670 1.00 0.00 N ATOM 198 CA LEU A 9 2.165 1.911 1.855 1.00 0.00 C ATOM 199 C LEU A 9 3.055 2.982 2.477 1.00 0.00 C ATOM 200 O LEU A 9 2.968 3.258 3.673 1.00 0.00 O ATOM 201 CB LEU A 9 0.742 2.448 1.690 1.00 0.00 C ATOM 202 CG LEU A 9 -0.252 1.515 0.997 1.00 0.00 C ATOM 203 CD1 LEU A 9 -1.652 2.108 1.027 1.00 0.00 C ATOM 204 CD2 LEU A 9 0.183 1.243 -0.436 1.00 0.00 C ATOM 0 H LEU A 9 1.670 0.797 3.561 1.00 0.00 H new ATOM 0 HA LEU A 9 2.567 1.655 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.351 2.694 2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.790 3.379 1.125 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.269 0.568 1.537 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.345 1.430 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.964 2.251 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.651 3.069 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.536 0.577 -0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.230 2.183 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.167 0.774 -0.435 1.00 0.00 H new ATOM 216 N SER A 10 3.911 3.583 1.656 1.00 0.00 N ATOM 217 CA SER A 10 4.819 4.622 2.125 1.00 0.00 C ATOM 218 C SER A 10 5.098 5.639 1.023 1.00 0.00 C ATOM 219 O SER A 10 4.983 5.332 -0.163 1.00 0.00 O ATOM 220 CB SER A 10 6.132 4.002 2.607 1.00 0.00 C ATOM 221 OG SER A 10 6.455 2.844 1.856 1.00 0.00 O ATOM 0 H SER A 10 3.994 3.368 0.662 1.00 0.00 H new ATOM 0 HA SER A 10 4.341 5.138 2.958 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.936 4.732 2.519 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.050 3.743 3.663 1.00 0.00 H new ATOM 0 HG SER A 10 6.108 2.050 2.314 1.00 0.00 H new ATOM 227 N ASN A 11 5.464 6.852 1.424 1.00 0.00 N ATOM 228 CA ASN A 11 5.759 7.916 0.471 1.00 0.00 C ATOM 229 C ASN A 11 4.607 8.100 -0.512 1.00 0.00 C ATOM 230 O ASN A 11 4.814 8.164 -1.724 1.00 0.00 O ATOM 231 CB ASN A 11 7.049 7.603 -0.292 1.00 0.00 C ATOM 232 CG ASN A 11 8.236 7.414 0.633 1.00 0.00 C ATOM 233 OD1 ASN A 11 8.999 8.348 0.880 1.00 0.00 O ATOM 234 ND2 ASN A 11 8.396 6.202 1.150 1.00 0.00 N ATOM 0 H ASN A 11 5.563 7.123 2.402 1.00 0.00 H new ATOM 0 HA ASN A 11 5.890 8.843 1.029 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.907 6.700 -0.886 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.261 8.413 -0.990 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.176 6.015 1.780 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.739 5.457 0.917 1.00 0.00 H new ATOM 241 N PHE A 12 3.392 8.187 0.019 1.00 0.00 N ATOM 242 CA PHE A 12 2.205 8.364 -0.810 1.00 0.00 C ATOM 243 C PHE A 12 2.249 9.702 -1.543 1.00 0.00 C ATOM 244 O PHE A 12 2.657 10.718 -0.980 1.00 0.00 O ATOM 245 CB PHE A 12 0.941 8.281 0.047 1.00 0.00 C ATOM 246 CG PHE A 12 -0.315 8.626 -0.702 1.00 0.00 C ATOM 247 CD1 PHE A 12 -0.586 8.045 -1.931 1.00 0.00 C ATOM 248 CD2 PHE A 12 -1.224 9.530 -0.177 1.00 0.00 C ATOM 249 CE1 PHE A 12 -1.740 8.361 -2.622 1.00 0.00 C ATOM 250 CE2 PHE A 12 -2.380 9.849 -0.864 1.00 0.00 C ATOM 251 CZ PHE A 12 -2.639 9.264 -2.088 1.00 0.00 C ATOM 0 H PHE A 12 3.203 8.138 1.020 1.00 0.00 H new ATOM 0 HA PHE A 12 2.187 7.564 -1.550 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.849 7.272 0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.044 8.954 0.898 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.112 7.338 -2.353 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.027 9.991 0.780 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.939 7.902 -3.579 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.081 10.555 -0.444 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.542 9.512 -2.626 1.00 0.00 H new ATOM 261 N ASP A 13 1.828 9.693 -2.803 1.00 0.00 N ATOM 262 CA ASP A 13 1.818 10.904 -3.615 1.00 0.00 C ATOM 263 C ASP A 13 0.469 11.086 -4.303 1.00 0.00 C ATOM 264 O ASP A 13 -0.035 10.171 -4.955 1.00 0.00 O ATOM 265 CB ASP A 13 2.935 10.853 -4.659 1.00 0.00 C ATOM 266 CG ASP A 13 2.910 12.048 -5.592 1.00 0.00 C ATOM 267 OD1 ASP A 13 2.679 13.175 -5.107 1.00 0.00 O ATOM 268 OD2 ASP A 13 3.122 11.855 -6.808 1.00 0.00 O ATOM 0 H ASP A 13 1.489 8.860 -3.284 1.00 0.00 H new ATOM 0 HA ASP A 13 1.987 11.755 -2.956 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.900 10.811 -4.153 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.841 9.938 -5.243 1.00 0.00 H new ATOM 273 N CYS A 14 -0.110 12.272 -4.153 1.00 0.00 N ATOM 274 CA CYS A 14 -1.402 12.574 -4.758 1.00 0.00 C ATOM 275 C CYS A 14 -1.252 13.601 -5.876 1.00 0.00 C ATOM 276 O CYS A 14 -2.030 13.614 -6.830 1.00 0.00 O ATOM 277 CB CYS A 14 -2.376 13.093 -3.700 1.00 0.00 C ATOM 278 SG CYS A 14 -1.813 14.584 -2.846 1.00 0.00 S ATOM 0 H CYS A 14 0.295 13.040 -3.618 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.799 11.653 -5.186 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.335 13.300 -4.175 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.547 12.308 -2.963 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.705 14.947 -1.973 1.00 0.00 H new ATOM 431 N PRO A 27 -7.870 12.343 4.496 1.00 0.00 N ATOM 432 CA PRO A 27 -7.859 11.427 3.352 1.00 0.00 C ATOM 433 C PRO A 27 -7.510 9.999 3.756 1.00 0.00 C ATOM 434 O PRO A 27 -6.539 9.767 4.477 1.00 0.00 O ATOM 435 CB PRO A 27 -6.772 12.006 2.443 1.00 0.00 C ATOM 436 CG PRO A 27 -5.870 12.755 3.362 1.00 0.00 C ATOM 437 CD PRO A 27 -6.749 13.297 4.455 1.00 0.00 C ATOM 0 HA PRO A 27 -8.838 11.357 2.877 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -6.235 11.217 1.916 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -7.198 12.662 1.684 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.099 12.102 3.770 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.359 13.562 2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.223 13.341 5.409 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.090 14.308 4.232 1.00 0.00 H new ATOM 445 N TYR A 28 -8.306 9.045 3.287 1.00 0.00 N ATOM 446 CA TYR A 28 -8.082 7.639 3.602 1.00 0.00 C ATOM 447 C TYR A 28 -7.991 6.803 2.329 1.00 0.00 C ATOM 448 O TYR A 28 -8.421 7.234 1.258 1.00 0.00 O ATOM 449 CB TYR A 28 -9.206 7.109 4.494 1.00 0.00 C ATOM 450 CG TYR A 28 -10.579 7.226 3.872 1.00 0.00 C ATOM 451 CD1 TYR A 28 -11.307 8.406 3.966 1.00 0.00 C ATOM 452 CD2 TYR A 28 -11.148 6.158 3.190 1.00 0.00 C ATOM 453 CE1 TYR A 28 -12.562 8.517 3.400 1.00 0.00 C ATOM 454 CE2 TYR A 28 -12.402 6.261 2.620 1.00 0.00 C ATOM 455 CZ TYR A 28 -13.105 7.442 2.728 1.00 0.00 C ATOM 456 OH TYR A 28 -14.355 7.550 2.162 1.00 0.00 O ATOM 0 H TYR A 28 -9.112 9.219 2.687 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.135 7.559 4.136 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -9.010 6.062 4.728 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.197 7.654 5.438 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -10.884 9.250 4.490 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.600 5.231 3.104 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -13.115 9.441 3.483 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -12.829 5.421 2.093 1.00 0.00 H new ATOM 0 HH TYR A 28 -14.590 6.705 1.725 1.00 0.00 H new ATOM 466 N CYS A 29 -7.429 5.606 2.454 1.00 0.00 N ATOM 467 CA CYS A 29 -7.281 4.708 1.313 1.00 0.00 C ATOM 468 C CYS A 29 -8.222 3.514 1.436 1.00 0.00 C ATOM 469 O CYS A 29 -8.280 2.861 2.477 1.00 0.00 O ATOM 470 CB CYS A 29 -5.834 4.224 1.204 1.00 0.00 C ATOM 471 SG CYS A 29 -4.769 5.299 0.215 1.00 0.00 S ATOM 0 H CYS A 29 -7.068 5.235 3.333 1.00 0.00 H new ATOM 0 HA CYS A 29 -7.541 5.260 0.410 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.415 4.138 2.206 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.828 3.225 0.769 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.940 5.926 0.996 1.00 0.00 H new ATOM 477 N ALA A 30 -8.959 3.237 0.365 1.00 0.00 N ATOM 478 CA ALA A 30 -9.898 2.121 0.353 1.00 0.00 C ATOM 479 C ALA A 30 -9.302 0.911 -0.359 1.00 0.00 C ATOM 480 O ALA A 30 -8.995 0.968 -1.550 1.00 0.00 O ATOM 481 CB ALA A 30 -11.202 2.537 -0.311 1.00 0.00 C ATOM 0 H ALA A 30 -8.924 3.769 -0.505 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.103 1.838 1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.894 1.695 -0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.643 3.367 0.241 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.005 2.847 -1.337 1.00 0.00 H new ATOM 487 N VAL A 31 -9.141 -0.183 0.378 1.00 0.00 N ATOM 488 CA VAL A 31 -8.583 -1.407 -0.183 1.00 0.00 C ATOM 489 C VAL A 31 -9.664 -2.463 -0.384 1.00 0.00 C ATOM 490 O VAL A 31 -10.007 -3.201 0.541 1.00 0.00 O ATOM 491 CB VAL A 31 -7.478 -1.986 0.721 1.00 0.00 C ATOM 492 CG1 VAL A 31 -6.930 -3.278 0.134 1.00 0.00 C ATOM 493 CG2 VAL A 31 -6.366 -0.968 0.921 1.00 0.00 C ATOM 0 H VAL A 31 -9.389 -0.247 1.365 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.152 -1.144 -1.149 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.911 -2.213 1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.151 -3.672 0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.735 -4.008 0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.512 -3.081 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.594 -1.394 1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.933 -0.708 -0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.773 -0.072 1.389 1.00 0.00 H new ATOM 503 N LEU A 32 -10.199 -2.530 -1.598 1.00 0.00 N ATOM 504 CA LEU A 32 -11.242 -3.496 -1.922 1.00 0.00 C ATOM 505 C LEU A 32 -10.637 -4.834 -2.334 1.00 0.00 C ATOM 506 O LEU A 32 -9.786 -4.896 -3.221 1.00 0.00 O ATOM 507 CB LEU A 32 -12.132 -2.959 -3.045 1.00 0.00 C ATOM 508 CG LEU A 32 -12.932 -1.697 -2.722 1.00 0.00 C ATOM 509 CD1 LEU A 32 -12.062 -0.459 -2.881 1.00 0.00 C ATOM 510 CD2 LEU A 32 -14.163 -1.604 -3.611 1.00 0.00 C ATOM 0 H LEU A 32 -9.927 -1.927 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.848 -3.651 -1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.505 -2.755 -3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.831 -3.744 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.262 -1.754 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.648 0.430 -2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.212 -0.522 -2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.702 -0.397 -3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.720 -0.700 -3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.855 -1.570 -4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.797 -2.476 -3.448 1.00 0.00 H new ATOM 522 N VAL A 33 -11.083 -5.905 -1.684 1.00 0.00 N ATOM 523 CA VAL A 33 -10.588 -7.243 -1.985 1.00 0.00 C ATOM 524 C VAL A 33 -11.708 -8.142 -2.494 1.00 0.00 C ATOM 525 O VAL A 33 -12.807 -8.158 -1.939 1.00 0.00 O ATOM 526 CB VAL A 33 -9.944 -7.894 -0.746 1.00 0.00 C ATOM 527 CG1 VAL A 33 -9.409 -9.277 -1.087 1.00 0.00 C ATOM 528 CG2 VAL A 33 -8.839 -7.008 -0.192 1.00 0.00 C ATOM 0 H VAL A 33 -11.786 -5.872 -0.946 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.833 -7.134 -2.763 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.708 -8.005 0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.958 -9.721 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.227 -9.909 -1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.658 -9.193 -1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.395 -7.484 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.073 -6.863 -0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.256 -6.042 0.093 1.00 0.00 H new ATOM 538 N LYS A 34 -11.423 -8.892 -3.553 1.00 0.00 N ATOM 539 CA LYS A 34 -12.406 -9.796 -4.138 1.00 0.00 C ATOM 540 C LYS A 34 -11.845 -11.211 -4.248 1.00 0.00 C ATOM 541 O LYS A 34 -10.636 -11.400 -4.373 1.00 0.00 O ATOM 542 CB LYS A 34 -12.832 -9.296 -5.520 1.00 0.00 C ATOM 543 CG LYS A 34 -13.314 -7.855 -5.523 1.00 0.00 C ATOM 544 CD LYS A 34 -12.164 -6.883 -5.727 1.00 0.00 C ATOM 545 CE LYS A 34 -12.626 -5.611 -6.421 1.00 0.00 C ATOM 546 NZ LYS A 34 -12.717 -5.786 -7.897 1.00 0.00 N ATOM 0 H LYS A 34 -10.518 -8.892 -4.024 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.277 -9.818 -3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.991 -9.390 -6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.627 -9.937 -5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.051 -7.719 -6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.814 -7.636 -4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.722 -6.633 -4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.384 -7.360 -6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.600 -5.317 -6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.933 -4.801 -6.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.035 -4.897 -8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.782 -6.042 -8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.397 -6.542 -8.116 1.00 0.00 H new ATOM 809 N PRO A 50 -15.405 -6.591 2.235 1.00 0.00 N ATOM 810 CA PRO A 50 -15.746 -5.201 1.915 1.00 0.00 C ATOM 811 C PRO A 50 -14.522 -4.292 1.907 1.00 0.00 C ATOM 812 O PRO A 50 -13.396 -4.745 2.117 1.00 0.00 O ATOM 813 CB PRO A 50 -16.701 -4.801 3.042 1.00 0.00 C ATOM 814 CG PRO A 50 -16.342 -5.695 4.179 1.00 0.00 C ATOM 815 CD PRO A 50 -15.903 -6.994 3.561 1.00 0.00 C ATOM 0 HA PRO A 50 -16.178 -5.106 0.919 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -16.579 -3.752 3.310 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -17.741 -4.936 2.746 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.544 -5.260 4.781 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -17.195 -5.846 4.841 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.125 -7.477 4.152 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -16.729 -7.701 3.482 1.00 0.00 H new ATOM 823 N THR A 51 -14.749 -3.004 1.662 1.00 0.00 N ATOM 824 CA THR A 51 -13.664 -2.031 1.626 1.00 0.00 C ATOM 825 C THR A 51 -12.845 -2.072 2.911 1.00 0.00 C ATOM 826 O THR A 51 -13.371 -2.368 3.984 1.00 0.00 O ATOM 827 CB THR A 51 -14.200 -0.602 1.417 1.00 0.00 C ATOM 828 OG1 THR A 51 -15.133 -0.582 0.332 1.00 0.00 O ATOM 829 CG2 THR A 51 -13.061 0.366 1.130 1.00 0.00 C ATOM 0 H THR A 51 -15.674 -2.612 1.486 1.00 0.00 H new ATOM 0 HA THR A 51 -13.026 -2.299 0.784 1.00 0.00 H new ATOM 0 HB THR A 51 -14.702 -0.289 2.333 1.00 0.00 H new ATOM 0 HG1 THR A 51 -15.470 0.330 0.207 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.463 1.369 0.986 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.367 0.371 1.971 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.536 0.053 0.228 1.00 0.00 H new ATOM 837 N MET A 52 -11.556 -1.772 2.795 1.00 0.00 N ATOM 838 CA MET A 52 -10.665 -1.773 3.949 1.00 0.00 C ATOM 839 C MET A 52 -9.976 -0.421 4.105 1.00 0.00 C ATOM 840 O MET A 52 -9.942 0.381 3.171 1.00 0.00 O ATOM 841 CB MET A 52 -9.617 -2.879 3.811 1.00 0.00 C ATOM 842 CG MET A 52 -10.067 -4.216 4.379 1.00 0.00 C ATOM 843 SD MET A 52 -8.683 -5.303 4.774 1.00 0.00 S ATOM 844 CE MET A 52 -7.669 -5.105 3.311 1.00 0.00 C ATOM 0 H MET A 52 -11.105 -1.525 1.914 1.00 0.00 H new ATOM 0 HA MET A 52 -11.265 -1.960 4.839 1.00 0.00 H new ATOM 0 HB2 MET A 52 -9.371 -3.006 2.757 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.703 -2.568 4.317 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.657 -4.044 5.279 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.719 -4.711 3.660 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.957 -5.928 3.247 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.304 -5.105 2.425 1.00 0.00 H new ATOM 0 HE3 MET A 52 -7.127 -4.161 3.369 1.00 0.00 H new ATOM 854 N TYR A 53 -9.428 -0.174 5.290 1.00 0.00 N ATOM 855 CA TYR A 53 -8.743 1.082 5.569 1.00 0.00 C ATOM 856 C TYR A 53 -7.394 0.830 6.235 1.00 0.00 C ATOM 857 O TYR A 53 -7.255 0.866 7.458 1.00 0.00 O ATOM 858 CB TYR A 53 -9.607 1.972 6.463 1.00 0.00 C ATOM 859 CG TYR A 53 -11.001 2.202 5.922 1.00 0.00 C ATOM 860 CD1 TYR A 53 -11.196 2.803 4.684 1.00 0.00 C ATOM 861 CD2 TYR A 53 -12.121 1.820 6.649 1.00 0.00 C ATOM 862 CE1 TYR A 53 -12.467 3.016 4.186 1.00 0.00 C ATOM 863 CE2 TYR A 53 -13.396 2.028 6.158 1.00 0.00 C ATOM 864 CZ TYR A 53 -13.563 2.627 4.927 1.00 0.00 C ATOM 865 OH TYR A 53 -14.831 2.837 4.435 1.00 0.00 O ATOM 0 H TYR A 53 -9.445 -0.828 6.073 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.571 1.590 4.620 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.680 1.518 7.451 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.112 2.935 6.590 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.339 3.109 4.101 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.993 1.353 7.614 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -12.601 3.484 3.222 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.257 1.723 6.735 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.491 2.505 5.079 1.00 0.00 H new ATOM 875 N PRO A 54 -6.368 0.568 5.412 1.00 0.00 N ATOM 876 CA PRO A 54 -5.054 0.322 6.013 1.00 0.00 C ATOM 877 C PRO A 54 -4.451 1.581 6.625 1.00 0.00 C ATOM 878 O PRO A 54 -4.781 2.706 6.250 1.00 0.00 O ATOM 879 CB PRO A 54 -4.207 -0.156 4.831 1.00 0.00 C ATOM 880 CG PRO A 54 -4.862 0.437 3.631 1.00 0.00 C ATOM 881 CD PRO A 54 -6.332 0.482 3.942 1.00 0.00 C ATOM 0 HA PRO A 54 -5.109 -0.394 6.833 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.174 0.178 4.924 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.186 -1.244 4.773 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.475 1.436 3.429 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.669 -0.165 2.743 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.815 1.342 3.477 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.847 -0.407 3.579 1.00 0.00 H new ATOM 889 N PRO A 55 -3.542 1.393 7.593 1.00 0.00 N ATOM 890 CA PRO A 55 -2.940 2.580 8.206 1.00 0.00 C ATOM 891 C PRO A 55 -2.006 3.315 7.250 1.00 0.00 C ATOM 892 O PRO A 55 -1.793 2.880 6.118 1.00 0.00 O ATOM 893 CB PRO A 55 -2.153 2.009 9.388 1.00 0.00 C ATOM 894 CG PRO A 55 -1.853 0.602 8.999 1.00 0.00 C ATOM 895 CD PRO A 55 -3.023 0.143 8.173 1.00 0.00 C ATOM 0 HA PRO A 55 -3.691 3.316 8.492 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.238 2.575 9.565 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.736 2.050 10.308 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.926 0.544 8.429 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.726 -0.028 9.879 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.717 -0.562 7.400 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.774 -0.359 8.783 1.00 0.00 H new ATOM 903 N TRP A 56 -1.451 4.429 7.712 1.00 0.00 N ATOM 904 CA TRP A 56 -0.539 5.224 6.897 1.00 0.00 C ATOM 905 C TRP A 56 0.910 4.977 7.304 1.00 0.00 C ATOM 906 O TRP A 56 1.230 4.923 8.491 1.00 0.00 O ATOM 907 CB TRP A 56 -0.871 6.711 7.026 1.00 0.00 C ATOM 908 CG TRP A 56 -1.857 7.190 6.004 1.00 0.00 C ATOM 909 CD1 TRP A 56 -3.041 7.828 6.243 1.00 0.00 C ATOM 910 CD2 TRP A 56 -1.745 7.068 4.582 1.00 0.00 C ATOM 911 NE1 TRP A 56 -3.671 8.110 5.054 1.00 0.00 N ATOM 912 CE2 TRP A 56 -2.896 7.654 4.021 1.00 0.00 C ATOM 913 CE3 TRP A 56 -0.783 6.522 3.728 1.00 0.00 C ATOM 914 CZ2 TRP A 56 -3.110 7.708 2.646 1.00 0.00 C ATOM 915 CZ3 TRP A 56 -0.996 6.575 2.363 1.00 0.00 C ATOM 916 CH2 TRP A 56 -2.152 7.165 1.833 1.00 0.00 C ATOM 0 H TRP A 56 -1.616 4.803 8.647 1.00 0.00 H new ATOM 0 HA TRP A 56 -0.662 4.921 5.857 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -1.270 6.902 8.022 1.00 0.00 H new ATOM 0 HB3 TRP A 56 0.048 7.290 6.934 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.425 8.075 7.222 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -4.570 8.582 4.957 1.00 0.00 H new ATOM 0 HE3 TRP A 56 0.111 6.067 4.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -4.000 8.162 2.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -0.260 6.155 1.694 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.289 7.192 0.762 1.00 0.00 H new ATOM 927 N ASP A 57 1.781 4.828 6.312 1.00 0.00 N ATOM 928 CA ASP A 57 3.196 4.589 6.567 1.00 0.00 C ATOM 929 C ASP A 57 3.390 3.349 7.434 1.00 0.00 C ATOM 930 O ASP A 57 4.386 3.226 8.146 1.00 0.00 O ATOM 931 CB ASP A 57 3.827 5.805 7.246 1.00 0.00 C ATOM 932 CG ASP A 57 3.969 6.985 6.305 1.00 0.00 C ATOM 933 OD1 ASP A 57 4.003 6.763 5.076 1.00 0.00 O ATOM 934 OD2 ASP A 57 4.048 8.130 6.796 1.00 0.00 O ATOM 0 H ASP A 57 1.532 4.869 5.324 1.00 0.00 H new ATOM 0 HA ASP A 57 3.689 4.422 5.609 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.217 6.097 8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.809 5.533 7.633 1.00 0.00 H new ATOM 939 N SER A 58 2.429 2.432 7.370 1.00 0.00 N ATOM 940 CA SER A 58 2.492 1.204 8.153 1.00 0.00 C ATOM 941 C SER A 58 2.284 -0.019 7.264 1.00 0.00 C ATOM 942 O SER A 58 2.099 0.103 6.053 1.00 0.00 O ATOM 943 CB SER A 58 1.438 1.227 9.262 1.00 0.00 C ATOM 944 OG SER A 58 1.939 1.855 10.429 1.00 0.00 O ATOM 0 H SER A 58 1.598 2.517 6.784 1.00 0.00 H new ATOM 0 HA SER A 58 3.483 1.140 8.603 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.551 1.755 8.914 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.131 0.208 9.497 1.00 0.00 H new ATOM 0 HG SER A 58 1.246 1.858 11.122 1.00 0.00 H new ATOM 950 N THR A 59 2.316 -1.199 7.875 1.00 0.00 N ATOM 951 CA THR A 59 2.133 -2.445 7.141 1.00 0.00 C ATOM 952 C THR A 59 0.927 -3.218 7.662 1.00 0.00 C ATOM 953 O THR A 59 0.697 -3.288 8.870 1.00 0.00 O ATOM 954 CB THR A 59 3.382 -3.340 7.233 1.00 0.00 C ATOM 955 OG1 THR A 59 4.048 -3.125 8.482 1.00 0.00 O ATOM 956 CG2 THR A 59 4.340 -3.054 6.086 1.00 0.00 C ATOM 0 H THR A 59 2.467 -1.318 8.877 1.00 0.00 H new ATOM 0 HA THR A 59 1.965 -2.176 6.098 1.00 0.00 H new ATOM 0 HB THR A 59 3.062 -4.380 7.167 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.840 -3.699 8.533 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.215 -3.699 6.173 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.840 -3.247 5.137 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.653 -2.011 6.125 1.00 0.00 H new ATOM 964 N PHE A 60 0.161 -3.799 6.745 1.00 0.00 N ATOM 965 CA PHE A 60 -1.022 -4.569 7.113 1.00 0.00 C ATOM 966 C PHE A 60 -0.949 -5.983 6.547 1.00 0.00 C ATOM 967 O PHE A 60 -0.237 -6.239 5.576 1.00 0.00 O ATOM 968 CB PHE A 60 -2.287 -3.871 6.610 1.00 0.00 C ATOM 969 CG PHE A 60 -2.316 -3.683 5.120 1.00 0.00 C ATOM 970 CD1 PHE A 60 -2.751 -4.703 4.288 1.00 0.00 C ATOM 971 CD2 PHE A 60 -1.909 -2.487 4.551 1.00 0.00 C ATOM 972 CE1 PHE A 60 -2.777 -4.533 2.917 1.00 0.00 C ATOM 973 CE2 PHE A 60 -1.934 -2.312 3.180 1.00 0.00 C ATOM 974 CZ PHE A 60 -2.370 -3.336 2.362 1.00 0.00 C ATOM 0 H PHE A 60 0.338 -3.752 5.742 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.059 -4.634 8.200 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.158 -4.453 6.912 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.371 -2.897 7.093 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.073 -5.641 4.716 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.568 -1.682 5.186 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.116 -5.336 2.280 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.613 -1.375 2.749 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.393 -3.201 1.291 1.00 0.00 H new ATOM 984 N ASP A 61 -1.689 -6.899 7.161 1.00 0.00 N ATOM 985 CA ASP A 61 -1.710 -8.289 6.719 1.00 0.00 C ATOM 986 C ASP A 61 -2.735 -8.490 5.608 1.00 0.00 C ATOM 987 O ASP A 61 -3.739 -7.782 5.540 1.00 0.00 O ATOM 988 CB ASP A 61 -2.024 -9.216 7.895 1.00 0.00 C ATOM 989 CG ASP A 61 -3.478 -9.139 8.319 1.00 0.00 C ATOM 990 OD1 ASP A 61 -4.033 -8.021 8.339 1.00 0.00 O ATOM 991 OD2 ASP A 61 -4.061 -10.199 8.630 1.00 0.00 O ATOM 0 H ASP A 61 -2.283 -6.704 7.967 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.723 -8.535 6.327 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.782 -10.243 7.620 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.387 -8.955 8.740 1.00 0.00 H new ATOM 996 N ALA A 62 -2.473 -9.461 4.738 1.00 0.00 N ATOM 997 CA ALA A 62 -3.373 -9.756 3.630 1.00 0.00 C ATOM 998 C ALA A 62 -3.257 -11.215 3.203 1.00 0.00 C ATOM 999 O ALA A 62 -2.263 -11.619 2.599 1.00 0.00 O ATOM 1000 CB ALA A 62 -3.083 -8.835 2.454 1.00 0.00 C ATOM 0 H ALA A 62 -1.645 -10.056 4.780 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.395 -9.583 3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.763 -9.067 1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.224 -7.798 2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.054 -8.979 2.124 1.00 0.00 H new ATOM 1006 N HIS A 63 -4.280 -12.003 3.520 1.00 0.00 N ATOM 1007 CA HIS A 63 -4.292 -13.419 3.168 1.00 0.00 C ATOM 1008 C HIS A 63 -4.082 -13.608 1.669 1.00 0.00 C ATOM 1009 O HIS A 63 -4.461 -12.754 0.867 1.00 0.00 O ATOM 1010 CB HIS A 63 -5.613 -14.060 3.595 1.00 0.00 C ATOM 1011 CG HIS A 63 -5.754 -14.212 5.078 1.00 0.00 C ATOM 1012 ND1 HIS A 63 -6.095 -13.169 5.912 1.00 0.00 N ATOM 1013 CD2 HIS A 63 -5.598 -15.295 5.876 1.00 0.00 C ATOM 1014 CE1 HIS A 63 -6.142 -13.603 7.159 1.00 0.00 C ATOM 1015 NE2 HIS A 63 -5.845 -14.890 7.164 1.00 0.00 N ATOM 0 H HIS A 63 -5.111 -11.685 4.020 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.472 -13.907 3.696 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.439 -13.455 3.220 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.699 -15.041 3.128 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.329 -16.292 5.558 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -6.382 -13.007 8.027 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -5.806 -15.486 7.991 1.00 0.00 H new ATOM 1023 N ILE A 64 -3.475 -14.731 1.299 1.00 0.00 N ATOM 1024 CA ILE A 64 -3.215 -15.031 -0.104 1.00 0.00 C ATOM 1025 C ILE A 64 -4.227 -16.034 -0.648 1.00 0.00 C ATOM 1026 O ILE A 64 -4.644 -16.953 0.056 1.00 0.00 O ATOM 1027 CB ILE A 64 -1.795 -15.591 -0.305 1.00 0.00 C ATOM 1028 CG1 ILE A 64 -0.753 -14.592 0.202 1.00 0.00 C ATOM 1029 CG2 ILE A 64 -1.556 -15.914 -1.773 1.00 0.00 C ATOM 1030 CD1 ILE A 64 0.626 -15.191 0.374 1.00 0.00 C ATOM 0 H ILE A 64 -3.154 -15.447 1.950 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.308 -14.092 -0.651 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.699 -16.512 0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.693 -13.757 -0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.086 -14.186 1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.548 -16.309 -1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.281 -16.657 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.668 -15.007 -2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.313 -14.426 0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.581 -16.008 1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.979 -15.572 -0.584 1.00 0.00 H new ATOM 1042 N ASN A 65 -4.615 -15.852 -1.906 1.00 0.00 N ATOM 1043 CA ASN A 65 -5.577 -16.742 -2.545 1.00 0.00 C ATOM 1044 C ASN A 65 -5.407 -16.728 -4.061 1.00 0.00 C ATOM 1045 O ASN A 65 -5.082 -15.697 -4.651 1.00 0.00 O ATOM 1046 CB ASN A 65 -7.005 -16.333 -2.177 1.00 0.00 C ATOM 1047 CG ASN A 65 -7.500 -17.029 -0.924 1.00 0.00 C ATOM 1048 OD1 ASN A 65 -7.609 -16.415 0.138 1.00 0.00 O ATOM 1049 ND2 ASN A 65 -7.804 -18.316 -1.043 1.00 0.00 N ATOM 0 H ASN A 65 -4.278 -15.097 -2.503 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.392 -17.754 -2.185 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.045 -15.254 -2.030 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.672 -16.566 -3.007 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.144 -18.837 -0.234 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.698 -18.784 -1.943 1.00 0.00 H new ATOM 1056 N LYS A 66 -5.629 -17.879 -4.687 1.00 0.00 N ATOM 1057 CA LYS A 66 -5.503 -18.000 -6.135 1.00 0.00 C ATOM 1058 C LYS A 66 -6.489 -17.079 -6.846 1.00 0.00 C ATOM 1059 O LYS A 66 -7.685 -17.092 -6.557 1.00 0.00 O ATOM 1060 CB LYS A 66 -5.737 -19.449 -6.568 1.00 0.00 C ATOM 1061 CG LYS A 66 -4.589 -20.381 -6.222 1.00 0.00 C ATOM 1062 CD LYS A 66 -4.693 -21.697 -6.975 1.00 0.00 C ATOM 1063 CE LYS A 66 -4.320 -21.531 -8.440 1.00 0.00 C ATOM 1064 NZ LYS A 66 -2.854 -21.670 -8.658 1.00 0.00 N ATOM 0 H LYS A 66 -5.897 -18.742 -4.214 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.492 -17.703 -6.413 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.648 -19.818 -6.096 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.903 -19.475 -7.645 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.642 -19.898 -6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.586 -20.574 -5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.037 -22.435 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.710 -22.082 -6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.848 -22.276 -9.036 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.648 -20.552 -8.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.677 -21.988 -9.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.392 -20.751 -8.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.468 -22.368 -7.990 1.00 0.00 H new ATOM 1078 N GLY A 67 -5.979 -16.281 -7.779 1.00 0.00 N ATOM 1079 CA GLY A 67 -6.830 -15.366 -8.518 1.00 0.00 C ATOM 1080 C GLY A 67 -7.296 -14.197 -7.673 1.00 0.00 C ATOM 1081 O GLY A 67 -8.282 -13.538 -8.003 1.00 0.00 O ATOM 0 H GLY A 67 -4.992 -16.252 -8.036 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.287 -14.990 -9.385 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.698 -15.907 -8.895 1.00 0.00 H new ATOM 1085 N ARG A 68 -6.586 -13.939 -6.579 1.00 0.00 N ATOM 1086 CA ARG A 68 -6.934 -12.844 -5.683 1.00 0.00 C ATOM 1087 C ARG A 68 -6.477 -11.506 -6.257 1.00 0.00 C ATOM 1088 O ARG A 68 -5.310 -11.335 -6.609 1.00 0.00 O ATOM 1089 CB ARG A 68 -6.304 -13.063 -4.307 1.00 0.00 C ATOM 1090 CG ARG A 68 -6.754 -12.053 -3.263 1.00 0.00 C ATOM 1091 CD ARG A 68 -8.014 -12.516 -2.548 1.00 0.00 C ATOM 1092 NE ARG A 68 -8.078 -12.020 -1.176 1.00 0.00 N ATOM 1093 CZ ARG A 68 -8.931 -12.479 -0.267 1.00 0.00 C ATOM 1094 NH1 ARG A 68 -9.788 -13.441 -0.584 1.00 0.00 N ATOM 1095 NH2 ARG A 68 -8.928 -11.978 0.961 1.00 0.00 N ATOM 0 H ARG A 68 -5.766 -14.474 -6.292 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.019 -12.824 -5.579 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.550 -14.066 -3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.219 -13.016 -4.402 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.957 -11.900 -2.536 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.938 -11.091 -3.741 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.890 -12.173 -3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.048 -13.605 -2.542 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.432 -11.280 -0.900 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.793 -13.829 -1.527 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.442 -13.792 0.115 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.270 -11.239 1.209 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.584 -12.332 1.658 1.00 0.00 H new ATOM 1109 N VAL A 69 -7.406 -10.559 -6.348 1.00 0.00 N ATOM 1110 CA VAL A 69 -7.099 -9.236 -6.879 1.00 0.00 C ATOM 1111 C VAL A 69 -7.407 -8.148 -5.855 1.00 0.00 C ATOM 1112 O VAL A 69 -8.433 -8.194 -5.177 1.00 0.00 O ATOM 1113 CB VAL A 69 -7.890 -8.951 -8.169 1.00 0.00 C ATOM 1114 CG1 VAL A 69 -7.585 -10.001 -9.226 1.00 0.00 C ATOM 1115 CG2 VAL A 69 -9.381 -8.893 -7.877 1.00 0.00 C ATOM 0 H VAL A 69 -8.377 -10.684 -6.061 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.033 -9.226 -7.106 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.581 -7.980 -8.557 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.153 -9.783 -10.130 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.519 -9.988 -9.455 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.864 -10.986 -8.851 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.925 -8.691 -8.800 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.708 -9.847 -7.465 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.580 -8.099 -7.157 1.00 0.00 H new ATOM 1125 N MET A 70 -6.513 -7.170 -5.751 1.00 0.00 N ATOM 1126 CA MET A 70 -6.692 -6.070 -4.812 1.00 0.00 C ATOM 1127 C MET A 70 -6.899 -4.752 -5.551 1.00 0.00 C ATOM 1128 O MET A 70 -6.257 -4.494 -6.569 1.00 0.00 O ATOM 1129 CB MET A 70 -5.480 -5.962 -3.883 1.00 0.00 C ATOM 1130 CG MET A 70 -5.486 -4.712 -3.019 1.00 0.00 C ATOM 1131 SD MET A 70 -4.444 -4.873 -1.557 1.00 0.00 S ATOM 1132 CE MET A 70 -2.850 -5.188 -2.310 1.00 0.00 C ATOM 0 H MET A 70 -5.658 -7.117 -6.305 1.00 0.00 H new ATOM 0 HA MET A 70 -7.581 -6.275 -4.216 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.448 -6.840 -3.237 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.570 -5.974 -4.483 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.145 -3.864 -3.612 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.508 -4.494 -2.710 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.108 -5.364 -1.531 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.918 -6.067 -2.951 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.553 -4.326 -2.907 1.00 0.00 H new ATOM 1142 N GLN A 71 -7.799 -3.922 -5.033 1.00 0.00 N ATOM 1143 CA GLN A 71 -8.090 -2.632 -5.646 1.00 0.00 C ATOM 1144 C GLN A 71 -7.949 -1.502 -4.630 1.00 0.00 C ATOM 1145 O GLN A 71 -8.759 -1.376 -3.712 1.00 0.00 O ATOM 1146 CB GLN A 71 -9.502 -2.630 -6.235 1.00 0.00 C ATOM 1147 CG GLN A 71 -9.805 -1.407 -7.085 1.00 0.00 C ATOM 1148 CD GLN A 71 -11.243 -1.371 -7.563 1.00 0.00 C ATOM 1149 OE1 GLN A 71 -12.159 -1.763 -6.841 1.00 0.00 O ATOM 1150 NE2 GLN A 71 -11.448 -0.898 -8.787 1.00 0.00 N ATOM 0 H GLN A 71 -8.339 -4.120 -4.191 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.369 -2.468 -6.447 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.635 -3.526 -6.842 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.226 -2.685 -5.422 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.595 -0.507 -6.507 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.139 -1.395 -7.948 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.658 -0.584 -9.351 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.395 -0.849 -9.163 1.00 0.00 H new ATOM 1159 N ILE A 72 -6.915 -0.686 -4.801 1.00 0.00 N ATOM 1160 CA ILE A 72 -6.669 0.433 -3.900 1.00 0.00 C ATOM 1161 C ILE A 72 -7.194 1.738 -4.488 1.00 0.00 C ATOM 1162 O ILE A 72 -6.670 2.237 -5.484 1.00 0.00 O ATOM 1163 CB ILE A 72 -5.167 0.589 -3.593 1.00 0.00 C ATOM 1164 CG1 ILE A 72 -4.616 -0.695 -2.970 1.00 0.00 C ATOM 1165 CG2 ILE A 72 -4.936 1.774 -2.668 1.00 0.00 C ATOM 1166 CD1 ILE A 72 -3.106 -0.727 -2.888 1.00 0.00 C ATOM 0 H ILE A 72 -6.234 -0.779 -5.555 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.200 0.215 -2.974 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.637 0.774 -4.528 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.029 -0.809 -1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.958 -1.549 -3.555 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.870 1.871 -2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.297 2.685 -3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.475 1.617 -1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.786 -1.666 -2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.685 -0.645 -3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.757 0.107 -2.278 1.00 0.00 H new ATOM 1178 N ILE A 73 -8.230 2.287 -3.863 1.00 0.00 N ATOM 1179 CA ILE A 73 -8.825 3.536 -4.323 1.00 0.00 C ATOM 1180 C ILE A 73 -8.666 4.637 -3.280 1.00 0.00 C ATOM 1181 O ILE A 73 -9.170 4.526 -2.162 1.00 0.00 O ATOM 1182 CB ILE A 73 -10.320 3.363 -4.646 1.00 0.00 C ATOM 1183 CG1 ILE A 73 -10.512 2.286 -5.716 1.00 0.00 C ATOM 1184 CG2 ILE A 73 -10.920 4.684 -5.103 1.00 0.00 C ATOM 1185 CD1 ILE A 73 -11.956 1.883 -5.915 1.00 0.00 C ATOM 0 H ILE A 73 -8.675 1.887 -3.037 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.296 3.821 -5.233 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.837 3.045 -3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.111 2.650 -6.662 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.932 1.405 -5.441 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.978 4.545 -5.328 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.812 5.426 -4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.401 5.029 -5.998 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -12.017 1.117 -6.688 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.356 1.489 -4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -12.538 2.753 -6.220 1.00 0.00 H new ATOM 1197 N VAL A 74 -7.962 5.701 -3.653 1.00 0.00 N ATOM 1198 CA VAL A 74 -7.738 6.825 -2.751 1.00 0.00 C ATOM 1199 C VAL A 74 -8.960 7.735 -2.694 1.00 0.00 C ATOM 1200 O VAL A 74 -9.252 8.461 -3.645 1.00 0.00 O ATOM 1201 CB VAL A 74 -6.513 7.654 -3.180 1.00 0.00 C ATOM 1202 CG1 VAL A 74 -6.273 8.796 -2.204 1.00 0.00 C ATOM 1203 CG2 VAL A 74 -5.282 6.767 -3.289 1.00 0.00 C ATOM 0 H VAL A 74 -7.537 5.808 -4.574 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.554 6.406 -1.762 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.712 8.083 -4.162 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.404 9.371 -2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.148 9.445 -2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.095 8.392 -1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.426 7.369 -3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.078 6.308 -2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.459 5.988 -4.030 1.00 0.00 H new ATOM 1213 N LYS A 75 -9.670 7.693 -1.572 1.00 0.00 N ATOM 1214 CA LYS A 75 -10.861 8.515 -1.389 1.00 0.00 C ATOM 1215 C LYS A 75 -10.592 9.648 -0.403 1.00 0.00 C ATOM 1216 O LYS A 75 -9.520 9.723 0.195 1.00 0.00 O ATOM 1217 CB LYS A 75 -12.026 7.658 -0.892 1.00 0.00 C ATOM 1218 CG LYS A 75 -12.587 6.723 -1.949 1.00 0.00 C ATOM 1219 CD LYS A 75 -13.182 5.470 -1.327 1.00 0.00 C ATOM 1220 CE LYS A 75 -13.526 4.432 -2.384 1.00 0.00 C ATOM 1221 NZ LYS A 75 -14.604 4.906 -3.296 1.00 0.00 N ATOM 0 H LYS A 75 -9.442 7.098 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.124 8.950 -2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.694 7.069 -0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.823 8.313 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.352 7.242 -2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.797 6.444 -2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.475 5.045 -0.615 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.080 5.732 -0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.635 4.197 -2.966 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.841 3.509 -1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.822 4.164 -3.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.457 5.122 -2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.287 5.763 -3.792 1.00 0.00 H new ATOM 1325 N ILE A 82 -10.419 10.288 -6.277 1.00 0.00 N ATOM 1326 CA ILE A 82 -9.133 10.882 -6.622 1.00 0.00 C ATOM 1327 C ILE A 82 -8.415 10.059 -7.686 1.00 0.00 C ATOM 1328 O ILE A 82 -7.926 10.599 -8.678 1.00 0.00 O ATOM 1329 CB ILE A 82 -8.222 11.010 -5.387 1.00 0.00 C ATOM 1330 CG1 ILE A 82 -8.966 11.712 -4.249 1.00 0.00 C ATOM 1331 CG2 ILE A 82 -6.951 11.766 -5.742 1.00 0.00 C ATOM 1332 CD1 ILE A 82 -8.158 11.816 -2.974 1.00 0.00 C ATOM 0 HA ILE A 82 -9.341 11.877 -7.015 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.945 10.010 -5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -9.249 12.713 -4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -9.890 11.172 -4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.318 11.848 -4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.415 11.229 -6.524 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.208 12.764 -6.098 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.747 12.324 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.898 10.817 -2.626 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.247 12.382 -3.166 1.00 0.00 H new ATOM 1344 N SER A 83 -8.357 8.748 -7.474 1.00 0.00 N ATOM 1345 CA SER A 83 -7.697 7.850 -8.414 1.00 0.00 C ATOM 1346 C SER A 83 -8.004 6.393 -8.079 1.00 0.00 C ATOM 1347 O SER A 83 -8.700 6.102 -7.107 1.00 0.00 O ATOM 1348 CB SER A 83 -6.185 8.081 -8.397 1.00 0.00 C ATOM 1349 OG SER A 83 -5.614 7.633 -7.180 1.00 0.00 O ATOM 0 H SER A 83 -8.759 8.284 -6.659 1.00 0.00 H new ATOM 0 HA SER A 83 -8.079 8.064 -9.412 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.724 7.556 -9.234 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.975 9.142 -8.532 1.00 0.00 H new ATOM 0 HG SER A 83 -4.682 7.932 -7.126 1.00 0.00 H new ATOM 1355 N GLU A 84 -7.479 5.482 -8.893 1.00 0.00 N ATOM 1356 CA GLU A 84 -7.698 4.056 -8.685 1.00 0.00 C ATOM 1357 C GLU A 84 -6.606 3.233 -9.363 1.00 0.00 C ATOM 1358 O GLU A 84 -5.937 3.706 -10.283 1.00 0.00 O ATOM 1359 CB GLU A 84 -9.070 3.643 -9.221 1.00 0.00 C ATOM 1360 CG GLU A 84 -9.203 3.787 -10.728 1.00 0.00 C ATOM 1361 CD GLU A 84 -10.648 3.809 -11.187 1.00 0.00 C ATOM 1362 OE1 GLU A 84 -11.503 4.318 -10.433 1.00 0.00 O ATOM 1363 OE2 GLU A 84 -10.923 3.316 -12.301 1.00 0.00 O ATOM 0 H GLU A 84 -6.900 5.706 -9.702 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.662 3.863 -7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.261 2.606 -8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.837 4.248 -8.737 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.711 4.706 -11.046 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.684 2.962 -11.215 1.00 0.00 H new ATOM 1370 N THR A 85 -6.431 1.999 -8.903 1.00 0.00 N ATOM 1371 CA THR A 85 -5.420 1.110 -9.463 1.00 0.00 C ATOM 1372 C THR A 85 -5.775 -0.351 -9.215 1.00 0.00 C ATOM 1373 O THR A 85 -6.627 -0.662 -8.381 1.00 0.00 O ATOM 1374 CB THR A 85 -4.028 1.397 -8.868 1.00 0.00 C ATOM 1375 OG1 THR A 85 -3.029 0.663 -9.584 1.00 0.00 O ATOM 1376 CG2 THR A 85 -3.982 1.022 -7.395 1.00 0.00 C ATOM 0 H THR A 85 -6.976 1.592 -8.143 1.00 0.00 H new ATOM 0 HA THR A 85 -5.394 1.297 -10.536 1.00 0.00 H new ATOM 0 HB THR A 85 -3.830 2.465 -8.961 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.648 1.229 -10.287 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.990 1.233 -6.997 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.724 1.604 -6.848 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.199 -0.040 -7.283 1.00 0.00 H new ATOM 1384 N THR A 86 -5.115 -1.248 -9.942 1.00 0.00 N ATOM 1385 CA THR A 86 -5.361 -2.677 -9.801 1.00 0.00 C ATOM 1386 C THR A 86 -4.059 -3.441 -9.588 1.00 0.00 C ATOM 1387 O THR A 86 -3.070 -3.207 -10.283 1.00 0.00 O ATOM 1388 CB THR A 86 -6.081 -3.248 -11.038 1.00 0.00 C ATOM 1389 OG1 THR A 86 -7.208 -2.429 -11.370 1.00 0.00 O ATOM 1390 CG2 THR A 86 -6.542 -4.675 -10.785 1.00 0.00 C ATOM 0 H THR A 86 -4.406 -1.009 -10.635 1.00 0.00 H new ATOM 0 HA THR A 86 -6.000 -2.803 -8.927 1.00 0.00 H new ATOM 0 HB THR A 86 -5.378 -3.253 -11.871 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.659 -2.797 -12.158 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.047 -5.057 -11.672 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.679 -5.302 -10.561 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.231 -4.691 -9.940 1.00 0.00 H new ATOM 1398 N VAL A 87 -4.066 -4.355 -8.623 1.00 0.00 N ATOM 1399 CA VAL A 87 -2.885 -5.155 -8.320 1.00 0.00 C ATOM 1400 C VAL A 87 -3.267 -6.593 -7.985 1.00 0.00 C ATOM 1401 O VAL A 87 -4.189 -6.834 -7.207 1.00 0.00 O ATOM 1402 CB VAL A 87 -2.091 -4.559 -7.143 1.00 0.00 C ATOM 1403 CG1 VAL A 87 -2.954 -4.497 -5.892 1.00 0.00 C ATOM 1404 CG2 VAL A 87 -0.827 -5.367 -6.890 1.00 0.00 C ATOM 0 H VAL A 87 -4.876 -4.560 -8.038 1.00 0.00 H new ATOM 0 HA VAL A 87 -2.259 -5.147 -9.212 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.799 -3.542 -7.403 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.375 -4.073 -5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.826 -3.871 -6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.280 -5.502 -5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.278 -4.932 -6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.095 -6.396 -6.651 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.201 -5.353 -7.782 1.00 0.00 H new ATOM 1414 N GLU A 88 -2.550 -7.543 -8.577 1.00 0.00 N ATOM 1415 CA GLU A 88 -2.815 -8.957 -8.341 1.00 0.00 C ATOM 1416 C GLU A 88 -2.104 -9.440 -7.080 1.00 0.00 C ATOM 1417 O GLU A 88 -0.876 -9.400 -6.992 1.00 0.00 O ATOM 1418 CB GLU A 88 -2.367 -9.790 -9.544 1.00 0.00 C ATOM 1419 CG GLU A 88 -3.304 -9.691 -10.736 1.00 0.00 C ATOM 1420 CD GLU A 88 -2.612 -10.002 -12.049 1.00 0.00 C ATOM 1421 OE1 GLU A 88 -1.813 -9.162 -12.513 1.00 0.00 O ATOM 1422 OE2 GLU A 88 -2.870 -11.086 -12.612 1.00 0.00 O ATOM 0 H GLU A 88 -1.782 -7.359 -9.223 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.889 -9.082 -8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.371 -9.468 -9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.286 -10.834 -9.242 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.137 -10.380 -10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.725 -8.686 -10.780 1.00 0.00 H new ATOM 1429 N LEU A 89 -2.883 -9.896 -6.106 1.00 0.00 N ATOM 1430 CA LEU A 89 -2.329 -10.387 -4.849 1.00 0.00 C ATOM 1431 C LEU A 89 -1.627 -11.726 -5.050 1.00 0.00 C ATOM 1432 O LEU A 89 -0.716 -12.079 -4.301 1.00 0.00 O ATOM 1433 CB LEU A 89 -3.436 -10.531 -3.803 1.00 0.00 C ATOM 1434 CG LEU A 89 -3.784 -9.267 -3.016 1.00 0.00 C ATOM 1435 CD1 LEU A 89 -5.184 -9.370 -2.432 1.00 0.00 C ATOM 1436 CD2 LEU A 89 -2.761 -9.026 -1.915 1.00 0.00 C ATOM 0 H LEU A 89 -3.901 -9.936 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.596 -9.662 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.338 -10.883 -4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.141 -11.306 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.760 -8.418 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.414 -8.461 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.907 -9.494 -3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.237 -10.229 -1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.024 -8.122 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.753 -9.876 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.772 -8.906 -2.357 1.00 0.00 H new ATOM 1448 N TYR A 90 -2.055 -12.466 -6.066 1.00 0.00 N ATOM 1449 CA TYR A 90 -1.467 -13.767 -6.366 1.00 0.00 C ATOM 1450 C TYR A 90 -0.030 -13.616 -6.853 1.00 0.00 C ATOM 1451 O TYR A 90 0.914 -14.011 -6.169 1.00 0.00 O ATOM 1452 CB TYR A 90 -2.301 -14.496 -7.420 1.00 0.00 C ATOM 1453 CG TYR A 90 -1.796 -15.885 -7.737 1.00 0.00 C ATOM 1454 CD1 TYR A 90 -1.775 -16.877 -6.764 1.00 0.00 C ATOM 1455 CD2 TYR A 90 -1.338 -16.206 -9.009 1.00 0.00 C ATOM 1456 CE1 TYR A 90 -1.314 -18.148 -7.049 1.00 0.00 C ATOM 1457 CE2 TYR A 90 -0.876 -17.475 -9.303 1.00 0.00 C ATOM 1458 CZ TYR A 90 -0.866 -18.442 -8.320 1.00 0.00 C ATOM 1459 OH TYR A 90 -0.405 -19.706 -8.608 1.00 0.00 O ATOM 0 H TYR A 90 -2.807 -12.188 -6.696 1.00 0.00 H new ATOM 0 HA TYR A 90 -1.460 -14.355 -5.448 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -3.332 -14.564 -7.072 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -2.312 -13.905 -8.336 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.125 -16.651 -5.768 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -1.343 -15.451 -9.781 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.304 -18.907 -6.281 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.525 -17.708 -10.297 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.128 -19.747 -9.547 1.00 0.00 H new ATOM 1469 N SER A 91 0.128 -13.039 -8.040 1.00 0.00 N ATOM 1470 CA SER A 91 1.450 -12.838 -8.622 1.00 0.00 C ATOM 1471 C SER A 91 2.370 -12.113 -7.644 1.00 0.00 C ATOM 1472 O SER A 91 3.553 -12.436 -7.531 1.00 0.00 O ATOM 1473 CB SER A 91 1.341 -12.040 -9.923 1.00 0.00 C ATOM 1474 OG SER A 91 0.102 -12.280 -10.566 1.00 0.00 O ATOM 0 H SER A 91 -0.643 -12.703 -8.617 1.00 0.00 H new ATOM 0 HA SER A 91 1.877 -13.817 -8.838 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.444 -10.976 -9.710 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.159 -12.312 -10.590 1.00 0.00 H new ATOM 0 HG SER A 91 0.056 -11.757 -11.394 1.00 0.00 H new ATOM 1480 N LEU A 92 1.818 -11.132 -6.938 1.00 0.00 N ATOM 1481 CA LEU A 92 2.587 -10.361 -5.968 1.00 0.00 C ATOM 1482 C LEU A 92 3.277 -11.280 -4.965 1.00 0.00 C ATOM 1483 O LEU A 92 4.466 -11.129 -4.686 1.00 0.00 O ATOM 1484 CB LEU A 92 1.676 -9.376 -5.233 1.00 0.00 C ATOM 1485 CG LEU A 92 2.319 -8.596 -4.085 1.00 0.00 C ATOM 1486 CD1 LEU A 92 3.579 -7.890 -4.559 1.00 0.00 C ATOM 1487 CD2 LEU A 92 1.332 -7.596 -3.502 1.00 0.00 C ATOM 0 H LEU A 92 0.841 -10.852 -7.019 1.00 0.00 H new ATOM 0 HA LEU A 92 3.353 -9.804 -6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.287 -8.661 -5.958 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.822 -9.927 -4.838 1.00 0.00 H new ATOM 0 HG LEU A 92 2.596 -9.302 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.022 -7.340 -3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.292 -8.627 -4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.327 -7.195 -5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.806 -7.050 -2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.024 -6.895 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.458 -8.126 -3.124 1.00 0.00 H new ATOM 1499 N ALA A 93 2.523 -12.233 -4.428 1.00 0.00 N ATOM 1500 CA ALA A 93 3.062 -13.179 -3.460 1.00 0.00 C ATOM 1501 C ALA A 93 4.275 -13.912 -4.025 1.00 0.00 C ATOM 1502 O ALA A 93 5.130 -14.384 -3.276 1.00 0.00 O ATOM 1503 CB ALA A 93 1.990 -14.175 -3.040 1.00 0.00 C ATOM 0 H ALA A 93 1.536 -12.370 -4.647 1.00 0.00 H new ATOM 0 HA ALA A 93 3.385 -12.618 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.407 -14.875 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.154 -13.641 -2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.640 -14.723 -3.915 1.00 0.00 H new ATOM 1509 N GLU A 94 4.341 -14.003 -5.349 1.00 0.00 N ATOM 1510 CA GLU A 94 5.449 -14.680 -6.013 1.00 0.00 C ATOM 1511 C GLU A 94 6.602 -13.714 -6.268 1.00 0.00 C ATOM 1512 O GLU A 94 7.767 -14.050 -6.049 1.00 0.00 O ATOM 1513 CB GLU A 94 4.982 -15.295 -7.335 1.00 0.00 C ATOM 1514 CG GLU A 94 3.807 -16.246 -7.182 1.00 0.00 C ATOM 1515 CD GLU A 94 3.543 -17.053 -8.438 1.00 0.00 C ATOM 1516 OE1 GLU A 94 4.352 -17.954 -8.745 1.00 0.00 O ATOM 1517 OE2 GLU A 94 2.529 -16.784 -9.115 1.00 0.00 O ATOM 0 H GLU A 94 3.641 -13.617 -5.983 1.00 0.00 H new ATOM 0 HA GLU A 94 5.802 -15.475 -5.356 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.704 -14.494 -8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.815 -15.830 -7.791 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.000 -16.925 -6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.914 -15.676 -6.926 1.00 0.00 H new ATOM 1524 N ARG A 95 6.270 -12.514 -6.733 1.00 0.00 N ATOM 1525 CA ARG A 95 7.277 -11.500 -7.020 1.00 0.00 C ATOM 1526 C ARG A 95 8.199 -11.296 -5.821 1.00 0.00 C ATOM 1527 O ARG A 95 9.415 -11.170 -5.975 1.00 0.00 O ATOM 1528 CB ARG A 95 6.607 -10.176 -7.392 1.00 0.00 C ATOM 1529 CG ARG A 95 6.423 -9.987 -8.889 1.00 0.00 C ATOM 1530 CD ARG A 95 6.309 -8.516 -9.255 1.00 0.00 C ATOM 1531 NE ARG A 95 6.704 -8.263 -10.638 1.00 0.00 N ATOM 1532 CZ ARG A 95 6.903 -7.048 -11.136 1.00 0.00 C ATOM 1533 NH1 ARG A 95 6.746 -5.979 -10.367 1.00 0.00 N ATOM 1534 NH2 ARG A 95 7.261 -6.899 -12.405 1.00 0.00 N ATOM 0 H ARG A 95 5.311 -12.220 -6.919 1.00 0.00 H new ATOM 0 HA ARG A 95 7.875 -11.846 -7.863 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.633 -10.122 -6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 95 7.205 -9.353 -7.001 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.266 -10.431 -9.419 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.527 -10.515 -9.216 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.282 -8.184 -9.105 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.935 -7.926 -8.586 1.00 0.00 H new ATOM 0 HE ARG A 95 6.834 -9.064 -11.256 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.472 -6.089 -9.391 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.899 -5.047 -10.752 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.384 -7.718 -13.000 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.413 -5.965 -12.786 1.00 0.00 H new ATOM 1548 N CYS A 96 7.614 -11.263 -4.629 1.00 0.00 N ATOM 1549 CA CYS A 96 8.383 -11.073 -3.405 1.00 0.00 C ATOM 1550 C CYS A 96 9.462 -12.142 -3.269 1.00 0.00 C ATOM 1551 O CYS A 96 10.608 -11.841 -2.933 1.00 0.00 O ATOM 1552 CB CYS A 96 7.458 -11.107 -2.187 1.00 0.00 C ATOM 1553 SG CYS A 96 6.064 -9.960 -2.286 1.00 0.00 S ATOM 0 H CYS A 96 6.610 -11.365 -4.484 1.00 0.00 H new ATOM 0 HA CYS A 96 8.868 -10.098 -3.457 1.00 0.00 H new ATOM 0 HB2 CYS A 96 7.073 -12.120 -2.065 1.00 0.00 H new ATOM 0 HB3 CYS A 96 8.041 -10.877 -1.295 1.00 0.00 H new ATOM 0 HG CYS A 96 5.270 -10.324 -3.249 1.00 0.00 H new ATOM 1559 N ARG A 97 9.089 -13.390 -3.530 1.00 0.00 N ATOM 1560 CA ARG A 97 10.024 -14.504 -3.434 1.00 0.00 C ATOM 1561 C ARG A 97 11.207 -14.302 -4.377 1.00 0.00 C ATOM 1562 O ARG A 97 12.326 -14.726 -4.085 1.00 0.00 O ATOM 1563 CB ARG A 97 9.317 -15.821 -3.760 1.00 0.00 C ATOM 1564 CG ARG A 97 8.218 -16.182 -2.774 1.00 0.00 C ATOM 1565 CD ARG A 97 7.329 -17.292 -3.313 1.00 0.00 C ATOM 1566 NE ARG A 97 8.104 -18.447 -3.756 1.00 0.00 N ATOM 1567 CZ ARG A 97 7.556 -19.579 -4.184 1.00 0.00 C ATOM 1568 NH1 ARG A 97 6.237 -19.706 -4.227 1.00 0.00 N ATOM 1569 NH2 ARG A 97 8.328 -20.587 -4.571 1.00 0.00 N ATOM 0 H ARG A 97 8.145 -13.655 -3.810 1.00 0.00 H new ATOM 0 HA ARG A 97 10.399 -14.545 -2.411 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.889 -15.756 -4.760 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.054 -16.624 -3.780 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.663 -16.497 -1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.613 -15.300 -2.563 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.627 -17.602 -2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.738 -16.911 -4.146 1.00 0.00 H new ATOM 0 HE ARG A 97 9.122 -18.381 -3.736 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.640 -18.933 -3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.819 -20.576 -4.556 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.343 -20.493 -4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.906 -21.456 -4.899 1.00 0.00 H new ATOM 1583 N LYS A 98 10.953 -13.653 -5.508 1.00 0.00 N ATOM 1584 CA LYS A 98 11.995 -13.395 -6.493 1.00 0.00 C ATOM 1585 C LYS A 98 13.111 -12.543 -5.895 1.00 0.00 C ATOM 1586 O LYS A 98 14.261 -12.620 -6.324 1.00 0.00 O ATOM 1587 CB LYS A 98 11.405 -12.692 -7.718 1.00 0.00 C ATOM 1588 CG LYS A 98 10.192 -13.399 -8.298 1.00 0.00 C ATOM 1589 CD LYS A 98 10.564 -14.743 -8.901 1.00 0.00 C ATOM 1590 CE LYS A 98 11.353 -14.575 -10.191 1.00 0.00 C ATOM 1591 NZ LYS A 98 10.486 -14.718 -11.394 1.00 0.00 N ATOM 0 H LYS A 98 10.033 -13.296 -5.765 1.00 0.00 H new ATOM 0 HA LYS A 98 12.416 -14.353 -6.798 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.126 -11.675 -7.444 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.173 -12.615 -8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.446 -13.544 -7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.735 -12.771 -9.062 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.154 -15.314 -8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.659 -15.317 -9.099 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.829 -13.594 -10.201 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.151 -15.317 -10.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.061 -14.597 -12.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.052 -15.663 -11.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.740 -13.994 -11.372 1.00 0.00 H new ATOM 1605 N ASN A 99 12.762 -11.734 -4.900 1.00 0.00 N ATOM 1606 CA ASN A 99 13.735 -10.869 -4.242 1.00 0.00 C ATOM 1607 C ASN A 99 14.317 -11.548 -3.005 1.00 0.00 C ATOM 1608 O ASN A 99 14.819 -10.884 -2.099 1.00 0.00 O ATOM 1609 CB ASN A 99 13.085 -9.541 -3.849 1.00 0.00 C ATOM 1610 CG ASN A 99 13.268 -8.472 -4.909 1.00 0.00 C ATOM 1611 OD1 ASN A 99 14.121 -7.594 -4.780 1.00 0.00 O ATOM 1612 ND2 ASN A 99 12.466 -8.543 -5.965 1.00 0.00 N ATOM 0 H ASN A 99 11.814 -11.659 -4.532 1.00 0.00 H new ATOM 0 HA ASN A 99 14.545 -10.675 -4.945 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.020 -9.698 -3.675 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.514 -9.194 -2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.543 -7.852 -6.711 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.773 -9.289 -6.030 1.00 0.00 H new ATOM 1619 N ASN A 100 14.247 -12.875 -2.977 1.00 0.00 N ATOM 1620 CA ASN A 100 14.767 -13.644 -1.852 1.00 0.00 C ATOM 1621 C ASN A 100 14.028 -13.293 -0.565 1.00 0.00 C ATOM 1622 O ASN A 100 14.539 -13.503 0.534 1.00 0.00 O ATOM 1623 CB ASN A 100 16.265 -13.385 -1.680 1.00 0.00 C ATOM 1624 CG ASN A 100 17.116 -14.459 -2.330 1.00 0.00 C ATOM 1625 OD1 ASN A 100 16.653 -15.187 -3.207 1.00 0.00 O ATOM 1626 ND2 ASN A 100 18.369 -14.561 -1.900 1.00 0.00 N ATOM 0 H ASN A 100 13.836 -13.440 -3.720 1.00 0.00 H new ATOM 0 HA ASN A 100 14.609 -14.702 -2.063 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.515 -12.416 -2.112 1.00 0.00 H new ATOM 0 HB3 ASN A 100 16.502 -13.331 -0.617 1.00 0.00 H new ATOM 0 HD21 ASN A 100 18.990 -15.265 -2.300 1.00 0.00 H new ATOM 0 HD22 ASN A 100 18.710 -13.935 -1.170 1.00 0.00 H new ATOM 1633 N GLY A 101 12.819 -12.757 -0.710 1.00 0.00 N ATOM 1634 CA GLY A 101 12.028 -12.387 0.449 1.00 0.00 C ATOM 1635 C GLY A 101 10.925 -11.405 0.108 1.00 0.00 C ATOM 1636 O GLY A 101 9.802 -11.803 -0.202 1.00 0.00 O ATOM 0 H GLY A 101 12.374 -12.573 -1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.589 -13.284 0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.680 -11.949 1.205 1.00 0.00 H new ATOM 1640 N LYS A 102 11.243 -10.116 0.165 1.00 0.00 N ATOM 1641 CA LYS A 102 10.271 -9.073 -0.140 1.00 0.00 C ATOM 1642 C LYS A 102 10.749 -8.207 -1.301 1.00 0.00 C ATOM 1643 O LYS A 102 11.945 -8.136 -1.587 1.00 0.00 O ATOM 1644 CB LYS A 102 10.025 -8.200 1.093 1.00 0.00 C ATOM 1645 CG LYS A 102 11.282 -7.537 1.629 1.00 0.00 C ATOM 1646 CD LYS A 102 10.982 -6.169 2.219 1.00 0.00 C ATOM 1647 CE LYS A 102 11.358 -5.052 1.257 1.00 0.00 C ATOM 1648 NZ LYS A 102 10.854 -3.729 1.719 1.00 0.00 N ATOM 0 H LYS A 102 12.167 -9.769 0.420 1.00 0.00 H new ATOM 0 HA LYS A 102 9.337 -9.555 -0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.296 -7.429 0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.584 -8.812 1.879 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.733 -8.172 2.391 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.012 -7.436 0.826 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.921 -6.101 2.461 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.530 -6.046 3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.442 -5.012 1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 102 10.951 -5.271 0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.575 -3.001 1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.984 -3.490 1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.651 -3.771 2.738 1.00 0.00 H new ATOM 1662 N THR A 103 9.807 -7.548 -1.969 1.00 0.00 N ATOM 1663 CA THR A 103 10.131 -6.686 -3.099 1.00 0.00 C ATOM 1664 C THR A 103 9.304 -5.406 -3.070 1.00 0.00 C ATOM 1665 O THR A 103 8.223 -5.369 -2.483 1.00 0.00 O ATOM 1666 CB THR A 103 9.895 -7.406 -4.440 1.00 0.00 C ATOM 1667 OG1 THR A 103 10.422 -6.622 -5.516 1.00 0.00 O ATOM 1668 CG2 THR A 103 8.412 -7.656 -4.666 1.00 0.00 C ATOM 0 H THR A 103 8.813 -7.595 -1.747 1.00 0.00 H new ATOM 0 HA THR A 103 11.188 -6.434 -3.011 1.00 0.00 H new ATOM 0 HB THR A 103 10.408 -8.367 -4.407 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.270 -7.087 -6.365 1.00 0.00 H new ATOM 0 HG21 THR A 103 8.270 -8.165 -5.619 1.00 0.00 H new ATOM 0 HG22 THR A 103 8.021 -8.278 -3.861 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.881 -6.704 -4.681 1.00 0.00 H new ATOM 1676 N GLU A 104 9.818 -4.360 -3.708 1.00 0.00 N ATOM 1677 CA GLU A 104 9.125 -3.078 -3.754 1.00 0.00 C ATOM 1678 C GLU A 104 8.479 -2.858 -5.118 1.00 0.00 C ATOM 1679 O GLU A 104 9.134 -2.977 -6.154 1.00 0.00 O ATOM 1680 CB GLU A 104 10.097 -1.936 -3.447 1.00 0.00 C ATOM 1681 CG GLU A 104 10.330 -1.717 -1.962 1.00 0.00 C ATOM 1682 CD GLU A 104 10.635 -3.006 -1.223 1.00 0.00 C ATOM 1683 OE1 GLU A 104 9.677 -3.708 -0.836 1.00 0.00 O ATOM 1684 OE2 GLU A 104 11.830 -3.313 -1.031 1.00 0.00 O ATOM 0 H GLU A 104 10.711 -4.375 -4.200 1.00 0.00 H new ATOM 0 HA GLU A 104 8.340 -3.091 -2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.052 -2.144 -3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 104 9.712 -1.015 -3.885 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.157 -1.020 -1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.447 -1.252 -1.524 1.00 0.00 H new ATOM 1691 N ILE A 105 7.190 -2.536 -5.111 1.00 0.00 N ATOM 1692 CA ILE A 105 6.455 -2.298 -6.347 1.00 0.00 C ATOM 1693 C ILE A 105 5.734 -0.955 -6.309 1.00 0.00 C ATOM 1694 O ILE A 105 5.211 -0.549 -5.271 1.00 0.00 O ATOM 1695 CB ILE A 105 5.426 -3.413 -6.613 1.00 0.00 C ATOM 1696 CG1 ILE A 105 6.123 -4.773 -6.691 1.00 0.00 C ATOM 1697 CG2 ILE A 105 4.658 -3.130 -7.895 1.00 0.00 C ATOM 1698 CD1 ILE A 105 5.179 -5.945 -6.542 1.00 0.00 C ATOM 0 H ILE A 105 6.633 -2.434 -4.263 1.00 0.00 H new ATOM 0 HA ILE A 105 7.188 -2.291 -7.153 1.00 0.00 H new ATOM 0 HB ILE A 105 4.717 -3.437 -5.786 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.640 -4.853 -7.647 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.883 -4.828 -5.912 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.935 -3.927 -8.069 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.134 -2.178 -7.803 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.354 -3.082 -8.733 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.742 -6.876 -6.607 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.680 -5.890 -5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.434 -5.915 -7.337 1.00 0.00 H new ATOM 1710 N TRP A 106 5.710 -0.271 -7.447 1.00 0.00 N ATOM 1711 CA TRP A 106 5.051 1.027 -7.544 1.00 0.00 C ATOM 1712 C TRP A 106 3.713 0.905 -8.265 1.00 0.00 C ATOM 1713 O TRP A 106 3.652 0.455 -9.410 1.00 0.00 O ATOM 1714 CB TRP A 106 5.950 2.024 -8.276 1.00 0.00 C ATOM 1715 CG TRP A 106 7.049 2.575 -7.418 1.00 0.00 C ATOM 1716 CD1 TRP A 106 8.279 2.020 -7.205 1.00 0.00 C ATOM 1717 CD2 TRP A 106 7.016 3.787 -6.657 1.00 0.00 C ATOM 1718 NE1 TRP A 106 9.012 2.815 -6.357 1.00 0.00 N ATOM 1719 CE2 TRP A 106 8.260 3.905 -6.007 1.00 0.00 C ATOM 1720 CE3 TRP A 106 6.057 4.785 -6.462 1.00 0.00 C ATOM 1721 CZ2 TRP A 106 8.567 4.980 -5.178 1.00 0.00 C ATOM 1722 CZ3 TRP A 106 6.363 5.851 -5.638 1.00 0.00 C ATOM 1723 CH2 TRP A 106 7.610 5.943 -5.005 1.00 0.00 C ATOM 0 H TRP A 106 6.139 -0.593 -8.315 1.00 0.00 H new ATOM 0 HA TRP A 106 4.866 1.390 -6.533 1.00 0.00 H new ATOM 0 HB2 TRP A 106 6.389 1.536 -9.146 1.00 0.00 H new ATOM 0 HB3 TRP A 106 5.340 2.848 -8.646 1.00 0.00 H new ATOM 0 HD1 TRP A 106 8.624 1.093 -7.639 1.00 0.00 H new ATOM 0 HE1 TRP A 106 9.962 2.624 -6.040 1.00 0.00 H new ATOM 0 HE3 TRP A 106 5.094 4.724 -6.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 9.527 5.052 -4.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 5.629 6.627 -5.479 1.00 0.00 H new ATOM 0 HH2 TRP A 106 7.820 6.790 -4.369 1.00 0.00 H new ATOM 1734 N LEU A 107 2.643 1.309 -7.589 1.00 0.00 N ATOM 1735 CA LEU A 107 1.305 1.246 -8.165 1.00 0.00 C ATOM 1736 C LEU A 107 1.047 2.443 -9.075 1.00 0.00 C ATOM 1737 O LEU A 107 1.551 3.539 -8.833 1.00 0.00 O ATOM 1738 CB LEU A 107 0.252 1.198 -7.057 1.00 0.00 C ATOM 1739 CG LEU A 107 0.250 -0.061 -6.188 1.00 0.00 C ATOM 1740 CD1 LEU A 107 -0.763 0.071 -5.061 1.00 0.00 C ATOM 1741 CD2 LEU A 107 -0.046 -1.292 -7.032 1.00 0.00 C ATOM 0 H LEU A 107 2.676 1.684 -6.641 1.00 0.00 H new ATOM 0 HA LEU A 107 1.237 0.337 -8.762 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.396 2.063 -6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -0.732 1.302 -7.514 1.00 0.00 H new ATOM 0 HG LEU A 107 1.240 -0.177 -5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.751 -0.834 -4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -0.506 0.929 -4.440 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.759 0.212 -5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -0.043 -2.178 -6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -1.024 -1.185 -7.501 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.717 -1.396 -7.803 1.00 0.00 H new ATOM 1753 N GLU A 108 0.256 2.225 -10.122 1.00 0.00 N ATOM 1754 CA GLU A 108 -0.070 3.287 -11.066 1.00 0.00 C ATOM 1755 C GLU A 108 -1.524 3.722 -10.916 1.00 0.00 C ATOM 1756 O GLU A 108 -2.432 3.091 -11.459 1.00 0.00 O ATOM 1757 CB GLU A 108 0.189 2.821 -12.501 1.00 0.00 C ATOM 1758 CG GLU A 108 -0.366 1.438 -12.801 1.00 0.00 C ATOM 1759 CD GLU A 108 -0.787 1.280 -14.249 1.00 0.00 C ATOM 1760 OE1 GLU A 108 -1.727 1.983 -14.674 1.00 0.00 O ATOM 1761 OE2 GLU A 108 -0.175 0.453 -14.957 1.00 0.00 O ATOM 0 H GLU A 108 -0.170 1.324 -10.337 1.00 0.00 H new ATOM 0 HA GLU A 108 0.571 4.141 -10.847 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.253 3.539 -13.192 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.263 2.820 -12.686 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.388 0.688 -12.562 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.222 1.246 -12.155 1.00 0.00 H new ATOM 1768 N LEU A 109 -1.739 4.803 -10.174 1.00 0.00 N ATOM 1769 CA LEU A 109 -3.083 5.323 -9.951 1.00 0.00 C ATOM 1770 C LEU A 109 -3.487 6.284 -11.064 1.00 0.00 C ATOM 1771 O LEU A 109 -2.742 7.202 -11.408 1.00 0.00 O ATOM 1772 CB LEU A 109 -3.158 6.032 -8.597 1.00 0.00 C ATOM 1773 CG LEU A 109 -2.372 5.385 -7.456 1.00 0.00 C ATOM 1774 CD1 LEU A 109 -2.314 6.315 -6.254 1.00 0.00 C ATOM 1775 CD2 LEU A 109 -2.993 4.050 -7.071 1.00 0.00 C ATOM 0 H LEU A 109 -0.999 5.336 -9.717 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.776 4.482 -9.953 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.800 7.054 -8.724 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.205 6.095 -8.300 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.353 5.204 -7.798 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.751 5.838 -5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.824 7.246 -6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.326 6.528 -5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.421 3.604 -6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.022 4.207 -6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.982 3.382 -7.932 1.00 0.00 H new ATOM 1787 N LYS A 110 -4.673 6.069 -11.622 1.00 0.00 N ATOM 1788 CA LYS A 110 -5.180 6.918 -12.695 1.00 0.00 C ATOM 1789 C LYS A 110 -6.453 7.639 -12.263 1.00 0.00 C ATOM 1790 O LYS A 110 -7.155 7.219 -11.343 1.00 0.00 O ATOM 1791 CB LYS A 110 -5.455 6.083 -13.947 1.00 0.00 C ATOM 1792 CG LYS A 110 -4.195 5.636 -14.669 1.00 0.00 C ATOM 1793 CD LYS A 110 -3.625 6.747 -15.535 1.00 0.00 C ATOM 1794 CE LYS A 110 -4.198 6.705 -16.944 1.00 0.00 C ATOM 1795 NZ LYS A 110 -3.550 5.654 -17.775 1.00 0.00 N ATOM 0 H LYS A 110 -5.302 5.314 -11.349 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.420 7.665 -12.923 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.035 5.203 -13.667 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.070 6.665 -14.634 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -3.448 5.323 -13.939 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -4.418 4.768 -15.289 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.844 7.713 -15.080 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.540 6.655 -15.579 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.271 6.519 -16.894 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -4.065 7.677 -17.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.968 5.658 -18.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.530 5.846 -17.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.698 4.723 -17.335 1.00 0.00 H new ATOM 1809 N PRO A 111 -6.762 8.753 -12.942 1.00 0.00 N ATOM 1810 CA PRO A 111 -6.022 9.365 -14.050 1.00 0.00 C ATOM 1811 C PRO A 111 -4.698 9.971 -13.599 1.00 0.00 C ATOM 1812 O PRO A 111 -3.804 10.205 -14.412 1.00 0.00 O ATOM 1813 CB PRO A 111 -6.970 10.459 -14.548 1.00 0.00 C ATOM 1814 CG PRO A 111 -7.814 10.795 -13.367 1.00 0.00 C ATOM 1815 CD PRO A 111 -7.974 9.515 -12.595 1.00 0.00 C ATOM 0 HA PRO A 111 -5.754 8.635 -14.813 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -6.418 11.330 -14.901 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -7.578 10.107 -15.382 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -7.341 11.563 -12.755 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -8.782 11.187 -13.678 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -8.040 9.698 -11.523 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.880 8.982 -12.884 1.00 0.00 H new ATOM 1823 N GLN A 112 -4.579 10.221 -12.299 1.00 0.00 N ATOM 1824 CA GLN A 112 -3.363 10.801 -11.741 1.00 0.00 C ATOM 1825 C GLN A 112 -3.135 10.317 -10.313 1.00 0.00 C ATOM 1826 O GLN A 112 -4.080 10.164 -9.540 1.00 0.00 O ATOM 1827 CB GLN A 112 -3.442 12.328 -11.768 1.00 0.00 C ATOM 1828 CG GLN A 112 -3.759 12.897 -13.141 1.00 0.00 C ATOM 1829 CD GLN A 112 -3.945 14.401 -13.121 1.00 0.00 C ATOM 1830 OE1 GLN A 112 -4.995 14.903 -12.718 1.00 0.00 O ATOM 1831 NE2 GLN A 112 -2.924 15.130 -13.558 1.00 0.00 N ATOM 0 H GLN A 112 -5.309 10.031 -11.613 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.522 10.477 -12.354 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -4.205 12.656 -11.063 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -2.493 12.739 -11.424 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -2.953 12.644 -13.830 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -4.665 12.428 -13.524 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -2.072 14.672 -13.883 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -2.992 16.148 -13.569 1.00 0.00 H new ATOM 1840 N GLY A 113 -1.874 10.076 -9.969 1.00 0.00 N ATOM 1841 CA GLY A 113 -1.544 9.611 -8.634 1.00 0.00 C ATOM 1842 C GLY A 113 -0.668 8.374 -8.651 1.00 0.00 C ATOM 1843 O GLY A 113 -0.693 7.601 -9.609 1.00 0.00 O ATOM 0 H GLY A 113 -1.074 10.194 -10.591 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.033 10.407 -8.091 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.464 9.394 -8.091 1.00 0.00 H new ATOM 1847 N ARG A 114 0.109 8.187 -7.589 1.00 0.00 N ATOM 1848 CA ARG A 114 0.999 7.037 -7.487 1.00 0.00 C ATOM 1849 C ARG A 114 1.402 6.788 -6.036 1.00 0.00 C ATOM 1850 O ARG A 114 1.804 7.711 -5.327 1.00 0.00 O ATOM 1851 CB ARG A 114 2.247 7.253 -8.345 1.00 0.00 C ATOM 1852 CG ARG A 114 2.881 8.622 -8.163 1.00 0.00 C ATOM 1853 CD ARG A 114 4.377 8.584 -8.432 1.00 0.00 C ATOM 1854 NE ARG A 114 4.680 8.703 -9.856 1.00 0.00 N ATOM 1855 CZ ARG A 114 5.906 8.595 -10.357 1.00 0.00 C ATOM 1856 NH1 ARG A 114 6.937 8.367 -9.555 1.00 0.00 N ATOM 1857 NH2 ARG A 114 6.102 8.715 -11.664 1.00 0.00 N ATOM 0 H ARG A 114 0.140 8.817 -6.787 1.00 0.00 H new ATOM 0 HA ARG A 114 0.463 6.161 -7.852 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.982 6.486 -8.101 1.00 0.00 H new ATOM 0 HB3 ARG A 114 1.984 7.120 -9.394 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.407 9.336 -8.837 1.00 0.00 H new ATOM 0 HG3 ARG A 114 2.702 8.975 -7.147 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.864 9.394 -7.889 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.790 7.651 -8.050 1.00 0.00 H new ATOM 0 HE ARG A 114 3.909 8.878 -10.500 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.790 8.274 -8.550 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.877 8.285 -9.943 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.311 8.890 -12.284 1.00 0.00 H new ATOM 0 HH22 ARG A 114 7.043 8.632 -12.048 1.00 0.00 H new ATOM 1871 N MET A 115 1.291 5.537 -5.603 1.00 0.00 N ATOM 1872 CA MET A 115 1.645 5.168 -4.237 1.00 0.00 C ATOM 1873 C MET A 115 2.588 3.969 -4.225 1.00 0.00 C ATOM 1874 O MET A 115 2.557 3.133 -5.129 1.00 0.00 O ATOM 1875 CB MET A 115 0.386 4.849 -3.429 1.00 0.00 C ATOM 1876 CG MET A 115 -0.389 3.653 -3.958 1.00 0.00 C ATOM 1877 SD MET A 115 -1.697 3.121 -2.837 1.00 0.00 S ATOM 1878 CE MET A 115 -2.491 4.685 -2.477 1.00 0.00 C ATOM 0 H MET A 115 0.959 4.762 -6.177 1.00 0.00 H new ATOM 0 HA MET A 115 2.156 6.015 -3.780 1.00 0.00 H new ATOM 0 HB2 MET A 115 0.667 4.660 -2.393 1.00 0.00 H new ATOM 0 HB3 MET A 115 -0.266 5.722 -3.428 1.00 0.00 H new ATOM 0 HG2 MET A 115 -0.825 3.906 -4.924 1.00 0.00 H new ATOM 0 HG3 MET A 115 0.299 2.825 -4.126 1.00 0.00 H new ATOM 0 HE1 MET A 115 -3.553 4.520 -2.292 1.00 0.00 H new ATOM 0 HE2 MET A 115 -2.034 5.130 -1.593 1.00 0.00 H new ATOM 0 HE3 MET A 115 -2.371 5.358 -3.326 1.00 0.00 H new ATOM 1888 N LEU A 116 3.425 3.891 -3.196 1.00 0.00 N ATOM 1889 CA LEU A 116 4.378 2.793 -3.067 1.00 0.00 C ATOM 1890 C LEU A 116 3.735 1.592 -2.380 1.00 0.00 C ATOM 1891 O LEU A 116 3.073 1.734 -1.352 1.00 0.00 O ATOM 1892 CB LEU A 116 5.606 3.249 -2.278 1.00 0.00 C ATOM 1893 CG LEU A 116 6.959 2.770 -2.807 1.00 0.00 C ATOM 1894 CD1 LEU A 116 8.070 3.128 -1.832 1.00 0.00 C ATOM 1895 CD2 LEU A 116 6.932 1.270 -3.060 1.00 0.00 C ATOM 0 H LEU A 116 3.463 4.574 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 116 4.687 2.493 -4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.613 4.339 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 116 5.499 2.907 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 116 7.157 3.274 -3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 116 9.025 2.779 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.104 4.210 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.878 2.652 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 116 7.903 0.947 -3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.711 0.748 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.162 1.039 -3.797 1.00 0.00 H new ATOM 1907 N MET A 117 3.936 0.411 -2.955 1.00 0.00 N ATOM 1908 CA MET A 117 3.378 -0.815 -2.396 1.00 0.00 C ATOM 1909 C MET A 117 4.486 -1.798 -2.029 1.00 0.00 C ATOM 1910 O MET A 117 5.041 -2.473 -2.894 1.00 0.00 O ATOM 1911 CB MET A 117 2.415 -1.463 -3.393 1.00 0.00 C ATOM 1912 CG MET A 117 1.584 -2.585 -2.792 1.00 0.00 C ATOM 1913 SD MET A 117 0.715 -3.551 -4.042 1.00 0.00 S ATOM 1914 CE MET A 117 2.093 -4.237 -4.959 1.00 0.00 C ATOM 0 H MET A 117 4.481 0.277 -3.807 1.00 0.00 H new ATOM 0 HA MET A 117 2.831 -0.556 -1.489 1.00 0.00 H new ATOM 0 HB2 MET A 117 1.747 -0.699 -3.789 1.00 0.00 H new ATOM 0 HB3 MET A 117 2.986 -1.855 -4.235 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.233 -3.244 -2.215 1.00 0.00 H new ATOM 0 HG3 MET A 117 0.859 -2.163 -2.096 1.00 0.00 H new ATOM 0 HE1 MET A 117 1.797 -5.187 -5.403 1.00 0.00 H new ATOM 0 HE2 MET A 117 2.387 -3.544 -5.747 1.00 0.00 H new ATOM 0 HE3 MET A 117 2.935 -4.398 -4.285 1.00 0.00 H new ATOM 1924 N ASN A 118 4.801 -1.872 -0.740 1.00 0.00 N ATOM 1925 CA ASN A 118 5.843 -2.772 -0.259 1.00 0.00 C ATOM 1926 C ASN A 118 5.247 -4.100 0.198 1.00 0.00 C ATOM 1927 O ASN A 118 4.636 -4.184 1.263 1.00 0.00 O ATOM 1928 CB ASN A 118 6.614 -2.123 0.893 1.00 0.00 C ATOM 1929 CG ASN A 118 6.738 -0.620 0.732 1.00 0.00 C ATOM 1930 OD1 ASN A 118 6.328 0.145 1.606 1.00 0.00 O ATOM 1931 ND2 ASN A 118 7.305 -0.190 -0.389 1.00 0.00 N ATOM 0 H ASN A 118 4.350 -1.320 -0.010 1.00 0.00 H new ATOM 0 HA ASN A 118 6.529 -2.967 -1.083 1.00 0.00 H new ATOM 0 HB2 ASN A 118 6.110 -2.344 1.834 1.00 0.00 H new ATOM 0 HB3 ASN A 118 7.610 -2.563 0.953 1.00 0.00 H new ATOM 0 HD21 ASN A 118 7.415 0.811 -0.553 1.00 0.00 H new ATOM 0 HD22 ASN A 118 7.630 -0.860 -1.086 1.00 0.00 H new ATOM 1938 N ALA A 119 5.429 -5.135 -0.616 1.00 0.00 N ATOM 1939 CA ALA A 119 4.912 -6.459 -0.295 1.00 0.00 C ATOM 1940 C ALA A 119 5.998 -7.339 0.316 1.00 0.00 C ATOM 1941 O ALA A 119 7.109 -7.422 -0.206 1.00 0.00 O ATOM 1942 CB ALA A 119 4.336 -7.117 -1.540 1.00 0.00 C ATOM 0 H ALA A 119 5.931 -5.082 -1.502 1.00 0.00 H new ATOM 0 HA ALA A 119 4.117 -6.343 0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.954 -8.105 -1.285 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.525 -6.504 -1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.116 -7.213 -2.295 1.00 0.00 H new ATOM 1948 N ARG A 120 5.668 -7.993 1.425 1.00 0.00 N ATOM 1949 CA ARG A 120 6.616 -8.866 2.108 1.00 0.00 C ATOM 1950 C ARG A 120 6.113 -10.306 2.126 1.00 0.00 C ATOM 1951 O ARG A 120 4.922 -10.561 1.949 1.00 0.00 O ATOM 1952 CB ARG A 120 6.851 -8.378 3.538 1.00 0.00 C ATOM 1953 CG ARG A 120 7.821 -7.212 3.633 1.00 0.00 C ATOM 1954 CD ARG A 120 7.790 -6.572 5.012 1.00 0.00 C ATOM 1955 NE ARG A 120 8.106 -5.147 4.962 1.00 0.00 N ATOM 1956 CZ ARG A 120 7.305 -4.235 4.421 1.00 0.00 C ATOM 1957 NH1 ARG A 120 6.147 -4.598 3.888 1.00 0.00 N ATOM 1958 NH2 ARG A 120 7.663 -2.958 4.413 1.00 0.00 N ATOM 0 H ARG A 120 4.752 -7.935 1.870 1.00 0.00 H new ATOM 0 HA ARG A 120 7.559 -8.836 1.562 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.897 -8.082 3.973 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.231 -9.205 4.137 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.831 -7.559 3.414 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.570 -6.466 2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 120 6.803 -6.709 5.453 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.503 -7.079 5.663 1.00 0.00 H new ATOM 0 HE ARG A 120 8.990 -4.835 5.364 1.00 0.00 H new ATOM 0 HH11 ARG A 120 5.869 -5.579 3.892 1.00 0.00 H new ATOM 0 HH12 ARG A 120 5.534 -3.896 3.473 1.00 0.00 H new ATOM 0 HH21 ARG A 120 8.554 -2.675 4.822 1.00 0.00 H new ATOM 0 HH22 ARG A 120 7.048 -2.258 3.998 1.00 0.00 H new ATOM 1972 N TYR A 121 7.029 -11.244 2.340 1.00 0.00 N ATOM 1973 CA TYR A 121 6.680 -12.659 2.378 1.00 0.00 C ATOM 1974 C TYR A 121 6.799 -13.212 3.795 1.00 0.00 C ATOM 1975 O TYR A 121 7.901 -13.456 4.288 1.00 0.00 O ATOM 1976 CB TYR A 121 7.581 -13.454 1.431 1.00 0.00 C ATOM 1977 CG TYR A 121 6.963 -14.748 0.951 1.00 0.00 C ATOM 1978 CD1 TYR A 121 6.112 -14.769 -0.146 1.00 0.00 C ATOM 1979 CD2 TYR A 121 7.232 -15.950 1.595 1.00 0.00 C ATOM 1980 CE1 TYR A 121 5.544 -15.949 -0.588 1.00 0.00 C ATOM 1981 CE2 TYR A 121 6.670 -17.134 1.160 1.00 0.00 C ATOM 1982 CZ TYR A 121 5.827 -17.129 0.068 1.00 0.00 C ATOM 1983 OH TYR A 121 5.265 -18.306 -0.369 1.00 0.00 O ATOM 0 H TYR A 121 8.019 -11.050 2.490 1.00 0.00 H new ATOM 0 HA TYR A 121 5.644 -12.760 2.054 1.00 0.00 H new ATOM 0 HB2 TYR A 121 7.823 -12.834 0.567 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.520 -13.676 1.937 1.00 0.00 H new ATOM 0 HD1 TYR A 121 5.890 -13.847 -0.663 1.00 0.00 H new ATOM 0 HD2 TYR A 121 7.892 -15.958 2.450 1.00 0.00 H new ATOM 0 HE1 TYR A 121 4.883 -15.947 -1.442 1.00 0.00 H new ATOM 0 HE2 TYR A 121 6.889 -18.059 1.672 1.00 0.00 H new ATOM 0 HH TYR A 121 5.567 -19.044 0.201 1.00 0.00 H new ATOM 1993 N PHE A 122 5.657 -13.407 4.445 1.00 0.00 N ATOM 1994 CA PHE A 122 5.631 -13.931 5.806 1.00 0.00 C ATOM 1995 C PHE A 122 4.579 -15.027 5.947 1.00 0.00 C ATOM 1996 O PHE A 122 3.591 -15.054 5.212 1.00 0.00 O ATOM 1997 CB PHE A 122 5.348 -12.805 6.803 1.00 0.00 C ATOM 1998 CG PHE A 122 6.401 -11.734 6.812 1.00 0.00 C ATOM 1999 CD1 PHE A 122 7.743 -12.064 6.914 1.00 0.00 C ATOM 2000 CD2 PHE A 122 6.049 -10.397 6.720 1.00 0.00 C ATOM 2001 CE1 PHE A 122 8.714 -11.081 6.922 1.00 0.00 C ATOM 2002 CE2 PHE A 122 7.016 -9.410 6.727 1.00 0.00 C ATOM 2003 CZ PHE A 122 8.350 -9.752 6.830 1.00 0.00 C ATOM 0 H PHE A 122 4.737 -13.210 4.051 1.00 0.00 H new ATOM 0 HA PHE A 122 6.609 -14.361 6.022 1.00 0.00 H new ATOM 0 HB2 PHE A 122 4.384 -12.354 6.566 1.00 0.00 H new ATOM 0 HB3 PHE A 122 5.264 -13.229 7.804 1.00 0.00 H new ATOM 0 HD1 PHE A 122 8.033 -13.102 6.988 1.00 0.00 H new ATOM 0 HD2 PHE A 122 5.007 -10.123 6.642 1.00 0.00 H new ATOM 0 HE1 PHE A 122 9.757 -11.352 7.000 1.00 0.00 H new ATOM 0 HE2 PHE A 122 6.729 -8.372 6.652 1.00 0.00 H new ATOM 0 HZ PHE A 122 9.107 -8.982 6.839 1.00 0.00 H new ATOM 2013 N LEU A 123 4.798 -15.930 6.896 1.00 0.00 N ATOM 2014 CA LEU A 123 3.869 -17.030 7.135 1.00 0.00 C ATOM 2015 C LEU A 123 3.093 -16.815 8.430 1.00 0.00 C ATOM 2016 O LEU A 123 3.414 -15.925 9.217 1.00 0.00 O ATOM 2017 CB LEU A 123 4.626 -18.358 7.194 1.00 0.00 C ATOM 2018 CG LEU A 123 4.652 -19.174 5.901 1.00 0.00 C ATOM 2019 CD1 LEU A 123 5.770 -18.694 4.989 1.00 0.00 C ATOM 2020 CD2 LEU A 123 4.811 -20.656 6.209 1.00 0.00 C ATOM 0 H LEU A 123 5.610 -15.923 7.513 1.00 0.00 H new ATOM 0 HA LEU A 123 3.159 -17.060 6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 123 5.654 -18.154 7.492 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.183 -18.971 7.978 1.00 0.00 H new ATOM 0 HG LEU A 123 3.703 -19.030 5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 123 5.773 -19.286 4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 123 5.612 -17.644 4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 123 6.728 -18.807 5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.827 -21.222 5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 123 5.744 -20.817 6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 123 3.975 -20.992 6.823 1.00 0.00 H new