USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=19 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 92:sc= -4.46! USER MOD Set 1.2: A 26 HIS : no HE2:sc= -4.63! C(o=-9.1!,f=-14!) USER MOD Single : A 11 THR OG1 : rot 23:sc= 0.218 USER MOD Single : A 14 SER OG : rot -126:sc= -1.36! USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.545 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0902 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -177:sc= -1.5 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 HE2:sc= -1.94! C(o=-1.9!,f=-6.1!) 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= -1.78 K(o=-1.8,f=-4.5!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 66:sc= 0.526 USER MOD Single : A 81 THR OG1 : rot 95:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 11 4.196 -12.432 -2.289 1.00 0.00 N ATOM 137 CA THR A 11 4.752 -12.737 -0.972 1.00 0.00 C ATOM 138 C THR A 11 4.711 -11.501 -0.082 1.00 0.00 C ATOM 139 O THR A 11 4.695 -10.370 -0.567 1.00 0.00 O ATOM 140 CB THR A 11 6.198 -13.214 -1.120 1.00 0.00 C ATOM 141 OG1 THR A 11 6.252 -14.262 -2.079 1.00 0.00 O ATOM 142 CG2 THR A 11 6.707 -13.725 0.226 1.00 0.00 C ATOM 0 HA THR A 11 4.154 -13.524 -0.512 1.00 0.00 H new ATOM 0 HB THR A 11 6.824 -12.385 -1.451 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.478 -14.199 -2.677 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.737 -14.065 0.120 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.664 -12.921 0.960 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.084 -14.555 0.559 1.00 0.00 H new ATOM 150 N LEU A 12 4.680 -11.727 1.224 1.00 0.00 N ATOM 151 CA LEU A 12 4.611 -10.630 2.180 1.00 0.00 C ATOM 152 C LEU A 12 5.700 -9.608 1.876 1.00 0.00 C ATOM 153 O LEU A 12 5.473 -8.400 1.964 1.00 0.00 O ATOM 154 CB LEU A 12 4.807 -11.170 3.601 1.00 0.00 C ATOM 155 CG LEU A 12 3.515 -11.837 4.085 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.227 -13.080 3.229 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.675 -12.251 5.553 1.00 0.00 C ATOM 0 H LEU A 12 4.701 -12.656 1.645 1.00 0.00 H new ATOM 0 HA LEU A 12 3.634 -10.153 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.626 -11.889 3.617 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.082 -10.358 4.274 1.00 0.00 H new ATOM 0 HG LEU A 12 2.686 -11.135 3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.308 -13.554 3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.114 -12.785 2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.054 -13.784 3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.757 -12.726 5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.504 -12.953 5.645 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.878 -11.369 6.160 1.00 0.00 H new ATOM 169 N ASP A 13 6.879 -10.097 1.519 1.00 0.00 N ATOM 170 CA ASP A 13 7.989 -9.211 1.208 1.00 0.00 C ATOM 171 C ASP A 13 7.749 -8.492 -0.112 1.00 0.00 C ATOM 172 O ASP A 13 8.091 -7.324 -0.247 1.00 0.00 O ATOM 173 CB ASP A 13 9.294 -9.995 1.114 1.00 0.00 C ATOM 174 CG ASP A 13 9.346 -11.040 2.229 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.828 -10.762 3.297 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.896 -12.105 1.995 1.00 0.00 O ATOM 0 H ASP A 13 7.090 -11.092 1.438 1.00 0.00 H new ATOM 0 HA ASP A 13 8.063 -8.479 2.012 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.368 -10.482 0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.144 -9.317 1.197 1.00 0.00 H new ATOM 181 N SER A 14 7.162 -9.197 -1.082 1.00 0.00 N ATOM 182 CA SER A 14 6.893 -8.601 -2.387 1.00 0.00 C ATOM 183 C SER A 14 5.845 -7.500 -2.265 1.00 0.00 C ATOM 184 O SER A 14 5.930 -6.451 -2.924 1.00 0.00 O ATOM 185 CB SER A 14 6.410 -9.669 -3.353 1.00 0.00 C ATOM 186 OG SER A 14 5.193 -10.229 -2.871 1.00 0.00 O ATOM 0 H SER A 14 6.868 -10.169 -0.988 1.00 0.00 H new ATOM 0 HA SER A 14 7.816 -8.163 -2.767 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.258 -9.238 -4.342 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.165 -10.448 -3.458 1.00 0.00 H new ATOM 0 HG SER A 14 5.281 -11.203 -2.814 1.00 0.00 H new ATOM 192 N LEU A 15 4.849 -7.725 -1.427 1.00 0.00 N ATOM 193 CA LEU A 15 3.819 -6.724 -1.235 1.00 0.00 C ATOM 194 C LEU A 15 4.380 -5.579 -0.401 1.00 0.00 C ATOM 195 O LEU A 15 4.527 -4.459 -0.882 1.00 0.00 O ATOM 196 CB LEU A 15 2.613 -7.345 -0.527 1.00 0.00 C ATOM 197 CG LEU A 15 2.099 -8.521 -1.356 1.00 0.00 C ATOM 198 CD1 LEU A 15 1.041 -9.275 -0.552 1.00 0.00 C ATOM 199 CD2 LEU A 15 1.484 -8.007 -2.672 1.00 0.00 C ATOM 0 H LEU A 15 4.733 -8.577 -0.878 1.00 0.00 H new ATOM 0 HA LEU A 15 3.498 -6.343 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.895 -7.683 0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.826 -6.601 -0.401 1.00 0.00 H new ATOM 0 HG LEU A 15 2.927 -9.190 -1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.670 -10.116 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.482 -9.644 0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.215 -8.603 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.120 -8.851 -3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.655 -7.336 -2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.242 -7.470 -3.242 1.00 0.00 H new ATOM 211 N ARG A 16 4.682 -5.866 0.854 1.00 0.00 N ATOM 212 CA ARG A 16 5.198 -4.837 1.753 1.00 0.00 C ATOM 213 C ARG A 16 6.111 -3.861 1.002 1.00 0.00 C ATOM 214 O ARG A 16 5.937 -2.634 1.085 1.00 0.00 O ATOM 215 CB ARG A 16 5.993 -5.503 2.873 1.00 0.00 C ATOM 216 CG ARG A 16 6.621 -4.432 3.802 1.00 0.00 C ATOM 217 CD ARG A 16 8.093 -4.193 3.434 1.00 0.00 C ATOM 218 NE ARG A 16 8.730 -3.363 4.442 1.00 0.00 N ATOM 219 CZ ARG A 16 10.024 -3.091 4.373 1.00 0.00 C ATOM 220 NH1 ARG A 16 10.741 -3.573 3.395 1.00 0.00 N ATOM 221 NH2 ARG A 16 10.578 -2.341 5.283 1.00 0.00 N ATOM 0 H ARG A 16 4.582 -6.790 1.274 1.00 0.00 H new ATOM 0 HA ARG A 16 4.355 -4.280 2.163 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.340 -6.157 3.451 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.777 -6.130 2.448 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.064 -3.499 3.719 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.548 -4.756 4.840 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.615 -5.146 3.353 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.159 -3.710 2.459 1.00 0.00 H new ATOM 0 HE ARG A 16 8.175 -2.986 5.210 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.305 -4.159 2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.738 -3.363 3.342 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.015 -1.965 6.046 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.575 -2.130 5.232 1.00 0.00 H new ATOM 235 N VAL A 17 7.072 -4.409 0.256 1.00 0.00 N ATOM 236 CA VAL A 17 7.997 -3.582 -0.516 1.00 0.00 C ATOM 237 C VAL A 17 7.228 -2.777 -1.565 1.00 0.00 C ATOM 238 O VAL A 17 7.562 -1.627 -1.845 1.00 0.00 O ATOM 239 CB VAL A 17 9.041 -4.470 -1.202 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.800 -5.304 -0.142 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.325 -5.400 -2.166 1.00 0.00 C ATOM 0 H VAL A 17 7.228 -5.413 0.171 1.00 0.00 H new ATOM 0 HA VAL A 17 8.504 -2.892 0.159 1.00 0.00 H new ATOM 0 HB VAL A 17 9.758 -3.851 -1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.541 -5.933 -0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.301 -4.635 0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.094 -5.933 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.054 -6.040 -2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.615 -6.018 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.791 -4.811 -2.911 1.00 0.00 H new ATOM 251 N TRP A 18 6.195 -3.384 -2.147 1.00 0.00 N ATOM 252 CA TRP A 18 5.398 -2.686 -3.149 1.00 0.00 C ATOM 253 C TRP A 18 4.751 -1.432 -2.550 1.00 0.00 C ATOM 254 O TRP A 18 4.834 -0.350 -3.123 1.00 0.00 O ATOM 255 CB TRP A 18 4.301 -3.637 -3.698 1.00 0.00 C ATOM 256 CG TRP A 18 2.930 -3.180 -3.261 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.214 -3.680 -2.217 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.114 -2.114 -3.818 1.00 0.00 C ATOM 259 NE1 TRP A 18 1.038 -2.996 -2.106 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.925 -2.023 -3.059 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.279 -1.221 -4.894 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.051 -1.096 -3.344 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.283 -0.284 -5.184 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.125 -0.226 -4.405 1.00 0.00 C ATOM 0 H TRP A 18 5.896 -4.338 -1.946 1.00 0.00 H new ATOM 0 HA TRP A 18 6.053 -2.378 -3.964 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.350 -3.667 -4.786 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.482 -4.652 -3.343 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.527 -4.491 -1.577 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.330 -3.188 -1.398 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.175 -1.260 -5.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.948 -1.048 -2.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.409 0.397 -6.013 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.638 0.503 -4.633 1.00 0.00 H new ATOM 275 N LEU A 19 4.092 -1.604 -1.408 1.00 0.00 N ATOM 276 CA LEU A 19 3.405 -0.493 -0.758 1.00 0.00 C ATOM 277 C LEU A 19 4.360 0.664 -0.519 1.00 0.00 C ATOM 278 O LEU A 19 4.152 1.767 -1.028 1.00 0.00 O ATOM 279 CB LEU A 19 2.821 -0.975 0.587 1.00 0.00 C ATOM 280 CG LEU A 19 1.283 -1.146 0.498 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.847 -2.374 1.288 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.593 0.108 1.054 1.00 0.00 C ATOM 0 H LEU A 19 4.019 -2.495 -0.917 1.00 0.00 H new ATOM 0 HA LEU A 19 2.602 -0.145 -1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.280 -1.923 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.066 -0.258 1.371 1.00 0.00 H new ATOM 0 HG LEU A 19 0.997 -1.281 -0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.235 -2.485 1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.330 -3.261 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.134 -2.255 2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.488 -0.013 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.882 0.251 2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.895 0.978 0.471 1.00 0.00 H new ATOM 294 N VAL A 20 5.404 0.412 0.251 1.00 0.00 N ATOM 295 CA VAL A 20 6.363 1.464 0.547 1.00 0.00 C ATOM 296 C VAL A 20 6.944 2.019 -0.741 1.00 0.00 C ATOM 297 O VAL A 20 7.011 3.235 -0.923 1.00 0.00 O ATOM 298 CB VAL A 20 7.477 0.902 1.431 1.00 0.00 C ATOM 299 CG1 VAL A 20 8.121 -0.304 0.743 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.531 1.979 1.669 1.00 0.00 C ATOM 0 H VAL A 20 5.608 -0.493 0.676 1.00 0.00 H new ATOM 0 HA VAL A 20 5.859 2.273 1.076 1.00 0.00 H new ATOM 0 HB VAL A 20 7.057 0.589 2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.915 -0.703 1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.367 -1.074 0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.540 0.005 -0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.325 1.578 2.299 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.950 2.295 0.714 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.072 2.834 2.164 1.00 0.00 H new ATOM 310 N ASP A 21 7.367 1.134 -1.628 1.00 0.00 N ATOM 311 CA ASP A 21 7.945 1.568 -2.889 1.00 0.00 C ATOM 312 C ASP A 21 6.942 2.418 -3.664 1.00 0.00 C ATOM 313 O ASP A 21 7.319 3.356 -4.368 1.00 0.00 O ATOM 314 CB ASP A 21 8.348 0.348 -3.720 1.00 0.00 C ATOM 315 CG ASP A 21 8.994 0.788 -5.029 1.00 0.00 C ATOM 316 OD1 ASP A 21 8.991 1.977 -5.300 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.482 -0.073 -5.745 1.00 0.00 O ATOM 0 H ASP A 21 7.322 0.123 -1.501 1.00 0.00 H new ATOM 0 HA ASP A 21 8.830 2.171 -2.684 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.043 -0.272 -3.154 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.471 -0.265 -3.928 1.00 0.00 H new ATOM 322 N CYS A 22 5.664 2.086 -3.526 1.00 0.00 N ATOM 323 CA CYS A 22 4.620 2.830 -4.215 1.00 0.00 C ATOM 324 C CYS A 22 4.617 4.280 -3.759 1.00 0.00 C ATOM 325 O CYS A 22 4.600 5.200 -4.578 1.00 0.00 O ATOM 326 CB CYS A 22 3.240 2.177 -3.938 1.00 0.00 C ATOM 327 SG CYS A 22 2.040 3.381 -3.291 1.00 0.00 S ATOM 0 H CYS A 22 5.329 1.314 -2.949 1.00 0.00 H new ATOM 0 HA CYS A 22 4.816 2.805 -5.287 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.854 1.738 -4.858 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.360 1.363 -3.223 1.00 0.00 H new ATOM 0 HG CYS A 22 1.377 3.906 -4.278 1.00 0.00 H new ATOM 333 N VAL A 23 4.610 4.480 -2.446 1.00 0.00 N ATOM 334 CA VAL A 23 4.580 5.831 -1.907 1.00 0.00 C ATOM 335 C VAL A 23 5.843 6.586 -2.305 1.00 0.00 C ATOM 336 O VAL A 23 5.775 7.718 -2.784 1.00 0.00 O ATOM 337 CB VAL A 23 4.482 5.781 -0.389 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.218 7.183 0.178 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.351 4.842 0.040 1.00 0.00 C ATOM 0 H VAL A 23 4.624 3.737 -1.747 1.00 0.00 H new ATOM 0 HA VAL A 23 3.710 6.348 -2.312 1.00 0.00 H new ATOM 0 HB VAL A 23 5.429 5.408 0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.151 7.129 1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.034 7.849 -0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.281 7.568 -0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.293 4.816 1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.406 5.202 -0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.549 3.838 -0.337 1.00 0.00 H new ATOM 349 N ALA A 24 7.000 5.955 -2.109 1.00 0.00 N ATOM 350 CA ALA A 24 8.265 6.589 -2.457 1.00 0.00 C ATOM 351 C ALA A 24 8.199 7.143 -3.869 1.00 0.00 C ATOM 352 O ALA A 24 8.531 8.297 -4.103 1.00 0.00 O ATOM 353 CB ALA A 24 9.396 5.567 -2.361 1.00 0.00 C ATOM 0 H ALA A 24 7.085 5.018 -1.716 1.00 0.00 H new ATOM 0 HA ALA A 24 8.454 7.407 -1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.341 6.044 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.453 5.182 -1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.203 4.745 -3.050 1.00 0.00 H new ATOM 359 N GLY A 25 7.776 6.312 -4.810 1.00 0.00 N ATOM 360 CA GLY A 25 7.675 6.745 -6.198 1.00 0.00 C ATOM 361 C GLY A 25 6.657 7.873 -6.341 1.00 0.00 C ATOM 362 O GLY A 25 6.894 8.849 -7.057 1.00 0.00 O ATOM 0 H GLY A 25 7.500 5.345 -4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.650 7.082 -6.550 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.383 5.903 -6.826 1.00 0.00 H new ATOM 366 N HIS A 26 5.524 7.734 -5.663 1.00 0.00 N ATOM 367 CA HIS A 26 4.473 8.744 -5.738 1.00 0.00 C ATOM 368 C HIS A 26 5.008 10.118 -5.347 1.00 0.00 C ATOM 369 O HIS A 26 4.859 11.079 -6.100 1.00 0.00 O ATOM 370 CB HIS A 26 3.325 8.376 -4.797 1.00 0.00 C ATOM 371 CG HIS A 26 2.633 7.142 -5.301 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.587 6.820 -6.646 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.949 6.143 -4.652 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.898 5.671 -6.764 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.487 5.215 -5.578 1.00 0.00 N ATOM 0 H HIS A 26 5.309 6.940 -5.060 1.00 0.00 H new ATOM 0 HA HIS A 26 4.116 8.780 -6.767 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.707 8.205 -3.791 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.616 9.201 -4.732 1.00 0.00 H new ATOM 0 HD1 HIS A 26 3.000 7.356 -7.409 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.794 6.087 -3.585 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.701 5.177 -7.704 1.00 0.00 H new ATOM 384 N LEU A 27 5.632 10.212 -4.172 1.00 0.00 N ATOM 385 CA LEU A 27 6.171 11.491 -3.716 1.00 0.00 C ATOM 386 C LEU A 27 7.575 11.714 -4.267 1.00 0.00 C ATOM 387 O LEU A 27 7.964 12.842 -4.565 1.00 0.00 O ATOM 388 CB LEU A 27 6.207 11.506 -2.188 1.00 0.00 C ATOM 389 CG LEU A 27 4.820 11.141 -1.645 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.856 11.134 -0.115 1.00 0.00 C ATOM 391 CD2 LEU A 27 3.783 12.167 -2.127 1.00 0.00 C ATOM 0 H LEU A 27 5.775 9.432 -3.530 1.00 0.00 H new ATOM 0 HA LEU A 27 5.529 12.293 -4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.951 10.798 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.503 12.492 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 27 4.542 10.152 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.870 10.875 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.585 10.400 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.139 12.123 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.800 11.901 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.059 13.159 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.753 12.170 -3.217 1.00 0.00 H new ATOM 403 N GLY A 28 8.335 10.632 -4.393 1.00 0.00 N ATOM 404 CA GLY A 28 9.705 10.700 -4.905 1.00 0.00 C ATOM 405 C GLY A 28 10.726 10.659 -3.767 1.00 0.00 C ATOM 406 O GLY A 28 11.934 10.664 -4.008 1.00 0.00 O ATOM 0 H GLY A 28 8.027 9.691 -4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.883 9.868 -5.586 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.835 11.616 -5.481 1.00 0.00 H new ATOM 410 N LEU A 29 10.239 10.616 -2.530 1.00 0.00 N ATOM 411 CA LEU A 29 11.121 10.578 -1.369 1.00 0.00 C ATOM 412 C LEU A 29 11.803 9.218 -1.267 1.00 0.00 C ATOM 413 O LEU A 29 11.629 8.359 -2.130 1.00 0.00 O ATOM 414 CB LEU A 29 10.328 10.855 -0.089 1.00 0.00 C ATOM 415 CG LEU A 29 9.511 12.140 -0.258 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.737 12.424 1.031 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.447 13.317 -0.574 1.00 0.00 C ATOM 0 H LEU A 29 9.244 10.607 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 29 11.882 11.349 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.666 10.017 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.007 10.953 0.758 1.00 0.00 H new ATOM 0 HG LEU A 29 8.809 12.016 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.155 13.338 0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.066 11.592 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.438 12.545 1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.859 14.227 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.157 13.447 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.990 13.113 -1.497 1.00 0.00 H new ATOM 429 N ASP A 30 12.584 9.034 -0.208 1.00 0.00 N ATOM 430 CA ASP A 30 13.292 7.774 0.004 1.00 0.00 C ATOM 431 C ASP A 30 12.387 6.744 0.673 1.00 0.00 C ATOM 432 O ASP A 30 11.766 7.021 1.699 1.00 0.00 O ATOM 433 CB ASP A 30 14.526 8.005 0.874 1.00 0.00 C ATOM 434 CG ASP A 30 15.267 6.691 1.091 1.00 0.00 C ATOM 435 OD1 ASP A 30 14.774 5.672 0.633 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.319 6.724 1.707 1.00 0.00 O ATOM 0 H ASP A 30 12.743 9.736 0.514 1.00 0.00 H new ATOM 0 HA ASP A 30 13.597 7.392 -0.970 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.186 8.729 0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.230 8.427 1.834 1.00 0.00 H new ATOM 441 N ALA A 31 12.325 5.551 0.088 1.00 0.00 N ATOM 442 CA ALA A 31 11.497 4.480 0.634 1.00 0.00 C ATOM 443 C ALA A 31 11.906 4.145 2.063 1.00 0.00 C ATOM 444 O ALA A 31 11.055 3.855 2.910 1.00 0.00 O ATOM 445 CB ALA A 31 11.620 3.229 -0.240 1.00 0.00 C ATOM 0 H ALA A 31 12.835 5.302 -0.759 1.00 0.00 H new ATOM 0 HA ALA A 31 10.462 4.823 0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.000 2.434 0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.289 3.459 -1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.660 2.903 -0.264 1.00 0.00 H new ATOM 451 N ALA A 32 13.204 4.200 2.330 1.00 0.00 N ATOM 452 CA ALA A 32 13.714 3.888 3.657 1.00 0.00 C ATOM 453 C ALA A 32 13.141 4.822 4.706 1.00 0.00 C ATOM 454 O ALA A 32 13.093 4.483 5.889 1.00 0.00 O ATOM 455 CB ALA A 32 15.239 3.984 3.661 1.00 0.00 C ATOM 0 H ALA A 32 13.919 4.456 1.649 1.00 0.00 H new ATOM 0 HA ALA A 32 13.407 2.872 3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.616 3.750 4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.650 3.276 2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.541 4.995 3.388 1.00 0.00 H new ATOM 461 N THR A 33 12.719 6.007 4.278 1.00 0.00 N ATOM 462 CA THR A 33 12.163 6.994 5.201 1.00 0.00 C ATOM 463 C THR A 33 10.821 7.500 4.705 1.00 0.00 C ATOM 464 O THR A 33 10.522 8.691 4.790 1.00 0.00 O ATOM 465 CB THR A 33 13.148 8.160 5.360 1.00 0.00 C ATOM 466 OG1 THR A 33 13.767 8.424 4.112 1.00 0.00 O ATOM 467 CG2 THR A 33 14.222 7.790 6.392 1.00 0.00 C ATOM 0 H THR A 33 12.750 6.308 3.304 1.00 0.00 H new ATOM 0 HA THR A 33 12.007 6.520 6.170 1.00 0.00 H new ATOM 0 HB THR A 33 12.610 9.046 5.699 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.396 9.169 4.210 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.921 8.619 6.503 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.748 7.583 7.352 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.761 6.905 6.055 1.00 0.00 H new ATOM 475 N ILE A 34 9.999 6.594 4.196 1.00 0.00 N ATOM 476 CA ILE A 34 8.683 7.002 3.723 1.00 0.00 C ATOM 477 C ILE A 34 7.742 7.226 4.899 1.00 0.00 C ATOM 478 O ILE A 34 7.411 8.364 5.232 1.00 0.00 O ATOM 479 CB ILE A 34 8.120 5.925 2.764 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.472 6.304 1.319 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.592 5.776 2.875 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.644 7.508 0.844 1.00 0.00 C ATOM 0 H ILE A 34 10.209 5.600 4.101 1.00 0.00 H new ATOM 0 HA ILE A 34 8.772 7.943 3.181 1.00 0.00 H new ATOM 0 HB ILE A 34 8.570 4.973 3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.534 6.540 1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.291 5.453 0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.250 5.008 2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.327 5.489 3.893 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.115 6.725 2.630 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.915 7.754 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.583 7.261 0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.846 8.365 1.487 1.00 0.00 H new ATOM 494 N ALA A 35 7.292 6.133 5.494 1.00 0.00 N ATOM 495 CA ALA A 35 6.348 6.204 6.598 1.00 0.00 C ATOM 496 C ALA A 35 5.735 4.829 6.853 1.00 0.00 C ATOM 497 O ALA A 35 4.642 4.734 7.401 1.00 0.00 O ATOM 498 CB ALA A 35 5.233 7.216 6.267 1.00 0.00 C ATOM 0 H ALA A 35 7.565 5.186 5.231 1.00 0.00 H new ATOM 0 HA ALA A 35 6.876 6.529 7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.528 7.265 7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.672 8.200 6.104 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.709 6.899 5.365 1.00 0.00 H new ATOM 504 N THR A 36 6.420 3.769 6.437 1.00 0.00 N ATOM 505 CA THR A 36 5.898 2.417 6.622 1.00 0.00 C ATOM 506 C THR A 36 5.195 2.280 7.967 1.00 0.00 C ATOM 507 O THR A 36 4.187 1.585 8.075 1.00 0.00 O ATOM 508 CB THR A 36 7.054 1.416 6.571 1.00 0.00 C ATOM 509 OG1 THR A 36 7.691 1.381 7.841 1.00 0.00 O ATOM 510 CG2 THR A 36 8.066 1.849 5.508 1.00 0.00 C ATOM 0 H THR A 36 7.328 3.816 5.974 1.00 0.00 H new ATOM 0 HA THR A 36 5.181 2.217 5.826 1.00 0.00 H new ATOM 0 HB THR A 36 6.670 0.427 6.319 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.432 0.740 7.818 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.888 1.133 5.475 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.578 1.886 4.534 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.455 2.837 5.757 1.00 0.00 H new ATOM 518 N ASP A 37 5.717 2.955 8.984 1.00 0.00 N ATOM 519 CA ASP A 37 5.116 2.902 10.313 1.00 0.00 C ATOM 520 C ASP A 37 4.200 4.102 10.528 1.00 0.00 C ATOM 521 O ASP A 37 3.352 4.095 11.420 1.00 0.00 O ATOM 522 CB ASP A 37 6.221 2.914 11.368 1.00 0.00 C ATOM 523 CG ASP A 37 7.139 4.119 11.160 1.00 0.00 C ATOM 524 OD1 ASP A 37 7.017 4.766 10.132 1.00 0.00 O ATOM 525 OD2 ASP A 37 7.951 4.377 12.034 1.00 0.00 O ATOM 0 H ASP A 37 6.549 3.542 8.916 1.00 0.00 H new ATOM 0 HA ASP A 37 4.528 1.988 10.400 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.781 2.951 12.365 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.800 1.992 11.309 1.00 0.00 H new ATOM 530 N LEU A 38 4.373 5.140 9.708 1.00 0.00 N ATOM 531 CA LEU A 38 3.550 6.345 9.827 1.00 0.00 C ATOM 532 C LEU A 38 2.421 6.330 8.795 1.00 0.00 C ATOM 533 O LEU A 38 2.546 5.726 7.730 1.00 0.00 O ATOM 534 CB LEU A 38 4.427 7.595 9.624 1.00 0.00 C ATOM 535 CG LEU A 38 5.139 7.956 10.941 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.421 8.726 10.632 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.227 8.822 11.815 1.00 0.00 C ATOM 0 H LEU A 38 5.068 5.172 8.962 1.00 0.00 H new ATOM 0 HA LEU A 38 3.108 6.369 10.823 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.163 7.410 8.842 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.812 8.431 9.292 1.00 0.00 H new ATOM 0 HG LEU A 38 5.379 7.037 11.476 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.925 8.982 11.564 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.079 8.107 10.021 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.175 9.639 10.090 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.742 9.071 12.743 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.976 9.739 11.282 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.313 8.273 12.043 1.00 0.00 H new ATOM 549 N PRO A 39 1.331 6.989 9.087 1.00 0.00 N ATOM 550 CA PRO A 39 0.167 7.063 8.162 1.00 0.00 C ATOM 551 C PRO A 39 0.499 7.852 6.896 1.00 0.00 C ATOM 552 O PRO A 39 1.582 8.422 6.765 1.00 0.00 O ATOM 553 CB PRO A 39 -0.919 7.767 8.995 1.00 0.00 C ATOM 554 CG PRO A 39 -0.178 8.534 10.042 1.00 0.00 C ATOM 555 CD PRO A 39 1.082 7.731 10.335 1.00 0.00 C ATOM 0 HA PRO A 39 -0.145 6.081 7.807 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.522 8.430 8.375 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.600 7.044 9.445 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.070 9.535 9.690 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.783 8.653 10.941 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.920 8.381 10.587 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.938 7.056 11.179 1.00 0.00 H new ATOM 563 N LEU A 40 -0.453 7.882 5.977 1.00 0.00 N ATOM 564 CA LEU A 40 -0.280 8.618 4.731 1.00 0.00 C ATOM 565 C LEU A 40 -0.424 10.119 4.956 1.00 0.00 C ATOM 566 O LEU A 40 0.050 10.927 4.162 1.00 0.00 O ATOM 567 CB LEU A 40 -1.305 8.140 3.689 1.00 0.00 C ATOM 568 CG LEU A 40 -2.709 8.672 4.028 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.689 8.292 2.916 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.171 8.077 5.360 1.00 0.00 C ATOM 0 H LEU A 40 -1.351 7.407 6.068 1.00 0.00 H new ATOM 0 HA LEU A 40 0.726 8.425 4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.010 8.482 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.320 7.051 3.659 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.676 9.758 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.681 8.671 3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.357 8.727 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.728 7.207 2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.165 8.453 5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.203 6.990 5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.474 8.363 6.148 1.00 0.00 H new ATOM 582 N THR A 41 -1.105 10.479 6.037 1.00 0.00 N ATOM 583 CA THR A 41 -1.338 11.880 6.344 1.00 0.00 C ATOM 584 C THR A 41 -0.022 12.633 6.414 1.00 0.00 C ATOM 585 O THR A 41 0.035 13.814 6.084 1.00 0.00 O ATOM 586 CB THR A 41 -2.077 12.013 7.678 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.112 11.044 7.743 1.00 0.00 O ATOM 588 CG2 THR A 41 -2.686 13.414 7.796 1.00 0.00 C ATOM 0 H THR A 41 -1.502 9.824 6.710 1.00 0.00 H new ATOM 0 HA THR A 41 -1.950 12.308 5.550 1.00 0.00 H new ATOM 0 HB THR A 41 -1.374 11.855 8.496 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.585 11.127 8.597 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.211 13.504 8.747 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.893 14.161 7.747 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.388 13.576 6.978 1.00 0.00 H new ATOM 596 N SER A 42 1.024 11.949 6.852 1.00 0.00 N ATOM 597 CA SER A 42 2.337 12.572 6.973 1.00 0.00 C ATOM 598 C SER A 42 2.685 13.346 5.702 1.00 0.00 C ATOM 599 O SER A 42 3.372 14.365 5.757 1.00 0.00 O ATOM 600 CB SER A 42 3.399 11.493 7.223 1.00 0.00 C ATOM 601 OG SER A 42 4.688 12.050 7.007 1.00 0.00 O ATOM 0 H SER A 42 0.992 10.968 7.129 1.00 0.00 H new ATOM 0 HA SER A 42 2.315 13.268 7.812 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.319 11.115 8.242 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.239 10.646 6.556 1.00 0.00 H new ATOM 0 HG SER A 42 5.371 11.366 7.167 1.00 0.00 H new ATOM 607 N TYR A 43 2.210 12.857 4.562 1.00 0.00 N ATOM 608 CA TYR A 43 2.482 13.508 3.285 1.00 0.00 C ATOM 609 C TYR A 43 1.704 14.811 3.167 1.00 0.00 C ATOM 610 O TYR A 43 1.876 15.567 2.210 1.00 0.00 O ATOM 611 CB TYR A 43 2.106 12.563 2.140 1.00 0.00 C ATOM 612 CG TYR A 43 2.520 11.145 2.477 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.676 10.894 3.240 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.743 10.073 2.018 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.043 9.580 3.538 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.118 8.761 2.319 1.00 0.00 C ATOM 617 CZ TYR A 43 3.265 8.516 3.080 1.00 0.00 C ATOM 618 OH TYR A 43 3.624 7.221 3.382 1.00 0.00 O ATOM 0 H TYR A 43 1.637 12.016 4.495 1.00 0.00 H new ATOM 0 HA TYR A 43 3.545 13.742 3.228 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.031 12.604 1.963 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.593 12.883 1.219 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.279 11.717 3.595 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.855 10.261 1.432 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.930 9.387 4.123 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.521 7.935 1.963 1.00 0.00 H new ATOM 0 HH TYR A 43 3.003 6.600 2.948 1.00 0.00 H new ATOM 628 N GLY A 44 0.870 15.084 4.156 1.00 0.00 N ATOM 629 CA GLY A 44 0.105 16.320 4.165 1.00 0.00 C ATOM 630 C GLY A 44 -0.797 16.396 2.943 1.00 0.00 C ATOM 631 O GLY A 44 -1.168 17.483 2.503 1.00 0.00 O ATOM 0 H GLY A 44 0.706 14.473 4.956 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.496 16.376 5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.782 17.174 4.178 1.00 0.00 H new ATOM 635 N LEU A 45 -1.137 15.242 2.392 1.00 0.00 N ATOM 636 CA LEU A 45 -1.988 15.194 1.216 1.00 0.00 C ATOM 637 C LEU A 45 -3.440 15.538 1.556 1.00 0.00 C ATOM 638 O LEU A 45 -3.950 15.169 2.613 1.00 0.00 O ATOM 639 CB LEU A 45 -1.921 13.792 0.593 1.00 0.00 C ATOM 640 CG LEU A 45 -2.747 12.786 1.424 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.672 11.398 0.788 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.185 12.718 2.847 1.00 0.00 C ATOM 0 H LEU A 45 -0.838 14.330 2.739 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.626 15.937 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.299 13.824 -0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.884 13.462 0.539 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.786 13.115 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.257 10.694 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.072 11.440 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.634 11.069 0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.767 12.008 3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.145 12.393 2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.242 13.704 3.308 1.00 0.00 H new ATOM 654 N ASP A 46 -4.105 16.231 0.649 1.00 0.00 N ATOM 655 CA ASP A 46 -5.498 16.598 0.867 1.00 0.00 C ATOM 656 C ASP A 46 -6.398 15.366 0.767 1.00 0.00 C ATOM 657 O ASP A 46 -5.980 14.316 0.278 1.00 0.00 O ATOM 658 CB ASP A 46 -5.933 17.632 -0.167 1.00 0.00 C ATOM 659 CG ASP A 46 -7.329 18.144 0.165 1.00 0.00 C ATOM 660 OD1 ASP A 46 -7.490 18.723 1.227 1.00 0.00 O ATOM 661 OD2 ASP A 46 -8.218 17.947 -0.646 1.00 0.00 O ATOM 0 H ASP A 46 -3.711 16.549 -0.237 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.590 17.023 1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.226 18.462 -0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.926 17.188 -1.163 1.00 0.00 H new ATOM 666 N SER A 47 -7.634 15.502 1.240 1.00 0.00 N ATOM 667 CA SER A 47 -8.588 14.398 1.201 1.00 0.00 C ATOM 668 C SER A 47 -8.869 13.976 -0.238 1.00 0.00 C ATOM 669 O SER A 47 -9.097 12.800 -0.519 1.00 0.00 O ATOM 670 CB SER A 47 -9.895 14.812 1.880 1.00 0.00 C ATOM 671 OG SER A 47 -9.689 14.886 3.285 1.00 0.00 O ATOM 0 H SER A 47 -7.997 16.361 1.653 1.00 0.00 H new ATOM 0 HA SER A 47 -8.154 13.552 1.734 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.227 15.777 1.498 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.681 14.091 1.653 1.00 0.00 H new ATOM 0 HG SER A 47 -10.523 15.153 3.724 1.00 0.00 H new ATOM 677 N VAL A 48 -8.847 14.946 -1.145 1.00 0.00 N ATOM 678 CA VAL A 48 -9.103 14.669 -2.554 1.00 0.00 C ATOM 679 C VAL A 48 -7.952 13.872 -3.156 1.00 0.00 C ATOM 680 O VAL A 48 -8.124 13.167 -4.150 1.00 0.00 O ATOM 681 CB VAL A 48 -9.278 15.981 -3.321 1.00 0.00 C ATOM 682 CG1 VAL A 48 -9.573 15.675 -4.792 1.00 0.00 C ATOM 683 CG2 VAL A 48 -10.444 16.767 -2.720 1.00 0.00 C ATOM 0 H VAL A 48 -8.656 15.925 -0.932 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.018 14.081 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.365 16.571 -3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.698 16.609 -5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.744 15.111 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.488 15.086 -4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.571 17.703 -3.265 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.357 16.177 -2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.236 16.983 -1.672 1.00 0.00 H new ATOM 693 N TYR A 49 -6.776 14.001 -2.558 1.00 0.00 N ATOM 694 CA TYR A 49 -5.603 13.292 -3.055 1.00 0.00 C ATOM 695 C TYR A 49 -5.772 11.782 -2.891 1.00 0.00 C ATOM 696 O TYR A 49 -5.555 11.016 -3.827 1.00 0.00 O ATOM 697 CB TYR A 49 -4.347 13.759 -2.293 1.00 0.00 C ATOM 698 CG TYR A 49 -3.145 13.756 -3.214 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.135 14.584 -4.343 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.050 12.927 -2.945 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.034 14.580 -5.202 1.00 0.00 C ATOM 702 CE2 TYR A 49 -0.948 12.926 -3.801 1.00 0.00 C ATOM 703 CZ TYR A 49 -0.939 13.751 -4.933 1.00 0.00 C ATOM 704 OH TYR A 49 0.146 13.744 -5.785 1.00 0.00 O ATOM 0 H TYR A 49 -6.608 14.583 -1.737 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.490 13.516 -4.116 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.506 14.761 -1.894 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.164 13.103 -1.442 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.979 15.226 -4.550 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.058 12.288 -2.075 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.028 15.217 -6.074 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.102 12.289 -3.591 1.00 0.00 H new ATOM 0 HH TYR A 49 0.819 13.114 -5.452 1.00 0.00 H new ATOM 714 N ALA A 50 -6.151 11.363 -1.690 1.00 0.00 N ATOM 715 CA ALA A 50 -6.325 9.944 -1.410 1.00 0.00 C ATOM 716 C ALA A 50 -7.218 9.303 -2.457 1.00 0.00 C ATOM 717 O ALA A 50 -6.999 8.160 -2.858 1.00 0.00 O ATOM 718 CB ALA A 50 -6.950 9.760 -0.027 1.00 0.00 C ATOM 0 H ALA A 50 -6.342 11.980 -0.901 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.347 9.463 -1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.077 8.697 0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.298 10.198 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.921 10.254 0.002 1.00 0.00 H new ATOM 724 N LEU A 51 -8.225 10.038 -2.898 1.00 0.00 N ATOM 725 CA LEU A 51 -9.146 9.514 -3.892 1.00 0.00 C ATOM 726 C LEU A 51 -8.400 9.071 -5.149 1.00 0.00 C ATOM 727 O LEU A 51 -8.490 7.909 -5.562 1.00 0.00 O ATOM 728 CB LEU A 51 -10.165 10.596 -4.266 1.00 0.00 C ATOM 729 CG LEU A 51 -11.158 10.052 -5.324 1.00 0.00 C ATOM 730 CD1 LEU A 51 -12.581 10.494 -4.975 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.789 10.591 -6.715 1.00 0.00 C ATOM 0 H LEU A 51 -8.424 10.989 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.655 8.650 -3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.709 10.917 -3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.649 11.472 -4.658 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.104 8.963 -5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.275 10.109 -5.722 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.852 10.106 -3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.631 11.583 -4.961 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.491 10.204 -7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.834 11.680 -6.707 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.779 10.272 -6.973 1.00 0.00 H new ATOM 743 N SER A 52 -7.653 9.991 -5.747 1.00 0.00 N ATOM 744 CA SER A 52 -6.897 9.676 -6.950 1.00 0.00 C ATOM 745 C SER A 52 -5.813 8.653 -6.654 1.00 0.00 C ATOM 746 O SER A 52 -5.633 7.691 -7.399 1.00 0.00 O ATOM 747 CB SER A 52 -6.259 10.948 -7.505 1.00 0.00 C ATOM 748 OG SER A 52 -5.603 10.645 -8.730 1.00 0.00 O ATOM 0 H SER A 52 -7.555 10.953 -5.421 1.00 0.00 H new ATOM 0 HA SER A 52 -7.581 9.255 -7.687 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.021 11.711 -7.665 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.546 11.355 -6.788 1.00 0.00 H new ATOM 0 HG SER A 52 -5.193 11.458 -9.091 1.00 0.00 H new ATOM 754 N ILE A 53 -5.088 8.869 -5.568 1.00 0.00 N ATOM 755 CA ILE A 53 -4.013 7.961 -5.194 1.00 0.00 C ATOM 756 C ILE A 53 -4.555 6.567 -4.928 1.00 0.00 C ATOM 757 O ILE A 53 -4.211 5.615 -5.624 1.00 0.00 O ATOM 758 CB ILE A 53 -3.302 8.490 -3.941 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.823 9.937 -4.183 1.00 0.00 C ATOM 760 CG2 ILE A 53 -2.101 7.593 -3.592 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.460 9.944 -4.884 1.00 0.00 C ATOM 0 H ILE A 53 -5.221 9.657 -4.935 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.303 7.904 -6.019 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.003 8.479 -3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.553 10.471 -4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.752 10.466 -3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.605 7.979 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.448 6.577 -3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.398 7.586 -4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.139 10.973 -5.046 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.728 9.430 -4.261 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.542 9.434 -5.844 1.00 0.00 H new ATOM 773 N ALA A 54 -5.420 6.455 -3.928 1.00 0.00 N ATOM 774 CA ALA A 54 -5.995 5.166 -3.581 1.00 0.00 C ATOM 775 C ALA A 54 -6.488 4.447 -4.828 1.00 0.00 C ATOM 776 O ALA A 54 -6.363 3.225 -4.934 1.00 0.00 O ATOM 777 CB ALA A 54 -7.158 5.361 -2.610 1.00 0.00 C ATOM 0 H ALA A 54 -5.735 7.234 -3.349 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.223 4.559 -3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.585 4.391 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.798 5.850 -1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.922 5.982 -3.078 1.00 0.00 H new ATOM 783 N ALA A 55 -7.031 5.214 -5.774 1.00 0.00 N ATOM 784 CA ALA A 55 -7.526 4.635 -7.018 1.00 0.00 C ATOM 785 C ALA A 55 -6.377 4.081 -7.857 1.00 0.00 C ATOM 786 O ALA A 55 -6.460 2.981 -8.393 1.00 0.00 O ATOM 787 CB ALA A 55 -8.280 5.693 -7.820 1.00 0.00 C ATOM 0 H ALA A 55 -7.138 6.226 -5.702 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.200 3.816 -6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.647 5.254 -8.748 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.123 6.061 -7.235 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.610 6.521 -8.051 1.00 0.00 H new ATOM 793 N GLU A 56 -5.305 4.853 -7.976 1.00 0.00 N ATOM 794 CA GLU A 56 -4.154 4.421 -8.762 1.00 0.00 C ATOM 795 C GLU A 56 -3.512 3.171 -8.153 1.00 0.00 C ATOM 796 O GLU A 56 -3.224 2.190 -8.853 1.00 0.00 O ATOM 797 CB GLU A 56 -3.119 5.550 -8.822 1.00 0.00 C ATOM 798 CG GLU A 56 -3.620 6.665 -9.740 1.00 0.00 C ATOM 799 CD GLU A 56 -2.595 7.794 -9.797 1.00 0.00 C ATOM 800 OE1 GLU A 56 -2.651 8.663 -8.941 1.00 0.00 O ATOM 801 OE2 GLU A 56 -1.769 7.773 -10.693 1.00 0.00 O ATOM 0 H GLU A 56 -5.207 5.772 -7.544 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.497 4.178 -9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.939 5.944 -7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.168 5.164 -9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.796 6.272 -10.741 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.574 7.047 -9.375 1.00 0.00 H new ATOM 808 N LEU A 57 -3.293 3.204 -6.846 1.00 0.00 N ATOM 809 CA LEU A 57 -2.681 2.072 -6.168 1.00 0.00 C ATOM 810 C LEU A 57 -3.492 0.813 -6.405 1.00 0.00 C ATOM 811 O LEU A 57 -3.026 -0.093 -7.066 1.00 0.00 O ATOM 812 CB LEU A 57 -2.611 2.358 -4.659 1.00 0.00 C ATOM 813 CG LEU A 57 -1.344 3.157 -4.324 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.494 4.579 -4.832 1.00 0.00 C ATOM 815 CD2 LEU A 57 -1.141 3.169 -2.806 1.00 0.00 C ATOM 0 H LEU A 57 -3.527 3.991 -6.241 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.676 1.924 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.494 2.916 -4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.614 1.420 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.481 2.694 -4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.595 5.147 -4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.640 4.566 -5.912 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.355 5.047 -4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.242 3.736 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.003 3.634 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.033 2.146 -2.445 1.00 0.00 H new ATOM 827 N GLU A 58 -4.706 0.769 -5.878 1.00 0.00 N ATOM 828 CA GLU A 58 -5.543 -0.418 -6.045 1.00 0.00 C ATOM 829 C GLU A 58 -5.686 -0.790 -7.514 1.00 0.00 C ATOM 830 O GLU A 58 -5.751 -1.972 -7.861 1.00 0.00 O ATOM 831 CB GLU A 58 -6.917 -0.168 -5.445 1.00 0.00 C ATOM 832 CG GLU A 58 -7.579 1.054 -6.118 1.00 0.00 C ATOM 833 CD GLU A 58 -8.521 0.613 -7.237 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.234 -0.388 -7.869 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.523 1.280 -7.436 1.00 0.00 O ATOM 0 H GLU A 58 -5.131 1.524 -5.340 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.061 -1.248 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.545 -1.049 -5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.828 0.003 -4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.133 1.628 -5.375 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.811 1.713 -6.522 1.00 0.00 H new ATOM 842 N ASP A 59 -5.735 0.219 -8.373 1.00 0.00 N ATOM 843 CA ASP A 59 -5.869 -0.019 -9.806 1.00 0.00 C ATOM 844 C ASP A 59 -4.705 -0.865 -10.307 1.00 0.00 C ATOM 845 O ASP A 59 -4.836 -1.603 -11.283 1.00 0.00 O ATOM 846 CB ASP A 59 -5.909 1.315 -10.559 1.00 0.00 C ATOM 847 CG ASP A 59 -5.825 1.076 -12.062 1.00 0.00 C ATOM 848 OD1 ASP A 59 -6.453 0.141 -12.527 1.00 0.00 O ATOM 849 OD2 ASP A 59 -5.132 1.832 -12.722 1.00 0.00 O ATOM 0 H ASP A 59 -5.685 1.202 -8.107 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.800 -0.556 -9.988 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.829 1.848 -10.319 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.081 1.947 -10.237 1.00 0.00 H new ATOM 854 N HIS A 60 -3.566 -0.752 -9.632 1.00 0.00 N ATOM 855 CA HIS A 60 -2.390 -1.528 -10.017 1.00 0.00 C ATOM 856 C HIS A 60 -2.512 -2.981 -9.559 1.00 0.00 C ATOM 857 O HIS A 60 -2.070 -3.902 -10.247 1.00 0.00 O ATOM 858 CB HIS A 60 -1.123 -0.906 -9.416 1.00 0.00 C ATOM 859 CG HIS A 60 -0.777 0.343 -10.170 1.00 0.00 C ATOM 860 ND1 HIS A 60 -1.734 1.276 -10.534 1.00 0.00 N ATOM 861 CD2 HIS A 60 0.417 0.824 -10.639 1.00 0.00 C ATOM 862 CE1 HIS A 60 -1.104 2.264 -11.194 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.209 2.038 -11.285 1.00 0.00 N ATOM 0 H HIS A 60 -3.431 -0.140 -8.827 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.323 -1.512 -11.105 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.282 -0.676 -8.362 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.297 -1.615 -9.466 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.733 1.223 -10.337 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.373 0.335 -10.525 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.599 3.133 -11.601 1.00 0.00 H new ATOM 872 N LEU A 61 -3.101 -3.173 -8.385 1.00 0.00 N ATOM 873 CA LEU A 61 -3.258 -4.510 -7.820 1.00 0.00 C ATOM 874 C LEU A 61 -4.454 -5.207 -8.401 1.00 0.00 C ATOM 875 O LEU A 61 -4.460 -6.431 -8.459 1.00 0.00 O ATOM 876 CB LEU A 61 -3.400 -4.455 -6.296 1.00 0.00 C ATOM 877 CG LEU A 61 -2.142 -3.835 -5.670 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.886 -4.594 -6.123 1.00 0.00 C ATOM 879 CD2 LEU A 61 -2.042 -2.368 -6.086 1.00 0.00 C ATOM 0 H LEU A 61 -3.477 -2.423 -7.806 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.359 -5.071 -8.074 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.277 -3.867 -6.026 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.555 -5.459 -5.901 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.213 -3.904 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.004 -4.141 -5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.959 -5.636 -5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.802 -4.544 -7.209 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.150 -1.924 -5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.980 -2.301 -7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.925 -1.831 -5.739 1.00 0.00 H new ATOM 891 N ASP A 62 -5.457 -4.434 -8.818 1.00 0.00 N ATOM 892 CA ASP A 62 -6.684 -4.994 -9.392 1.00 0.00 C ATOM 893 C ASP A 62 -7.685 -5.287 -8.289 1.00 0.00 C ATOM 894 O ASP A 62 -8.106 -6.429 -8.106 1.00 0.00 O ATOM 895 CB ASP A 62 -6.389 -6.277 -10.161 1.00 0.00 C ATOM 896 CG ASP A 62 -5.145 -6.086 -11.029 1.00 0.00 C ATOM 897 OD1 ASP A 62 -5.001 -5.012 -11.590 1.00 0.00 O ATOM 898 OD2 ASP A 62 -4.350 -7.005 -11.107 1.00 0.00 O ATOM 0 H ASP A 62 -5.445 -3.415 -8.769 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.101 -4.261 -10.082 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.235 -7.102 -9.465 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.242 -6.542 -10.785 1.00 0.00 H new ATOM 903 N VAL A 63 -8.055 -4.250 -7.547 1.00 0.00 N ATOM 904 CA VAL A 63 -8.994 -4.402 -6.441 1.00 0.00 C ATOM 905 C VAL A 63 -9.709 -3.090 -6.149 1.00 0.00 C ATOM 906 O VAL A 63 -9.285 -2.032 -6.598 1.00 0.00 O ATOM 907 CB VAL A 63 -8.234 -4.863 -5.185 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.872 -6.339 -5.306 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.941 -4.054 -5.033 1.00 0.00 C ATOM 0 H VAL A 63 -7.721 -3.297 -7.690 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.740 -5.146 -6.720 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.874 -4.709 -4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.334 -6.656 -4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.782 -6.929 -5.411 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.240 -6.488 -6.182 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.407 -4.385 -4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.312 -4.205 -5.910 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.183 -2.995 -4.939 1.00 0.00 H new ATOM 919 N SER A 64 -10.805 -3.166 -5.398 1.00 0.00 N ATOM 920 CA SER A 64 -11.574 -1.973 -5.046 1.00 0.00 C ATOM 921 C SER A 64 -11.437 -1.687 -3.557 1.00 0.00 C ATOM 922 O SER A 64 -11.565 -2.587 -2.727 1.00 0.00 O ATOM 923 CB SER A 64 -13.047 -2.180 -5.390 1.00 0.00 C ATOM 924 OG SER A 64 -13.798 -1.071 -4.913 1.00 0.00 O ATOM 0 H SER A 64 -11.180 -4.037 -5.022 1.00 0.00 H new ATOM 0 HA SER A 64 -11.187 -1.127 -5.614 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.170 -2.281 -6.468 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.412 -3.103 -4.939 1.00 0.00 H new ATOM 0 HG SER A 64 -14.745 -1.198 -5.133 1.00 0.00 H new ATOM 930 N LEU A 65 -11.169 -0.428 -3.223 1.00 0.00 N ATOM 931 CA LEU A 65 -11.002 -0.027 -1.826 1.00 0.00 C ATOM 932 C LEU A 65 -12.268 0.639 -1.311 1.00 0.00 C ATOM 933 O LEU A 65 -13.036 1.211 -2.084 1.00 0.00 O ATOM 934 CB LEU A 65 -9.843 0.955 -1.697 1.00 0.00 C ATOM 935 CG LEU A 65 -8.647 0.455 -2.505 1.00 0.00 C ATOM 936 CD1 LEU A 65 -7.434 1.388 -2.285 1.00 0.00 C ATOM 937 CD2 LEU A 65 -8.302 -0.977 -2.081 1.00 0.00 C ATOM 0 H LEU A 65 -11.063 0.331 -3.896 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.796 -0.921 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.147 1.939 -2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.564 1.067 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.901 0.459 -3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.585 1.024 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.688 2.398 -2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.172 1.401 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.448 -1.332 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.054 -0.992 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.158 -1.627 -2.263 1.00 0.00 H new ATOM 949 N ASP A 66 -12.483 0.561 -0.002 1.00 0.00 N ATOM 950 CA ASP A 66 -13.665 1.166 0.607 1.00 0.00 C ATOM 951 C ASP A 66 -13.327 2.544 1.170 1.00 0.00 C ATOM 952 O ASP A 66 -12.171 2.846 1.437 1.00 0.00 O ATOM 953 CB ASP A 66 -14.202 0.245 1.725 1.00 0.00 C ATOM 954 CG ASP A 66 -15.464 -0.483 1.263 1.00 0.00 C ATOM 955 OD1 ASP A 66 -15.397 -1.153 0.245 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.479 -0.352 1.929 1.00 0.00 O ATOM 0 H ASP A 66 -11.861 0.089 0.654 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.435 1.287 -0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.438 -0.481 2.004 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.421 0.835 2.615 1.00 0.00 H new ATOM 961 N PRO A 67 -14.315 3.376 1.348 1.00 0.00 N ATOM 962 CA PRO A 67 -14.121 4.758 1.880 1.00 0.00 C ATOM 963 C PRO A 67 -13.540 4.767 3.293 1.00 0.00 C ATOM 964 O PRO A 67 -12.366 5.077 3.495 1.00 0.00 O ATOM 965 CB PRO A 67 -15.539 5.358 1.855 1.00 0.00 C ATOM 966 CG PRO A 67 -16.463 4.181 1.839 1.00 0.00 C ATOM 967 CD PRO A 67 -15.731 3.092 1.067 1.00 0.00 C ATOM 0 HA PRO A 67 -13.403 5.326 1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.716 5.986 2.728 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.686 5.986 0.976 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.697 3.853 2.852 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.409 4.432 1.359 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.017 2.096 1.406 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.947 3.140 -0.000 1.00 0.00 H new ATOM 975 N THR A 68 -14.377 4.431 4.266 1.00 0.00 N ATOM 976 CA THR A 68 -13.950 4.415 5.658 1.00 0.00 C ATOM 977 C THR A 68 -12.823 3.412 5.863 1.00 0.00 C ATOM 978 O THR A 68 -12.128 3.440 6.877 1.00 0.00 O ATOM 979 CB THR A 68 -15.129 4.052 6.564 1.00 0.00 C ATOM 980 OG1 THR A 68 -16.194 4.968 6.344 1.00 0.00 O ATOM 981 CG2 THR A 68 -14.691 4.122 8.027 1.00 0.00 C ATOM 0 H THR A 68 -15.351 4.167 4.118 1.00 0.00 H new ATOM 0 HA THR A 68 -13.587 5.410 5.916 1.00 0.00 H new ATOM 0 HB THR A 68 -15.465 3.041 6.335 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.950 4.735 6.922 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.531 3.863 8.671 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.874 3.420 8.196 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.354 5.133 8.258 1.00 0.00 H new ATOM 989 N LEU A 69 -12.650 2.527 4.891 1.00 0.00 N ATOM 990 CA LEU A 69 -11.599 1.523 4.971 1.00 0.00 C ATOM 991 C LEU A 69 -10.223 2.146 4.747 1.00 0.00 C ATOM 992 O LEU A 69 -9.265 1.829 5.446 1.00 0.00 O ATOM 993 CB LEU A 69 -11.853 0.427 3.934 1.00 0.00 C ATOM 994 CG LEU A 69 -10.799 -0.687 4.083 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.323 -1.962 3.419 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.448 -0.274 3.444 1.00 0.00 C ATOM 0 H LEU A 69 -13.218 2.484 4.045 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.614 1.089 5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.853 0.014 4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.811 0.848 2.929 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.624 -0.863 5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.583 -2.756 3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.251 -2.268 3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.509 -1.772 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.726 -1.081 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.594 -0.075 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.073 0.625 3.934 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.132 3.049 3.779 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.863 3.703 3.481 1.00 0.00 C ATOM 1010 C ILE A 70 -8.309 4.385 4.725 1.00 0.00 C ATOM 1011 O ILE A 70 -7.107 4.342 4.985 1.00 0.00 O ATOM 1012 CB ILE A 70 -9.061 4.728 2.355 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.300 3.994 1.027 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.815 5.607 2.229 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.954 4.945 0.020 1.00 0.00 C ATOM 0 H ILE A 70 -10.912 3.343 3.192 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.145 2.950 3.156 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.923 5.353 2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.355 3.623 0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.939 3.126 1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.961 6.332 1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.644 6.133 3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.951 4.983 2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.122 4.420 -0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.908 5.294 0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.299 5.799 -0.153 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.190 5.007 5.492 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.776 5.684 6.712 1.00 0.00 C ATOM 1029 C TRP A 71 -8.585 4.677 7.842 1.00 0.00 C ATOM 1030 O TRP A 71 -8.154 5.038 8.938 1.00 0.00 O ATOM 1031 CB TRP A 71 -9.824 6.723 7.115 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.770 7.879 6.166 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.655 8.109 5.170 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.794 8.959 6.104 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.287 9.262 4.502 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.145 9.823 5.042 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.649 9.271 6.863 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.388 10.957 4.740 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.886 10.410 6.562 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.254 11.251 5.503 1.00 0.00 C ATOM 0 H TRP A 71 -10.189 5.058 5.294 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.826 6.186 6.525 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.818 6.276 7.104 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.640 7.065 8.133 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.510 7.492 4.935 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.796 9.651 3.708 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.356 8.630 7.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.676 11.602 3.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.010 10.640 7.150 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.662 12.125 5.277 1.00 0.00 H new ATOM 1051 N ASP A 72 -8.910 3.412 7.568 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.766 2.353 8.568 1.00 0.00 C ATOM 1053 C ASP A 72 -7.371 1.743 8.507 1.00 0.00 C ATOM 1054 O ASP A 72 -6.796 1.376 9.532 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.808 1.261 8.334 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.833 0.316 9.531 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -9.013 0.495 10.419 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.668 -0.572 9.542 1.00 0.00 O ATOM 0 H ASP A 72 -9.272 3.098 6.668 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.918 2.793 9.553 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.792 1.707 8.189 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.572 0.707 7.425 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.824 1.652 7.293 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.483 1.096 7.092 1.00 0.00 C ATOM 1065 C HIS A 73 -4.569 2.129 6.424 1.00 0.00 C ATOM 1066 O HIS A 73 -3.987 1.867 5.371 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.570 -0.154 6.215 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.660 -1.047 6.729 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.033 -1.071 8.064 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.474 -1.953 6.096 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.031 -1.964 8.188 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.339 -2.531 7.019 1.00 0.00 N ATOM 0 H HIS A 73 -7.287 1.955 6.436 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.065 0.833 8.064 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.772 0.127 5.181 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.617 -0.684 6.221 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.625 -0.514 8.815 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.447 -2.182 5.041 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.524 -2.195 9.121 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.432 3.285 7.021 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.571 4.384 6.486 1.00 0.00 C ATOM 1083 C PRO A 74 -2.087 4.059 6.604 1.00 0.00 C ATOM 1084 O PRO A 74 -1.237 4.846 6.189 1.00 0.00 O ATOM 1085 CB PRO A 74 -3.938 5.589 7.363 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.420 5.002 8.647 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.093 3.683 8.273 1.00 0.00 C ATOM 0 HA PRO A 74 -3.739 4.556 5.423 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.076 6.236 7.524 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.710 6.198 6.893 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.592 4.837 9.337 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.121 5.672 9.145 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.958 2.932 9.051 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.167 3.809 8.134 1.00 0.00 H new ATOM 1095 N THR A 75 -1.785 2.901 7.176 1.00 0.00 N ATOM 1096 CA THR A 75 -0.395 2.476 7.355 1.00 0.00 C ATOM 1097 C THR A 75 -0.095 1.238 6.519 1.00 0.00 C ATOM 1098 O THR A 75 -0.982 0.437 6.224 1.00 0.00 O ATOM 1099 CB THR A 75 -0.134 2.168 8.832 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.185 1.357 9.337 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.067 3.473 9.627 1.00 0.00 C ATOM 0 H THR A 75 -2.478 2.238 7.524 1.00 0.00 H new ATOM 0 HA THR A 75 0.256 3.286 7.026 1.00 0.00 H new ATOM 0 HB THR A 75 0.814 1.639 8.930 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.019 1.157 10.282 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.119 3.250 10.678 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.741 4.094 9.240 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.013 4.006 9.531 1.00 0.00 H new ATOM 1109 N ILE A 76 1.168 1.096 6.140 1.00 0.00 N ATOM 1110 CA ILE A 76 1.590 -0.042 5.334 1.00 0.00 C ATOM 1111 C ILE A 76 1.368 -1.337 6.102 1.00 0.00 C ATOM 1112 O ILE A 76 0.918 -2.330 5.539 1.00 0.00 O ATOM 1113 CB ILE A 76 3.074 0.081 4.963 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.256 1.268 4.001 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.561 -1.213 4.277 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.696 1.312 3.465 1.00 0.00 C ATOM 0 H ILE A 76 1.914 1.750 6.376 1.00 0.00 H new ATOM 0 HA ILE A 76 0.995 -0.054 4.421 1.00 0.00 H new ATOM 0 HB ILE A 76 3.658 0.242 5.869 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.555 1.181 3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.025 2.200 4.517 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.615 -1.113 4.019 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.432 -2.056 4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.980 -1.385 3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.806 2.158 2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.391 1.422 4.298 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.914 0.387 2.930 1.00 0.00 H new ATOM 1128 N ASP A 77 1.701 -1.327 7.382 1.00 0.00 N ATOM 1129 CA ASP A 77 1.547 -2.516 8.205 1.00 0.00 C ATOM 1130 C ASP A 77 0.126 -3.061 8.088 1.00 0.00 C ATOM 1131 O ASP A 77 -0.079 -4.261 7.876 1.00 0.00 O ATOM 1132 CB ASP A 77 1.855 -2.163 9.663 1.00 0.00 C ATOM 1133 CG ASP A 77 3.353 -1.962 9.854 1.00 0.00 C ATOM 1134 OD1 ASP A 77 4.103 -2.346 8.972 1.00 0.00 O ATOM 1135 OD2 ASP A 77 3.728 -1.429 10.886 1.00 0.00 O ATOM 0 H ASP A 77 2.077 -0.515 7.872 1.00 0.00 H new ATOM 0 HA ASP A 77 2.240 -3.284 7.861 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.321 -1.256 9.945 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.501 -2.958 10.319 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.853 -2.174 8.215 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.246 -2.578 8.112 1.00 0.00 C ATOM 1142 C ALA A 78 -2.586 -2.959 6.680 1.00 0.00 C ATOM 1143 O ALA A 78 -3.222 -3.983 6.431 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.158 -1.436 8.569 1.00 0.00 C ATOM 0 H ALA A 78 -0.709 -1.179 8.388 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.402 -3.445 8.754 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.199 -1.748 8.488 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.934 -1.184 9.605 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.991 -0.562 7.939 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.177 -2.118 5.740 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.482 -2.372 4.342 1.00 0.00 C ATOM 1152 C LEU A 79 -1.840 -3.681 3.887 1.00 0.00 C ATOM 1153 O LEU A 79 -2.473 -4.493 3.213 1.00 0.00 O ATOM 1154 CB LEU A 79 -1.966 -1.209 3.474 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.911 -0.961 2.281 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.193 -2.275 1.526 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.240 -0.351 2.788 1.00 0.00 C ATOM 0 H LEU A 79 -1.642 -1.268 5.917 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.563 -2.454 4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.888 -0.305 4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.964 -1.437 3.110 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.429 -0.265 1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.862 -2.077 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.256 -2.688 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.661 -2.990 2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.906 -0.177 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.713 -1.040 3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.038 0.594 3.292 1.00 0.00 H new ATOM 1169 N SER A 80 -0.582 -3.869 4.255 1.00 0.00 N ATOM 1170 CA SER A 80 0.138 -5.073 3.870 1.00 0.00 C ATOM 1171 C SER A 80 -0.570 -6.302 4.419 1.00 0.00 C ATOM 1172 O SER A 80 -0.796 -7.270 3.695 1.00 0.00 O ATOM 1173 CB SER A 80 1.566 -5.014 4.409 1.00 0.00 C ATOM 1174 OG SER A 80 2.246 -3.913 3.820 1.00 0.00 O ATOM 0 H SER A 80 -0.042 -3.209 4.815 1.00 0.00 H new ATOM 0 HA SER A 80 0.166 -5.138 2.782 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.553 -4.910 5.494 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.090 -5.943 4.184 1.00 0.00 H new ATOM 0 HG SER A 80 1.832 -3.076 4.117 1.00 0.00 H new ATOM 1180 N THR A 81 -0.923 -6.252 5.698 1.00 0.00 N ATOM 1181 CA THR A 81 -1.612 -7.370 6.334 1.00 0.00 C ATOM 1182 C THR A 81 -2.908 -7.679 5.584 1.00 0.00 C ATOM 1183 O THR A 81 -3.263 -8.839 5.363 1.00 0.00 O ATOM 1184 CB THR A 81 -1.924 -7.033 7.793 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.710 -6.791 8.491 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.661 -8.207 8.443 1.00 0.00 C ATOM 0 H THR A 81 -0.746 -5.457 6.311 1.00 0.00 H new ATOM 0 HA THR A 81 -0.965 -8.246 6.303 1.00 0.00 H new ATOM 0 HB THR A 81 -2.552 -6.143 7.835 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.525 -5.829 8.501 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.883 -7.966 9.483 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.592 -8.394 7.907 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.034 -9.098 8.403 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.617 -6.632 5.196 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.862 -6.808 4.468 1.00 0.00 C ATOM 1196 C ALA A 82 -4.597 -7.345 3.062 1.00 0.00 C ATOM 1197 O ALA A 82 -5.321 -8.221 2.572 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.600 -5.473 4.369 1.00 0.00 C ATOM 0 H ALA A 82 -3.356 -5.662 5.370 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.475 -7.528 5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.532 -5.612 3.822 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.819 -5.103 5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.976 -4.750 3.844 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.562 -6.814 2.405 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.244 -7.234 1.049 1.00 0.00 C ATOM 1206 C LEU A 83 -2.896 -8.719 1.008 1.00 0.00 C ATOM 1207 O LEU A 83 -3.432 -9.468 0.195 1.00 0.00 O ATOM 1208 CB LEU A 83 -2.057 -6.397 0.519 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.220 -6.153 -0.981 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -1.025 -5.345 -1.495 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.303 -7.498 -1.711 1.00 0.00 C ATOM 0 H LEU A 83 -2.941 -6.102 2.789 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.117 -7.073 0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.007 -5.445 1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.119 -6.918 0.712 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.136 -5.592 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.138 -5.169 -2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.980 -4.389 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.105 -5.901 -1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.419 -7.325 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.390 -8.066 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.159 -8.061 -1.340 1.00 0.00 H new ATOM 1223 N VAL A 84 -1.997 -9.137 1.890 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.595 -10.534 1.936 1.00 0.00 C ATOM 1225 C VAL A 84 -2.795 -11.401 2.292 1.00 0.00 C ATOM 1226 O VAL A 84 -2.898 -12.548 1.853 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.476 -10.728 2.961 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -0.995 -10.402 4.356 1.00 0.00 C ATOM 1229 CG2 VAL A 84 0.019 -12.175 2.920 1.00 0.00 C ATOM 0 H VAL A 84 -1.538 -8.536 2.575 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.221 -10.831 0.956 1.00 0.00 H new ATOM 0 HB VAL A 84 0.351 -10.060 2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.195 -10.541 5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.336 -9.367 4.385 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.826 -11.064 4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.816 -12.308 3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.805 -12.848 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.400 -12.401 1.924 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.705 -10.843 3.090 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.901 -11.577 3.488 1.00 0.00 C ATOM 1241 C ALA A 85 -5.713 -11.958 2.256 1.00 0.00 C ATOM 1242 O ALA A 85 -6.302 -13.040 2.198 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.756 -10.722 4.427 1.00 0.00 C ATOM 0 H ALA A 85 -3.637 -9.898 3.468 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.598 -12.484 4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.646 -11.280 4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.179 -10.470 5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.053 -9.806 3.916 1.00 0.00 H new