USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 554 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 22 CYS SG : rot -130:sc= -5.43! USER MOD Set 1.2: A 26 HIS : no HD1:sc= -7.01! C(o=-12!,f=-11!) USER MOD Single : A 11 THR OG1 : rot 32:sc= 0.276 USER MOD Single : A 14 SER OG : rot -161:sc= -2.12! USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.655 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0366 USER MOD Single : A 42 SER OG : rot 82:sc= -0.228! USER MOD Single : A 43 TYR OH : rot 180:sc= -0.946 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.951 X(o=-0.95,f=-0.48) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -2.41 K(o=-2.4,f=-4.6!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00369 USER MOD Single : A 80 SER OG : rot 72:sc= 0.255 USER MOD Single : A 81 THR OG1 : rot 108:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 11 3.500 -12.278 -2.310 1.00 0.00 N ATOM 137 CA THR A 11 4.217 -12.661 -1.093 1.00 0.00 C ATOM 138 C THR A 11 4.282 -11.484 -0.127 1.00 0.00 C ATOM 139 O THR A 11 4.220 -10.331 -0.534 1.00 0.00 O ATOM 140 CB THR A 11 5.633 -13.107 -1.447 1.00 0.00 C ATOM 141 OG1 THR A 11 5.571 -14.083 -2.478 1.00 0.00 O ATOM 142 CG2 THR A 11 6.297 -13.707 -0.210 1.00 0.00 C ATOM 0 HA THR A 11 3.684 -13.484 -0.616 1.00 0.00 H new ATOM 0 HB THR A 11 6.215 -12.252 -1.791 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.803 -13.898 -3.058 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.309 -14.027 -0.459 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.338 -12.958 0.581 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.719 -14.565 0.133 1.00 0.00 H new ATOM 150 N LEU A 12 4.403 -11.778 1.154 1.00 0.00 N ATOM 151 CA LEU A 12 4.444 -10.726 2.161 1.00 0.00 C ATOM 152 C LEU A 12 5.526 -9.705 1.848 1.00 0.00 C ATOM 153 O LEU A 12 5.274 -8.499 1.850 1.00 0.00 O ATOM 154 CB LEU A 12 4.741 -11.344 3.527 1.00 0.00 C ATOM 155 CG LEU A 12 3.576 -12.280 3.957 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.976 -13.753 3.774 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.222 -12.041 5.433 1.00 0.00 C ATOM 0 H LEU A 12 4.474 -12.726 1.523 1.00 0.00 H new ATOM 0 HA LEU A 12 3.476 -10.225 2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.673 -11.907 3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.878 -10.557 4.269 1.00 0.00 H new ATOM 0 HG LEU A 12 2.712 -12.057 3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.150 -14.395 4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.212 -13.939 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.851 -13.971 4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.405 -12.702 5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.094 -12.247 6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.916 -11.004 5.570 1.00 0.00 H new ATOM 169 N ASP A 13 6.728 -10.189 1.584 1.00 0.00 N ATOM 170 CA ASP A 13 7.831 -9.294 1.281 1.00 0.00 C ATOM 171 C ASP A 13 7.591 -8.583 -0.040 1.00 0.00 C ATOM 172 O ASP A 13 7.902 -7.402 -0.172 1.00 0.00 O ATOM 173 CB ASP A 13 9.141 -10.070 1.193 1.00 0.00 C ATOM 174 CG ASP A 13 9.191 -11.122 2.302 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.797 -10.805 3.412 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.613 -12.233 2.021 1.00 0.00 O ATOM 0 H ASP A 13 6.963 -11.182 1.573 1.00 0.00 H new ATOM 0 HA ASP A 13 7.896 -8.560 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.226 -10.551 0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.986 -9.388 1.287 1.00 0.00 H new ATOM 181 N SER A 14 7.037 -9.306 -1.014 1.00 0.00 N ATOM 182 CA SER A 14 6.771 -8.721 -2.319 1.00 0.00 C ATOM 183 C SER A 14 5.727 -7.623 -2.202 1.00 0.00 C ATOM 184 O SER A 14 5.794 -6.602 -2.900 1.00 0.00 O ATOM 185 CB SER A 14 6.285 -9.787 -3.281 1.00 0.00 C ATOM 186 OG SER A 14 5.092 -10.377 -2.778 1.00 0.00 O ATOM 0 H SER A 14 6.768 -10.286 -0.922 1.00 0.00 H new ATOM 0 HA SER A 14 7.697 -8.291 -2.700 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.100 -9.349 -4.262 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.052 -10.550 -3.412 1.00 0.00 H new ATOM 0 HG SER A 14 4.942 -11.239 -3.219 1.00 0.00 H new ATOM 192 N LEU A 15 4.745 -7.827 -1.341 1.00 0.00 N ATOM 193 CA LEU A 15 3.714 -6.822 -1.177 1.00 0.00 C ATOM 194 C LEU A 15 4.266 -5.633 -0.402 1.00 0.00 C ATOM 195 O LEU A 15 4.409 -4.538 -0.939 1.00 0.00 O ATOM 196 CB LEU A 15 2.519 -7.413 -0.427 1.00 0.00 C ATOM 197 CG LEU A 15 1.886 -8.508 -1.280 1.00 0.00 C ATOM 198 CD1 LEU A 15 0.907 -9.310 -0.415 1.00 0.00 C ATOM 199 CD2 LEU A 15 1.165 -7.903 -2.511 1.00 0.00 C ATOM 0 H LEU A 15 4.641 -8.658 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 15 3.388 -6.489 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.841 -7.821 0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.788 -6.634 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 15 2.667 -9.171 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.449 -10.095 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.444 -9.759 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.131 -8.647 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.722 -8.704 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.381 -7.223 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.884 -7.356 -3.121 1.00 0.00 H new ATOM 211 N ARG A 16 4.560 -5.854 0.873 1.00 0.00 N ATOM 212 CA ARG A 16 5.060 -4.780 1.726 1.00 0.00 C ATOM 213 C ARG A 16 5.983 -3.848 0.938 1.00 0.00 C ATOM 214 O ARG A 16 5.797 -2.623 0.943 1.00 0.00 O ATOM 215 CB ARG A 16 5.836 -5.388 2.892 1.00 0.00 C ATOM 216 CG ARG A 16 6.508 -4.279 3.740 1.00 0.00 C ATOM 217 CD ARG A 16 7.988 -4.119 3.353 1.00 0.00 C ATOM 218 NE ARG A 16 8.639 -3.191 4.263 1.00 0.00 N ATOM 219 CZ ARG A 16 9.069 -3.587 5.452 1.00 0.00 C ATOM 220 NH1 ARG A 16 8.903 -4.827 5.825 1.00 0.00 N ATOM 221 NH2 ARG A 16 9.654 -2.737 6.244 1.00 0.00 N ATOM 0 H ARG A 16 4.463 -6.757 1.337 1.00 0.00 H new ATOM 0 HA ARG A 16 4.213 -4.202 2.096 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.162 -5.973 3.518 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.595 -6.073 2.513 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.984 -3.334 3.593 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.429 -4.526 4.799 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.489 -5.087 3.387 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.068 -3.754 2.329 1.00 0.00 H new ATOM 0 HE ARG A 16 8.767 -2.219 3.982 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.443 -5.490 5.201 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.234 -5.133 6.740 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.781 -1.769 5.949 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.986 -3.039 7.160 1.00 0.00 H new ATOM 235 N VAL A 17 6.967 -4.433 0.251 1.00 0.00 N ATOM 236 CA VAL A 17 7.903 -3.640 -0.545 1.00 0.00 C ATOM 237 C VAL A 17 7.137 -2.873 -1.623 1.00 0.00 C ATOM 238 O VAL A 17 7.438 -1.715 -1.905 1.00 0.00 O ATOM 239 CB VAL A 17 8.938 -4.569 -1.201 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.670 -5.403 -0.120 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.203 -5.498 -2.151 1.00 0.00 C ATOM 0 H VAL A 17 7.134 -5.439 0.230 1.00 0.00 H new ATOM 0 HA VAL A 17 8.418 -2.930 0.102 1.00 0.00 H new ATOM 0 HB VAL A 17 9.678 -3.978 -1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.400 -6.057 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.180 -4.733 0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.945 -6.006 0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.917 -6.168 -2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.472 -6.084 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.691 -4.909 -2.912 1.00 0.00 H new ATOM 251 N TRP A 18 6.135 -3.516 -2.223 1.00 0.00 N ATOM 252 CA TRP A 18 5.343 -2.848 -3.248 1.00 0.00 C ATOM 253 C TRP A 18 4.699 -1.577 -2.690 1.00 0.00 C ATOM 254 O TRP A 18 4.773 -0.518 -3.300 1.00 0.00 O ATOM 255 CB TRP A 18 4.245 -3.815 -3.779 1.00 0.00 C ATOM 256 CG TRP A 18 2.867 -3.345 -3.371 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.116 -3.853 -2.354 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.082 -2.257 -3.925 1.00 0.00 C ATOM 259 NE1 TRP A 18 0.948 -3.157 -2.266 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.876 -2.170 -3.197 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.283 -1.345 -4.976 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.081 -1.229 -3.480 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.302 -0.388 -5.265 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.124 -0.340 -4.511 1.00 0.00 C ATOM 0 H TRP A 18 5.859 -4.477 -2.021 1.00 0.00 H new ATOM 0 HA TRP A 18 6.002 -2.567 -4.069 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.305 -3.878 -4.866 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.421 -4.819 -3.392 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.402 -4.678 -1.718 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.216 -3.353 -1.583 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.191 -1.382 -5.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.990 -1.186 -2.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.455 0.314 -6.071 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.629 0.399 -4.739 1.00 0.00 H new ATOM 275 N LEU A 19 4.048 -1.711 -1.542 1.00 0.00 N ATOM 276 CA LEU A 19 3.357 -0.588 -0.918 1.00 0.00 C ATOM 277 C LEU A 19 4.301 0.585 -0.692 1.00 0.00 C ATOM 278 O LEU A 19 4.119 1.663 -1.267 1.00 0.00 O ATOM 279 CB LEU A 19 2.771 -1.044 0.430 1.00 0.00 C ATOM 280 CG LEU A 19 1.237 -1.249 0.337 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.814 -2.401 1.238 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.507 0.040 0.753 1.00 0.00 C ATOM 0 H LEU A 19 3.983 -2.587 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 19 2.560 -0.258 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.246 -1.975 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.995 -0.302 1.196 1.00 0.00 H new ATOM 0 HG LEU A 19 0.972 -1.487 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.265 -2.540 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.319 -3.314 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.085 -2.175 2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.570 -0.113 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.773 0.294 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.800 0.854 0.090 1.00 0.00 H new ATOM 294 N VAL A 20 5.303 0.379 0.147 1.00 0.00 N ATOM 295 CA VAL A 20 6.238 1.448 0.437 1.00 0.00 C ATOM 296 C VAL A 20 6.832 1.987 -0.853 1.00 0.00 C ATOM 297 O VAL A 20 6.873 3.198 -1.067 1.00 0.00 O ATOM 298 CB VAL A 20 7.348 0.914 1.344 1.00 0.00 C ATOM 299 CG1 VAL A 20 8.026 -0.294 0.686 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.384 2.010 1.581 1.00 0.00 C ATOM 0 H VAL A 20 5.486 -0.501 0.630 1.00 0.00 H new ATOM 0 HA VAL A 20 5.715 2.259 0.943 1.00 0.00 H new ATOM 0 HB VAL A 20 6.914 0.607 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.815 -0.668 1.338 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.289 -1.080 0.521 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.457 0.006 -0.269 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.175 1.629 2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.812 2.319 0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.906 2.866 2.058 1.00 0.00 H new ATOM 310 N ASP A 21 7.299 1.090 -1.708 1.00 0.00 N ATOM 311 CA ASP A 21 7.901 1.511 -2.961 1.00 0.00 C ATOM 312 C ASP A 21 6.919 2.359 -3.761 1.00 0.00 C ATOM 313 O ASP A 21 7.313 3.290 -4.471 1.00 0.00 O ATOM 314 CB ASP A 21 8.312 0.278 -3.774 1.00 0.00 C ATOM 315 CG ASP A 21 8.904 0.703 -5.112 1.00 0.00 C ATOM 316 OD1 ASP A 21 9.084 1.893 -5.309 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.166 -0.170 -5.926 1.00 0.00 O ATOM 0 H ASP A 21 7.273 0.081 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 21 8.785 2.112 -2.746 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.041 -0.308 -3.215 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.446 -0.363 -3.938 1.00 0.00 H new ATOM 322 N CYS A 22 5.634 2.042 -3.629 1.00 0.00 N ATOM 323 CA CYS A 22 4.601 2.784 -4.333 1.00 0.00 C ATOM 324 C CYS A 22 4.601 4.236 -3.883 1.00 0.00 C ATOM 325 O CYS A 22 4.567 5.151 -4.706 1.00 0.00 O ATOM 326 CB CYS A 22 3.216 2.134 -4.068 1.00 0.00 C ATOM 327 SG CYS A 22 2.130 3.214 -3.084 1.00 0.00 S ATOM 0 H CYS A 22 5.288 1.281 -3.044 1.00 0.00 H new ATOM 0 HA CYS A 22 4.805 2.755 -5.403 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.735 1.906 -5.019 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.354 1.187 -3.546 1.00 0.00 H new ATOM 0 HG CYS A 22 1.634 2.540 -2.089 1.00 0.00 H new ATOM 333 N VAL A 23 4.625 4.438 -2.571 1.00 0.00 N ATOM 334 CA VAL A 23 4.607 5.792 -2.037 1.00 0.00 C ATOM 335 C VAL A 23 5.863 6.551 -2.445 1.00 0.00 C ATOM 336 O VAL A 23 5.782 7.664 -2.965 1.00 0.00 O ATOM 337 CB VAL A 23 4.523 5.744 -0.519 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.218 7.139 0.042 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.420 4.774 -0.081 1.00 0.00 C ATOM 0 H VAL A 23 4.656 3.697 -1.870 1.00 0.00 H new ATOM 0 HA VAL A 23 3.736 6.308 -2.442 1.00 0.00 H new ATOM 0 HB VAL A 23 5.483 5.401 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.161 7.089 1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.010 7.829 -0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.266 7.491 -0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.369 4.748 1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.462 5.107 -0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.643 3.776 -0.458 1.00 0.00 H new ATOM 349 N ALA A 24 7.027 5.949 -2.200 1.00 0.00 N ATOM 350 CA ALA A 24 8.289 6.591 -2.544 1.00 0.00 C ATOM 351 C ALA A 24 8.231 7.131 -3.961 1.00 0.00 C ATOM 352 O ALA A 24 8.529 8.295 -4.196 1.00 0.00 O ATOM 353 CB ALA A 24 9.427 5.580 -2.427 1.00 0.00 C ATOM 0 H ALA A 24 7.119 5.029 -1.770 1.00 0.00 H new ATOM 0 HA ALA A 24 8.465 7.418 -1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.370 6.062 -2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.478 5.206 -1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.247 4.749 -3.108 1.00 0.00 H new ATOM 359 N GLY A 25 7.857 6.278 -4.903 1.00 0.00 N ATOM 360 CA GLY A 25 7.775 6.702 -6.293 1.00 0.00 C ATOM 361 C GLY A 25 6.723 7.791 -6.470 1.00 0.00 C ATOM 362 O GLY A 25 6.938 8.766 -7.195 1.00 0.00 O ATOM 0 H GLY A 25 7.609 5.303 -4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.746 7.072 -6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.529 5.848 -6.924 1.00 0.00 H new ATOM 366 N HIS A 26 5.577 7.616 -5.819 1.00 0.00 N ATOM 367 CA HIS A 26 4.494 8.585 -5.931 1.00 0.00 C ATOM 368 C HIS A 26 4.954 9.979 -5.522 1.00 0.00 C ATOM 369 O HIS A 26 4.761 10.938 -6.267 1.00 0.00 O ATOM 370 CB HIS A 26 3.332 8.173 -5.032 1.00 0.00 C ATOM 371 CG HIS A 26 2.720 6.906 -5.549 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.735 6.572 -6.893 1.00 0.00 N ATOM 373 CD2 HIS A 26 2.062 5.886 -4.916 1.00 0.00 C ATOM 374 CE1 HIS A 26 2.102 5.392 -7.023 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.671 4.930 -5.847 1.00 0.00 N ATOM 0 H HIS A 26 5.376 6.820 -5.214 1.00 0.00 H new ATOM 0 HA HIS A 26 4.178 8.607 -6.974 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.683 8.028 -4.010 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.583 8.965 -5.003 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.875 5.832 -3.854 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.960 4.881 -7.964 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.164 4.063 -5.670 1.00 0.00 H new ATOM 384 N LEU A 27 5.566 10.096 -4.342 1.00 0.00 N ATOM 385 CA LEU A 27 6.038 11.397 -3.875 1.00 0.00 C ATOM 386 C LEU A 27 7.441 11.689 -4.402 1.00 0.00 C ATOM 387 O LEU A 27 7.788 12.839 -4.668 1.00 0.00 O ATOM 388 CB LEU A 27 6.049 11.402 -2.346 1.00 0.00 C ATOM 389 CG LEU A 27 4.667 10.986 -1.826 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.687 10.942 -0.294 1.00 0.00 C ATOM 391 CD2 LEU A 27 3.603 11.991 -2.297 1.00 0.00 C ATOM 0 H LEU A 27 5.743 9.320 -3.704 1.00 0.00 H new ATOM 0 HA LEU A 27 5.367 12.171 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.811 10.717 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.305 12.395 -1.976 1.00 0.00 H new ATOM 0 HG LEU A 27 4.422 9.998 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.705 10.646 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.432 10.220 0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.939 11.929 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.625 11.688 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.845 12.983 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.583 12.016 -3.387 1.00 0.00 H new ATOM 403 N GLY A 28 8.245 10.638 -4.541 1.00 0.00 N ATOM 404 CA GLY A 28 9.623 10.767 -5.026 1.00 0.00 C ATOM 405 C GLY A 28 10.625 10.745 -3.868 1.00 0.00 C ATOM 406 O GLY A 28 11.835 10.793 -4.085 1.00 0.00 O ATOM 0 H GLY A 28 7.967 9.681 -4.324 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.845 9.954 -5.717 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.729 11.698 -5.584 1.00 0.00 H new ATOM 410 N LEU A 29 10.114 10.659 -2.642 1.00 0.00 N ATOM 411 CA LEU A 29 10.972 10.631 -1.459 1.00 0.00 C ATOM 412 C LEU A 29 11.680 9.284 -1.357 1.00 0.00 C ATOM 413 O LEU A 29 11.541 8.432 -2.233 1.00 0.00 O ATOM 414 CB LEU A 29 10.151 10.879 -0.196 1.00 0.00 C ATOM 415 CG LEU A 29 9.288 12.128 -0.382 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.488 12.389 0.896 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.179 13.341 -0.698 1.00 0.00 C ATOM 0 H LEU A 29 9.115 10.608 -2.442 1.00 0.00 H new ATOM 0 HA LEU A 29 11.716 11.422 -1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.519 10.016 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.813 11.006 0.661 1.00 0.00 H new ATOM 0 HG LEU A 29 8.601 11.970 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.873 13.279 0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.847 11.532 1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.174 12.542 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.556 14.226 -0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.875 13.506 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.739 13.153 -1.614 1.00 0.00 H new ATOM 429 N ASP A 30 12.439 9.098 -0.281 1.00 0.00 N ATOM 430 CA ASP A 30 13.161 7.847 -0.072 1.00 0.00 C ATOM 431 C ASP A 30 12.260 6.810 0.597 1.00 0.00 C ATOM 432 O ASP A 30 11.599 7.100 1.595 1.00 0.00 O ATOM 433 CB ASP A 30 14.387 8.096 0.805 1.00 0.00 C ATOM 434 CG ASP A 30 15.406 8.930 0.043 1.00 0.00 C ATOM 435 OD1 ASP A 30 15.240 9.081 -1.157 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.335 9.411 0.669 1.00 0.00 O ATOM 0 H ASP A 30 12.570 9.792 0.455 1.00 0.00 H new ATOM 0 HA ASP A 30 13.476 7.465 -1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.093 8.611 1.719 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.831 7.146 1.103 1.00 0.00 H new ATOM 441 N ALA A 31 12.245 5.598 0.045 1.00 0.00 N ATOM 442 CA ALA A 31 11.424 4.516 0.589 1.00 0.00 C ATOM 443 C ALA A 31 11.804 4.203 2.032 1.00 0.00 C ATOM 444 O ALA A 31 10.936 3.916 2.863 1.00 0.00 O ATOM 445 CB ALA A 31 11.590 3.257 -0.262 1.00 0.00 C ATOM 0 H ALA A 31 12.791 5.340 -0.777 1.00 0.00 H new ATOM 0 HA ALA A 31 10.385 4.843 0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.976 2.456 0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.277 3.465 -1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.636 2.950 -0.258 1.00 0.00 H new ATOM 451 N ALA A 32 13.094 4.292 2.336 1.00 0.00 N ATOM 452 CA ALA A 32 13.570 4.014 3.681 1.00 0.00 C ATOM 453 C ALA A 32 12.975 4.980 4.691 1.00 0.00 C ATOM 454 O ALA A 32 12.902 4.672 5.880 1.00 0.00 O ATOM 455 CB ALA A 32 15.094 4.113 3.715 1.00 0.00 C ATOM 0 H ALA A 32 13.823 4.553 1.672 1.00 0.00 H new ATOM 0 HA ALA A 32 13.255 3.006 3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.450 3.904 4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.521 3.388 3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.400 5.118 3.423 1.00 0.00 H new ATOM 461 N THR A 33 12.563 6.156 4.224 1.00 0.00 N ATOM 462 CA THR A 33 11.988 7.163 5.115 1.00 0.00 C ATOM 463 C THR A 33 10.619 7.601 4.623 1.00 0.00 C ATOM 464 O THR A 33 10.266 8.778 4.701 1.00 0.00 O ATOM 465 CB THR A 33 12.931 8.366 5.212 1.00 0.00 C ATOM 466 OG1 THR A 33 13.462 8.650 3.929 1.00 0.00 O ATOM 467 CG2 THR A 33 14.077 8.039 6.178 1.00 0.00 C ATOM 0 H THR A 33 12.615 6.434 3.244 1.00 0.00 H new ATOM 0 HA THR A 33 11.865 6.724 6.105 1.00 0.00 H new ATOM 0 HB THR A 33 12.382 9.233 5.580 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.065 9.421 3.988 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.749 8.894 6.248 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.669 7.816 7.164 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.628 7.174 5.809 1.00 0.00 H new ATOM 475 N ILE A 34 9.835 6.648 4.134 1.00 0.00 N ATOM 476 CA ILE A 34 8.492 6.985 3.670 1.00 0.00 C ATOM 477 C ILE A 34 7.565 7.179 4.855 1.00 0.00 C ATOM 478 O ILE A 34 7.184 8.304 5.178 1.00 0.00 O ATOM 479 CB ILE A 34 7.959 5.880 2.720 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.327 6.254 1.278 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.437 5.691 2.815 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.520 7.470 0.781 1.00 0.00 C ATOM 0 H ILE A 34 10.093 5.665 4.049 1.00 0.00 H new ATOM 0 HA ILE A 34 8.532 7.920 3.112 1.00 0.00 H new ATOM 0 HB ILE A 34 8.419 4.939 3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.393 6.476 1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.143 5.403 0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.124 4.905 2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.168 5.410 3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.937 6.623 2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.809 7.704 -0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.455 7.238 0.814 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.725 8.329 1.421 1.00 0.00 H new ATOM 494 N ALA A 35 7.184 6.073 5.473 1.00 0.00 N ATOM 495 CA ALA A 35 6.269 6.112 6.591 1.00 0.00 C ATOM 496 C ALA A 35 5.784 4.702 6.920 1.00 0.00 C ATOM 497 O ALA A 35 4.687 4.533 7.446 1.00 0.00 O ATOM 498 CB ALA A 35 5.061 7.010 6.238 1.00 0.00 C ATOM 0 H ALA A 35 7.498 5.137 5.215 1.00 0.00 H new ATOM 0 HA ALA A 35 6.784 6.521 7.460 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.371 7.039 7.081 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.410 8.019 6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.550 6.605 5.365 1.00 0.00 H new ATOM 504 N THR A 36 6.585 3.687 6.584 1.00 0.00 N ATOM 505 CA THR A 36 6.193 2.299 6.828 1.00 0.00 C ATOM 506 C THR A 36 5.421 2.162 8.133 1.00 0.00 C ATOM 507 O THR A 36 4.428 1.440 8.194 1.00 0.00 O ATOM 508 CB THR A 36 7.447 1.435 6.917 1.00 0.00 C ATOM 509 OG1 THR A 36 8.151 1.772 8.104 1.00 0.00 O ATOM 510 CG2 THR A 36 8.344 1.688 5.703 1.00 0.00 C ATOM 0 H THR A 36 7.500 3.800 6.147 1.00 0.00 H new ATOM 0 HA THR A 36 5.553 1.978 6.006 1.00 0.00 H new ATOM 0 HB THR A 36 7.165 0.382 6.934 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.959 1.221 8.173 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.237 1.067 5.775 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.801 1.439 4.791 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.634 2.738 5.677 1.00 0.00 H new ATOM 518 N ASP A 37 5.862 2.865 9.168 1.00 0.00 N ATOM 519 CA ASP A 37 5.182 2.813 10.458 1.00 0.00 C ATOM 520 C ASP A 37 4.244 4.004 10.612 1.00 0.00 C ATOM 521 O ASP A 37 3.355 3.997 11.463 1.00 0.00 O ATOM 522 CB ASP A 37 6.225 2.845 11.571 1.00 0.00 C ATOM 523 CG ASP A 37 7.169 4.031 11.378 1.00 0.00 C ATOM 524 OD1 ASP A 37 7.571 4.269 10.249 1.00 0.00 O ATOM 525 OD2 ASP A 37 7.483 4.681 12.361 1.00 0.00 O ATOM 0 H ASP A 37 6.680 3.473 9.142 1.00 0.00 H new ATOM 0 HA ASP A 37 4.597 1.895 10.517 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.731 2.918 12.540 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.794 1.915 11.573 1.00 0.00 H new ATOM 530 N LEU A 38 4.442 5.035 9.793 1.00 0.00 N ATOM 531 CA LEU A 38 3.603 6.233 9.873 1.00 0.00 C ATOM 532 C LEU A 38 2.465 6.168 8.852 1.00 0.00 C ATOM 533 O LEU A 38 2.570 5.493 7.831 1.00 0.00 O ATOM 534 CB LEU A 38 4.464 7.485 9.612 1.00 0.00 C ATOM 535 CG LEU A 38 5.209 7.897 10.896 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.477 8.668 10.530 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.312 8.784 11.763 1.00 0.00 C ATOM 0 H LEU A 38 5.166 5.068 9.075 1.00 0.00 H new ATOM 0 HA LEU A 38 3.169 6.287 10.871 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.181 7.283 8.816 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.832 8.305 9.271 1.00 0.00 H new ATOM 0 HG LEU A 38 5.473 6.998 11.453 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.002 8.958 11.440 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.125 8.035 9.923 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.210 9.561 9.965 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.848 9.070 12.668 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.038 9.680 11.206 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.410 8.235 12.034 1.00 0.00 H new ATOM 549 N PRO A 39 1.393 6.868 9.102 1.00 0.00 N ATOM 550 CA PRO A 39 0.239 6.911 8.164 1.00 0.00 C ATOM 551 C PRO A 39 0.581 7.694 6.890 1.00 0.00 C ATOM 552 O PRO A 39 1.642 8.310 6.789 1.00 0.00 O ATOM 553 CB PRO A 39 -0.864 7.613 8.974 1.00 0.00 C ATOM 554 CG PRO A 39 -0.141 8.433 9.992 1.00 0.00 C ATOM 555 CD PRO A 39 1.142 7.670 10.314 1.00 0.00 C ATOM 0 HA PRO A 39 -0.058 5.921 7.819 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.485 8.239 8.333 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.525 6.888 9.449 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.083 9.427 9.605 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.749 8.569 10.886 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.969 8.349 10.522 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.020 7.037 11.193 1.00 0.00 H new ATOM 563 N LEU A 40 -0.338 7.672 5.937 1.00 0.00 N ATOM 564 CA LEU A 40 -0.149 8.395 4.683 1.00 0.00 C ATOM 565 C LEU A 40 -0.309 9.892 4.902 1.00 0.00 C ATOM 566 O LEU A 40 0.181 10.705 4.118 1.00 0.00 O ATOM 567 CB LEU A 40 -1.166 7.907 3.633 1.00 0.00 C ATOM 568 CG LEU A 40 -2.586 8.401 3.979 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.543 8.036 2.848 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.049 7.759 5.288 1.00 0.00 C ATOM 0 H LEU A 40 -1.220 7.164 6.005 1.00 0.00 H new ATOM 0 HA LEU A 40 0.860 8.201 4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.880 8.270 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.155 6.818 3.588 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.576 9.484 4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.546 8.385 3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.210 8.508 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.557 6.954 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.052 8.110 5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.060 6.675 5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.365 8.035 6.090 1.00 0.00 H new ATOM 582 N THR A 41 -1.013 10.247 5.969 1.00 0.00 N ATOM 583 CA THR A 41 -1.258 11.646 6.280 1.00 0.00 C ATOM 584 C THR A 41 0.050 12.411 6.313 1.00 0.00 C ATOM 585 O THR A 41 0.090 13.585 5.962 1.00 0.00 O ATOM 586 CB THR A 41 -1.974 11.783 7.625 1.00 0.00 C ATOM 587 OG1 THR A 41 -2.976 10.784 7.724 1.00 0.00 O ATOM 588 CG2 THR A 41 -2.628 13.165 7.725 1.00 0.00 C ATOM 0 H THR A 41 -1.422 9.587 6.630 1.00 0.00 H new ATOM 0 HA THR A 41 -1.897 12.063 5.501 1.00 0.00 H new ATOM 0 HB THR A 41 -1.252 11.666 8.433 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.436 10.867 8.585 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.137 13.258 8.684 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.862 13.937 7.644 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.351 13.285 6.918 1.00 0.00 H new ATOM 596 N SER A 42 1.114 11.751 6.758 1.00 0.00 N ATOM 597 CA SER A 42 2.421 12.391 6.845 1.00 0.00 C ATOM 598 C SER A 42 2.726 13.186 5.574 1.00 0.00 C ATOM 599 O SER A 42 3.439 14.189 5.618 1.00 0.00 O ATOM 600 CB SER A 42 3.503 11.317 7.044 1.00 0.00 C ATOM 601 OG SER A 42 3.535 10.477 5.898 1.00 0.00 O ATOM 0 H SER A 42 1.097 10.778 7.063 1.00 0.00 H new ATOM 0 HA SER A 42 2.414 13.078 7.691 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.476 11.785 7.195 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.290 10.729 7.937 1.00 0.00 H new ATOM 0 HG SER A 42 4.062 10.907 5.192 1.00 0.00 H new ATOM 607 N TYR A 43 2.186 12.736 4.445 1.00 0.00 N ATOM 608 CA TYR A 43 2.422 13.408 3.169 1.00 0.00 C ATOM 609 C TYR A 43 1.619 14.702 3.086 1.00 0.00 C ATOM 610 O TYR A 43 1.747 15.468 2.131 1.00 0.00 O ATOM 611 CB TYR A 43 2.031 12.465 2.023 1.00 0.00 C ATOM 612 CG TYR A 43 2.443 11.044 2.349 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.591 10.781 3.119 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.664 9.979 1.878 1.00 0.00 C ATOM 615 CE1 TYR A 43 3.951 9.465 3.407 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.033 8.663 2.167 1.00 0.00 C ATOM 617 CZ TYR A 43 3.173 8.408 2.937 1.00 0.00 C ATOM 618 OH TYR A 43 3.532 7.112 3.235 1.00 0.00 O ATOM 0 H TYR A 43 1.585 11.914 4.386 1.00 0.00 H new ATOM 0 HA TYR A 43 3.479 13.661 3.088 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.955 12.510 1.857 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.510 12.787 1.098 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.193 11.598 3.487 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.779 10.175 1.292 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.834 9.264 3.995 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.438 7.842 1.796 1.00 0.00 H new ATOM 0 HH TYR A 43 2.886 6.493 2.834 1.00 0.00 H new ATOM 628 N GLY A 44 0.821 14.954 4.108 1.00 0.00 N ATOM 629 CA GLY A 44 0.034 16.175 4.158 1.00 0.00 C ATOM 630 C GLY A 44 -0.941 16.232 2.996 1.00 0.00 C ATOM 631 O GLY A 44 -1.405 17.305 2.618 1.00 0.00 O ATOM 0 H GLY A 44 0.700 14.335 4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.512 16.223 5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.695 17.041 4.128 1.00 0.00 H new ATOM 635 N LEU A 45 -1.242 15.076 2.423 1.00 0.00 N ATOM 636 CA LEU A 45 -2.158 15.019 1.298 1.00 0.00 C ATOM 637 C LEU A 45 -3.601 15.301 1.721 1.00 0.00 C ATOM 638 O LEU A 45 -4.053 14.865 2.778 1.00 0.00 O ATOM 639 CB LEU A 45 -2.067 13.633 0.639 1.00 0.00 C ATOM 640 CG LEU A 45 -2.847 12.581 1.460 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.780 11.219 0.768 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.226 12.465 2.852 1.00 0.00 C ATOM 0 H LEU A 45 -0.868 14.173 2.716 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.869 15.793 0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.467 13.680 -0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.022 13.333 0.555 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.888 12.893 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.333 10.485 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.220 11.294 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.740 10.905 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.774 11.724 3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.184 12.158 2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.277 13.431 3.355 1.00 0.00 H new ATOM 654 N ASP A 46 -4.324 16.030 0.892 1.00 0.00 N ATOM 655 CA ASP A 46 -5.714 16.341 1.201 1.00 0.00 C ATOM 656 C ASP A 46 -6.583 15.089 1.065 1.00 0.00 C ATOM 657 O ASP A 46 -6.112 14.038 0.631 1.00 0.00 O ATOM 658 CB ASP A 46 -6.226 17.424 0.261 1.00 0.00 C ATOM 659 CG ASP A 46 -5.579 18.757 0.612 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.978 18.842 1.670 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.692 19.674 -0.184 1.00 0.00 O ATOM 0 H ASP A 46 -3.982 16.415 0.011 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.769 16.700 2.229 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.999 17.160 -0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.310 17.504 0.339 1.00 0.00 H new ATOM 666 N SER A 47 -7.853 15.214 1.439 1.00 0.00 N ATOM 667 CA SER A 47 -8.785 14.092 1.356 1.00 0.00 C ATOM 668 C SER A 47 -9.061 13.722 -0.100 1.00 0.00 C ATOM 669 O SER A 47 -9.240 12.551 -0.433 1.00 0.00 O ATOM 670 CB SER A 47 -10.098 14.451 2.055 1.00 0.00 C ATOM 671 OG SER A 47 -10.802 13.257 2.371 1.00 0.00 O ATOM 0 H SER A 47 -8.260 16.076 1.801 1.00 0.00 H new ATOM 0 HA SER A 47 -8.332 13.234 1.852 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.897 15.020 2.963 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.706 15.085 1.410 1.00 0.00 H new ATOM 0 HG SER A 47 -11.643 13.482 2.820 1.00 0.00 H new ATOM 677 N VAL A 48 -9.092 14.732 -0.960 1.00 0.00 N ATOM 678 CA VAL A 48 -9.343 14.512 -2.379 1.00 0.00 C ATOM 679 C VAL A 48 -8.188 13.751 -3.017 1.00 0.00 C ATOM 680 O VAL A 48 -8.355 13.076 -4.032 1.00 0.00 O ATOM 681 CB VAL A 48 -9.538 15.852 -3.093 1.00 0.00 C ATOM 682 CG1 VAL A 48 -8.254 16.677 -3.002 1.00 0.00 C ATOM 683 CG2 VAL A 48 -9.876 15.598 -4.565 1.00 0.00 C ATOM 0 H VAL A 48 -8.947 15.708 -0.701 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.251 13.917 -2.479 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.352 16.399 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.397 17.630 -3.511 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.011 16.858 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.437 16.132 -3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.015 16.551 -5.076 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.060 15.049 -5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.793 15.013 -4.632 1.00 0.00 H new ATOM 693 N TYR A 49 -7.010 13.874 -2.419 1.00 0.00 N ATOM 694 CA TYR A 49 -5.832 13.197 -2.943 1.00 0.00 C ATOM 695 C TYR A 49 -5.969 11.684 -2.790 1.00 0.00 C ATOM 696 O TYR A 49 -5.729 10.928 -3.728 1.00 0.00 O ATOM 697 CB TYR A 49 -4.570 13.683 -2.201 1.00 0.00 C ATOM 698 CG TYR A 49 -3.407 13.812 -3.162 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.490 14.707 -4.232 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.258 13.033 -2.988 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.426 14.826 -5.129 1.00 0.00 C ATOM 702 CE2 TYR A 49 -1.195 13.148 -3.883 1.00 0.00 C ATOM 703 CZ TYR A 49 -1.277 14.044 -4.958 1.00 0.00 C ATOM 704 OH TYR A 49 -0.230 14.157 -5.847 1.00 0.00 O ATOM 0 H TYR A 49 -6.846 14.430 -1.580 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.741 13.435 -4.003 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.767 14.645 -1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.316 12.982 -1.405 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.378 15.307 -4.365 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.194 12.342 -2.160 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.489 15.520 -5.954 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.308 12.547 -3.748 1.00 0.00 H new ATOM 0 HH TYR A 49 0.490 13.546 -5.584 1.00 0.00 H new ATOM 714 N ALA A 50 -6.356 11.252 -1.595 1.00 0.00 N ATOM 715 CA ALA A 50 -6.500 9.830 -1.326 1.00 0.00 C ATOM 716 C ALA A 50 -7.305 9.161 -2.423 1.00 0.00 C ATOM 717 O ALA A 50 -7.018 8.036 -2.818 1.00 0.00 O ATOM 718 CB ALA A 50 -7.203 9.622 0.017 1.00 0.00 C ATOM 0 H ALA A 50 -6.573 11.860 -0.806 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.506 9.383 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.307 8.555 0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.613 10.080 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.190 10.083 -0.014 1.00 0.00 H new ATOM 724 N LEU A 51 -8.305 9.859 -2.927 1.00 0.00 N ATOM 725 CA LEU A 51 -9.132 9.300 -3.980 1.00 0.00 C ATOM 726 C LEU A 51 -8.291 8.952 -5.204 1.00 0.00 C ATOM 727 O LEU A 51 -8.351 7.831 -5.716 1.00 0.00 O ATOM 728 CB LEU A 51 -10.210 10.315 -4.371 1.00 0.00 C ATOM 729 CG LEU A 51 -11.023 9.799 -5.592 1.00 0.00 C ATOM 730 CD1 LEU A 51 -12.514 10.081 -5.379 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.560 10.512 -6.872 1.00 0.00 C ATOM 0 H LEU A 51 -8.562 10.800 -2.630 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.597 8.386 -3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.879 10.488 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.747 11.272 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.860 8.726 -5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.079 9.718 -6.237 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.855 9.572 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.669 11.154 -5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.135 10.144 -7.722 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.715 11.586 -6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.501 10.313 -7.037 1.00 0.00 H new ATOM 743 N SER A 52 -7.499 9.911 -5.663 1.00 0.00 N ATOM 744 CA SER A 52 -6.652 9.688 -6.825 1.00 0.00 C ATOM 745 C SER A 52 -5.564 8.674 -6.514 1.00 0.00 C ATOM 746 O SER A 52 -5.343 7.731 -7.272 1.00 0.00 O ATOM 747 CB SER A 52 -6.006 11.003 -7.250 1.00 0.00 C ATOM 748 OG SER A 52 -5.288 10.805 -8.462 1.00 0.00 O ATOM 0 H SER A 52 -7.426 10.842 -5.253 1.00 0.00 H new ATOM 0 HA SER A 52 -7.273 9.300 -7.632 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.770 11.769 -7.387 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.334 11.360 -6.470 1.00 0.00 H new ATOM 0 HG SER A 52 -4.873 11.649 -8.738 1.00 0.00 H new ATOM 754 N ILE A 53 -4.880 8.875 -5.395 1.00 0.00 N ATOM 755 CA ILE A 53 -3.807 7.972 -5.009 1.00 0.00 C ATOM 756 C ILE A 53 -4.350 6.585 -4.700 1.00 0.00 C ATOM 757 O ILE A 53 -3.961 5.603 -5.326 1.00 0.00 O ATOM 758 CB ILE A 53 -3.092 8.520 -3.774 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.646 9.962 -4.040 1.00 0.00 C ATOM 760 CG2 ILE A 53 -1.872 7.656 -3.431 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.755 10.045 -5.278 1.00 0.00 C ATOM 0 H ILE A 53 -5.047 9.645 -4.747 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.107 7.897 -5.841 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.781 8.499 -2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.521 10.597 -4.176 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.106 10.344 -3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.376 8.061 -2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.195 6.635 -3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.178 7.657 -4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.454 11.080 -5.441 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.868 9.429 -5.130 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.306 9.686 -6.147 1.00 0.00 H new ATOM 773 N ALA A 54 -5.268 6.506 -3.749 1.00 0.00 N ATOM 774 CA ALA A 54 -5.840 5.222 -3.378 1.00 0.00 C ATOM 775 C ALA A 54 -6.295 4.466 -4.617 1.00 0.00 C ATOM 776 O ALA A 54 -6.130 3.249 -4.693 1.00 0.00 O ATOM 777 CB ALA A 54 -7.025 5.427 -2.433 1.00 0.00 C ATOM 0 H ALA A 54 -5.629 7.304 -3.226 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.074 4.636 -2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.446 4.459 -2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.688 5.941 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.787 6.027 -2.930 1.00 0.00 H new ATOM 783 N ALA A 55 -6.849 5.191 -5.587 1.00 0.00 N ATOM 784 CA ALA A 55 -7.304 4.565 -6.823 1.00 0.00 C ATOM 785 C ALA A 55 -6.117 4.033 -7.627 1.00 0.00 C ATOM 786 O ALA A 55 -6.169 2.945 -8.182 1.00 0.00 O ATOM 787 CB ALA A 55 -8.080 5.573 -7.660 1.00 0.00 C ATOM 0 H ALA A 55 -6.992 6.200 -5.541 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.955 3.729 -6.567 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.417 5.098 -8.582 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.944 5.925 -7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.435 6.418 -7.902 1.00 0.00 H new ATOM 793 N GLU A 56 -5.051 4.815 -7.694 1.00 0.00 N ATOM 794 CA GLU A 56 -3.870 4.397 -8.442 1.00 0.00 C ATOM 795 C GLU A 56 -3.231 3.150 -7.818 1.00 0.00 C ATOM 796 O GLU A 56 -2.893 2.191 -8.521 1.00 0.00 O ATOM 797 CB GLU A 56 -2.843 5.535 -8.473 1.00 0.00 C ATOM 798 CG GLU A 56 -3.292 6.615 -9.458 1.00 0.00 C ATOM 799 CD GLU A 56 -2.313 7.784 -9.431 1.00 0.00 C ATOM 800 OE1 GLU A 56 -1.285 7.656 -8.784 1.00 0.00 O ATOM 801 OE2 GLU A 56 -2.606 8.790 -10.054 1.00 0.00 O ATOM 0 H GLU A 56 -4.976 5.729 -7.248 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.183 4.153 -9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.731 5.963 -7.477 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.867 5.148 -8.765 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.349 6.200 -10.464 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.293 6.962 -9.199 1.00 0.00 H new ATOM 808 N LEU A 57 -3.074 3.168 -6.501 1.00 0.00 N ATOM 809 CA LEU A 57 -2.465 2.037 -5.797 1.00 0.00 C ATOM 810 C LEU A 57 -3.285 0.765 -5.989 1.00 0.00 C ATOM 811 O LEU A 57 -2.752 -0.286 -6.330 1.00 0.00 O ATOM 812 CB LEU A 57 -2.372 2.368 -4.297 1.00 0.00 C ATOM 813 CG LEU A 57 -1.095 3.162 -4.002 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.146 4.503 -4.712 1.00 0.00 C ATOM 815 CD2 LEU A 57 -0.982 3.392 -2.493 1.00 0.00 C ATOM 0 H LEU A 57 -3.355 3.943 -5.900 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.470 1.866 -6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.245 2.945 -3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.378 1.447 -3.714 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.231 2.600 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.235 5.063 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.230 4.343 -5.787 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.010 5.068 -4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.075 3.957 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.849 3.952 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.941 2.431 -1.981 1.00 0.00 H new ATOM 827 N GLU A 58 -4.582 0.864 -5.763 1.00 0.00 N ATOM 828 CA GLU A 58 -5.444 -0.295 -5.913 1.00 0.00 C ATOM 829 C GLU A 58 -5.631 -0.645 -7.389 1.00 0.00 C ATOM 830 O GLU A 58 -5.658 -1.817 -7.763 1.00 0.00 O ATOM 831 CB GLU A 58 -6.791 -0.019 -5.248 1.00 0.00 C ATOM 832 CG GLU A 58 -7.463 1.214 -5.895 1.00 0.00 C ATOM 833 CD GLU A 58 -8.506 0.805 -6.939 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.127 0.191 -7.923 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.666 1.129 -6.746 1.00 0.00 O ATOM 0 H GLU A 58 -5.057 1.721 -5.479 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.976 -1.150 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.439 -0.890 -5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.650 0.153 -4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.939 1.817 -5.122 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.703 1.839 -6.364 1.00 0.00 H new ATOM 842 N ASP A 59 -5.763 0.381 -8.226 1.00 0.00 N ATOM 843 CA ASP A 59 -5.952 0.166 -9.656 1.00 0.00 C ATOM 844 C ASP A 59 -4.779 -0.613 -10.226 1.00 0.00 C ATOM 845 O ASP A 59 -4.902 -1.283 -11.250 1.00 0.00 O ATOM 846 CB ASP A 59 -6.090 1.508 -10.382 1.00 0.00 C ATOM 847 CG ASP A 59 -6.113 1.298 -11.889 1.00 0.00 C ATOM 848 OD1 ASP A 59 -7.160 0.942 -12.402 1.00 0.00 O ATOM 849 OD2 ASP A 59 -5.082 1.498 -12.509 1.00 0.00 O ATOM 0 H ASP A 59 -5.743 1.360 -7.941 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.866 -0.409 -9.804 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.005 2.008 -10.064 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.260 2.161 -10.112 1.00 0.00 H new ATOM 854 N HIS A 60 -3.642 -0.519 -9.553 1.00 0.00 N ATOM 855 CA HIS A 60 -2.450 -1.228 -9.998 1.00 0.00 C ATOM 856 C HIS A 60 -2.568 -2.728 -9.742 1.00 0.00 C ATOM 857 O HIS A 60 -2.066 -3.539 -10.519 1.00 0.00 O ATOM 858 CB HIS A 60 -1.204 -0.685 -9.260 1.00 0.00 C ATOM 859 CG HIS A 60 -0.620 0.471 -10.050 1.00 0.00 C ATOM 860 ND1 HIS A 60 -0.248 0.341 -11.384 1.00 0.00 N ATOM 861 CD2 HIS A 60 -0.362 1.780 -9.721 1.00 0.00 C ATOM 862 CE1 HIS A 60 0.206 1.538 -11.800 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.158 2.450 -10.827 1.00 0.00 N ATOM 0 H HIS A 60 -3.519 0.035 -8.705 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.348 -1.064 -11.071 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.476 -0.355 -8.257 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.461 -1.475 -9.146 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.536 2.223 -8.751 1.00 0.00 H new ATOM 0 HE1 HIS A 60 0.565 1.736 -12.799 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.441 3.428 -10.881 1.00 0.00 H new ATOM 872 N LEU A 61 -3.171 -3.089 -8.617 1.00 0.00 N ATOM 873 CA LEU A 61 -3.281 -4.487 -8.219 1.00 0.00 C ATOM 874 C LEU A 61 -4.664 -5.016 -8.516 1.00 0.00 C ATOM 875 O LEU A 61 -5.119 -5.967 -7.889 1.00 0.00 O ATOM 876 CB LEU A 61 -2.985 -4.586 -6.716 1.00 0.00 C ATOM 877 CG LEU A 61 -1.458 -4.454 -6.459 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.794 -3.420 -7.386 1.00 0.00 C ATOM 879 CD2 LEU A 61 -1.225 -3.980 -5.029 1.00 0.00 C ATOM 0 H LEU A 61 -3.593 -2.431 -7.962 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.566 -5.088 -8.781 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.520 -3.802 -6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.345 -5.539 -6.329 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.022 -5.436 -6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.272 -3.366 -7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.936 -3.719 -8.425 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.248 -2.442 -7.225 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.154 -3.887 -4.846 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.704 -3.011 -4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.650 -4.702 -4.332 1.00 0.00 H new ATOM 891 N ASP A 62 -5.323 -4.412 -9.489 1.00 0.00 N ATOM 892 CA ASP A 62 -6.653 -4.852 -9.866 1.00 0.00 C ATOM 893 C ASP A 62 -7.519 -5.093 -8.640 1.00 0.00 C ATOM 894 O ASP A 62 -7.992 -6.207 -8.415 1.00 0.00 O ATOM 895 CB ASP A 62 -6.548 -6.140 -10.663 1.00 0.00 C ATOM 896 CG ASP A 62 -6.007 -5.844 -12.066 1.00 0.00 C ATOM 897 OD1 ASP A 62 -5.870 -4.676 -12.393 1.00 0.00 O ATOM 898 OD2 ASP A 62 -5.740 -6.789 -12.791 1.00 0.00 O ATOM 0 H ASP A 62 -4.963 -3.624 -10.027 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.116 -4.070 -10.468 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.890 -6.842 -10.151 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.527 -6.615 -10.734 1.00 0.00 H new ATOM 903 N VAL A 63 -7.727 -4.049 -7.857 1.00 0.00 N ATOM 904 CA VAL A 63 -8.547 -4.157 -6.656 1.00 0.00 C ATOM 905 C VAL A 63 -9.217 -2.824 -6.356 1.00 0.00 C ATOM 906 O VAL A 63 -8.801 -1.788 -6.864 1.00 0.00 O ATOM 907 CB VAL A 63 -7.668 -4.578 -5.468 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.407 -6.079 -5.521 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.325 -3.854 -5.554 1.00 0.00 C ATOM 0 H VAL A 63 -7.343 -3.120 -8.027 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.319 -4.909 -6.819 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.181 -4.324 -4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.783 -6.370 -4.676 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.355 -6.615 -5.474 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.896 -6.327 -6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.698 -4.150 -4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.828 -4.118 -6.488 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.490 -2.777 -5.523 1.00 0.00 H new ATOM 919 N SER A 64 -10.272 -2.862 -5.545 1.00 0.00 N ATOM 920 CA SER A 64 -11.005 -1.651 -5.175 1.00 0.00 C ATOM 921 C SER A 64 -10.960 -1.473 -3.663 1.00 0.00 C ATOM 922 O SER A 64 -10.970 -2.450 -2.914 1.00 0.00 O ATOM 923 CB SER A 64 -12.456 -1.746 -5.631 1.00 0.00 C ATOM 924 OG SER A 64 -13.132 -0.548 -5.272 1.00 0.00 O ATOM 0 H SER A 64 -10.640 -3.719 -5.131 1.00 0.00 H new ATOM 0 HA SER A 64 -10.538 -0.795 -5.663 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.503 -1.896 -6.710 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.941 -2.605 -5.168 1.00 0.00 H new ATOM 0 HG SER A 64 -14.066 -0.600 -5.563 1.00 0.00 H new ATOM 930 N LEU A 65 -10.888 -0.221 -3.220 1.00 0.00 N ATOM 931 CA LEU A 65 -10.813 0.087 -1.788 1.00 0.00 C ATOM 932 C LEU A 65 -12.091 0.751 -1.332 1.00 0.00 C ATOM 933 O LEU A 65 -12.817 1.333 -2.137 1.00 0.00 O ATOM 934 CB LEU A 65 -9.641 1.029 -1.510 1.00 0.00 C ATOM 935 CG LEU A 65 -8.422 0.575 -2.301 1.00 0.00 C ATOM 936 CD1 LEU A 65 -7.242 1.531 -2.033 1.00 0.00 C ATOM 937 CD2 LEU A 65 -8.046 -0.850 -1.893 1.00 0.00 C ATOM 0 H LEU A 65 -10.880 0.598 -3.828 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.669 -0.846 -1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.908 2.049 -1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.413 1.037 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.655 0.590 -3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.371 1.203 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.515 2.541 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.004 1.526 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.173 -1.173 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.816 -0.875 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.881 -1.520 -2.099 1.00 0.00 H new ATOM 949 N ASP A 66 -12.371 0.661 -0.034 1.00 0.00 N ATOM 950 CA ASP A 66 -13.584 1.262 0.508 1.00 0.00 C ATOM 951 C ASP A 66 -13.285 2.644 1.117 1.00 0.00 C ATOM 952 O ASP A 66 -12.212 2.864 1.669 1.00 0.00 O ATOM 953 CB ASP A 66 -14.200 0.327 1.572 1.00 0.00 C ATOM 954 CG ASP A 66 -15.481 -0.327 1.040 1.00 0.00 C ATOM 955 OD1 ASP A 66 -15.366 -1.258 0.260 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.552 0.128 1.406 1.00 0.00 O ATOM 0 H ASP A 66 -11.784 0.185 0.652 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.298 1.398 -0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.480 -0.443 1.848 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.423 0.893 2.476 1.00 0.00 H new ATOM 961 N PRO A 67 -14.211 3.567 1.044 1.00 0.00 N ATOM 962 CA PRO A 67 -14.022 4.932 1.621 1.00 0.00 C ATOM 963 C PRO A 67 -13.498 4.910 3.065 1.00 0.00 C ATOM 964 O PRO A 67 -12.356 5.283 3.330 1.00 0.00 O ATOM 965 CB PRO A 67 -15.432 5.553 1.561 1.00 0.00 C ATOM 966 CG PRO A 67 -16.157 4.809 0.484 1.00 0.00 C ATOM 967 CD PRO A 67 -15.532 3.417 0.409 1.00 0.00 C ATOM 0 HA PRO A 67 -13.271 5.496 1.068 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.944 5.454 2.518 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.381 6.618 1.335 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -17.221 4.743 0.710 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.065 5.326 -0.471 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.142 2.680 0.932 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.439 3.079 -0.623 1.00 0.00 H new ATOM 975 N THR A 68 -14.352 4.488 3.990 1.00 0.00 N ATOM 976 CA THR A 68 -13.983 4.443 5.401 1.00 0.00 C ATOM 977 C THR A 68 -12.857 3.449 5.635 1.00 0.00 C ATOM 978 O THR A 68 -12.175 3.495 6.656 1.00 0.00 O ATOM 979 CB THR A 68 -15.198 4.049 6.241 1.00 0.00 C ATOM 980 OG1 THR A 68 -14.811 3.936 7.604 1.00 0.00 O ATOM 981 CG2 THR A 68 -15.746 2.707 5.755 1.00 0.00 C ATOM 0 H THR A 68 -15.301 4.173 3.790 1.00 0.00 H new ATOM 0 HA THR A 68 -13.638 5.434 5.697 1.00 0.00 H new ATOM 0 HB THR A 68 -15.970 4.812 6.141 1.00 0.00 H new ATOM 0 HG1 THR A 68 -15.589 3.685 8.145 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.612 2.429 6.356 1.00 0.00 H new ATOM 0 HG22 THR A 68 -16.042 2.792 4.709 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.975 1.942 5.853 1.00 0.00 H new ATOM 989 N LEU A 69 -12.666 2.553 4.680 1.00 0.00 N ATOM 990 CA LEU A 69 -11.612 1.555 4.792 1.00 0.00 C ATOM 991 C LEU A 69 -10.237 2.190 4.602 1.00 0.00 C ATOM 992 O LEU A 69 -9.295 1.884 5.329 1.00 0.00 O ATOM 993 CB LEU A 69 -11.835 0.448 3.763 1.00 0.00 C ATOM 994 CG LEU A 69 -10.772 -0.655 3.936 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.282 -1.942 3.279 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.408 -0.237 3.311 1.00 0.00 C ATOM 0 H LEU A 69 -13.221 2.495 3.826 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.647 1.124 5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.832 0.025 3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.782 0.861 2.756 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.606 -0.818 5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.538 -2.730 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.213 -2.249 3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.459 -1.764 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.683 -1.038 3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.539 -0.048 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.047 0.669 3.798 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.132 3.086 3.628 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.863 3.754 3.356 1.00 0.00 C ATOM 1010 C ILE A 70 -8.332 4.412 4.624 1.00 0.00 C ATOM 1011 O ILE A 70 -7.126 4.426 4.869 1.00 0.00 O ATOM 1012 CB ILE A 70 -9.056 4.802 2.253 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.348 4.095 0.922 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.780 5.632 2.109 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.950 5.092 -0.070 1.00 0.00 C ATOM 0 H ILE A 70 -10.901 3.365 3.019 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.136 3.015 3.020 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.890 5.453 2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.430 3.672 0.515 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -10.037 3.266 1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.917 6.377 1.325 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.564 6.134 3.052 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.948 4.978 1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.156 4.587 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.878 5.494 0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.245 5.906 -0.240 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.240 4.952 5.428 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.850 5.600 6.673 1.00 0.00 C ATOM 1029 C TRP A 71 -8.656 4.564 7.777 1.00 0.00 C ATOM 1030 O TRP A 71 -8.205 4.891 8.875 1.00 0.00 O ATOM 1031 CB TRP A 71 -9.920 6.611 7.095 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.874 7.795 6.186 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.832 8.126 5.290 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.828 8.804 6.061 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.446 9.279 4.629 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.218 9.734 5.068 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.593 9.003 6.708 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.407 10.821 4.728 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.779 10.094 6.368 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.185 11.001 5.381 1.00 0.00 C ATOM 0 H TRP A 71 -10.243 4.954 5.242 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.906 6.121 6.511 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.907 6.149 7.058 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.753 6.924 8.126 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.748 7.580 5.119 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.001 9.737 3.906 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.270 8.311 7.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.723 11.517 3.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.834 10.235 6.870 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.554 11.839 5.125 1.00 0.00 H new ATOM 1051 N ASP A 72 -9.000 3.310 7.475 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.857 2.225 8.447 1.00 0.00 C ATOM 1053 C ASP A 72 -7.441 1.664 8.418 1.00 0.00 C ATOM 1054 O ASP A 72 -6.886 1.289 9.451 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.858 1.111 8.146 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.913 0.145 9.324 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -8.960 0.116 10.085 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.909 -0.547 9.451 1.00 0.00 O ATOM 0 H ASP A 72 -9.377 3.022 6.572 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.056 2.627 9.440 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.846 1.535 7.963 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.566 0.580 7.240 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.857 1.615 7.218 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.494 1.108 7.041 1.00 0.00 C ATOM 1065 C HIS A 73 -4.604 2.169 6.384 1.00 0.00 C ATOM 1066 O HIS A 73 -4.022 1.937 5.326 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.530 -0.148 6.165 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.645 -1.041 6.619 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.038 -1.127 7.944 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.469 -1.891 5.927 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.061 -1.999 8.007 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.363 -2.494 6.803 1.00 0.00 N ATOM 0 H HIS A 73 -7.307 1.920 6.355 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.079 0.865 8.019 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.673 0.128 5.120 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.578 -0.676 6.228 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.627 -0.622 8.729 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.429 -2.065 4.862 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.575 -2.266 8.919 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.488 3.321 6.996 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.652 4.441 6.470 1.00 0.00 C ATOM 1083 C PRO A 74 -2.162 4.163 6.615 1.00 0.00 C ATOM 1084 O PRO A 74 -1.332 4.982 6.223 1.00 0.00 O ATOM 1085 CB PRO A 74 -4.069 5.636 7.339 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.533 5.037 8.625 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.151 3.688 8.256 1.00 0.00 C ATOM 0 HA PRO A 74 -3.807 4.603 5.403 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.233 6.317 7.500 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.863 6.212 6.863 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.703 4.910 9.320 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.263 5.681 9.115 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.973 2.943 9.031 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.231 3.766 8.130 1.00 0.00 H new ATOM 1095 N THR A 75 -1.833 3.005 7.177 1.00 0.00 N ATOM 1096 CA THR A 75 -0.431 2.622 7.379 1.00 0.00 C ATOM 1097 C THR A 75 -0.072 1.417 6.518 1.00 0.00 C ATOM 1098 O THR A 75 -0.934 0.623 6.143 1.00 0.00 O ATOM 1099 CB THR A 75 -0.194 2.283 8.855 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.278 1.502 9.335 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.096 3.573 9.671 1.00 0.00 C ATOM 0 H THR A 75 -2.511 2.315 7.501 1.00 0.00 H new ATOM 0 HA THR A 75 0.201 3.461 7.088 1.00 0.00 H new ATOM 0 HB THR A 75 0.736 1.723 8.954 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.130 1.281 10.278 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.072 3.328 10.720 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.734 4.175 9.301 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.024 4.136 9.574 1.00 0.00 H new ATOM 1109 N ILE A 76 1.213 1.297 6.207 1.00 0.00 N ATOM 1110 CA ILE A 76 1.692 0.198 5.383 1.00 0.00 C ATOM 1111 C ILE A 76 1.491 -1.129 6.097 1.00 0.00 C ATOM 1112 O ILE A 76 1.081 -2.116 5.491 1.00 0.00 O ATOM 1113 CB ILE A 76 3.181 0.384 5.051 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.410 1.793 4.463 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.644 -0.697 4.046 1.00 0.00 C ATOM 1116 CD1 ILE A 76 2.442 2.073 3.316 1.00 0.00 C ATOM 0 H ILE A 76 1.939 1.946 6.512 1.00 0.00 H new ATOM 0 HA ILE A 76 1.119 0.194 4.456 1.00 0.00 H new ATOM 0 HB ILE A 76 3.766 0.280 5.965 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.280 2.542 5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.436 1.879 4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.700 -0.554 3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.497 -1.685 4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.061 -0.614 3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.626 3.072 2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.591 1.337 2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.417 2.010 3.681 1.00 0.00 H new ATOM 1128 N ASP A 77 1.792 -1.149 7.385 1.00 0.00 N ATOM 1129 CA ASP A 77 1.652 -2.364 8.166 1.00 0.00 C ATOM 1130 C ASP A 77 0.219 -2.887 8.065 1.00 0.00 C ATOM 1131 O ASP A 77 -0.004 -4.090 7.911 1.00 0.00 O ATOM 1132 CB ASP A 77 2.003 -2.070 9.631 1.00 0.00 C ATOM 1133 CG ASP A 77 3.513 -2.143 9.860 1.00 0.00 C ATOM 1134 OD1 ASP A 77 4.225 -2.490 8.931 1.00 0.00 O ATOM 1135 OD2 ASP A 77 3.935 -1.856 10.968 1.00 0.00 O ATOM 0 H ASP A 77 2.133 -0.342 7.908 1.00 0.00 H new ATOM 0 HA ASP A 77 2.330 -3.124 7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.638 -1.080 9.904 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.498 -2.786 10.280 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.749 -1.983 8.142 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.143 -2.378 8.054 1.00 0.00 C ATOM 1142 C ALA A 78 -2.493 -2.780 6.633 1.00 0.00 C ATOM 1143 O ALA A 78 -3.127 -3.810 6.406 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.038 -1.214 8.490 1.00 0.00 C ATOM 0 H ALA A 78 -0.594 -0.982 8.264 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.305 -3.232 8.712 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.084 -1.514 8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.804 -0.941 9.519 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.864 -0.357 7.839 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.107 -1.950 5.679 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.430 -2.230 4.291 1.00 0.00 C ATOM 1152 C LEU A 79 -1.777 -3.535 3.845 1.00 0.00 C ATOM 1153 O LEU A 79 -2.404 -4.367 3.192 1.00 0.00 O ATOM 1154 CB LEU A 79 -1.946 -1.077 3.394 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.908 -0.856 2.204 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.221 -2.185 1.485 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.225 -0.213 2.706 1.00 0.00 C ATOM 0 H LEU A 79 -1.579 -1.091 5.835 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.512 -2.327 4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.873 -0.162 3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.946 -1.298 3.021 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.420 -0.189 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.900 -1.997 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.296 -2.621 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.689 -2.877 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.899 -0.059 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.698 -0.873 3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.006 0.746 3.175 1.00 0.00 H new ATOM 1169 N SER A 80 -0.511 -3.697 4.207 1.00 0.00 N ATOM 1170 CA SER A 80 0.225 -4.894 3.836 1.00 0.00 C ATOM 1171 C SER A 80 -0.433 -6.124 4.440 1.00 0.00 C ATOM 1172 O SER A 80 -0.630 -7.127 3.758 1.00 0.00 O ATOM 1173 CB SER A 80 1.669 -4.789 4.322 1.00 0.00 C ATOM 1174 OG SER A 80 2.309 -3.707 3.658 1.00 0.00 O ATOM 0 H SER A 80 0.022 -3.020 4.752 1.00 0.00 H new ATOM 0 HA SER A 80 0.218 -4.987 2.750 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.692 -4.634 5.401 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.201 -5.719 4.123 1.00 0.00 H new ATOM 0 HG SER A 80 1.958 -2.859 4.001 1.00 0.00 H new ATOM 1180 N THR A 81 -0.777 -6.033 5.723 1.00 0.00 N ATOM 1181 CA THR A 81 -1.419 -7.146 6.414 1.00 0.00 C ATOM 1182 C THR A 81 -2.744 -7.493 5.731 1.00 0.00 C ATOM 1183 O THR A 81 -3.081 -8.665 5.535 1.00 0.00 O ATOM 1184 CB THR A 81 -1.671 -6.778 7.877 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.428 -6.533 8.521 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.391 -7.930 8.579 1.00 0.00 C ATOM 0 H THR A 81 -0.623 -5.206 6.300 1.00 0.00 H new ATOM 0 HA THR A 81 -0.760 -8.013 6.373 1.00 0.00 H new ATOM 0 HB THR A 81 -2.291 -5.883 7.925 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.332 -5.573 8.693 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.570 -7.666 9.621 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.344 -8.119 8.084 1.00 0.00 H new ATOM 0 HG23 THR A 81 -1.774 -8.827 8.533 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.496 -6.468 5.373 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.773 -6.678 4.713 1.00 0.00 C ATOM 1196 C ALA A 82 -4.566 -7.244 3.312 1.00 0.00 C ATOM 1197 O ALA A 82 -5.330 -8.100 2.865 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.539 -5.360 4.619 1.00 0.00 C ATOM 0 H ALA A 82 -3.248 -5.490 5.526 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.348 -7.392 5.303 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.495 -5.529 4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.715 -4.969 5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.955 -4.640 4.046 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.537 -6.754 2.615 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.267 -7.205 1.255 1.00 0.00 C ATOM 1206 C LEU A 83 -2.966 -8.704 1.233 1.00 0.00 C ATOM 1207 O LEU A 83 -3.519 -9.446 0.424 1.00 0.00 O ATOM 1208 CB LEU A 83 -2.074 -6.417 0.673 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.240 -6.257 -0.839 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -1.053 -5.457 -1.396 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.316 -7.647 -1.497 1.00 0.00 C ATOM 0 H LEU A 83 -2.886 -6.053 2.969 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.152 -7.024 0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.010 -5.437 1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.142 -6.938 0.892 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.162 -5.718 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.167 -5.340 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.024 -4.474 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.125 -5.988 -1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.434 -7.533 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.399 -8.199 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.168 -8.194 -1.094 1.00 0.00 H new ATOM 1223 N VAL A 84 -2.104 -9.150 2.136 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.763 -10.562 2.206 1.00 0.00 C ATOM 1225 C VAL A 84 -2.950 -11.367 2.724 1.00 0.00 C ATOM 1226 O VAL A 84 -3.086 -12.554 2.431 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.550 -10.758 3.126 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -0.889 -10.282 4.534 1.00 0.00 C ATOM 1229 CG2 VAL A 84 -0.150 -12.238 3.172 1.00 0.00 C ATOM 0 H VAL A 84 -1.633 -8.561 2.823 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.513 -10.916 1.206 1.00 0.00 H new ATOM 0 HB VAL A 84 0.284 -10.176 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.025 -10.423 5.184 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.154 -9.225 4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.731 -10.857 4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.712 -12.362 3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.984 -12.829 3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.107 -12.577 2.168 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.810 -10.711 3.490 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.982 -11.359 4.048 1.00 0.00 C ATOM 1241 C ALA A 85 -6.052 -11.535 2.989 1.00 0.00 C ATOM 1242 O ALA A 85 -6.922 -12.395 3.121 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.535 -10.543 5.216 1.00 0.00 C ATOM 0 H ALA A 85 -3.715 -9.726 3.738 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.686 -12.343 4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.414 -11.042 5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.774 -10.456 5.992 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.812 -9.548 4.866 1.00 0.00 H new