USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 535 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -60:sc= 0.296 USER MOD Single : A 20 CYS SG : rot 180:sc= -0.0703 USER MOD Single : A 21 SER OG : rot -118:sc= -0.577 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= -0.0166 (180deg=-0.795) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-2.2) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 67:sc= -2.17! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 51 SER OG : rot 180:sc= -0.131 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -108:sc= -0.0142 (180deg=-0.253) USER MOD Single : A 56 GLN : amide:sc= -1.43 K(o=-1.4,f=0.021) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.208 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N PRO A 9 3.161 17.312 0.855 1.00 0.00 N ATOM 137 CA PRO A 9 2.892 15.883 0.560 1.00 0.00 C ATOM 138 C PRO A 9 1.443 15.533 0.909 1.00 0.00 C ATOM 139 O PRO A 9 0.925 15.952 1.928 1.00 0.00 O ATOM 140 CB PRO A 9 3.863 15.135 1.467 1.00 0.00 C ATOM 141 CG PRO A 9 4.141 16.072 2.599 1.00 0.00 C ATOM 142 CD PRO A 9 3.984 17.474 2.068 1.00 0.00 C ATOM 0 HA PRO A 9 3.024 15.632 -0.492 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.428 14.202 1.826 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.779 14.876 0.936 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.451 15.894 3.424 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.148 15.918 2.987 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.497 18.123 2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.950 17.923 1.837 1.00 0.00 H new ATOM 150 N LYS A 10 0.788 14.768 0.073 1.00 0.00 N ATOM 151 CA LYS A 10 -0.629 14.384 0.354 1.00 0.00 C ATOM 152 C LYS A 10 -0.707 13.591 1.661 1.00 0.00 C ATOM 153 O LYS A 10 0.233 13.568 2.434 1.00 0.00 O ATOM 154 CB LYS A 10 -1.063 13.520 -0.838 1.00 0.00 C ATOM 155 CG LYS A 10 -0.143 12.293 -0.966 1.00 0.00 C ATOM 156 CD LYS A 10 0.617 12.348 -2.295 1.00 0.00 C ATOM 157 CE LYS A 10 1.415 11.055 -2.479 1.00 0.00 C ATOM 158 NZ LYS A 10 1.799 11.042 -3.919 1.00 0.00 N ATOM 0 H LYS A 10 1.174 14.392 -0.793 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.277 15.253 0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.096 13.197 -0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.027 14.108 -1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.562 12.268 -0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.733 11.378 -0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.082 12.477 -3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.288 13.207 -2.308 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.295 11.039 -1.836 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.816 10.181 -2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.350 10.184 -4.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.941 11.051 -4.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.374 11.882 -4.133 1.00 0.00 H new ATOM 172 N ARG A 11 -1.815 12.941 1.914 1.00 0.00 N ATOM 173 CA ARG A 11 -1.949 12.148 3.176 1.00 0.00 C ATOM 174 C ARG A 11 -1.055 10.900 3.116 1.00 0.00 C ATOM 175 O ARG A 11 -0.880 10.325 2.060 1.00 0.00 O ATOM 176 CB ARG A 11 -3.423 11.743 3.242 1.00 0.00 C ATOM 177 CG ARG A 11 -4.189 12.733 4.121 1.00 0.00 C ATOM 178 CD ARG A 11 -4.437 14.024 3.339 1.00 0.00 C ATOM 179 NE ARG A 11 -5.113 14.935 4.303 1.00 0.00 N ATOM 180 CZ ARG A 11 -6.414 14.936 4.397 1.00 0.00 C ATOM 181 NH1 ARG A 11 -7.138 15.421 3.425 1.00 0.00 N ATOM 182 NH2 ARG A 11 -6.993 14.451 5.462 1.00 0.00 N ATOM 0 H ARG A 11 -2.632 12.925 1.303 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.644 12.719 4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.851 11.725 2.240 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.516 10.735 3.646 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.138 12.298 4.435 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.621 12.947 5.026 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.502 14.453 2.980 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.061 13.842 2.464 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.559 15.558 4.890 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.686 15.799 2.592 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.155 15.422 3.498 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.428 14.071 6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.010 14.452 5.535 1.00 0.00 H new ATOM 196 N PRO A 12 -0.516 10.507 4.253 1.00 0.00 N ATOM 197 CA PRO A 12 0.356 9.310 4.288 1.00 0.00 C ATOM 198 C PRO A 12 -0.500 8.033 4.214 1.00 0.00 C ATOM 199 O PRO A 12 -1.437 7.887 4.974 1.00 0.00 O ATOM 200 CB PRO A 12 1.056 9.411 5.638 1.00 0.00 C ATOM 201 CG PRO A 12 0.145 10.229 6.496 1.00 0.00 C ATOM 202 CD PRO A 12 -0.657 11.122 5.583 1.00 0.00 C ATOM 0 HA PRO A 12 1.057 9.264 3.455 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.221 8.424 6.070 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.033 9.884 5.540 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.514 9.585 7.078 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.719 10.824 7.207 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.702 11.169 5.890 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.276 12.143 5.591 1.00 0.00 H new ATOM 210 N PRO A 13 -0.163 7.142 3.303 1.00 0.00 N ATOM 211 CA PRO A 13 -0.938 5.890 3.166 1.00 0.00 C ATOM 212 C PRO A 13 -0.481 4.869 4.211 1.00 0.00 C ATOM 213 O PRO A 13 0.347 5.163 5.052 1.00 0.00 O ATOM 214 CB PRO A 13 -0.605 5.416 1.757 1.00 0.00 C ATOM 215 CG PRO A 13 0.730 6.015 1.432 1.00 0.00 C ATOM 216 CD PRO A 13 0.941 7.207 2.334 1.00 0.00 C ATOM 0 HA PRO A 13 -2.009 6.025 3.320 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.568 4.328 1.709 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.364 5.741 1.045 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.522 5.281 1.579 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.767 6.318 0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.909 7.160 2.833 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.918 8.139 1.770 1.00 0.00 H new ATOM 224 N SER A 14 -1.017 3.673 4.165 1.00 0.00 N ATOM 225 CA SER A 14 -0.613 2.633 5.160 1.00 0.00 C ATOM 226 C SER A 14 -1.147 1.256 4.749 1.00 0.00 C ATOM 227 O SER A 14 -1.864 0.613 5.492 1.00 0.00 O ATOM 228 CB SER A 14 -1.244 3.081 6.480 1.00 0.00 C ATOM 229 OG SER A 14 -0.849 2.192 7.516 1.00 0.00 O ATOM 0 H SER A 14 -1.714 3.374 3.483 1.00 0.00 H new ATOM 0 HA SER A 14 0.470 2.538 5.235 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.932 4.098 6.719 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.330 3.094 6.391 1.00 0.00 H new ATOM 0 HG SER A 14 -1.153 1.285 7.302 1.00 0.00 H new ATOM 235 N ALA A 15 -0.812 0.798 3.561 1.00 0.00 N ATOM 236 CA ALA A 15 -1.293 -0.536 3.061 1.00 0.00 C ATOM 237 C ALA A 15 -2.792 -0.479 2.763 1.00 0.00 C ATOM 238 O ALA A 15 -3.189 -0.402 1.615 1.00 0.00 O ATOM 239 CB ALA A 15 -0.978 -1.580 4.147 1.00 0.00 C ATOM 0 H ALA A 15 -0.215 1.302 2.905 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.791 -0.807 2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.315 -2.562 3.816 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.097 -1.606 4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.493 -1.312 5.070 1.00 0.00 H new ATOM 245 N PHE A 16 -3.631 -0.521 3.772 1.00 0.00 N ATOM 246 CA PHE A 16 -5.116 -0.471 3.536 1.00 0.00 C ATOM 247 C PHE A 16 -5.485 0.679 2.596 1.00 0.00 C ATOM 248 O PHE A 16 -6.193 0.494 1.624 1.00 0.00 O ATOM 249 CB PHE A 16 -5.721 -0.229 4.913 1.00 0.00 C ATOM 250 CG PHE A 16 -7.192 -0.571 4.885 1.00 0.00 C ATOM 251 CD1 PHE A 16 -7.602 -1.908 4.957 1.00 0.00 C ATOM 252 CD2 PHE A 16 -8.145 0.449 4.785 1.00 0.00 C ATOM 253 CE1 PHE A 16 -8.965 -2.223 4.930 1.00 0.00 C ATOM 254 CE2 PHE A 16 -9.509 0.133 4.758 1.00 0.00 C ATOM 255 CZ PHE A 16 -9.919 -1.204 4.831 1.00 0.00 C ATOM 0 H PHE A 16 -3.354 -0.588 4.751 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.480 -1.387 3.070 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.210 -0.838 5.659 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.585 0.813 5.204 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.867 -2.695 5.033 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.828 1.480 4.729 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.281 -3.254 4.986 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -10.244 0.920 4.681 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.971 -1.449 4.811 1.00 0.00 H new ATOM 265 N PHE A 17 -4.998 1.862 2.875 1.00 0.00 N ATOM 266 CA PHE A 17 -5.305 3.030 1.992 1.00 0.00 C ATOM 267 C PHE A 17 -4.842 2.726 0.565 1.00 0.00 C ATOM 268 O PHE A 17 -5.488 3.087 -0.400 1.00 0.00 O ATOM 269 CB PHE A 17 -4.512 4.200 2.577 1.00 0.00 C ATOM 270 CG PHE A 17 -5.259 5.490 2.332 1.00 0.00 C ATOM 271 CD1 PHE A 17 -6.401 5.791 3.083 1.00 0.00 C ATOM 272 CD2 PHE A 17 -4.809 6.384 1.353 1.00 0.00 C ATOM 273 CE1 PHE A 17 -7.092 6.987 2.857 1.00 0.00 C ATOM 274 CE2 PHE A 17 -5.501 7.579 1.127 1.00 0.00 C ATOM 275 CZ PHE A 17 -6.643 7.881 1.878 1.00 0.00 C ATOM 0 H PHE A 17 -4.401 2.070 3.676 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.371 3.253 1.950 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.362 4.052 3.646 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.524 4.248 2.120 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.749 5.100 3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.928 6.151 0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.972 7.220 3.438 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.154 8.269 0.372 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.177 8.803 1.702 1.00 0.00 H new ATOM 285 N LEU A 18 -3.723 2.059 0.434 1.00 0.00 N ATOM 286 CA LEU A 18 -3.201 1.718 -0.923 1.00 0.00 C ATOM 287 C LEU A 18 -4.133 0.717 -1.605 1.00 0.00 C ATOM 288 O LEU A 18 -4.473 0.867 -2.762 1.00 0.00 O ATOM 289 CB LEU A 18 -1.822 1.077 -0.699 1.00 0.00 C ATOM 290 CG LEU A 18 -0.910 2.000 0.128 1.00 0.00 C ATOM 291 CD1 LEU A 18 0.477 1.363 0.246 1.00 0.00 C ATOM 292 CD2 LEU A 18 -0.779 3.366 -0.557 1.00 0.00 C ATOM 0 H LEU A 18 -3.147 1.735 1.211 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.136 2.601 -1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.940 0.123 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.355 0.866 -1.661 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.345 2.137 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.127 2.013 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.392 0.395 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.901 1.227 -0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.131 4.010 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.348 3.235 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.764 3.824 -0.646 1.00 0.00 H new ATOM 304 N PHE A 19 -4.551 -0.302 -0.894 1.00 0.00 N ATOM 305 CA PHE A 19 -5.468 -1.316 -1.500 1.00 0.00 C ATOM 306 C PHE A 19 -6.793 -0.655 -1.873 1.00 0.00 C ATOM 307 O PHE A 19 -7.269 -0.786 -2.985 1.00 0.00 O ATOM 308 CB PHE A 19 -5.683 -2.373 -0.413 1.00 0.00 C ATOM 309 CG PHE A 19 -6.343 -3.589 -1.017 1.00 0.00 C ATOM 310 CD1 PHE A 19 -5.590 -4.486 -1.785 1.00 0.00 C ATOM 311 CD2 PHE A 19 -7.708 -3.819 -0.812 1.00 0.00 C ATOM 312 CE1 PHE A 19 -6.202 -5.612 -2.346 1.00 0.00 C ATOM 313 CE2 PHE A 19 -8.320 -4.946 -1.372 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.568 -5.843 -2.140 1.00 0.00 C ATOM 0 H PHE A 19 -4.297 -0.475 0.079 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.056 -1.755 -2.409 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.728 -2.649 0.035 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.304 -1.968 0.386 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.537 -4.308 -1.944 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -8.289 -3.126 -0.221 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.621 -6.303 -2.938 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.373 -5.124 -1.212 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.041 -6.712 -2.573 1.00 0.00 H new ATOM 324 N CYS A 20 -7.384 0.066 -0.953 1.00 0.00 N ATOM 325 CA CYS A 20 -8.675 0.753 -1.256 1.00 0.00 C ATOM 326 C CYS A 20 -8.460 1.783 -2.370 1.00 0.00 C ATOM 327 O CYS A 20 -9.356 2.077 -3.138 1.00 0.00 O ATOM 328 CB CYS A 20 -9.082 1.447 0.046 1.00 0.00 C ATOM 329 SG CYS A 20 -10.844 1.853 -0.012 1.00 0.00 S ATOM 0 H CYS A 20 -7.029 0.208 -0.008 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.444 0.060 -1.596 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.875 0.798 0.897 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.493 2.354 0.187 1.00 0.00 H new ATOM 0 HG CYS A 20 -11.191 2.441 1.095 1.00 0.00 H new ATOM 335 N SER A 21 -7.273 2.331 -2.457 1.00 0.00 N ATOM 336 CA SER A 21 -6.985 3.344 -3.514 1.00 0.00 C ATOM 337 C SER A 21 -6.340 2.689 -4.744 1.00 0.00 C ATOM 338 O SER A 21 -5.797 3.369 -5.594 1.00 0.00 O ATOM 339 CB SER A 21 -6.013 4.326 -2.862 1.00 0.00 C ATOM 340 OG SER A 21 -4.749 3.695 -2.700 1.00 0.00 O ATOM 0 H SER A 21 -6.490 2.118 -1.839 1.00 0.00 H new ATOM 0 HA SER A 21 -7.894 3.831 -3.866 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.911 5.219 -3.479 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.398 4.649 -1.895 1.00 0.00 H new ATOM 0 HG SER A 21 -4.527 3.647 -1.747 1.00 0.00 H new ATOM 346 N GLU A 22 -6.396 1.380 -4.854 1.00 0.00 N ATOM 347 CA GLU A 22 -5.786 0.701 -6.042 1.00 0.00 C ATOM 348 C GLU A 22 -6.667 -0.454 -6.562 1.00 0.00 C ATOM 349 O GLU A 22 -6.355 -1.056 -7.573 1.00 0.00 O ATOM 350 CB GLU A 22 -4.451 0.156 -5.546 1.00 0.00 C ATOM 351 CG GLU A 22 -3.468 1.310 -5.337 1.00 0.00 C ATOM 352 CD GLU A 22 -3.100 1.918 -6.691 1.00 0.00 C ATOM 353 OE1 GLU A 22 -2.395 1.261 -7.441 1.00 0.00 O ATOM 354 OE2 GLU A 22 -3.527 3.030 -6.956 1.00 0.00 O ATOM 0 H GLU A 22 -6.835 0.757 -4.176 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.677 1.396 -6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.593 -0.387 -4.612 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.046 -0.553 -6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.914 2.069 -4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.571 0.951 -4.832 1.00 0.00 H new ATOM 361 N TYR A 23 -7.750 -0.779 -5.889 1.00 0.00 N ATOM 362 CA TYR A 23 -8.620 -1.903 -6.359 1.00 0.00 C ATOM 363 C TYR A 23 -10.049 -1.413 -6.629 1.00 0.00 C ATOM 364 O TYR A 23 -10.749 -1.961 -7.456 1.00 0.00 O ATOM 365 CB TYR A 23 -8.612 -2.913 -5.210 1.00 0.00 C ATOM 366 CG TYR A 23 -7.547 -3.955 -5.457 1.00 0.00 C ATOM 367 CD1 TYR A 23 -6.201 -3.649 -5.219 1.00 0.00 C ATOM 368 CD2 TYR A 23 -7.905 -5.225 -5.924 1.00 0.00 C ATOM 369 CE1 TYR A 23 -5.214 -4.615 -5.449 1.00 0.00 C ATOM 370 CE2 TYR A 23 -6.917 -6.190 -6.154 1.00 0.00 C ATOM 371 CZ TYR A 23 -5.572 -5.886 -5.916 1.00 0.00 C ATOM 372 OH TYR A 23 -4.599 -6.837 -6.142 1.00 0.00 O ATOM 0 H TYR A 23 -8.066 -0.314 -5.038 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.258 -2.333 -7.293 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.423 -2.403 -4.266 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.588 -3.390 -5.125 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.925 -2.669 -4.859 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.943 -5.460 -6.107 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.176 -4.380 -5.266 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.193 -7.170 -6.515 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.017 -7.663 -6.463 1.00 0.00 H new ATOM 382 N ARG A 24 -10.491 -0.396 -5.929 1.00 0.00 N ATOM 383 CA ARG A 24 -11.879 0.130 -6.130 1.00 0.00 C ATOM 384 C ARG A 24 -12.222 0.333 -7.616 1.00 0.00 C ATOM 385 O ARG A 24 -13.222 -0.183 -8.061 1.00 0.00 O ATOM 386 CB ARG A 24 -11.925 1.463 -5.394 1.00 0.00 C ATOM 387 CG ARG A 24 -12.048 1.213 -3.889 1.00 0.00 C ATOM 388 CD ARG A 24 -12.306 2.538 -3.168 1.00 0.00 C ATOM 389 NE ARG A 24 -13.317 2.216 -2.125 1.00 0.00 N ATOM 390 CZ ARG A 24 -14.387 2.955 -2.003 1.00 0.00 C ATOM 391 NH1 ARG A 24 -15.271 2.988 -2.963 1.00 0.00 N ATOM 392 NH2 ARG A 24 -14.571 3.662 -0.922 1.00 0.00 N ATOM 0 H ARG A 24 -9.946 0.096 -5.221 1.00 0.00 H new ATOM 0 HA ARG A 24 -12.611 -0.583 -5.751 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.023 2.038 -5.605 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.770 2.055 -5.745 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.862 0.515 -3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.135 0.753 -3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.391 2.931 -2.724 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.677 3.297 -3.857 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.175 1.418 -1.505 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -15.126 2.437 -3.809 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -16.106 3.565 -2.867 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.879 3.637 -0.173 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.406 4.239 -0.826 1.00 0.00 H new ATOM 406 N PRO A 25 -11.395 1.067 -8.350 1.00 0.00 N ATOM 407 CA PRO A 25 -11.682 1.306 -9.798 1.00 0.00 C ATOM 408 C PRO A 25 -11.772 -0.023 -10.544 1.00 0.00 C ATOM 409 O PRO A 25 -12.489 -0.147 -11.521 1.00 0.00 O ATOM 410 CB PRO A 25 -10.505 2.166 -10.262 1.00 0.00 C ATOM 411 CG PRO A 25 -9.428 1.882 -9.271 1.00 0.00 C ATOM 412 CD PRO A 25 -10.134 1.715 -7.952 1.00 0.00 C ATOM 0 HA PRO A 25 -12.635 1.801 -9.984 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.195 1.903 -11.273 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.766 3.224 -10.274 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.876 0.981 -9.538 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.706 2.698 -9.230 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.561 1.098 -7.259 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.306 2.672 -7.459 1.00 0.00 H new ATOM 420 N LYS A 26 -11.089 -1.028 -10.063 1.00 0.00 N ATOM 421 CA LYS A 26 -11.178 -2.366 -10.712 1.00 0.00 C ATOM 422 C LYS A 26 -12.577 -2.915 -10.455 1.00 0.00 C ATOM 423 O LYS A 26 -13.241 -3.422 -11.339 1.00 0.00 O ATOM 424 CB LYS A 26 -10.145 -3.231 -9.999 1.00 0.00 C ATOM 425 CG LYS A 26 -9.868 -4.488 -10.825 1.00 0.00 C ATOM 426 CD LYS A 26 -10.956 -5.529 -10.551 1.00 0.00 C ATOM 427 CE LYS A 26 -10.430 -6.923 -10.899 1.00 0.00 C ATOM 428 NZ LYS A 26 -11.635 -7.798 -10.904 1.00 0.00 N ATOM 0 H LYS A 26 -10.475 -0.979 -9.250 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.997 -2.337 -11.787 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.223 -2.668 -9.854 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.508 -3.507 -9.009 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.845 -4.241 -11.886 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.889 -4.894 -10.571 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.253 -5.492 -9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.844 -5.306 -11.142 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.935 -6.927 -11.870 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.698 -7.263 -10.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.355 -8.773 -11.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.081 -7.779 -9.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.311 -7.454 -11.616 1.00 0.00 H new ATOM 442 N ILE A 27 -13.019 -2.804 -9.230 1.00 0.00 N ATOM 443 CA ILE A 27 -14.375 -3.300 -8.852 1.00 0.00 C ATOM 444 C ILE A 27 -15.462 -2.580 -9.655 1.00 0.00 C ATOM 445 O ILE A 27 -16.588 -3.027 -9.703 1.00 0.00 O ATOM 446 CB ILE A 27 -14.538 -2.941 -7.361 1.00 0.00 C ATOM 447 CG1 ILE A 27 -13.447 -3.612 -6.511 1.00 0.00 C ATOM 448 CG2 ILE A 27 -15.915 -3.393 -6.862 1.00 0.00 C ATOM 449 CD1 ILE A 27 -13.490 -5.128 -6.695 1.00 0.00 C ATOM 0 H ILE A 27 -12.490 -2.385 -8.465 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.471 -4.368 -9.047 1.00 0.00 H new ATOM 0 HB ILE A 27 -14.445 -1.860 -7.262 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.467 -3.231 -6.798 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -13.590 -3.362 -5.460 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -16.023 -3.136 -5.808 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.693 -2.893 -7.439 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -16.010 -4.472 -6.984 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.712 -5.590 -6.087 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -14.465 -5.505 -6.385 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -13.324 -5.372 -7.744 1.00 0.00 H new ATOM 461 N LYS A 28 -15.155 -1.459 -10.253 1.00 0.00 N ATOM 462 CA LYS A 28 -16.211 -0.714 -11.004 1.00 0.00 C ATOM 463 C LYS A 28 -16.306 -1.228 -12.440 1.00 0.00 C ATOM 464 O LYS A 28 -17.350 -1.157 -13.063 1.00 0.00 O ATOM 465 CB LYS A 28 -15.809 0.780 -10.977 1.00 0.00 C ATOM 466 CG LYS A 28 -15.146 1.201 -9.646 1.00 0.00 C ATOM 467 CD LYS A 28 -15.882 0.644 -8.409 1.00 0.00 C ATOM 468 CE LYS A 28 -17.363 1.033 -8.457 1.00 0.00 C ATOM 469 NZ LYS A 28 -17.371 2.520 -8.402 1.00 0.00 N ATOM 0 H LYS A 28 -14.230 -1.030 -10.255 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.191 -0.856 -10.549 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.122 0.981 -11.799 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.695 1.392 -11.145 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.113 0.855 -9.635 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.118 2.289 -9.587 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.784 -0.441 -8.376 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.425 1.033 -7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.838 0.669 -9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.911 0.604 -7.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.307 2.851 -8.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.649 2.846 -7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.162 2.903 -9.346 1.00 0.00 H new ATOM 483 N SER A 29 -15.230 -1.748 -12.970 1.00 0.00 N ATOM 484 CA SER A 29 -15.258 -2.271 -14.371 1.00 0.00 C ATOM 485 C SER A 29 -16.099 -3.554 -14.463 1.00 0.00 C ATOM 486 O SER A 29 -16.450 -3.987 -15.545 1.00 0.00 O ATOM 487 CB SER A 29 -13.798 -2.567 -14.717 1.00 0.00 C ATOM 488 OG SER A 29 -13.664 -2.682 -16.128 1.00 0.00 O ATOM 0 H SER A 29 -14.332 -1.834 -12.494 1.00 0.00 H new ATOM 0 HA SER A 29 -15.708 -1.554 -15.058 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.155 -1.771 -14.343 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.477 -3.490 -14.233 1.00 0.00 H new ATOM 0 HG SER A 29 -12.729 -2.870 -16.354 1.00 0.00 H new ATOM 494 N GLU A 30 -16.420 -4.171 -13.347 1.00 0.00 N ATOM 495 CA GLU A 30 -17.230 -5.430 -13.394 1.00 0.00 C ATOM 496 C GLU A 30 -18.382 -5.405 -12.378 1.00 0.00 C ATOM 497 O GLU A 30 -19.124 -6.365 -12.265 1.00 0.00 O ATOM 498 CB GLU A 30 -16.240 -6.543 -13.051 1.00 0.00 C ATOM 499 CG GLU A 30 -15.654 -7.122 -14.341 1.00 0.00 C ATOM 500 CD GLU A 30 -16.696 -8.011 -15.021 1.00 0.00 C ATOM 501 OE1 GLU A 30 -16.973 -9.075 -14.493 1.00 0.00 O ATOM 502 OE2 GLU A 30 -17.198 -7.614 -16.060 1.00 0.00 O ATOM 0 H GLU A 30 -16.157 -3.858 -12.412 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.697 -5.567 -14.370 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.442 -6.152 -12.420 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.741 -7.327 -12.483 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.355 -6.316 -15.011 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.757 -7.700 -14.118 1.00 0.00 H new ATOM 509 N HIS A 31 -18.557 -4.325 -11.654 1.00 0.00 N ATOM 510 CA HIS A 31 -19.684 -4.260 -10.670 1.00 0.00 C ATOM 511 C HIS A 31 -20.273 -2.842 -10.666 1.00 0.00 C ATOM 512 O HIS A 31 -19.789 -1.978 -9.961 1.00 0.00 O ATOM 513 CB HIS A 31 -19.095 -4.601 -9.291 1.00 0.00 C ATOM 514 CG HIS A 31 -18.295 -5.877 -9.360 1.00 0.00 C ATOM 515 ND1 HIS A 31 -16.911 -5.886 -9.277 1.00 0.00 N ATOM 516 CD2 HIS A 31 -18.670 -7.189 -9.504 1.00 0.00 C ATOM 517 CE1 HIS A 31 -16.508 -7.165 -9.370 1.00 0.00 C ATOM 518 NE2 HIS A 31 -17.540 -8.002 -9.510 1.00 0.00 N ATOM 0 H HIS A 31 -17.972 -3.491 -11.701 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.481 -4.958 -10.927 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.460 -3.784 -8.948 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -19.898 -4.707 -8.562 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -19.688 -7.538 -9.598 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -15.475 -7.478 -9.336 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -17.507 -9.017 -9.602 1.00 0.00 H new ATOM 526 N PRO A 32 -21.300 -2.639 -11.462 1.00 0.00 N ATOM 527 CA PRO A 32 -21.936 -1.304 -11.541 1.00 0.00 C ATOM 528 C PRO A 32 -22.783 -1.047 -10.298 1.00 0.00 C ATOM 529 O PRO A 32 -22.886 0.068 -9.823 1.00 0.00 O ATOM 530 CB PRO A 32 -22.806 -1.389 -12.789 1.00 0.00 C ATOM 531 CG PRO A 32 -23.088 -2.846 -12.984 1.00 0.00 C ATOM 532 CD PRO A 32 -21.961 -3.615 -12.346 1.00 0.00 C ATOM 0 HA PRO A 32 -21.215 -0.488 -11.592 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -23.730 -0.824 -12.662 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -22.292 -0.970 -13.654 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -24.041 -3.116 -12.530 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -23.162 -3.084 -14.045 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -22.334 -4.471 -11.783 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -21.271 -4.002 -13.096 1.00 0.00 H new ATOM 540 N GLY A 33 -23.383 -2.077 -9.767 1.00 0.00 N ATOM 541 CA GLY A 33 -24.222 -1.914 -8.550 1.00 0.00 C ATOM 542 C GLY A 33 -23.317 -1.667 -7.341 1.00 0.00 C ATOM 543 O GLY A 33 -23.696 -0.997 -6.404 1.00 0.00 O ATOM 0 H GLY A 33 -23.327 -3.030 -10.127 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.912 -1.080 -8.679 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -24.827 -2.806 -8.389 1.00 0.00 H new ATOM 547 N LEU A 34 -22.126 -2.221 -7.358 1.00 0.00 N ATOM 548 CA LEU A 34 -21.159 -2.052 -6.214 1.00 0.00 C ATOM 549 C LEU A 34 -21.070 -0.587 -5.748 1.00 0.00 C ATOM 550 O LEU A 34 -20.266 0.181 -6.240 1.00 0.00 O ATOM 551 CB LEU A 34 -19.800 -2.510 -6.778 1.00 0.00 C ATOM 552 CG LEU A 34 -19.262 -3.716 -5.990 1.00 0.00 C ATOM 553 CD1 LEU A 34 -18.973 -3.298 -4.548 1.00 0.00 C ATOM 554 CD2 LEU A 34 -20.287 -4.857 -5.999 1.00 0.00 C ATOM 0 H LEU A 34 -21.774 -2.792 -8.126 1.00 0.00 H new ATOM 0 HA LEU A 34 -21.475 -2.626 -5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -19.908 -2.776 -7.830 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -19.085 -1.689 -6.729 1.00 0.00 H new ATOM 0 HG LEU A 34 -18.343 -4.064 -6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.592 -4.154 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.230 -2.501 -4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.891 -2.941 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.893 -5.704 -5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -21.215 -4.516 -5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -20.483 -5.162 -7.027 1.00 0.00 H new ATOM 566 N SER A 35 -21.889 -0.207 -4.800 1.00 0.00 N ATOM 567 CA SER A 35 -21.859 1.195 -4.291 1.00 0.00 C ATOM 568 C SER A 35 -20.852 1.303 -3.143 1.00 0.00 C ATOM 569 O SER A 35 -20.346 0.307 -2.665 1.00 0.00 O ATOM 570 CB SER A 35 -23.277 1.469 -3.792 1.00 0.00 C ATOM 571 OG SER A 35 -23.392 2.838 -3.429 1.00 0.00 O ATOM 0 H SER A 35 -22.580 -0.812 -4.356 1.00 0.00 H new ATOM 0 HA SER A 35 -21.557 1.912 -5.055 1.00 0.00 H new ATOM 0 HB2 SER A 35 -24.002 1.225 -4.569 1.00 0.00 H new ATOM 0 HB3 SER A 35 -23.502 0.834 -2.935 1.00 0.00 H new ATOM 0 HG SER A 35 -24.301 3.017 -3.110 1.00 0.00 H new ATOM 577 N ILE A 36 -20.560 2.501 -2.693 1.00 0.00 N ATOM 578 CA ILE A 36 -19.579 2.668 -1.570 1.00 0.00 C ATOM 579 C ILE A 36 -19.986 1.790 -0.371 1.00 0.00 C ATOM 580 O ILE A 36 -19.156 1.411 0.434 1.00 0.00 O ATOM 581 CB ILE A 36 -19.609 4.167 -1.213 1.00 0.00 C ATOM 582 CG1 ILE A 36 -18.919 4.966 -2.329 1.00 0.00 C ATOM 583 CG2 ILE A 36 -18.860 4.413 0.106 1.00 0.00 C ATOM 584 CD1 ILE A 36 -19.965 5.515 -3.299 1.00 0.00 C ATOM 0 H ILE A 36 -20.957 3.369 -3.053 1.00 0.00 H new ATOM 0 HA ILE A 36 -18.573 2.355 -1.850 1.00 0.00 H new ATOM 0 HB ILE A 36 -20.646 4.484 -1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -18.344 5.786 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.215 4.328 -2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -18.888 5.476 0.348 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -19.336 3.846 0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.824 4.092 0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -19.469 6.080 -4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -20.521 4.688 -3.740 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -20.652 6.169 -2.762 1.00 0.00 H new ATOM 596 N GLY A 37 -21.248 1.460 -0.258 1.00 0.00 N ATOM 597 CA GLY A 37 -21.701 0.601 0.876 1.00 0.00 C ATOM 598 C GLY A 37 -21.010 -0.761 0.775 1.00 0.00 C ATOM 599 O GLY A 37 -20.196 -1.114 1.606 1.00 0.00 O ATOM 0 H GLY A 37 -21.984 1.749 -0.903 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -21.461 1.076 1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -22.784 0.477 0.846 1.00 0.00 H new ATOM 603 N ASP A 38 -21.323 -1.516 -0.246 1.00 0.00 N ATOM 604 CA ASP A 38 -20.681 -2.854 -0.418 1.00 0.00 C ATOM 605 C ASP A 38 -19.238 -2.690 -0.916 1.00 0.00 C ATOM 606 O ASP A 38 -18.386 -3.509 -0.647 1.00 0.00 O ATOM 607 CB ASP A 38 -21.529 -3.574 -1.469 1.00 0.00 C ATOM 608 CG ASP A 38 -21.335 -5.086 -1.332 1.00 0.00 C ATOM 609 OD1 ASP A 38 -20.221 -5.541 -1.533 1.00 0.00 O ATOM 610 OD2 ASP A 38 -22.305 -5.762 -1.029 1.00 0.00 O ATOM 0 H ASP A 38 -21.996 -1.264 -0.969 1.00 0.00 H new ATOM 0 HA ASP A 38 -20.635 -3.410 0.518 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -22.581 -3.318 -1.341 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -21.242 -3.249 -2.469 1.00 0.00 H new ATOM 615 N THR A 39 -18.966 -1.628 -1.628 1.00 0.00 N ATOM 616 CA THR A 39 -17.580 -1.394 -2.145 1.00 0.00 C ATOM 617 C THR A 39 -16.625 -1.079 -0.987 1.00 0.00 C ATOM 618 O THR A 39 -15.444 -1.359 -1.062 1.00 0.00 O ATOM 619 CB THR A 39 -17.699 -0.198 -3.097 1.00 0.00 C ATOM 620 OG1 THR A 39 -18.559 -0.540 -4.175 1.00 0.00 O ATOM 621 CG2 THR A 39 -16.320 0.180 -3.646 1.00 0.00 C ATOM 0 H THR A 39 -19.645 -0.908 -1.876 1.00 0.00 H new ATOM 0 HA THR A 39 -17.178 -2.271 -2.652 1.00 0.00 H new ATOM 0 HB THR A 39 -18.108 0.652 -2.552 1.00 0.00 H new ATOM 0 HG1 THR A 39 -19.471 -0.667 -3.839 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.418 1.030 -4.321 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.660 0.446 -2.820 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.900 -0.667 -4.188 1.00 0.00 H new ATOM 629 N ALA A 40 -17.125 -0.507 0.079 1.00 0.00 N ATOM 630 CA ALA A 40 -16.241 -0.181 1.239 1.00 0.00 C ATOM 631 C ALA A 40 -15.992 -1.439 2.077 1.00 0.00 C ATOM 632 O ALA A 40 -14.992 -1.548 2.762 1.00 0.00 O ATOM 633 CB ALA A 40 -17.013 0.859 2.053 1.00 0.00 C ATOM 0 H ALA A 40 -18.106 -0.252 0.196 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.267 0.194 0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.425 1.148 2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.203 1.737 1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -17.962 0.434 2.380 1.00 0.00 H new ATOM 639 N LYS A 41 -16.895 -2.387 2.024 1.00 0.00 N ATOM 640 CA LYS A 41 -16.710 -3.642 2.814 1.00 0.00 C ATOM 641 C LYS A 41 -16.301 -4.812 1.903 1.00 0.00 C ATOM 642 O LYS A 41 -15.886 -5.852 2.382 1.00 0.00 O ATOM 643 CB LYS A 41 -18.059 -3.908 3.503 1.00 0.00 C ATOM 644 CG LYS A 41 -19.137 -4.234 2.467 1.00 0.00 C ATOM 645 CD LYS A 41 -20.500 -4.320 3.156 1.00 0.00 C ATOM 646 CE LYS A 41 -20.991 -2.912 3.506 1.00 0.00 C ATOM 647 NZ LYS A 41 -21.629 -3.051 4.844 1.00 0.00 N ATOM 0 H LYS A 41 -17.750 -2.346 1.469 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.910 -3.540 3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -17.958 -4.736 4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -18.356 -3.034 4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -19.157 -3.466 1.694 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -18.908 -5.178 1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -21.218 -4.814 2.502 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -20.424 -4.924 4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -20.165 -2.201 3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -21.702 -2.546 2.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -21.991 -2.127 5.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -22.415 -3.729 4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.927 -3.395 5.530 1.00 0.00 H new ATOM 661 N LYS A 42 -16.399 -4.657 0.600 1.00 0.00 N ATOM 662 CA LYS A 42 -15.998 -5.765 -0.324 1.00 0.00 C ATOM 663 C LYS A 42 -14.484 -5.721 -0.592 1.00 0.00 C ATOM 664 O LYS A 42 -13.922 -6.648 -1.144 1.00 0.00 O ATOM 665 CB LYS A 42 -16.779 -5.502 -1.618 1.00 0.00 C ATOM 666 CG LYS A 42 -16.492 -6.606 -2.641 1.00 0.00 C ATOM 667 CD LYS A 42 -16.956 -7.959 -2.090 1.00 0.00 C ATOM 668 CE LYS A 42 -17.552 -8.799 -3.221 1.00 0.00 C ATOM 669 NZ LYS A 42 -17.092 -10.190 -2.952 1.00 0.00 N ATOM 0 H LYS A 42 -16.739 -3.812 0.140 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.215 -6.748 0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.847 -5.462 -1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.499 -4.532 -2.030 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.006 -6.389 -3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.425 -6.640 -2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.116 -8.485 -1.637 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -17.698 -7.808 -1.306 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.640 -8.737 -3.227 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.208 -8.451 -4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.461 -10.826 -3.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.052 -10.219 -2.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.441 -10.497 -2.022 1.00 0.00 H new ATOM 683 N LEU A 43 -13.820 -4.660 -0.192 1.00 0.00 N ATOM 684 CA LEU A 43 -12.346 -4.567 -0.405 1.00 0.00 C ATOM 685 C LEU A 43 -11.622 -5.156 0.807 1.00 0.00 C ATOM 686 O LEU A 43 -10.557 -5.733 0.691 1.00 0.00 O ATOM 687 CB LEU A 43 -12.058 -3.070 -0.532 1.00 0.00 C ATOM 688 CG LEU A 43 -12.609 -2.553 -1.860 1.00 0.00 C ATOM 689 CD1 LEU A 43 -12.811 -1.039 -1.772 1.00 0.00 C ATOM 690 CD2 LEU A 43 -11.617 -2.870 -2.982 1.00 0.00 C ATOM 0 H LEU A 43 -14.240 -3.855 0.273 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.009 -5.115 -1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.514 -2.530 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.984 -2.890 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.563 -3.036 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -13.204 -0.669 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.516 -0.812 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.857 -0.556 -1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.010 -2.501 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.663 -2.386 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.471 -3.948 -3.045 1.00 0.00 H new ATOM 702 N GLY A 44 -12.213 -5.024 1.967 1.00 0.00 N ATOM 703 CA GLY A 44 -11.591 -5.584 3.201 1.00 0.00 C ATOM 704 C GLY A 44 -11.652 -7.110 3.132 1.00 0.00 C ATOM 705 O GLY A 44 -10.784 -7.801 3.631 1.00 0.00 O ATOM 0 H GLY A 44 -13.104 -4.550 2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.557 -5.251 3.287 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.117 -5.224 4.086 1.00 0.00 H new ATOM 709 N GLU A 45 -12.679 -7.638 2.512 1.00 0.00 N ATOM 710 CA GLU A 45 -12.819 -9.125 2.395 1.00 0.00 C ATOM 711 C GLU A 45 -11.576 -9.733 1.734 1.00 0.00 C ATOM 712 O GLU A 45 -11.104 -10.782 2.131 1.00 0.00 O ATOM 713 CB GLU A 45 -14.055 -9.341 1.514 1.00 0.00 C ATOM 714 CG GLU A 45 -15.302 -9.426 2.395 1.00 0.00 C ATOM 715 CD GLU A 45 -16.552 -9.312 1.521 1.00 0.00 C ATOM 716 OE1 GLU A 45 -16.807 -10.232 0.762 1.00 0.00 O ATOM 717 OE2 GLU A 45 -17.235 -8.305 1.626 1.00 0.00 O ATOM 0 H GLU A 45 -13.431 -7.101 2.079 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.922 -9.603 3.369 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.155 -8.521 0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.945 -10.256 0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.311 -10.370 2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.291 -8.628 3.138 1.00 0.00 H new ATOM 724 N MET A 46 -11.045 -9.078 0.732 1.00 0.00 N ATOM 725 CA MET A 46 -9.829 -9.611 0.042 1.00 0.00 C ATOM 726 C MET A 46 -8.577 -9.311 0.870 1.00 0.00 C ATOM 727 O MET A 46 -7.736 -10.165 1.073 1.00 0.00 O ATOM 728 CB MET A 46 -9.775 -8.872 -1.296 1.00 0.00 C ATOM 729 CG MET A 46 -10.920 -9.351 -2.190 1.00 0.00 C ATOM 730 SD MET A 46 -10.457 -10.912 -2.981 1.00 0.00 S ATOM 731 CE MET A 46 -11.617 -10.818 -4.367 1.00 0.00 C ATOM 0 H MET A 46 -11.401 -8.197 0.361 1.00 0.00 H new ATOM 0 HA MET A 46 -9.871 -10.692 -0.091 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.852 -7.797 -1.133 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.818 -9.053 -1.785 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.825 -9.486 -1.598 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.143 -8.599 -2.947 1.00 0.00 H new ATOM 0 HE1 MET A 46 -11.502 -11.699 -4.998 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.637 -10.776 -3.985 1.00 0.00 H new ATOM 0 HE3 MET A 46 -11.412 -9.922 -4.953 1.00 0.00 H new ATOM 741 N TRP A 47 -8.452 -8.101 1.348 1.00 0.00 N ATOM 742 CA TRP A 47 -7.254 -7.726 2.165 1.00 0.00 C ATOM 743 C TRP A 47 -7.145 -8.598 3.427 1.00 0.00 C ATOM 744 O TRP A 47 -6.102 -8.654 4.054 1.00 0.00 O ATOM 745 CB TRP A 47 -7.484 -6.260 2.550 1.00 0.00 C ATOM 746 CG TRP A 47 -6.287 -5.731 3.272 1.00 0.00 C ATOM 747 CD1 TRP A 47 -6.154 -5.676 4.617 1.00 0.00 C ATOM 748 CD2 TRP A 47 -5.059 -5.180 2.716 1.00 0.00 C ATOM 749 NE1 TRP A 47 -4.921 -5.125 4.921 1.00 0.00 N ATOM 750 CE2 TRP A 47 -4.210 -4.803 3.783 1.00 0.00 C ATOM 751 CE3 TRP A 47 -4.604 -4.972 1.402 1.00 0.00 C ATOM 752 CZ2 TRP A 47 -2.954 -4.241 3.554 1.00 0.00 C ATOM 753 CZ3 TRP A 47 -3.339 -4.406 1.167 1.00 0.00 C ATOM 754 CH2 TRP A 47 -2.517 -4.041 2.242 1.00 0.00 C ATOM 0 H TRP A 47 -9.129 -7.351 1.209 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.327 -7.872 1.610 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.673 -5.665 1.656 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.368 -6.175 3.182 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.889 -6.007 5.336 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -4.580 -4.975 5.870 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.231 -5.249 0.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -2.323 -3.962 4.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -2.999 -4.252 0.154 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -1.546 -3.605 2.056 1.00 0.00 H new ATOM 765 N SER A 48 -8.208 -9.261 3.815 1.00 0.00 N ATOM 766 CA SER A 48 -8.157 -10.106 5.047 1.00 0.00 C ATOM 767 C SER A 48 -8.056 -11.598 4.704 1.00 0.00 C ATOM 768 O SER A 48 -7.384 -12.349 5.388 1.00 0.00 O ATOM 769 CB SER A 48 -9.469 -9.818 5.775 1.00 0.00 C ATOM 770 OG SER A 48 -9.428 -10.408 7.068 1.00 0.00 O ATOM 0 H SER A 48 -9.106 -9.253 3.332 1.00 0.00 H new ATOM 0 HA SER A 48 -7.281 -9.874 5.652 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.624 -8.742 5.858 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.309 -10.218 5.207 1.00 0.00 H new ATOM 0 HG SER A 48 -10.268 -10.224 7.538 1.00 0.00 H new ATOM 776 N GLU A 49 -8.731 -12.039 3.672 1.00 0.00 N ATOM 777 CA GLU A 49 -8.685 -13.492 3.313 1.00 0.00 C ATOM 778 C GLU A 49 -7.353 -13.872 2.646 1.00 0.00 C ATOM 779 O GLU A 49 -6.878 -14.982 2.798 1.00 0.00 O ATOM 780 CB GLU A 49 -9.868 -13.718 2.358 1.00 0.00 C ATOM 781 CG GLU A 49 -9.654 -12.956 1.047 1.00 0.00 C ATOM 782 CD GLU A 49 -10.973 -12.887 0.277 1.00 0.00 C ATOM 783 OE1 GLU A 49 -12.004 -12.764 0.917 1.00 0.00 O ATOM 784 OE2 GLU A 49 -10.931 -12.958 -0.940 1.00 0.00 O ATOM 0 H GLU A 49 -9.310 -11.460 3.064 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.757 -14.120 4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.978 -14.783 2.152 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.793 -13.387 2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.288 -11.950 1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.894 -13.454 0.444 1.00 0.00 H new ATOM 791 N GLN A 50 -6.758 -12.975 1.897 1.00 0.00 N ATOM 792 CA GLN A 50 -5.468 -13.311 1.210 1.00 0.00 C ATOM 793 C GLN A 50 -4.394 -13.702 2.226 1.00 0.00 C ATOM 794 O GLN A 50 -4.447 -13.327 3.382 1.00 0.00 O ATOM 795 CB GLN A 50 -5.043 -12.043 0.464 1.00 0.00 C ATOM 796 CG GLN A 50 -6.118 -11.656 -0.553 1.00 0.00 C ATOM 797 CD GLN A 50 -5.797 -12.301 -1.904 1.00 0.00 C ATOM 798 OE1 GLN A 50 -5.467 -13.468 -1.970 1.00 0.00 O ATOM 799 NE2 GLN A 50 -5.883 -11.585 -2.991 1.00 0.00 N ATOM 0 H GLN A 50 -7.106 -12.031 1.731 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.595 -14.157 0.535 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.888 -11.228 1.171 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.093 -12.210 -0.043 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.098 -11.983 -0.205 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.162 -10.572 -0.657 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.160 -10.605 -2.936 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.673 -12.005 -3.896 1.00 0.00 H new ATOM 808 N SER A 51 -3.412 -14.445 1.787 1.00 0.00 N ATOM 809 CA SER A 51 -2.307 -14.862 2.699 1.00 0.00 C ATOM 810 C SER A 51 -1.339 -13.679 2.886 1.00 0.00 C ATOM 811 O SER A 51 -1.772 -12.551 3.042 1.00 0.00 O ATOM 812 CB SER A 51 -1.643 -16.045 1.984 1.00 0.00 C ATOM 813 OG SER A 51 -0.947 -15.571 0.837 1.00 0.00 O ATOM 0 H SER A 51 -3.328 -14.783 0.828 1.00 0.00 H new ATOM 0 HA SER A 51 -2.642 -15.150 3.696 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.953 -16.552 2.659 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.396 -16.776 1.690 1.00 0.00 H new ATOM 0 HG SER A 51 -0.520 -16.325 0.379 1.00 0.00 H new ATOM 819 N ALA A 52 -0.045 -13.908 2.870 1.00 0.00 N ATOM 820 CA ALA A 52 0.920 -12.779 3.044 1.00 0.00 C ATOM 821 C ALA A 52 1.300 -12.172 1.685 1.00 0.00 C ATOM 822 O ALA A 52 2.426 -11.756 1.483 1.00 0.00 O ATOM 823 CB ALA A 52 2.145 -13.406 3.711 1.00 0.00 C ATOM 0 H ALA A 52 0.381 -14.826 2.744 1.00 0.00 H new ATOM 0 HA ALA A 52 0.496 -11.969 3.638 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.903 -12.640 3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.856 -13.840 4.668 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.550 -14.186 3.067 1.00 0.00 H new ATOM 829 N LYS A 53 0.372 -12.107 0.760 1.00 0.00 N ATOM 830 CA LYS A 53 0.681 -11.516 -0.577 1.00 0.00 C ATOM 831 C LYS A 53 -0.161 -10.254 -0.790 1.00 0.00 C ATOM 832 O LYS A 53 0.296 -9.285 -1.367 1.00 0.00 O ATOM 833 CB LYS A 53 0.307 -12.597 -1.592 1.00 0.00 C ATOM 834 CG LYS A 53 1.556 -13.394 -1.973 1.00 0.00 C ATOM 835 CD LYS A 53 1.875 -14.405 -0.869 1.00 0.00 C ATOM 836 CE LYS A 53 3.032 -15.301 -1.315 1.00 0.00 C ATOM 837 NZ LYS A 53 3.057 -16.416 -0.328 1.00 0.00 N ATOM 0 H LYS A 53 -0.586 -12.438 0.875 1.00 0.00 H new ATOM 0 HA LYS A 53 1.727 -11.225 -0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.447 -13.262 -1.170 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.131 -12.141 -2.480 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.395 -13.911 -2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.400 -12.720 -2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.139 -13.883 0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.995 -15.011 -0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.876 -15.673 -2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.976 -14.755 -1.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.826 -17.074 -0.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.214 -16.032 0.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.148 -16.922 -0.352 1.00 0.00 H new ATOM 851 N ASP A 54 -1.379 -10.248 -0.300 1.00 0.00 N ATOM 852 CA ASP A 54 -2.243 -9.034 -0.441 1.00 0.00 C ATOM 853 C ASP A 54 -2.069 -8.168 0.806 1.00 0.00 C ATOM 854 O ASP A 54 -3.016 -7.792 1.466 1.00 0.00 O ATOM 855 CB ASP A 54 -3.675 -9.555 -0.550 1.00 0.00 C ATOM 856 CG ASP A 54 -4.490 -8.622 -1.447 1.00 0.00 C ATOM 857 OD1 ASP A 54 -4.210 -8.578 -2.633 1.00 0.00 O ATOM 858 OD2 ASP A 54 -5.381 -7.966 -0.932 1.00 0.00 O ATOM 0 H ASP A 54 -1.811 -11.031 0.191 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.988 -8.428 -1.310 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.676 -10.565 -0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.128 -9.613 0.439 1.00 0.00 H new ATOM 863 N LYS A 55 -0.843 -7.852 1.108 1.00 0.00 N ATOM 864 CA LYS A 55 -0.515 -7.007 2.292 1.00 0.00 C ATOM 865 C LYS A 55 0.977 -6.682 2.262 1.00 0.00 C ATOM 866 O LYS A 55 1.370 -5.546 2.131 1.00 0.00 O ATOM 867 CB LYS A 55 -0.837 -7.869 3.517 1.00 0.00 C ATOM 868 CG LYS A 55 -2.233 -7.522 4.058 1.00 0.00 C ATOM 869 CD LYS A 55 -2.132 -7.069 5.518 1.00 0.00 C ATOM 870 CE LYS A 55 -2.077 -8.296 6.431 1.00 0.00 C ATOM 871 NZ LYS A 55 -3.492 -8.747 6.552 1.00 0.00 N ATOM 0 H LYS A 55 -0.031 -8.152 0.569 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.073 -6.071 2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.795 -8.925 3.249 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.088 -7.707 4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.680 -6.733 3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.887 -8.390 3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.241 -6.457 5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.989 -6.448 5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.448 -9.078 6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.658 -8.045 7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.845 -8.530 7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.075 -8.254 5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.545 -9.773 6.389 1.00 0.00 H new ATOM 885 N GLN A 56 1.802 -7.692 2.404 1.00 0.00 N ATOM 886 CA GLN A 56 3.297 -7.511 2.410 1.00 0.00 C ATOM 887 C GLN A 56 3.785 -6.480 1.363 1.00 0.00 C ATOM 888 O GLN A 56 4.430 -5.515 1.723 1.00 0.00 O ATOM 889 CB GLN A 56 3.852 -8.907 2.078 1.00 0.00 C ATOM 890 CG GLN A 56 4.489 -9.538 3.321 1.00 0.00 C ATOM 891 CD GLN A 56 3.449 -9.674 4.439 1.00 0.00 C ATOM 892 OE1 GLN A 56 3.727 -9.372 5.582 1.00 0.00 O ATOM 893 NE2 GLN A 56 2.256 -10.119 4.155 1.00 0.00 N ATOM 0 H GLN A 56 1.498 -8.659 2.519 1.00 0.00 H new ATOM 0 HA GLN A 56 3.637 -7.123 3.370 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.050 -9.546 1.709 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.592 -8.831 1.281 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.896 -10.518 3.072 1.00 0.00 H new ATOM 0 HG3 GLN A 56 5.322 -8.924 3.663 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.021 -10.373 3.195 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.558 -10.213 4.893 1.00 0.00 H new ATOM 902 N PRO A 57 3.480 -6.711 0.103 1.00 0.00 N ATOM 903 CA PRO A 57 3.929 -5.772 -0.960 1.00 0.00 C ATOM 904 C PRO A 57 3.223 -4.420 -0.826 1.00 0.00 C ATOM 905 O PRO A 57 3.786 -3.386 -1.135 1.00 0.00 O ATOM 906 CB PRO A 57 3.533 -6.476 -2.256 1.00 0.00 C ATOM 907 CG PRO A 57 2.417 -7.384 -1.863 1.00 0.00 C ATOM 908 CD PRO A 57 2.706 -7.830 -0.457 1.00 0.00 C ATOM 0 HA PRO A 57 4.996 -5.554 -0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.214 -5.761 -3.014 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.370 -7.034 -2.676 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.459 -6.867 -1.917 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.357 -8.239 -2.537 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.789 -8.006 0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.274 -8.760 -0.439 1.00 0.00 H new ATOM 916 N TYR A 58 2.002 -4.420 -0.363 1.00 0.00 N ATOM 917 CA TYR A 58 1.256 -3.135 -0.197 1.00 0.00 C ATOM 918 C TYR A 58 1.628 -2.459 1.132 1.00 0.00 C ATOM 919 O TYR A 58 1.333 -1.299 1.347 1.00 0.00 O ATOM 920 CB TYR A 58 -0.220 -3.536 -0.206 1.00 0.00 C ATOM 921 CG TYR A 58 -0.724 -3.549 -1.629 1.00 0.00 C ATOM 922 CD1 TYR A 58 -0.940 -2.343 -2.305 1.00 0.00 C ATOM 923 CD2 TYR A 58 -0.972 -4.767 -2.273 1.00 0.00 C ATOM 924 CE1 TYR A 58 -1.405 -2.353 -3.625 1.00 0.00 C ATOM 925 CE2 TYR A 58 -1.436 -4.778 -3.594 1.00 0.00 C ATOM 926 CZ TYR A 58 -1.652 -3.571 -4.270 1.00 0.00 C ATOM 927 OH TYR A 58 -2.108 -3.582 -5.573 1.00 0.00 O ATOM 0 H TYR A 58 1.486 -5.257 -0.091 1.00 0.00 H new ATOM 0 HA TYR A 58 1.492 -2.418 -0.984 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.344 -4.521 0.245 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.803 -2.836 0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.748 -1.404 -1.808 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.805 -5.698 -1.751 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.573 -1.422 -4.146 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.627 -5.717 -4.091 1.00 0.00 H new ATOM 0 HH TYR A 58 -2.227 -4.508 -5.870 1.00 0.00 H new ATOM 937 N GLU A 59 2.268 -3.177 2.024 1.00 0.00 N ATOM 938 CA GLU A 59 2.657 -2.587 3.341 1.00 0.00 C ATOM 939 C GLU A 59 3.897 -1.703 3.177 1.00 0.00 C ATOM 940 O GLU A 59 3.853 -0.508 3.395 1.00 0.00 O ATOM 941 CB GLU A 59 2.973 -3.792 4.234 1.00 0.00 C ATOM 942 CG GLU A 59 1.691 -4.303 4.897 1.00 0.00 C ATOM 943 CD GLU A 59 1.108 -3.228 5.823 1.00 0.00 C ATOM 944 OE1 GLU A 59 1.858 -2.366 6.255 1.00 0.00 O ATOM 945 OE2 GLU A 59 -0.080 -3.289 6.089 1.00 0.00 O ATOM 0 H GLU A 59 2.538 -4.152 1.894 1.00 0.00 H new ATOM 0 HA GLU A 59 1.872 -1.959 3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.427 -4.586 3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.699 -3.510 4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.960 -4.571 4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.903 -5.208 5.467 1.00 0.00 H new ATOM 952 N GLN A 60 5.006 -2.291 2.803 1.00 0.00 N ATOM 953 CA GLN A 60 6.271 -1.503 2.629 1.00 0.00 C ATOM 954 C GLN A 60 6.058 -0.301 1.695 1.00 0.00 C ATOM 955 O GLN A 60 6.788 0.670 1.752 1.00 0.00 O ATOM 956 CB GLN A 60 7.277 -2.487 2.017 1.00 0.00 C ATOM 957 CG GLN A 60 6.746 -3.017 0.680 1.00 0.00 C ATOM 958 CD GLN A 60 7.744 -4.020 0.097 1.00 0.00 C ATOM 959 OE1 GLN A 60 7.982 -5.062 0.673 1.00 0.00 O ATOM 960 NE2 GLN A 60 8.341 -3.747 -1.031 1.00 0.00 N ATOM 0 H GLN A 60 5.092 -3.289 2.609 1.00 0.00 H new ATOM 0 HA GLN A 60 6.618 -1.094 3.578 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.236 -1.992 1.866 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.451 -3.316 2.703 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.777 -3.494 0.825 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.594 -2.192 -0.016 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.141 -2.872 -1.515 1.00 0.00 H new ATOM 0 HE22 GLN A 60 9.007 -4.409 -1.429 1.00 0.00 H new ATOM 969 N LYS A 61 5.067 -0.362 0.841 1.00 0.00 N ATOM 970 CA LYS A 61 4.812 0.779 -0.094 1.00 0.00 C ATOM 971 C LYS A 61 4.449 2.035 0.696 1.00 0.00 C ATOM 972 O LYS A 61 5.004 3.096 0.474 1.00 0.00 O ATOM 973 CB LYS A 61 3.639 0.332 -0.971 1.00 0.00 C ATOM 974 CG LYS A 61 3.342 1.409 -2.016 1.00 0.00 C ATOM 975 CD LYS A 61 2.414 0.838 -3.091 1.00 0.00 C ATOM 976 CE LYS A 61 2.468 1.727 -4.336 1.00 0.00 C ATOM 977 NZ LYS A 61 1.838 0.915 -5.414 1.00 0.00 N ATOM 0 H LYS A 61 4.425 -1.149 0.750 1.00 0.00 H new ATOM 0 HA LYS A 61 5.689 1.023 -0.693 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.878 -0.611 -1.463 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.757 0.155 -0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.877 2.273 -1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.270 1.756 -2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.715 -0.179 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.393 0.784 -2.714 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.929 2.661 -4.178 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.495 1.991 -4.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.837 1.457 -6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.377 0.035 -5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.859 0.685 -5.148 1.00 0.00 H new ATOM 991 N ALA A 62 3.536 1.922 1.623 1.00 0.00 N ATOM 992 CA ALA A 62 3.148 3.108 2.444 1.00 0.00 C ATOM 993 C ALA A 62 4.203 3.370 3.527 1.00 0.00 C ATOM 994 O ALA A 62 4.246 4.436 4.112 1.00 0.00 O ATOM 995 CB ALA A 62 1.809 2.735 3.080 1.00 0.00 C ATOM 0 H ALA A 62 3.041 1.059 1.848 1.00 0.00 H new ATOM 0 HA ALA A 62 3.073 4.016 1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.459 3.560 3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.078 2.534 2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.934 1.845 3.697 1.00 0.00 H new ATOM 1001 N ALA A 63 5.051 2.405 3.799 1.00 0.00 N ATOM 1002 CA ALA A 63 6.101 2.597 4.845 1.00 0.00 C ATOM 1003 C ALA A 63 7.038 3.743 4.458 1.00 0.00 C ATOM 1004 O ALA A 63 7.505 4.476 5.310 1.00 0.00 O ATOM 1005 CB ALA A 63 6.868 1.274 4.898 1.00 0.00 C ATOM 0 H ALA A 63 5.059 1.494 3.341 1.00 0.00 H new ATOM 0 HA ALA A 63 5.668 2.854 5.812 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.657 1.341 5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.184 0.467 5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.309 1.070 3.923 1.00 0.00 H new ATOM 1011 N LYS A 64 7.318 3.910 3.185 1.00 0.00 N ATOM 1012 CA LYS A 64 8.229 5.019 2.761 1.00 0.00 C ATOM 1013 C LYS A 64 7.499 6.362 2.848 1.00 0.00 C ATOM 1014 O LYS A 64 7.878 7.236 3.603 1.00 0.00 O ATOM 1015 CB LYS A 64 8.601 4.705 1.311 1.00 0.00 C ATOM 1016 CG LYS A 64 9.384 3.392 1.257 1.00 0.00 C ATOM 1017 CD LYS A 64 10.786 3.609 1.831 1.00 0.00 C ATOM 1018 CE LYS A 64 11.594 2.315 1.708 1.00 0.00 C ATOM 1019 NZ LYS A 64 12.744 2.492 2.637 1.00 0.00 N ATOM 0 H LYS A 64 6.957 3.330 2.428 1.00 0.00 H new ATOM 0 HA LYS A 64 9.111 5.091 3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.700 4.629 0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.200 5.515 0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.862 2.622 1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.452 3.039 0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.288 4.416 1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.720 3.911 2.876 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.994 1.447 1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.934 2.157 0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.346 1.645 2.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 13.300 3.322 2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 12.390 2.634 3.605 1.00 0.00 H new ATOM 1033 N LEU A 65 6.459 6.533 2.064 1.00 0.00 N ATOM 1034 CA LEU A 65 5.683 7.823 2.066 1.00 0.00 C ATOM 1035 C LEU A 65 5.390 8.313 3.493 1.00 0.00 C ATOM 1036 O LEU A 65 5.239 9.499 3.726 1.00 0.00 O ATOM 1037 CB LEU A 65 4.376 7.497 1.342 1.00 0.00 C ATOM 1038 CG LEU A 65 4.580 7.634 -0.167 1.00 0.00 C ATOM 1039 CD1 LEU A 65 5.071 6.304 -0.740 1.00 0.00 C ATOM 1040 CD2 LEU A 65 3.253 8.013 -0.827 1.00 0.00 C ATOM 0 H LEU A 65 6.109 5.828 1.415 1.00 0.00 H new ATOM 0 HA LEU A 65 6.246 8.622 1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.056 6.484 1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.586 8.170 1.675 1.00 0.00 H new ATOM 0 HG LEU A 65 5.321 8.409 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.216 6.403 -1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.016 6.032 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.331 5.528 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.397 8.111 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.513 7.237 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.902 8.961 -0.420 1.00 0.00 H new ATOM 1052 N LYS A 66 5.325 7.418 4.447 1.00 0.00 N ATOM 1053 CA LYS A 66 5.061 7.843 5.856 1.00 0.00 C ATOM 1054 C LYS A 66 6.236 8.679 6.366 1.00 0.00 C ATOM 1055 O LYS A 66 6.057 9.717 6.974 1.00 0.00 O ATOM 1056 CB LYS A 66 4.940 6.545 6.657 1.00 0.00 C ATOM 1057 CG LYS A 66 4.447 6.860 8.070 1.00 0.00 C ATOM 1058 CD LYS A 66 2.945 7.150 8.033 1.00 0.00 C ATOM 1059 CE LYS A 66 2.374 7.063 9.450 1.00 0.00 C ATOM 1060 NZ LYS A 66 0.913 6.840 9.263 1.00 0.00 N ATOM 0 H LYS A 66 5.443 6.414 4.312 1.00 0.00 H new ATOM 0 HA LYS A 66 4.161 8.452 5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.248 5.864 6.163 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.906 6.041 6.701 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.650 6.019 8.733 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.984 7.719 8.471 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.765 8.141 7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.442 6.435 7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.830 6.246 10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.565 7.979 10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.451 6.770 10.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.505 7.637 8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.761 5.958 8.733 1.00 0.00 H new ATOM 1074 N GLU A 67 7.439 8.229 6.114 1.00 0.00 N ATOM 1075 CA GLU A 67 8.643 8.987 6.573 1.00 0.00 C ATOM 1076 C GLU A 67 8.735 10.326 5.836 1.00 0.00 C ATOM 1077 O GLU A 67 8.806 11.375 6.446 1.00 0.00 O ATOM 1078 CB GLU A 67 9.838 8.099 6.219 1.00 0.00 C ATOM 1079 CG GLU A 67 11.029 8.466 7.108 1.00 0.00 C ATOM 1080 CD GLU A 67 12.294 7.796 6.568 1.00 0.00 C ATOM 1081 OE1 GLU A 67 12.861 8.318 5.623 1.00 0.00 O ATOM 1082 OE2 GLU A 67 12.674 6.770 7.109 1.00 0.00 O ATOM 0 H GLU A 67 7.640 7.366 5.608 1.00 0.00 H new ATOM 0 HA GLU A 67 8.606 9.210 7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.578 7.049 6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.101 8.227 5.169 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.159 9.548 7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.844 8.145 8.133 1.00 0.00 H new ATOM 1089 N LYS A 68 8.737 10.295 4.524 1.00 0.00 N ATOM 1090 CA LYS A 68 8.828 11.566 3.732 1.00 0.00 C ATOM 1091 C LYS A 68 7.714 12.537 4.145 1.00 0.00 C ATOM 1092 O LYS A 68 7.887 13.741 4.109 1.00 0.00 O ATOM 1093 CB LYS A 68 8.658 11.145 2.264 1.00 0.00 C ATOM 1094 CG LYS A 68 9.976 11.349 1.510 1.00 0.00 C ATOM 1095 CD LYS A 68 10.859 10.111 1.676 1.00 0.00 C ATOM 1096 CE LYS A 68 12.001 10.158 0.659 1.00 0.00 C ATOM 1097 NZ LYS A 68 12.498 8.757 0.575 1.00 0.00 N ATOM 0 H LYS A 68 8.679 9.443 3.966 1.00 0.00 H new ATOM 0 HA LYS A 68 9.774 12.081 3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.355 10.099 2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.867 11.732 1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.778 11.528 0.453 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.492 12.230 1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.261 10.071 2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.267 9.207 1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.652 10.512 -0.311 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.789 10.838 0.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.284 8.708 -0.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.830 8.450 1.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.728 8.134 0.259 1.00 0.00 H new ATOM 1111 N TYR A 69 6.579 12.020 4.542 1.00 0.00 N ATOM 1112 CA TYR A 69 5.456 12.910 4.966 1.00 0.00 C ATOM 1113 C TYR A 69 5.741 13.470 6.364 1.00 0.00 C ATOM 1114 O TYR A 69 5.977 14.649 6.530 1.00 0.00 O ATOM 1115 CB TYR A 69 4.211 12.011 4.976 1.00 0.00 C ATOM 1116 CG TYR A 69 3.008 12.801 5.443 1.00 0.00 C ATOM 1117 CD1 TYR A 69 2.253 13.539 4.523 1.00 0.00 C ATOM 1118 CD2 TYR A 69 2.650 12.795 6.797 1.00 0.00 C ATOM 1119 CE1 TYR A 69 1.141 14.272 4.957 1.00 0.00 C ATOM 1120 CE2 TYR A 69 1.539 13.528 7.230 1.00 0.00 C ATOM 1121 CZ TYR A 69 0.785 14.266 6.311 1.00 0.00 C ATOM 1122 OH TYR A 69 -0.311 14.987 6.739 1.00 0.00 O ATOM 0 H TYR A 69 6.381 11.021 4.591 1.00 0.00 H new ATOM 0 HA TYR A 69 5.323 13.764 4.301 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.031 11.614 3.977 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.374 11.157 5.634 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.528 13.543 3.479 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.231 12.225 7.507 1.00 0.00 H new ATOM 0 HE1 TYR A 69 0.559 14.841 4.248 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.264 13.524 8.274 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.419 14.874 7.706 1.00 0.00 H new ATOM 1132 N GLU A 70 5.713 12.625 7.367 1.00 0.00 N ATOM 1133 CA GLU A 70 5.972 13.088 8.773 1.00 0.00 C ATOM 1134 C GLU A 70 7.241 13.953 8.851 1.00 0.00 C ATOM 1135 O GLU A 70 7.360 14.815 9.702 1.00 0.00 O ATOM 1136 CB GLU A 70 6.157 11.805 9.585 1.00 0.00 C ATOM 1137 CG GLU A 70 4.794 11.302 10.064 1.00 0.00 C ATOM 1138 CD GLU A 70 4.995 10.171 11.076 1.00 0.00 C ATOM 1139 OE1 GLU A 70 5.644 9.199 10.727 1.00 0.00 O ATOM 1140 OE2 GLU A 70 4.497 10.298 12.182 1.00 0.00 O ATOM 0 H GLU A 70 5.521 11.628 7.274 1.00 0.00 H new ATOM 0 HA GLU A 70 5.155 13.705 9.147 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.644 11.044 8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.807 11.993 10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.233 12.118 10.521 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.207 10.947 9.217 1.00 0.00 H new ATOM 1147 N LYS A 71 8.181 13.725 7.970 1.00 0.00 N ATOM 1148 CA LYS A 71 9.441 14.527 7.989 1.00 0.00 C ATOM 1149 C LYS A 71 9.267 15.820 7.188 1.00 0.00 C ATOM 1150 O LYS A 71 9.454 16.908 7.702 1.00 0.00 O ATOM 1151 CB LYS A 71 10.490 13.631 7.330 1.00 0.00 C ATOM 1152 CG LYS A 71 10.871 12.499 8.286 1.00 0.00 C ATOM 1153 CD LYS A 71 11.981 12.977 9.225 1.00 0.00 C ATOM 1154 CE LYS A 71 13.301 13.061 8.456 1.00 0.00 C ATOM 1155 NZ LYS A 71 14.326 13.384 9.485 1.00 0.00 N ATOM 0 H LYS A 71 8.130 13.017 7.237 1.00 0.00 H new ATOM 0 HA LYS A 71 9.725 14.818 9.000 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.099 13.219 6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.373 14.216 7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.000 12.188 8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.207 11.629 7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.726 13.953 9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.081 12.291 10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.527 12.119 7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.260 13.830 7.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.260 13.458 9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.088 14.289 9.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.347 12.631 10.202 1.00 0.00 H new ATOM 1169 N ASP A 72 8.919 15.708 5.931 1.00 0.00 N ATOM 1170 CA ASP A 72 8.744 16.928 5.082 1.00 0.00 C ATOM 1171 C ASP A 72 7.608 17.809 5.615 1.00 0.00 C ATOM 1172 O ASP A 72 7.636 19.016 5.469 1.00 0.00 O ATOM 1173 CB ASP A 72 8.396 16.402 3.687 1.00 0.00 C ATOM 1174 CG ASP A 72 8.448 17.552 2.679 1.00 0.00 C ATOM 1175 OD1 ASP A 72 9.536 17.870 2.229 1.00 0.00 O ATOM 1176 OD2 ASP A 72 7.398 18.094 2.375 1.00 0.00 O ATOM 0 H ASP A 72 8.748 14.823 5.454 1.00 0.00 H new ATOM 0 HA ASP A 72 9.643 17.545 5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.096 15.619 3.397 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.402 15.955 3.693 1.00 0.00 H new ATOM 1181 N ILE A 73 6.608 17.217 6.222 1.00 0.00 N ATOM 1182 CA ILE A 73 5.469 18.029 6.750 1.00 0.00 C ATOM 1183 C ILE A 73 5.904 18.822 7.993 1.00 0.00 C ATOM 1184 O ILE A 73 5.468 19.937 8.213 1.00 0.00 O ATOM 1185 CB ILE A 73 4.356 17.010 7.071 1.00 0.00 C ATOM 1186 CG1 ILE A 73 3.032 17.753 7.252 1.00 0.00 C ATOM 1187 CG2 ILE A 73 4.676 16.219 8.349 1.00 0.00 C ATOM 1188 CD1 ILE A 73 2.326 17.872 5.898 1.00 0.00 C ATOM 0 H ILE A 73 6.532 16.211 6.374 1.00 0.00 H new ATOM 0 HA ILE A 73 5.120 18.772 6.033 1.00 0.00 H new ATOM 0 HB ILE A 73 4.285 16.305 6.243 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.397 17.220 7.960 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.212 18.744 7.669 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.873 15.509 8.548 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.613 15.679 8.217 1.00 0.00 H new ATOM 0 HG23 ILE A 73 4.769 16.907 9.189 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.382 18.401 6.025 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.961 18.423 5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.133 16.876 5.500 1.00 0.00 H new