USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 474 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 18 MET CE :methyl -120:sc= -0.0278 (180deg=-0.336) USER MOD Set 1.2: A 86 GLN : amide:sc=-0.00995 X(o=-0.038,f=-0.39) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 56:sc= -4.51! USER MOD Single : A 19 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.086) USER MOD Single : A 34 SER OG : rot -35:sc= 1.24 USER MOD Single : A 35 THR OG1 : rot -91:sc= 1.08 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 167:sc= -0.0545 (180deg=-0.631) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0776 USER MOD Single : A 66 SER OG : rot -160:sc= 0 USER MOD Single : A 74 THR OG1 : rot 24:sc= 1.14 USER MOD Single : A 76 GLN : amide:sc= -0.142 K(o=-0.14,f=-1) USER MOD Single : A 88 SER OG : rot 81:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 163 N ARG A 13 -2.491 9.172 -1.167 1.00 20.30 N ATOM 164 CA ARG A 13 -2.520 8.121 -2.188 1.00 2.43 C ATOM 165 C ARG A 13 -1.857 6.834 -1.685 1.00 63.12 C ATOM 166 O ARG A 13 -2.151 5.777 -2.244 1.00 0.13 O ATOM 167 CB ARG A 13 -1.803 8.639 -3.444 1.00 34.14 C ATOM 168 CG ARG A 13 -2.785 9.161 -4.492 1.00 14.52 C ATOM 169 CD ARG A 13 -3.786 10.206 -3.976 1.00 32.03 C ATOM 170 NE ARG A 13 -5.071 9.624 -3.512 1.00 33.32 N ATOM 171 CZ ARG A 13 -5.785 9.961 -2.419 1.00 74.34 C ATOM 172 NH1 ARG A 13 -5.304 10.832 -1.549 1.00 64.25 N ATOM 173 NH2 ARG A 13 -6.991 9.444 -2.190 1.00 15.20 N ATOM 0 HA ARG A 13 -3.557 7.879 -2.422 1.00 2.43 H new ATOM 0 HB2 ARG A 13 -1.114 9.436 -3.165 1.00 34.14 H new ATOM 0 HB3 ARG A 13 -1.205 7.837 -3.876 1.00 34.14 H new ATOM 0 HG2 ARG A 13 -2.218 9.597 -5.315 1.00 14.52 H new ATOM 0 HG3 ARG A 13 -3.341 8.317 -4.900 1.00 14.52 H new ATOM 0 HD2 ARG A 13 -3.330 10.758 -3.154 1.00 32.03 H new ATOM 0 HD3 ARG A 13 -3.989 10.925 -4.770 1.00 32.03 H new ATOM 0 HE ARG A 13 -5.461 8.879 -4.090 1.00 33.32 H new ATOM 0 HH11 ARG A 13 -4.388 11.253 -1.703 1.00 64.25 H new ATOM 0 HH12 ARG A 13 -5.849 11.083 -0.724 1.00 64.25 H new ATOM 0 HH21 ARG A 13 -7.394 8.777 -2.849 1.00 15.20 H new ATOM 0 HH22 ARG A 13 -7.512 9.715 -1.356 1.00 15.20 H new ATOM 184 N THR A 14 -1.008 6.908 -0.659 1.00 44.44 N ATOM 185 CA THR A 14 -0.344 5.790 -0.010 1.00 53.24 C ATOM 186 C THR A 14 -1.375 4.718 0.367 1.00 33.53 C ATOM 187 O THR A 14 -2.447 5.069 0.866 1.00 33.14 O ATOM 188 CB THR A 14 0.411 6.344 1.219 1.00 40.14 C ATOM 189 OG1 THR A 14 1.331 7.362 0.860 1.00 55.25 O ATOM 190 CG2 THR A 14 1.215 5.264 1.938 1.00 15.51 C ATOM 0 H THR A 14 -0.755 7.803 -0.239 1.00 44.44 H new ATOM 0 HA THR A 14 0.373 5.309 -0.676 1.00 53.24 H new ATOM 0 HB THR A 14 -0.367 6.738 1.873 1.00 40.14 H new ATOM 0 HG1 THR A 14 1.788 7.688 1.663 1.00 55.25 H new ATOM 0 HG21 THR A 14 1.728 5.702 2.794 1.00 15.51 H new ATOM 0 HG22 THR A 14 0.543 4.477 2.281 1.00 15.51 H new ATOM 0 HG23 THR A 14 1.949 4.840 1.253 1.00 15.51 H new ATOM 198 N VAL A 15 -1.074 3.427 0.179 1.00 35.41 N ATOM 199 CA VAL A 15 -1.968 2.303 0.460 1.00 2.04 C ATOM 200 C VAL A 15 -1.315 1.378 1.494 1.00 2.01 C ATOM 201 O VAL A 15 -0.238 0.820 1.282 1.00 52.43 O ATOM 202 CB VAL A 15 -2.393 1.538 -0.820 1.00 53.03 C ATOM 203 CG1 VAL A 15 -3.409 2.314 -1.671 1.00 55.15 C ATOM 204 CG2 VAL A 15 -1.204 1.104 -1.687 1.00 14.12 C ATOM 0 H VAL A 15 -0.169 3.129 -0.186 1.00 35.41 H new ATOM 0 HA VAL A 15 -2.893 2.702 0.876 1.00 2.04 H new ATOM 0 HB VAL A 15 -2.881 0.636 -0.450 1.00 53.03 H new ATOM 0 HG11 VAL A 15 -3.668 1.728 -2.553 1.00 55.15 H new ATOM 0 HG12 VAL A 15 -4.308 2.502 -1.083 1.00 55.15 H new ATOM 0 HG13 VAL A 15 -2.973 3.264 -1.982 1.00 55.15 H new ATOM 0 HG21 VAL A 15 -1.569 0.574 -2.567 1.00 14.12 H new ATOM 0 HG22 VAL A 15 -0.642 1.984 -2.001 1.00 14.12 H new ATOM 0 HG23 VAL A 15 -0.555 0.445 -1.110 1.00 14.12 H new ATOM 214 N PHE A 16 -1.963 1.233 2.643 1.00 51.34 N ATOM 215 CA PHE A 16 -1.587 0.303 3.701 1.00 23.31 C ATOM 216 C PHE A 16 -1.826 -1.137 3.232 1.00 61.15 C ATOM 217 O PHE A 16 -2.690 -1.374 2.380 1.00 0.22 O ATOM 218 CB PHE A 16 -2.429 0.626 4.946 1.00 14.00 C ATOM 219 CG PHE A 16 -2.072 -0.137 6.207 1.00 55.05 C ATOM 220 CD1 PHE A 16 -0.815 0.048 6.807 1.00 42.05 C ATOM 221 CD2 PHE A 16 -3.003 -0.999 6.816 1.00 11.30 C ATOM 222 CE1 PHE A 16 -0.480 -0.632 7.990 1.00 3.32 C ATOM 223 CE2 PHE A 16 -2.682 -1.655 8.014 1.00 31.41 C ATOM 224 CZ PHE A 16 -1.421 -1.475 8.600 1.00 73.21 C ATOM 0 H PHE A 16 -2.794 1.779 2.872 1.00 51.34 H new ATOM 0 HA PHE A 16 -0.529 0.403 3.945 1.00 23.31 H new ATOM 0 HB2 PHE A 16 -2.341 1.692 5.153 1.00 14.00 H new ATOM 0 HB3 PHE A 16 -3.476 0.432 4.712 1.00 14.00 H new ATOM 0 HD1 PHE A 16 -0.100 0.719 6.355 1.00 42.05 H new ATOM 0 HD2 PHE A 16 -3.969 -1.156 6.359 1.00 11.30 H new ATOM 0 HE1 PHE A 16 0.499 -0.506 8.428 1.00 3.32 H new ATOM 0 HE2 PHE A 16 -3.408 -2.300 8.486 1.00 31.41 H new ATOM 0 HZ PHE A 16 -1.174 -1.985 9.520 1.00 73.21 H new ATOM 233 N CYS A 17 -1.119 -2.103 3.809 1.00 0.02 N ATOM 234 CA CYS A 17 -1.434 -3.523 3.776 1.00 31.10 C ATOM 235 C CYS A 17 -1.354 -4.059 5.213 1.00 15.14 C ATOM 236 O CYS A 17 -0.667 -3.463 6.042 1.00 34.31 O ATOM 237 CB CYS A 17 -0.478 -4.242 2.810 1.00 61.52 C ATOM 238 SG CYS A 17 1.051 -4.693 3.622 1.00 11.01 S ATOM 0 H CYS A 17 -0.270 -1.905 4.338 1.00 0.02 H new ATOM 0 HA CYS A 17 -2.442 -3.703 3.402 1.00 31.10 H new ATOM 0 HB2 CYS A 17 -0.961 -5.137 2.416 1.00 61.52 H new ATOM 0 HB3 CYS A 17 -0.263 -3.595 1.959 1.00 61.52 H new ATOM 0 HG CYS A 17 0.789 -5.418 4.669 1.00 11.01 H new ATOM 243 N MET A 18 -2.009 -5.191 5.504 1.00 3.32 N ATOM 244 CA MET A 18 -2.084 -5.722 6.870 1.00 3.31 C ATOM 245 C MET A 18 -2.027 -7.255 6.935 1.00 4.33 C ATOM 246 O MET A 18 -2.377 -7.826 7.966 1.00 12.30 O ATOM 247 CB MET A 18 -3.364 -5.181 7.538 1.00 1.03 C ATOM 248 CG MET A 18 -3.314 -5.187 9.077 1.00 33.10 C ATOM 249 SD MET A 18 -4.452 -6.316 9.927 1.00 15.31 S ATOM 250 CE MET A 18 -6.049 -5.660 9.386 1.00 4.04 C ATOM 0 H MET A 18 -2.495 -5.757 4.809 1.00 3.32 H new ATOM 0 HA MET A 18 -1.201 -5.382 7.412 1.00 3.31 H new ATOM 0 HB2 MET A 18 -3.539 -4.162 7.194 1.00 1.03 H new ATOM 0 HB3 MET A 18 -4.214 -5.779 7.209 1.00 1.03 H new ATOM 0 HG2 MET A 18 -2.298 -5.435 9.383 1.00 33.10 H new ATOM 0 HG3 MET A 18 -3.515 -4.175 9.428 1.00 33.10 H new ATOM 0 HE1 MET A 18 -6.626 -5.345 10.255 1.00 4.04 H new ATOM 0 HE2 MET A 18 -5.888 -4.806 8.728 1.00 4.04 H new ATOM 0 HE3 MET A 18 -6.597 -6.434 8.848 1.00 4.04 H new ATOM 258 N GLN A 19 -1.696 -7.949 5.839 1.00 64.54 N ATOM 259 CA GLN A 19 -1.939 -9.388 5.697 1.00 32.11 C ATOM 260 C GLN A 19 -0.781 -10.110 4.994 1.00 54.15 C ATOM 261 O GLN A 19 -0.979 -11.146 4.354 1.00 0.41 O ATOM 262 CB GLN A 19 -3.311 -9.576 5.025 1.00 51.04 C ATOM 263 CG GLN A 19 -3.956 -10.943 5.282 1.00 32.43 C ATOM 264 CD GLN A 19 -5.430 -10.958 4.880 1.00 44.03 C ATOM 265 OE1 GLN A 19 -6.285 -11.315 5.682 1.00 31.42 O ATOM 266 NE2 GLN A 19 -5.757 -10.560 3.659 1.00 52.15 N ATOM 0 H GLN A 19 -1.251 -7.526 5.024 1.00 64.54 H new ATOM 0 HA GLN A 19 -1.974 -9.865 6.676 1.00 32.11 H new ATOM 0 HB2 GLN A 19 -3.986 -8.796 5.379 1.00 51.04 H new ATOM 0 HB3 GLN A 19 -3.198 -9.437 3.950 1.00 51.04 H new ATOM 0 HG2 GLN A 19 -3.419 -11.709 4.723 1.00 32.43 H new ATOM 0 HG3 GLN A 19 -3.864 -11.196 6.338 1.00 32.43 H new ATOM 0 HE21 GLN A 19 -5.030 -10.267 3.006 1.00 52.15 H new ATOM 0 HE22 GLN A 19 -6.736 -10.547 3.372 1.00 52.15 H new ATOM 273 N LEU A 20 0.430 -9.549 5.072 1.00 55.04 N ATOM 274 CA LEU A 20 1.581 -10.085 4.348 1.00 51.21 C ATOM 275 C LEU A 20 1.991 -11.455 4.888 1.00 42.43 C ATOM 276 O LEU A 20 1.576 -11.851 5.980 1.00 53.33 O ATOM 277 CB LEU A 20 2.764 -9.102 4.398 1.00 4.33 C ATOM 278 CG LEU A 20 2.456 -7.726 3.787 1.00 53.24 C ATOM 279 CD1 LEU A 20 3.696 -6.825 3.830 1.00 53.05 C ATOM 280 CD2 LEU A 20 1.972 -7.842 2.336 1.00 40.13 C ATOM 0 H LEU A 20 0.636 -8.722 5.632 1.00 55.04 H new ATOM 0 HA LEU A 20 1.286 -10.214 3.307 1.00 51.21 H new ATOM 0 HB2 LEU A 20 3.069 -8.968 5.436 1.00 4.33 H new ATOM 0 HB3 LEU A 20 3.611 -9.541 3.871 1.00 4.33 H new ATOM 0 HG LEU A 20 1.659 -7.285 4.385 1.00 53.24 H new ATOM 0 HD11 LEU A 20 3.457 -5.856 3.393 1.00 53.05 H new ATOM 0 HD12 LEU A 20 4.011 -6.689 4.865 1.00 53.05 H new ATOM 0 HD13 LEU A 20 4.503 -7.289 3.263 1.00 53.05 H new ATOM 0 HD21 LEU A 20 1.765 -6.847 1.941 1.00 40.13 H new ATOM 0 HD22 LEU A 20 2.744 -8.319 1.732 1.00 40.13 H new ATOM 0 HD23 LEU A 20 1.063 -8.442 2.303 1.00 40.13 H new ATOM 291 N ALA A 21 2.819 -12.163 4.120 1.00 35.20 N ATOM 292 CA ALA A 21 3.329 -13.481 4.454 1.00 34.13 C ATOM 293 C ALA A 21 4.815 -13.393 4.784 1.00 21.23 C ATOM 294 O ALA A 21 5.463 -12.376 4.530 1.00 23.10 O ATOM 295 CB ALA A 21 3.101 -14.428 3.280 1.00 72.53 C ATOM 0 H ALA A 21 3.160 -11.819 3.222 1.00 35.20 H new ATOM 0 HA ALA A 21 2.801 -13.865 5.327 1.00 34.13 H new ATOM 0 HB1 ALA A 21 3.484 -15.417 3.531 1.00 72.53 H new ATOM 0 HB2 ALA A 21 2.034 -14.495 3.068 1.00 72.53 H new ATOM 0 HB3 ALA A 21 3.622 -14.049 2.401 1.00 72.53 H new ATOM 301 N ALA A 22 5.356 -14.486 5.312 1.00 15.00 N ATOM 302 CA ALA A 22 6.704 -14.541 5.850 1.00 21.13 C ATOM 303 C ALA A 22 7.815 -14.504 4.791 1.00 23.50 C ATOM 304 O ALA A 22 8.974 -14.346 5.179 1.00 1.13 O ATOM 305 CB ALA A 22 6.827 -15.805 6.701 1.00 13.20 C ATOM 0 H ALA A 22 4.857 -15.373 5.378 1.00 15.00 H new ATOM 0 HA ALA A 22 6.850 -13.639 6.444 1.00 21.13 H new ATOM 0 HB1 ALA A 22 7.833 -15.868 7.116 1.00 13.20 H new ATOM 0 HB2 ALA A 22 6.101 -15.769 7.513 1.00 13.20 H new ATOM 0 HB3 ALA A 22 6.635 -16.681 6.081 1.00 13.20 H new ATOM 311 N ARG A 23 7.517 -14.658 3.492 1.00 74.45 N ATOM 312 CA ARG A 23 8.550 -14.692 2.448 1.00 35.13 C ATOM 313 C ARG A 23 8.359 -13.631 1.369 1.00 15.25 C ATOM 314 O ARG A 23 8.895 -13.756 0.261 1.00 75.54 O ATOM 315 CB ARG A 23 8.717 -16.122 1.903 1.00 20.24 C ATOM 316 CG ARG A 23 10.194 -16.407 1.598 1.00 15.13 C ATOM 317 CD ARG A 23 11.036 -16.484 2.879 1.00 22.35 C ATOM 318 NE ARG A 23 12.085 -15.451 2.938 1.00 15.01 N ATOM 319 CZ ARG A 23 13.375 -15.619 2.632 1.00 35.22 C ATOM 320 NH1 ARG A 23 13.805 -16.762 2.105 1.00 33.53 N ATOM 321 NH2 ARG A 23 14.243 -14.642 2.850 1.00 20.10 N ATOM 0 H ARG A 23 6.565 -14.761 3.140 1.00 74.45 H new ATOM 0 HA ARG A 23 9.498 -14.415 2.910 1.00 35.13 H new ATOM 0 HB2 ARG A 23 8.344 -16.842 2.631 1.00 20.24 H new ATOM 0 HB3 ARG A 23 8.121 -16.246 0.998 1.00 20.24 H new ATOM 0 HG2 ARG A 23 10.278 -17.346 1.051 1.00 15.13 H new ATOM 0 HG3 ARG A 23 10.589 -15.625 0.950 1.00 15.13 H new ATOM 0 HD2 ARG A 23 10.382 -16.380 3.745 1.00 22.35 H new ATOM 0 HD3 ARG A 23 11.499 -17.469 2.945 1.00 22.35 H new ATOM 0 HE ARG A 23 11.800 -14.520 3.241 1.00 15.01 H new ATOM 0 HH11 ARG A 23 13.148 -17.522 1.930 1.00 33.53 H new ATOM 0 HH12 ARG A 23 14.792 -16.878 1.876 1.00 33.53 H new ATOM 0 HH21 ARG A 23 13.927 -13.759 3.252 1.00 20.10 H new ATOM 0 HH22 ARG A 23 15.227 -14.772 2.616 1.00 20.10 H new ATOM 332 N ILE A 24 7.597 -12.588 1.691 1.00 34.42 N ATOM 333 CA ILE A 24 7.342 -11.460 0.813 1.00 35.21 C ATOM 334 C ILE A 24 8.659 -10.694 0.539 1.00 60.34 C ATOM 335 O ILE A 24 9.642 -10.813 1.282 1.00 0.44 O ATOM 336 CB ILE A 24 6.216 -10.616 1.469 1.00 55.42 C ATOM 337 CG1 ILE A 24 5.498 -9.656 0.500 1.00 44.02 C ATOM 338 CG2 ILE A 24 6.721 -9.839 2.698 1.00 41.34 C ATOM 339 CD1 ILE A 24 4.610 -10.351 -0.534 1.00 33.41 C ATOM 0 H ILE A 24 7.130 -12.507 2.594 1.00 34.42 H new ATOM 0 HA ILE A 24 6.992 -11.764 -0.174 1.00 35.21 H new ATOM 0 HB ILE A 24 5.477 -11.351 1.787 1.00 55.42 H new ATOM 0 HG12 ILE A 24 4.887 -8.964 1.079 1.00 44.02 H new ATOM 0 HG13 ILE A 24 6.246 -9.060 -0.023 1.00 44.02 H new ATOM 0 HG21 ILE A 24 5.901 -9.262 3.126 1.00 41.34 H new ATOM 0 HG22 ILE A 24 7.098 -10.540 3.442 1.00 41.34 H new ATOM 0 HG23 ILE A 24 7.522 -9.163 2.397 1.00 41.34 H new ATOM 0 HD11 ILE A 24 4.143 -9.603 -1.175 1.00 33.41 H new ATOM 0 HD12 ILE A 24 5.217 -11.022 -1.142 1.00 33.41 H new ATOM 0 HD13 ILE A 24 3.837 -10.924 -0.023 1.00 33.41 H new ATOM 350 N ARG A 25 8.670 -9.851 -0.495 1.00 73.53 N ATOM 351 CA ARG A 25 9.640 -8.773 -0.739 1.00 44.21 C ATOM 352 C ARG A 25 8.859 -7.461 -0.823 1.00 72.15 C ATOM 353 O ARG A 25 7.698 -7.510 -1.209 1.00 12.44 O ATOM 354 CB ARG A 25 10.365 -8.991 -2.084 1.00 61.41 C ATOM 355 CG ARG A 25 11.458 -10.063 -2.072 1.00 73.30 C ATOM 356 CD ARG A 25 10.925 -11.487 -2.257 1.00 71.12 C ATOM 357 NE ARG A 25 11.995 -12.475 -2.051 1.00 73.30 N ATOM 358 CZ ARG A 25 12.445 -13.387 -2.919 1.00 74.01 C ATOM 359 NH1 ARG A 25 11.918 -13.538 -4.129 1.00 51.13 N ATOM 360 NH2 ARG A 25 13.455 -14.174 -2.583 1.00 52.32 N ATOM 0 H ARG A 25 7.963 -9.902 -1.229 1.00 73.53 H new ATOM 0 HA ARG A 25 10.378 -8.756 0.063 1.00 44.21 H new ATOM 0 HB2 ARG A 25 9.625 -9.259 -2.838 1.00 61.41 H new ATOM 0 HB3 ARG A 25 10.810 -8.046 -2.396 1.00 61.41 H new ATOM 0 HG2 ARG A 25 12.175 -9.847 -2.864 1.00 73.30 H new ATOM 0 HG3 ARG A 25 11.999 -10.007 -1.128 1.00 73.30 H new ATOM 0 HD2 ARG A 25 10.113 -11.671 -1.553 1.00 71.12 H new ATOM 0 HD3 ARG A 25 10.509 -11.598 -3.259 1.00 71.12 H new ATOM 0 HE ARG A 25 12.448 -12.463 -1.137 1.00 73.30 H new ATOM 0 HH11 ARG A 25 11.142 -12.946 -4.425 1.00 51.13 H new ATOM 0 HH12 ARG A 25 12.290 -14.246 -4.763 1.00 51.13 H new ATOM 0 HH21 ARG A 25 13.888 -14.084 -1.664 1.00 52.32 H new ATOM 0 HH22 ARG A 25 13.800 -14.871 -3.243 1.00 52.32 H new ATOM 371 N PRO A 26 9.454 -6.277 -0.599 1.00 44.41 N ATOM 372 CA PRO A 26 8.752 -5.013 -0.832 1.00 14.31 C ATOM 373 C PRO A 26 8.286 -4.938 -2.290 1.00 12.54 C ATOM 374 O PRO A 26 7.142 -4.587 -2.579 1.00 51.25 O ATOM 375 CB PRO A 26 9.744 -3.908 -0.449 1.00 40.53 C ATOM 376 CG PRO A 26 11.114 -4.583 -0.524 1.00 42.13 C ATOM 377 CD PRO A 26 10.819 -6.039 -0.169 1.00 24.21 C ATOM 0 HA PRO A 26 7.846 -4.910 -0.234 1.00 14.31 H new ATOM 0 HB2 PRO A 26 9.680 -3.062 -1.133 1.00 40.53 H new ATOM 0 HB3 PRO A 26 9.544 -3.524 0.552 1.00 40.53 H new ATOM 0 HG2 PRO A 26 11.551 -4.494 -1.519 1.00 42.13 H new ATOM 0 HG3 PRO A 26 11.820 -4.135 0.175 1.00 42.13 H new ATOM 0 HD2 PRO A 26 11.512 -6.713 -0.673 1.00 24.21 H new ATOM 0 HD3 PRO A 26 10.928 -6.211 0.902 1.00 24.21 H new ATOM 382 N ARG A 27 9.146 -5.361 -3.216 1.00 62.11 N ATOM 383 CA ARG A 27 8.838 -5.403 -4.633 1.00 23.11 C ATOM 384 C ARG A 27 7.658 -6.309 -4.980 1.00 22.03 C ATOM 385 O ARG A 27 6.978 -6.036 -5.961 1.00 44.54 O ATOM 386 CB ARG A 27 10.117 -5.776 -5.392 1.00 73.30 C ATOM 387 CG ARG A 27 9.878 -5.882 -6.901 1.00 61.00 C ATOM 388 CD ARG A 27 11.159 -5.597 -7.663 1.00 4.14 C ATOM 389 NE ARG A 27 11.003 -5.913 -9.083 1.00 11.13 N ATOM 390 CZ ARG A 27 11.869 -5.622 -10.047 1.00 40.41 C ATOM 391 NH1 ARG A 27 13.020 -5.016 -9.762 1.00 60.33 N ATOM 392 NH2 ARG A 27 11.562 -5.972 -11.285 1.00 3.54 N ATOM 0 H ARG A 27 10.087 -5.687 -2.994 1.00 62.11 H new ATOM 0 HA ARG A 27 8.502 -4.414 -4.945 1.00 23.11 H new ATOM 0 HB2 ARG A 27 10.885 -5.027 -5.198 1.00 73.30 H new ATOM 0 HB3 ARG A 27 10.497 -6.727 -5.017 1.00 73.30 H new ATOM 0 HG2 ARG A 27 9.515 -6.879 -7.149 1.00 61.00 H new ATOM 0 HG3 ARG A 27 9.104 -5.177 -7.203 1.00 61.00 H new ATOM 0 HD2 ARG A 27 11.430 -4.547 -7.547 1.00 4.14 H new ATOM 0 HD3 ARG A 27 11.975 -6.185 -7.243 1.00 4.14 H new ATOM 0 HE ARG A 27 10.151 -6.402 -9.358 1.00 11.13 H new ATOM 0 HH11 ARG A 27 13.242 -4.772 -8.797 1.00 60.33 H new ATOM 0 HH12 ARG A 27 13.679 -4.796 -10.509 1.00 60.33 H new ATOM 0 HH21 ARG A 27 10.682 -6.451 -11.476 1.00 3.54 H new ATOM 0 HH22 ARG A 27 12.205 -5.763 -12.048 1.00 3.54 H new ATOM 403 N ASP A 28 7.344 -7.338 -4.187 1.00 32.44 N ATOM 404 CA ASP A 28 6.209 -8.218 -4.492 1.00 23.51 C ATOM 405 C ASP A 28 4.910 -7.415 -4.544 1.00 61.24 C ATOM 406 O ASP A 28 3.976 -7.797 -5.254 1.00 54.04 O ATOM 407 CB ASP A 28 6.073 -9.353 -3.461 1.00 32.45 C ATOM 408 CG ASP A 28 7.074 -10.493 -3.643 1.00 60.14 C ATOM 409 OD1 ASP A 28 7.652 -10.651 -4.745 1.00 12.05 O ATOM 410 OD2 ASP A 28 7.319 -11.242 -2.674 1.00 32.43 O ATOM 0 H ASP A 28 7.853 -7.582 -3.337 1.00 32.44 H new ATOM 0 HA ASP A 28 6.400 -8.666 -5.467 1.00 23.51 H new ATOM 0 HB2 ASP A 28 6.193 -8.936 -2.461 1.00 32.45 H new ATOM 0 HB3 ASP A 28 5.063 -9.760 -3.517 1.00 32.45 H new ATOM 414 N LEU A 29 4.841 -6.307 -3.798 1.00 43.43 N ATOM 415 CA LEU A 29 3.689 -5.425 -3.713 1.00 40.21 C ATOM 416 C LEU A 29 3.717 -4.394 -4.839 1.00 12.34 C ATOM 417 O LEU A 29 2.670 -4.104 -5.415 1.00 63.30 O ATOM 418 CB LEU A 29 3.656 -4.718 -2.344 1.00 22.31 C ATOM 419 CG LEU A 29 3.505 -5.621 -1.098 1.00 52.13 C ATOM 420 CD1 LEU A 29 2.367 -6.625 -1.252 1.00 60.24 C ATOM 421 CD2 LEU A 29 4.778 -6.379 -0.706 1.00 41.45 C ATOM 0 H LEU A 29 5.620 -5.995 -3.218 1.00 43.43 H new ATOM 0 HA LEU A 29 2.787 -6.027 -3.819 1.00 40.21 H new ATOM 0 HB2 LEU A 29 4.575 -4.142 -2.237 1.00 22.31 H new ATOM 0 HB3 LEU A 29 2.831 -4.005 -2.349 1.00 22.31 H new ATOM 0 HG LEU A 29 3.280 -4.919 -0.295 1.00 52.13 H new ATOM 0 HD11 LEU A 29 2.298 -7.238 -0.353 1.00 60.24 H new ATOM 0 HD12 LEU A 29 1.428 -6.091 -1.400 1.00 60.24 H new ATOM 0 HD13 LEU A 29 2.560 -7.265 -2.113 1.00 60.24 H new ATOM 0 HD21 LEU A 29 4.582 -6.987 0.177 1.00 41.45 H new ATOM 0 HD22 LEU A 29 5.086 -7.024 -1.529 1.00 41.45 H new ATOM 0 HD23 LEU A 29 5.573 -5.666 -0.487 1.00 41.45 H new ATOM 432 N GLU A 30 4.887 -3.843 -5.172 1.00 41.13 N ATOM 433 CA GLU A 30 4.976 -2.833 -6.220 1.00 3.44 C ATOM 434 C GLU A 30 4.706 -3.462 -7.593 1.00 53.21 C ATOM 435 O GLU A 30 4.075 -2.825 -8.437 1.00 52.32 O ATOM 436 CB GLU A 30 6.319 -2.084 -6.150 1.00 60.24 C ATOM 437 CG GLU A 30 7.401 -2.636 -7.081 1.00 41.44 C ATOM 438 CD GLU A 30 8.769 -2.016 -6.840 1.00 62.43 C ATOM 439 OE1 GLU A 30 8.997 -0.874 -7.296 1.00 63.13 O ATOM 440 OE2 GLU A 30 9.643 -2.659 -6.224 1.00 4.23 O ATOM 0 H GLU A 30 5.777 -4.079 -4.733 1.00 41.13 H new ATOM 0 HA GLU A 30 4.202 -2.082 -6.061 1.00 3.44 H new ATOM 0 HB2 GLU A 30 6.149 -1.035 -6.393 1.00 60.24 H new ATOM 0 HB3 GLU A 30 6.687 -2.118 -5.125 1.00 60.24 H new ATOM 0 HG2 GLU A 30 7.470 -3.716 -6.948 1.00 41.44 H new ATOM 0 HG3 GLU A 30 7.106 -2.460 -8.115 1.00 41.44 H new ATOM 445 N GLU A 31 5.149 -4.711 -7.793 1.00 42.54 N ATOM 446 CA GLU A 31 4.922 -5.509 -8.990 1.00 40.50 C ATOM 447 C GLU A 31 3.419 -5.647 -9.193 1.00 0.02 C ATOM 448 O GLU A 31 2.917 -5.309 -10.263 1.00 21.43 O ATOM 449 CB GLU A 31 5.559 -6.901 -8.838 1.00 42.31 C ATOM 450 CG GLU A 31 7.085 -6.923 -9.015 1.00 15.11 C ATOM 451 CD GLU A 31 7.575 -6.798 -10.457 1.00 12.35 C ATOM 452 OE1 GLU A 31 6.793 -6.996 -11.415 1.00 54.10 O ATOM 453 OE2 GLU A 31 8.781 -6.529 -10.659 1.00 52.51 O ATOM 0 H GLU A 31 5.698 -5.207 -7.091 1.00 42.54 H new ATOM 0 HA GLU A 31 5.378 -5.020 -9.851 1.00 40.50 H new ATOM 0 HB2 GLU A 31 5.314 -7.293 -7.851 1.00 42.31 H new ATOM 0 HB3 GLU A 31 5.111 -7.574 -9.569 1.00 42.31 H new ATOM 0 HG2 GLU A 31 7.514 -6.109 -8.431 1.00 15.11 H new ATOM 0 HG3 GLU A 31 7.470 -7.853 -8.597 1.00 15.11 H new ATOM 458 N PHE A 32 2.706 -6.081 -8.150 1.00 32.41 N ATOM 459 CA PHE A 32 1.265 -6.268 -8.163 1.00 32.25 C ATOM 460 C PHE A 32 0.567 -5.011 -8.672 1.00 72.34 C ATOM 461 O PHE A 32 -0.161 -5.065 -9.666 1.00 75.33 O ATOM 462 CB PHE A 32 0.796 -6.649 -6.754 1.00 54.34 C ATOM 463 CG PHE A 32 -0.677 -6.976 -6.668 1.00 11.42 C ATOM 464 CD1 PHE A 32 -1.226 -7.898 -7.575 1.00 20.24 C ATOM 465 CD2 PHE A 32 -1.501 -6.372 -5.696 1.00 20.22 C ATOM 466 CE1 PHE A 32 -2.582 -8.221 -7.512 1.00 51.01 C ATOM 467 CE2 PHE A 32 -2.864 -6.716 -5.623 1.00 13.21 C ATOM 468 CZ PHE A 32 -3.406 -7.640 -6.536 1.00 64.43 C ATOM 0 H PHE A 32 3.132 -6.316 -7.254 1.00 32.41 H new ATOM 0 HA PHE A 32 1.003 -7.077 -8.845 1.00 32.25 H new ATOM 0 HB2 PHE A 32 1.370 -7.510 -6.411 1.00 54.34 H new ATOM 0 HB3 PHE A 32 1.016 -5.827 -6.073 1.00 54.34 H new ATOM 0 HD1 PHE A 32 -0.597 -8.358 -8.323 1.00 20.24 H new ATOM 0 HD2 PHE A 32 -1.088 -5.648 -5.010 1.00 20.22 H new ATOM 0 HE1 PHE A 32 -3.000 -8.923 -8.219 1.00 51.01 H new ATOM 0 HE2 PHE A 32 -3.494 -6.271 -4.867 1.00 13.21 H new ATOM 0 HZ PHE A 32 -4.453 -7.901 -6.486 1.00 64.43 H new ATOM 477 N PHE A 33 0.806 -3.875 -8.015 1.00 3.41 N ATOM 478 CA PHE A 33 0.111 -2.654 -8.375 1.00 15.43 C ATOM 479 C PHE A 33 0.585 -2.056 -9.711 1.00 41.12 C ATOM 480 O PHE A 33 -0.167 -1.293 -10.328 1.00 24.25 O ATOM 481 CB PHE A 33 0.210 -1.650 -7.233 1.00 34.34 C ATOM 482 CG PHE A 33 -0.380 -2.066 -5.884 1.00 12.23 C ATOM 483 CD1 PHE A 33 -1.654 -2.667 -5.799 1.00 35.51 C ATOM 484 CD2 PHE A 33 0.317 -1.778 -4.693 1.00 72.13 C ATOM 485 CE1 PHE A 33 -2.228 -2.960 -4.549 1.00 11.11 C ATOM 486 CE2 PHE A 33 -0.255 -2.074 -3.443 1.00 24.53 C ATOM 487 CZ PHE A 33 -1.533 -2.653 -3.368 1.00 60.12 C ATOM 0 H PHE A 33 1.466 -3.782 -7.243 1.00 3.41 H new ATOM 0 HA PHE A 33 -0.937 -2.907 -8.534 1.00 15.43 H new ATOM 0 HB2 PHE A 33 1.263 -1.412 -7.082 1.00 34.34 H new ATOM 0 HB3 PHE A 33 -0.283 -0.730 -7.548 1.00 34.34 H new ATOM 0 HD1 PHE A 33 -2.194 -2.905 -6.704 1.00 35.51 H new ATOM 0 HD2 PHE A 33 1.297 -1.327 -4.741 1.00 72.13 H new ATOM 0 HE1 PHE A 33 -3.203 -3.421 -4.497 1.00 11.11 H new ATOM 0 HE2 PHE A 33 0.290 -1.855 -2.537 1.00 24.53 H new ATOM 0 HZ PHE A 33 -1.979 -2.861 -2.407 1.00 60.12 H new ATOM 496 N SER A 34 1.780 -2.423 -10.196 1.00 43.30 N ATOM 497 CA SER A 34 2.330 -1.932 -11.458 1.00 24.42 C ATOM 498 C SER A 34 1.504 -2.417 -12.653 1.00 41.33 C ATOM 499 O SER A 34 1.585 -1.843 -13.746 1.00 32.43 O ATOM 500 CB SER A 34 3.826 -2.282 -11.615 1.00 3.12 C ATOM 501 OG SER A 34 4.114 -3.645 -11.882 1.00 3.25 O ATOM 0 H SER A 34 2.396 -3.077 -9.713 1.00 43.30 H new ATOM 0 HA SER A 34 2.264 -0.844 -11.435 1.00 24.42 H new ATOM 0 HB2 SER A 34 4.239 -1.678 -12.423 1.00 3.12 H new ATOM 0 HB3 SER A 34 4.346 -1.992 -10.702 1.00 3.12 H new ATOM 0 HG SER A 34 3.478 -4.214 -11.401 1.00 3.25 H new ATOM 506 N THR A 35 0.690 -3.461 -12.455 1.00 32.11 N ATOM 507 CA THR A 35 -0.051 -4.095 -13.540 1.00 64.50 C ATOM 508 C THR A 35 -1.108 -3.161 -14.135 1.00 71.31 C ATOM 509 O THR A 35 -1.636 -3.445 -15.210 1.00 53.04 O ATOM 510 CB THR A 35 -0.649 -5.438 -13.085 1.00 31.45 C ATOM 511 OG1 THR A 35 -1.514 -5.344 -11.971 1.00 12.15 O ATOM 512 CG2 THR A 35 0.418 -6.441 -12.678 1.00 3.35 C ATOM 0 H THR A 35 0.530 -3.885 -11.541 1.00 32.11 H new ATOM 0 HA THR A 35 0.654 -4.307 -14.344 1.00 64.50 H new ATOM 0 HB THR A 35 -1.204 -5.762 -13.966 1.00 31.45 H new ATOM 0 HG1 THR A 35 -1.000 -5.469 -11.146 1.00 12.15 H new ATOM 0 HG21 THR A 35 -0.057 -7.371 -12.366 1.00 3.35 H new ATOM 0 HG22 THR A 35 1.076 -6.636 -13.525 1.00 3.35 H new ATOM 0 HG23 THR A 35 1.002 -6.036 -11.851 1.00 3.35 H new ATOM 520 N VAL A 36 -1.428 -2.066 -13.442 1.00 61.10 N ATOM 521 CA VAL A 36 -2.585 -1.221 -13.737 1.00 52.10 C ATOM 522 C VAL A 36 -2.347 0.248 -13.339 1.00 2.43 C ATOM 523 O VAL A 36 -3.259 1.078 -13.443 1.00 42.02 O ATOM 524 CB VAL A 36 -3.846 -1.829 -13.067 1.00 60.42 C ATOM 525 CG1 VAL A 36 -4.537 -2.877 -13.954 1.00 24.53 C ATOM 526 CG2 VAL A 36 -3.564 -2.515 -11.716 1.00 60.10 C ATOM 0 H VAL A 36 -0.880 -1.737 -12.647 1.00 61.10 H new ATOM 0 HA VAL A 36 -2.746 -1.202 -14.815 1.00 52.10 H new ATOM 0 HB VAL A 36 -4.489 -0.963 -12.911 1.00 60.42 H new ATOM 0 HG11 VAL A 36 -5.413 -3.270 -13.438 1.00 24.53 H new ATOM 0 HG12 VAL A 36 -4.846 -2.414 -14.891 1.00 24.53 H new ATOM 0 HG13 VAL A 36 -3.843 -3.691 -14.163 1.00 24.53 H new ATOM 0 HG21 VAL A 36 -4.493 -2.915 -11.310 1.00 60.10 H new ATOM 0 HG22 VAL A 36 -2.852 -3.328 -11.862 1.00 60.10 H new ATOM 0 HG23 VAL A 36 -3.147 -1.788 -11.019 1.00 60.10 H new ATOM 536 N GLY A 37 -1.141 0.607 -12.898 1.00 64.23 N ATOM 537 CA GLY A 37 -0.798 1.929 -12.395 1.00 72.24 C ATOM 538 C GLY A 37 0.660 1.938 -11.960 1.00 42.51 C ATOM 539 O GLY A 37 1.425 1.092 -12.419 1.00 33.34 O ATOM 0 H GLY A 37 -0.352 -0.040 -12.882 1.00 64.23 H new ATOM 0 HA2 GLY A 37 -0.964 2.679 -13.168 1.00 72.24 H new ATOM 0 HA3 GLY A 37 -1.442 2.190 -11.555 1.00 72.24 H new ATOM 543 N LYS A 38 1.063 2.896 -11.116 1.00 0.54 N ATOM 544 CA LYS A 38 2.451 3.007 -10.675 1.00 13.11 C ATOM 545 C LYS A 38 2.587 3.471 -9.223 1.00 54.34 C ATOM 546 O LYS A 38 1.999 4.466 -8.781 1.00 74.14 O ATOM 547 CB LYS A 38 3.242 3.917 -11.621 1.00 74.30 C ATOM 548 CG LYS A 38 2.579 5.287 -11.836 1.00 15.32 C ATOM 549 CD LYS A 38 3.599 6.353 -12.219 1.00 75.04 C ATOM 550 CE LYS A 38 4.314 6.039 -13.534 1.00 44.32 C ATOM 551 NZ LYS A 38 5.775 6.176 -13.404 1.00 43.32 N ATOM 0 H LYS A 38 0.442 3.605 -10.726 1.00 0.54 H new ATOM 0 HA LYS A 38 2.873 2.003 -10.711 1.00 13.11 H new ATOM 0 HB2 LYS A 38 4.245 4.064 -11.219 1.00 74.30 H new ATOM 0 HB3 LYS A 38 3.354 3.419 -12.584 1.00 74.30 H new ATOM 0 HG2 LYS A 38 1.825 5.207 -12.619 1.00 15.32 H new ATOM 0 HG3 LYS A 38 2.062 5.588 -10.925 1.00 15.32 H new ATOM 0 HD2 LYS A 38 3.097 7.317 -12.304 1.00 75.04 H new ATOM 0 HD3 LYS A 38 4.337 6.447 -11.422 1.00 75.04 H new ATOM 0 HE2 LYS A 38 4.070 5.024 -13.848 1.00 44.32 H new ATOM 0 HE3 LYS A 38 3.953 6.710 -14.314 1.00 44.32 H new ATOM 0 HZ1 LYS A 38 6.227 5.956 -14.314 1.00 43.32 H new ATOM 0 HZ2 LYS A 38 6.009 7.151 -13.128 1.00 43.32 H new ATOM 0 HZ3 LYS A 38 6.122 5.518 -12.677 1.00 43.32 H new ATOM 561 N VAL A 39 3.418 2.742 -8.500 1.00 14.35 N ATOM 562 CA VAL A 39 3.955 3.106 -7.206 1.00 12.20 C ATOM 563 C VAL A 39 4.837 4.355 -7.328 1.00 12.13 C ATOM 564 O VAL A 39 5.421 4.671 -8.371 1.00 31.44 O ATOM 565 CB VAL A 39 4.692 1.871 -6.643 1.00 34.23 C ATOM 566 CG1 VAL A 39 5.634 2.160 -5.478 1.00 12.43 C ATOM 567 CG2 VAL A 39 3.661 0.845 -6.147 1.00 24.31 C ATOM 0 H VAL A 39 3.753 1.833 -8.819 1.00 14.35 H new ATOM 0 HA VAL A 39 3.168 3.379 -6.503 1.00 12.20 H new ATOM 0 HB VAL A 39 5.300 1.503 -7.470 1.00 34.23 H new ATOM 0 HG11 VAL A 39 6.104 1.232 -5.152 1.00 12.43 H new ATOM 0 HG12 VAL A 39 6.403 2.864 -5.797 1.00 12.43 H new ATOM 0 HG13 VAL A 39 5.069 2.590 -4.651 1.00 12.43 H new ATOM 0 HG21 VAL A 39 4.179 -0.028 -5.749 1.00 24.31 H new ATOM 0 HG22 VAL A 39 3.050 1.293 -5.363 1.00 24.31 H new ATOM 0 HG23 VAL A 39 3.022 0.541 -6.976 1.00 24.31 H new ATOM 577 N ARG A 40 4.933 5.066 -6.206 1.00 54.24 N ATOM 578 CA ARG A 40 5.924 6.085 -5.933 1.00 74.03 C ATOM 579 C ARG A 40 7.063 5.436 -5.140 1.00 24.34 C ATOM 580 O ARG A 40 8.197 5.491 -5.608 1.00 53.52 O ATOM 581 CB ARG A 40 5.226 7.261 -5.227 1.00 12.11 C ATOM 582 CG ARG A 40 6.139 8.314 -4.593 1.00 33.12 C ATOM 583 CD ARG A 40 7.055 9.035 -5.589 1.00 71.35 C ATOM 584 NE ARG A 40 8.387 8.420 -5.675 1.00 11.52 N ATOM 585 CZ ARG A 40 9.394 8.597 -4.811 1.00 42.11 C ATOM 586 NH1 ARG A 40 9.271 9.402 -3.761 1.00 11.13 N ATOM 587 NH2 ARG A 40 10.539 7.964 -5.012 1.00 51.32 N ATOM 0 H ARG A 40 4.286 4.934 -5.429 1.00 54.24 H new ATOM 0 HA ARG A 40 6.375 6.501 -6.834 1.00 74.03 H new ATOM 0 HB2 ARG A 40 4.581 7.759 -5.951 1.00 12.11 H new ATOM 0 HB3 ARG A 40 4.579 6.857 -4.449 1.00 12.11 H new ATOM 0 HG2 ARG A 40 5.522 9.054 -4.083 1.00 33.12 H new ATOM 0 HG3 ARG A 40 6.755 7.834 -3.832 1.00 33.12 H new ATOM 0 HD2 ARG A 40 6.591 9.028 -6.575 1.00 71.35 H new ATOM 0 HD3 ARG A 40 7.159 10.079 -5.293 1.00 71.35 H new ATOM 0 HE ARG A 40 8.560 7.801 -6.467 1.00 11.52 H new ATOM 0 HH11 ARG A 40 8.396 9.900 -3.600 1.00 11.13 H new ATOM 0 HH12 ARG A 40 10.052 9.522 -3.116 1.00 11.13 H new ATOM 0 HH21 ARG A 40 10.647 7.349 -5.819 1.00 51.32 H new ATOM 0 HH22 ARG A 40 11.313 8.091 -4.360 1.00 51.32 H new ATOM 598 N ASP A 41 6.801 4.846 -3.970 1.00 14.12 N ATOM 599 CA ASP A 41 7.831 4.294 -3.080 1.00 40.25 C ATOM 600 C ASP A 41 7.211 3.264 -2.134 1.00 34.13 C ATOM 601 O ASP A 41 6.016 3.353 -1.855 1.00 12.34 O ATOM 602 CB ASP A 41 8.421 5.449 -2.271 1.00 23.22 C ATOM 603 CG ASP A 41 9.530 5.043 -1.308 1.00 52.14 C ATOM 604 OD1 ASP A 41 10.343 4.156 -1.660 1.00 0.40 O ATOM 605 OD2 ASP A 41 9.659 5.708 -0.246 1.00 15.10 O ATOM 0 H ASP A 41 5.854 4.736 -3.608 1.00 14.12 H new ATOM 0 HA ASP A 41 8.608 3.800 -3.664 1.00 40.25 H new ATOM 0 HB2 ASP A 41 8.812 6.197 -2.961 1.00 23.22 H new ATOM 0 HB3 ASP A 41 7.621 5.925 -1.704 1.00 23.22 H new ATOM 609 N VAL A 42 7.982 2.304 -1.613 1.00 63.32 N ATOM 610 CA VAL A 42 7.471 1.138 -0.882 1.00 32.20 C ATOM 611 C VAL A 42 8.000 1.178 0.554 1.00 12.52 C ATOM 612 O VAL A 42 9.151 1.559 0.779 1.00 60.23 O ATOM 613 CB VAL A 42 7.882 -0.173 -1.591 1.00 35.20 C ATOM 614 CG1 VAL A 42 7.102 -1.369 -1.025 1.00 33.01 C ATOM 615 CG2 VAL A 42 7.660 -0.157 -3.112 1.00 14.24 C ATOM 0 H VAL A 42 8.999 2.315 -1.689 1.00 63.32 H new ATOM 0 HA VAL A 42 6.382 1.169 -0.861 1.00 32.20 H new ATOM 0 HB VAL A 42 8.951 -0.266 -1.402 1.00 35.20 H new ATOM 0 HG11 VAL A 42 7.408 -2.280 -1.540 1.00 33.01 H new ATOM 0 HG12 VAL A 42 7.309 -1.467 0.041 1.00 33.01 H new ATOM 0 HG13 VAL A 42 6.034 -1.210 -1.174 1.00 33.01 H new ATOM 0 HG21 VAL A 42 7.972 -1.112 -3.535 1.00 14.24 H new ATOM 0 HG22 VAL A 42 6.603 0.005 -3.324 1.00 14.24 H new ATOM 0 HG23 VAL A 42 8.247 0.647 -3.557 1.00 14.24 H new ATOM 625 N ARG A 43 7.163 0.812 1.534 1.00 1.40 N ATOM 626 CA ARG A 43 7.450 0.942 2.959 1.00 40.34 C ATOM 627 C ARG A 43 6.889 -0.267 3.716 1.00 51.41 C ATOM 628 O ARG A 43 5.905 -0.129 4.443 1.00 62.12 O ATOM 629 CB ARG A 43 6.867 2.268 3.505 1.00 40.25 C ATOM 630 CG ARG A 43 7.241 3.501 2.676 1.00 35.32 C ATOM 631 CD ARG A 43 6.840 4.798 3.376 1.00 40.55 C ATOM 632 NE ARG A 43 7.593 5.905 2.780 1.00 20.10 N ATOM 633 CZ ARG A 43 8.708 6.443 3.267 1.00 63.34 C ATOM 634 NH1 ARG A 43 8.898 6.529 4.582 1.00 40.24 N ATOM 635 NH2 ARG A 43 9.627 6.878 2.415 1.00 60.35 N ATOM 0 H ARG A 43 6.245 0.408 1.347 1.00 1.40 H new ATOM 0 HA ARG A 43 8.529 0.966 3.108 1.00 40.34 H new ATOM 0 HB2 ARG A 43 5.781 2.186 3.546 1.00 40.25 H new ATOM 0 HB3 ARG A 43 7.214 2.412 4.528 1.00 40.25 H new ATOM 0 HG2 ARG A 43 8.316 3.504 2.493 1.00 35.32 H new ATOM 0 HG3 ARG A 43 6.752 3.447 1.703 1.00 35.32 H new ATOM 0 HD2 ARG A 43 5.769 4.969 3.270 1.00 40.55 H new ATOM 0 HD3 ARG A 43 7.048 4.731 4.444 1.00 40.55 H new ATOM 0 HE ARG A 43 7.229 6.299 1.912 1.00 20.10 H new ATOM 0 HH11 ARG A 43 8.186 6.181 5.224 1.00 40.24 H new ATOM 0 HH12 ARG A 43 9.756 6.943 4.947 1.00 40.24 H new ATOM 0 HH21 ARG A 43 9.471 6.796 1.410 1.00 60.35 H new ATOM 0 HH22 ARG A 43 10.490 7.294 2.764 1.00 60.35 H new ATOM 646 N MET A 44 7.492 -1.452 3.570 1.00 24.33 N ATOM 647 CA MET A 44 7.220 -2.527 4.528 1.00 52.15 C ATOM 648 C MET A 44 7.764 -2.123 5.894 1.00 35.31 C ATOM 649 O MET A 44 8.676 -1.293 5.986 1.00 12.54 O ATOM 650 CB MET A 44 7.795 -3.884 4.099 1.00 41.25 C ATOM 651 CG MET A 44 9.310 -3.926 3.865 1.00 15.33 C ATOM 652 SD MET A 44 10.010 -5.601 3.780 1.00 14.23 S ATOM 653 CE MET A 44 8.758 -6.473 2.795 1.00 60.52 C ATOM 0 H MET A 44 8.149 -1.686 2.825 1.00 24.33 H new ATOM 0 HA MET A 44 6.139 -2.662 4.572 1.00 52.15 H new ATOM 0 HB2 MET A 44 7.544 -4.621 4.862 1.00 41.25 H new ATOM 0 HB3 MET A 44 7.296 -4.194 3.181 1.00 41.25 H new ATOM 0 HG2 MET A 44 9.537 -3.403 2.936 1.00 15.33 H new ATOM 0 HG3 MET A 44 9.805 -3.379 4.667 1.00 15.33 H new ATOM 0 HE1 MET A 44 9.156 -7.434 2.468 1.00 60.52 H new ATOM 0 HE2 MET A 44 7.867 -6.637 3.401 1.00 60.52 H new ATOM 0 HE3 MET A 44 8.498 -5.873 1.923 1.00 60.52 H new ATOM 661 N ILE A 45 7.250 -2.726 6.961 1.00 0.20 N ATOM 662 CA ILE A 45 7.776 -2.528 8.301 1.00 20.34 C ATOM 663 C ILE A 45 8.712 -3.703 8.593 1.00 22.50 C ATOM 664 O ILE A 45 8.388 -4.850 8.276 1.00 0.21 O ATOM 665 CB ILE A 45 6.603 -2.348 9.294 1.00 40.14 C ATOM 666 CG1 ILE A 45 5.963 -0.946 9.162 1.00 11.32 C ATOM 667 CG2 ILE A 45 7.053 -2.523 10.756 1.00 62.13 C ATOM 668 CD1 ILE A 45 5.021 -0.753 7.974 1.00 14.31 C ATOM 0 H ILE A 45 6.457 -3.366 6.918 1.00 0.20 H new ATOM 0 HA ILE A 45 8.364 -1.616 8.405 1.00 20.34 H new ATOM 0 HB ILE A 45 5.877 -3.120 9.040 1.00 40.14 H new ATOM 0 HG12 ILE A 45 5.411 -0.732 10.077 1.00 11.32 H new ATOM 0 HG13 ILE A 45 6.762 -0.208 9.091 1.00 11.32 H new ATOM 0 HG21 ILE A 45 6.198 -2.388 11.418 1.00 62.13 H new ATOM 0 HG22 ILE A 45 7.464 -3.523 10.893 1.00 62.13 H new ATOM 0 HG23 ILE A 45 7.816 -1.782 10.993 1.00 62.13 H new ATOM 0 HD11 ILE A 45 4.631 0.265 7.980 1.00 14.31 H new ATOM 0 HD12 ILE A 45 5.565 -0.927 7.046 1.00 14.31 H new ATOM 0 HD13 ILE A 45 4.194 -1.459 8.047 1.00 14.31 H new ATOM 814 N GLY A 55 2.515 -8.493 9.863 1.00 60.53 N ATOM 815 CA GLY A 55 2.956 -8.337 8.477 1.00 12.44 C ATOM 816 C GLY A 55 2.245 -7.173 7.790 1.00 4.33 C ATOM 817 O GLY A 55 1.153 -7.345 7.243 1.00 11.42 O ATOM 0 HA2 GLY A 55 4.033 -8.171 8.453 1.00 12.44 H new ATOM 0 HA3 GLY A 55 2.763 -9.258 7.927 1.00 12.44 H new ATOM 821 N ILE A 56 2.860 -5.988 7.835 1.00 73.23 N ATOM 822 CA ILE A 56 2.281 -4.699 7.456 1.00 72.34 C ATOM 823 C ILE A 56 3.230 -3.915 6.541 1.00 42.12 C ATOM 824 O ILE A 56 4.454 -4.060 6.624 1.00 52.45 O ATOM 825 CB ILE A 56 1.950 -3.873 8.727 1.00 0.44 C ATOM 826 CG1 ILE A 56 3.025 -3.972 9.830 1.00 15.00 C ATOM 827 CG2 ILE A 56 0.583 -4.282 9.296 1.00 14.33 C ATOM 828 CD1 ILE A 56 3.019 -2.763 10.775 1.00 23.21 C ATOM 0 H ILE A 56 3.825 -5.899 8.153 1.00 73.23 H new ATOM 0 HA ILE A 56 1.361 -4.886 6.903 1.00 72.34 H new ATOM 0 HB ILE A 56 1.926 -2.832 8.406 1.00 0.44 H new ATOM 0 HG12 ILE A 56 2.862 -4.881 10.409 1.00 15.00 H new ATOM 0 HG13 ILE A 56 4.008 -4.061 9.367 1.00 15.00 H new ATOM 0 HG21 ILE A 56 0.368 -3.692 10.187 1.00 14.33 H new ATOM 0 HG22 ILE A 56 -0.190 -4.105 8.548 1.00 14.33 H new ATOM 0 HG23 ILE A 56 0.599 -5.340 9.557 1.00 14.33 H new ATOM 0 HD11 ILE A 56 3.795 -2.887 11.530 1.00 23.21 H new ATOM 0 HD12 ILE A 56 3.210 -1.854 10.204 1.00 23.21 H new ATOM 0 HD13 ILE A 56 2.047 -2.687 11.263 1.00 23.21 H new ATOM 839 N ALA A 57 2.663 -3.031 5.715 1.00 32.33 N ATOM 840 CA ALA A 57 3.356 -2.073 4.864 1.00 33.34 C ATOM 841 C ALA A 57 2.465 -0.858 4.646 1.00 21.50 C ATOM 842 O ALA A 57 1.249 -0.926 4.815 1.00 4.01 O ATOM 843 CB ALA A 57 3.650 -2.660 3.468 1.00 42.14 C ATOM 0 H ALA A 57 1.650 -2.965 5.621 1.00 32.33 H new ATOM 0 HA ALA A 57 4.291 -1.815 5.362 1.00 33.34 H new ATOM 0 HB1 ALA A 57 4.167 -1.916 2.862 1.00 42.14 H new ATOM 0 HB2 ALA A 57 4.278 -3.545 3.570 1.00 42.14 H new ATOM 0 HB3 ALA A 57 2.713 -2.934 2.984 1.00 42.14 H new ATOM 849 N TYR A 58 3.062 0.210 4.139 1.00 15.43 N ATOM 850 CA TYR A 58 2.425 1.277 3.387 1.00 32.32 C ATOM 851 C TYR A 58 3.194 1.337 2.060 1.00 54.31 C ATOM 852 O TYR A 58 4.368 0.963 1.992 1.00 4.34 O ATOM 853 CB TYR A 58 2.484 2.608 4.174 1.00 32.42 C ATOM 854 CG TYR A 58 1.966 2.604 5.610 1.00 75.41 C ATOM 855 CD1 TYR A 58 2.638 1.869 6.607 1.00 24.43 C ATOM 856 CD2 TYR A 58 0.843 3.378 5.971 1.00 35.33 C ATOM 857 CE1 TYR A 58 2.155 1.837 7.924 1.00 11.30 C ATOM 858 CE2 TYR A 58 0.387 3.401 7.304 1.00 61.34 C ATOM 859 CZ TYR A 58 1.036 2.619 8.287 1.00 64.25 C ATOM 860 OH TYR A 58 0.618 2.616 9.586 1.00 1.24 O ATOM 0 H TYR A 58 4.064 0.363 4.249 1.00 15.43 H new ATOM 0 HA TYR A 58 1.364 1.098 3.211 1.00 32.32 H new ATOM 0 HB2 TYR A 58 3.521 2.942 4.192 1.00 32.42 H new ATOM 0 HB3 TYR A 58 1.919 3.354 3.615 1.00 32.42 H new ATOM 0 HD1 TYR A 58 3.535 1.324 6.354 1.00 24.43 H new ATOM 0 HD2 TYR A 58 0.328 3.958 5.219 1.00 35.33 H new ATOM 0 HE1 TYR A 58 2.639 1.214 8.661 1.00 11.30 H new ATOM 0 HE2 TYR A 58 -0.458 4.016 7.575 1.00 61.34 H new ATOM 0 HH TYR A 58 -0.161 3.203 9.680 1.00 1.24 H new ATOM 869 N VAL A 59 2.561 1.779 0.981 1.00 2.02 N ATOM 870 CA VAL A 59 3.214 1.973 -0.303 1.00 23.34 C ATOM 871 C VAL A 59 2.601 3.186 -0.992 1.00 52.41 C ATOM 872 O VAL A 59 1.392 3.238 -1.199 1.00 53.54 O ATOM 873 CB VAL A 59 3.374 0.625 -1.043 1.00 55.14 C ATOM 874 CG1 VAL A 59 2.165 -0.304 -1.016 1.00 21.52 C ATOM 875 CG2 VAL A 59 3.811 0.771 -2.506 1.00 35.12 C ATOM 0 H VAL A 59 1.569 2.015 0.975 1.00 2.02 H new ATOM 0 HA VAL A 59 4.262 2.266 -0.237 1.00 23.34 H new ATOM 0 HB VAL A 59 4.164 0.162 -0.452 1.00 55.14 H new ATOM 0 HG11 VAL A 59 2.395 -1.216 -1.566 1.00 21.52 H new ATOM 0 HG12 VAL A 59 1.922 -0.555 0.017 1.00 21.52 H new ATOM 0 HG13 VAL A 59 1.313 0.194 -1.479 1.00 21.52 H new ATOM 0 HG21 VAL A 59 3.902 -0.216 -2.959 1.00 35.12 H new ATOM 0 HG22 VAL A 59 3.068 1.353 -3.051 1.00 35.12 H new ATOM 0 HG23 VAL A 59 4.774 1.280 -2.549 1.00 35.12 H new ATOM 885 N GLU A 60 3.424 4.220 -1.174 1.00 74.11 N ATOM 886 CA GLU A 60 3.077 5.508 -1.753 1.00 41.55 C ATOM 887 C GLU A 60 2.655 5.239 -3.201 1.00 64.12 C ATOM 888 O GLU A 60 3.386 4.553 -3.927 1.00 62.23 O ATOM 889 CB GLU A 60 4.301 6.449 -1.709 1.00 44.11 C ATOM 890 CG GLU A 60 4.824 6.785 -0.299 1.00 22.41 C ATOM 891 CD GLU A 60 6.142 7.579 -0.304 1.00 33.30 C ATOM 892 OE1 GLU A 60 6.498 8.245 -1.303 1.00 34.23 O ATOM 893 OE2 GLU A 60 6.906 7.499 0.683 1.00 71.13 O ATOM 0 H GLU A 60 4.406 4.173 -0.904 1.00 74.11 H new ATOM 0 HA GLU A 60 2.271 5.990 -1.200 1.00 41.55 H new ATOM 0 HB2 GLU A 60 5.110 5.992 -2.279 1.00 44.11 H new ATOM 0 HB3 GLU A 60 4.041 7.380 -2.213 1.00 44.11 H new ATOM 0 HG2 GLU A 60 4.066 7.359 0.233 1.00 22.41 H new ATOM 0 HG3 GLU A 60 4.970 5.858 0.256 1.00 22.41 H new ATOM 898 N PHE A 61 1.523 5.786 -3.650 1.00 20.01 N ATOM 899 CA PHE A 61 1.145 5.761 -5.055 1.00 13.44 C ATOM 900 C PHE A 61 1.238 7.146 -5.668 1.00 24.00 C ATOM 901 O PHE A 61 1.136 8.164 -4.980 1.00 31.10 O ATOM 902 CB PHE A 61 -0.264 5.183 -5.225 1.00 54.33 C ATOM 903 CG PHE A 61 -0.269 4.059 -6.230 1.00 33.31 C ATOM 904 CD1 PHE A 61 0.343 2.848 -5.868 1.00 0.33 C ATOM 905 CD2 PHE A 61 -0.845 4.216 -7.506 1.00 31.24 C ATOM 906 CE1 PHE A 61 0.388 1.794 -6.793 1.00 35.24 C ATOM 907 CE2 PHE A 61 -0.814 3.149 -8.418 1.00 60.00 C ATOM 908 CZ PHE A 61 -0.182 1.943 -8.070 1.00 73.23 C ATOM 0 H PHE A 61 0.848 6.256 -3.047 1.00 20.01 H new ATOM 0 HA PHE A 61 1.846 5.114 -5.583 1.00 13.44 H new ATOM 0 HB2 PHE A 61 -0.630 4.819 -4.265 1.00 54.33 H new ATOM 0 HB3 PHE A 61 -0.947 5.969 -5.549 1.00 54.33 H new ATOM 0 HD1 PHE A 61 0.776 2.729 -4.886 1.00 0.33 H new ATOM 0 HD2 PHE A 61 -1.308 5.152 -7.781 1.00 31.24 H new ATOM 0 HE1 PHE A 61 0.863 0.863 -6.523 1.00 35.24 H new ATOM 0 HE2 PHE A 61 -1.276 3.255 -9.388 1.00 60.00 H new ATOM 0 HZ PHE A 61 -0.134 1.132 -8.782 1.00 73.23 H new ATOM 917 N VAL A 62 1.402 7.184 -6.986 1.00 63.31 N ATOM 918 CA VAL A 62 1.453 8.439 -7.722 1.00 52.55 C ATOM 919 C VAL A 62 0.020 8.924 -8.009 1.00 33.42 C ATOM 920 O VAL A 62 -0.230 10.123 -8.162 1.00 14.40 O ATOM 921 CB VAL A 62 2.286 8.215 -9.003 1.00 43.42 C ATOM 922 CG1 VAL A 62 2.461 9.511 -9.808 1.00 20.31 C ATOM 923 CG2 VAL A 62 3.683 7.664 -8.653 1.00 0.20 C ATOM 0 H VAL A 62 1.502 6.353 -7.569 1.00 63.31 H new ATOM 0 HA VAL A 62 1.937 9.225 -7.142 1.00 52.55 H new ATOM 0 HB VAL A 62 1.738 7.495 -9.610 1.00 43.42 H new ATOM 0 HG11 VAL A 62 3.053 9.308 -10.701 1.00 20.31 H new ATOM 0 HG12 VAL A 62 1.483 9.893 -10.100 1.00 20.31 H new ATOM 0 HG13 VAL A 62 2.972 10.254 -9.195 1.00 20.31 H new ATOM 0 HG21 VAL A 62 4.254 7.513 -9.569 1.00 0.20 H new ATOM 0 HG22 VAL A 62 4.205 8.375 -8.013 1.00 0.20 H new ATOM 0 HG23 VAL A 62 3.579 6.714 -8.130 1.00 0.20 H new ATOM 933 N ASP A 63 -0.954 8.007 -8.047 1.00 2.41 N ATOM 934 CA ASP A 63 -2.260 8.254 -8.635 1.00 51.31 C ATOM 935 C ASP A 63 -3.358 7.817 -7.684 1.00 22.40 C ATOM 936 O ASP A 63 -3.338 6.717 -7.123 1.00 1.42 O ATOM 937 CB ASP A 63 -2.363 7.554 -9.999 1.00 12.42 C ATOM 938 CG ASP A 63 -1.799 8.423 -11.126 1.00 40.44 C ATOM 939 OD1 ASP A 63 -0.576 8.388 -11.359 1.00 73.13 O ATOM 940 OD2 ASP A 63 -2.581 9.192 -11.737 1.00 22.42 O ATOM 0 H ASP A 63 -0.849 7.067 -7.665 1.00 2.41 H new ATOM 0 HA ASP A 63 -2.386 9.324 -8.803 1.00 51.31 H new ATOM 0 HB2 ASP A 63 -1.823 6.608 -9.964 1.00 12.42 H new ATOM 0 HB3 ASP A 63 -3.406 7.318 -10.209 1.00 12.42 H new ATOM 944 N VAL A 64 -4.325 8.719 -7.510 1.00 60.35 N ATOM 945 CA VAL A 64 -5.529 8.537 -6.713 1.00 40.04 C ATOM 946 C VAL A 64 -6.403 7.426 -7.304 1.00 12.12 C ATOM 947 O VAL A 64 -7.058 6.706 -6.556 1.00 43.25 O ATOM 948 CB VAL A 64 -6.250 9.908 -6.630 1.00 60.34 C ATOM 949 CG1 VAL A 64 -6.482 10.580 -7.989 1.00 55.15 C ATOM 950 CG2 VAL A 64 -7.546 9.868 -5.823 1.00 14.01 C ATOM 0 H VAL A 64 -4.283 9.641 -7.945 1.00 60.35 H new ATOM 0 HA VAL A 64 -5.290 8.211 -5.701 1.00 40.04 H new ATOM 0 HB VAL A 64 -5.542 10.533 -6.086 1.00 60.34 H new ATOM 0 HG11 VAL A 64 -6.991 11.533 -7.842 1.00 55.15 H new ATOM 0 HG12 VAL A 64 -5.523 10.752 -8.478 1.00 55.15 H new ATOM 0 HG13 VAL A 64 -7.097 9.933 -8.614 1.00 55.15 H new ATOM 0 HG21 VAL A 64 -7.996 10.861 -5.807 1.00 14.01 H new ATOM 0 HG22 VAL A 64 -8.239 9.163 -6.282 1.00 14.01 H new ATOM 0 HG23 VAL A 64 -7.330 9.552 -4.803 1.00 14.01 H new ATOM 960 N SER A 65 -6.378 7.258 -8.625 1.00 21.33 N ATOM 961 CA SER A 65 -7.282 6.411 -9.382 1.00 62.41 C ATOM 962 C SER A 65 -7.135 4.944 -8.965 1.00 35.14 C ATOM 963 O SER A 65 -8.133 4.246 -8.792 1.00 63.54 O ATOM 964 CB SER A 65 -7.000 6.622 -10.880 1.00 41.03 C ATOM 965 OG SER A 65 -6.516 7.942 -11.139 1.00 51.32 O ATOM 0 H SER A 65 -5.696 7.731 -9.217 1.00 21.33 H new ATOM 0 HA SER A 65 -8.317 6.683 -9.176 1.00 62.41 H new ATOM 0 HB2 SER A 65 -6.267 5.891 -11.220 1.00 41.03 H new ATOM 0 HB3 SER A 65 -7.912 6.449 -11.451 1.00 41.03 H new ATOM 0 HG SER A 65 -6.344 8.045 -12.098 1.00 51.32 H new ATOM 970 N SER A 66 -5.901 4.470 -8.758 1.00 20.15 N ATOM 971 CA SER A 66 -5.673 3.096 -8.339 1.00 60.33 C ATOM 972 C SER A 66 -5.917 2.867 -6.839 1.00 44.14 C ATOM 973 O SER A 66 -5.868 1.723 -6.403 1.00 15.44 O ATOM 974 CB SER A 66 -4.263 2.641 -8.701 1.00 55.34 C ATOM 975 OG SER A 66 -3.987 2.696 -10.091 1.00 53.24 O ATOM 0 H SER A 66 -5.051 5.022 -8.875 1.00 20.15 H new ATOM 0 HA SER A 66 -6.405 2.498 -8.881 1.00 60.33 H new ATOM 0 HB2 SER A 66 -3.542 3.264 -8.171 1.00 55.34 H new ATOM 0 HB3 SER A 66 -4.119 1.619 -8.351 1.00 55.34 H new ATOM 0 HG SER A 66 -3.224 2.116 -10.296 1.00 53.24 H new ATOM 980 N VAL A 67 -6.195 3.893 -6.025 1.00 1.42 N ATOM 981 CA VAL A 67 -6.432 3.681 -4.596 1.00 4.10 C ATOM 982 C VAL A 67 -7.637 2.740 -4.407 1.00 73.24 C ATOM 983 O VAL A 67 -7.477 1.674 -3.804 1.00 63.32 O ATOM 984 CB VAL A 67 -6.545 5.020 -3.837 1.00 2.31 C ATOM 985 CG1 VAL A 67 -6.988 4.773 -2.397 1.00 62.11 C ATOM 986 CG2 VAL A 67 -5.216 5.800 -3.846 1.00 4.40 C ATOM 0 H VAL A 67 -6.260 4.865 -6.328 1.00 1.42 H new ATOM 0 HA VAL A 67 -5.572 3.183 -4.148 1.00 4.10 H new ATOM 0 HB VAL A 67 -7.291 5.625 -4.352 1.00 2.31 H new ATOM 0 HG11 VAL A 67 -7.064 5.725 -1.871 1.00 62.11 H new ATOM 0 HG12 VAL A 67 -7.959 4.279 -2.395 1.00 62.11 H new ATOM 0 HG13 VAL A 67 -6.257 4.139 -1.895 1.00 62.11 H new ATOM 0 HG21 VAL A 67 -5.340 6.736 -3.301 1.00 4.40 H new ATOM 0 HG22 VAL A 67 -4.440 5.202 -3.369 1.00 4.40 H new ATOM 0 HG23 VAL A 67 -4.927 6.015 -4.875 1.00 4.40 H new ATOM 996 N PRO A 68 -8.833 3.043 -4.944 1.00 0.31 N ATOM 997 CA PRO A 68 -9.928 2.093 -4.907 1.00 44.34 C ATOM 998 C PRO A 68 -9.671 0.861 -5.777 1.00 43.02 C ATOM 999 O PRO A 68 -10.366 -0.138 -5.592 1.00 42.00 O ATOM 1000 CB PRO A 68 -11.173 2.864 -5.338 1.00 21.34 C ATOM 1001 CG PRO A 68 -10.605 3.983 -6.202 1.00 52.43 C ATOM 1002 CD PRO A 68 -9.270 4.292 -5.545 1.00 24.34 C ATOM 0 HA PRO A 68 -10.051 1.686 -3.903 1.00 44.34 H new ATOM 0 HB2 PRO A 68 -11.864 2.234 -5.898 1.00 21.34 H new ATOM 0 HB3 PRO A 68 -11.722 3.255 -4.481 1.00 21.34 H new ATOM 0 HG2 PRO A 68 -10.480 3.667 -7.238 1.00 52.43 H new ATOM 0 HG3 PRO A 68 -11.259 4.855 -6.212 1.00 52.43 H new ATOM 0 HD2 PRO A 68 -8.546 4.649 -6.277 1.00 24.34 H new ATOM 0 HD3 PRO A 68 -9.375 5.074 -4.793 1.00 24.34 H new ATOM 1007 N LEU A 69 -8.703 0.859 -6.702 1.00 41.21 N ATOM 1008 CA LEU A 69 -8.301 -0.383 -7.344 1.00 33.24 C ATOM 1009 C LEU A 69 -7.682 -1.321 -6.311 1.00 34.55 C ATOM 1010 O LEU A 69 -8.094 -2.472 -6.264 1.00 22.35 O ATOM 1011 CB LEU A 69 -7.375 -0.128 -8.537 1.00 60.21 C ATOM 1012 CG LEU A 69 -7.227 -1.315 -9.506 1.00 52.22 C ATOM 1013 CD1 LEU A 69 -8.553 -1.985 -9.888 1.00 15.32 C ATOM 1014 CD2 LEU A 69 -6.564 -0.760 -10.767 1.00 64.54 C ATOM 0 H LEU A 69 -8.197 1.688 -7.013 1.00 41.21 H new ATOM 0 HA LEU A 69 -9.185 -0.872 -7.753 1.00 33.24 H new ATOM 0 HB2 LEU A 69 -7.750 0.732 -9.093 1.00 60.21 H new ATOM 0 HB3 LEU A 69 -6.388 0.141 -8.161 1.00 60.21 H new ATOM 0 HG LEU A 69 -6.641 -2.090 -9.012 1.00 52.22 H new ATOM 0 HD11 LEU A 69 -8.359 -2.811 -10.573 1.00 15.32 H new ATOM 0 HD12 LEU A 69 -9.041 -2.365 -8.990 1.00 15.32 H new ATOM 0 HD13 LEU A 69 -9.202 -1.256 -10.373 1.00 15.32 H new ATOM 0 HD21 LEU A 69 -6.434 -1.563 -11.493 1.00 64.54 H new ATOM 0 HD22 LEU A 69 -7.194 0.019 -11.196 1.00 64.54 H new ATOM 0 HD23 LEU A 69 -5.591 -0.340 -10.512 1.00 64.54 H new ATOM 1025 N ALA A 70 -6.805 -0.853 -5.408 1.00 31.11 N ATOM 1026 CA ALA A 70 -6.290 -1.706 -4.345 1.00 61.33 C ATOM 1027 C ALA A 70 -7.419 -2.226 -3.441 1.00 62.51 C ATOM 1028 O ALA A 70 -7.375 -3.383 -3.013 1.00 43.40 O ATOM 1029 CB ALA A 70 -5.224 -0.944 -3.551 1.00 42.21 C ATOM 0 H ALA A 70 -6.446 0.102 -5.399 1.00 31.11 H new ATOM 0 HA ALA A 70 -5.826 -2.586 -4.790 1.00 61.33 H new ATOM 0 HB1 ALA A 70 -4.838 -1.581 -2.755 1.00 42.21 H new ATOM 0 HB2 ALA A 70 -4.409 -0.660 -4.216 1.00 42.21 H new ATOM 0 HB3 ALA A 70 -5.666 -0.048 -3.116 1.00 42.21 H new ATOM 1035 N ILE A 71 -8.457 -1.421 -3.183 1.00 24.10 N ATOM 1036 CA ILE A 71 -9.665 -1.872 -2.485 1.00 1.21 C ATOM 1037 C ILE A 71 -10.302 -3.027 -3.269 1.00 55.00 C ATOM 1038 O ILE A 71 -10.653 -4.060 -2.692 1.00 72.13 O ATOM 1039 CB ILE A 71 -10.644 -0.692 -2.241 1.00 3.33 C ATOM 1040 CG1 ILE A 71 -9.984 0.355 -1.315 1.00 55.01 C ATOM 1041 CG2 ILE A 71 -11.969 -1.197 -1.641 1.00 3.33 C ATOM 1042 CD1 ILE A 71 -10.790 1.639 -1.079 1.00 52.42 C ATOM 0 H ILE A 71 -8.482 -0.438 -3.453 1.00 24.10 H new ATOM 0 HA ILE A 71 -9.401 -2.247 -1.496 1.00 1.21 H new ATOM 0 HB ILE A 71 -10.870 -0.220 -3.197 1.00 3.33 H new ATOM 0 HG12 ILE A 71 -9.790 -0.112 -0.350 1.00 55.01 H new ATOM 0 HG13 ILE A 71 -9.017 0.628 -1.737 1.00 55.01 H new ATOM 0 HG21 ILE A 71 -12.640 -0.353 -1.478 1.00 3.33 H new ATOM 0 HG22 ILE A 71 -12.434 -1.903 -2.329 1.00 3.33 H new ATOM 0 HG23 ILE A 71 -11.772 -1.693 -0.690 1.00 3.33 H new ATOM 0 HD11 ILE A 71 -10.233 2.301 -0.416 1.00 52.42 H new ATOM 0 HD12 ILE A 71 -10.963 2.140 -2.031 1.00 52.42 H new ATOM 0 HD13 ILE A 71 -11.747 1.389 -0.622 1.00 52.42 H new ATOM 1053 N GLY A 72 -10.417 -2.885 -4.589 1.00 62.52 N ATOM 1054 CA GLY A 72 -10.978 -3.876 -5.492 1.00 40.21 C ATOM 1055 C GLY A 72 -10.191 -5.189 -5.547 1.00 42.04 C ATOM 1056 O GLY A 72 -10.668 -6.149 -6.154 1.00 73.52 O ATOM 0 H GLY A 72 -10.108 -2.042 -5.073 1.00 62.52 H new ATOM 0 HA2 GLY A 72 -12.002 -4.091 -5.187 1.00 40.21 H new ATOM 0 HA3 GLY A 72 -11.027 -3.452 -6.495 1.00 40.21 H new ATOM 1060 N LEU A 73 -9.012 -5.273 -4.928 1.00 13.33 N ATOM 1061 CA LEU A 73 -8.094 -6.410 -5.021 1.00 2.32 C ATOM 1062 C LEU A 73 -7.936 -7.142 -3.685 1.00 23.21 C ATOM 1063 O LEU A 73 -7.159 -8.089 -3.608 1.00 71.30 O ATOM 1064 CB LEU A 73 -6.734 -5.922 -5.539 1.00 14.44 C ATOM 1065 CG LEU A 73 -6.802 -5.364 -6.971 1.00 44.44 C ATOM 1066 CD1 LEU A 73 -5.553 -4.553 -7.290 1.00 42.22 C ATOM 1067 CD2 LEU A 73 -6.968 -6.465 -8.016 1.00 33.55 C ATOM 0 H LEU A 73 -8.658 -4.527 -4.329 1.00 13.33 H new ATOM 0 HA LEU A 73 -8.518 -7.131 -5.721 1.00 2.32 H new ATOM 0 HB2 LEU A 73 -6.353 -5.149 -4.871 1.00 14.44 H new ATOM 0 HB3 LEU A 73 -6.023 -6.747 -5.510 1.00 14.44 H new ATOM 0 HG LEU A 73 -7.682 -4.722 -7.014 1.00 44.44 H new ATOM 0 HD11 LEU A 73 -5.620 -4.167 -8.307 1.00 42.22 H new ATOM 0 HD12 LEU A 73 -5.471 -3.721 -6.591 1.00 42.22 H new ATOM 0 HD13 LEU A 73 -4.673 -5.190 -7.201 1.00 42.22 H new ATOM 0 HD21 LEU A 73 -7.011 -6.020 -9.010 1.00 33.55 H new ATOM 0 HD22 LEU A 73 -6.121 -7.149 -7.961 1.00 33.55 H new ATOM 0 HD23 LEU A 73 -7.891 -7.013 -7.824 1.00 33.55 H new ATOM 1078 N THR A 74 -8.680 -6.752 -2.641 1.00 14.21 N ATOM 1079 CA THR A 74 -8.638 -7.380 -1.317 1.00 14.34 C ATOM 1080 C THR A 74 -8.838 -8.911 -1.351 1.00 4.45 C ATOM 1081 O THR A 74 -8.431 -9.616 -0.429 1.00 60.44 O ATOM 1082 CB THR A 74 -9.628 -6.689 -0.383 1.00 35.44 C ATOM 1083 OG1 THR A 74 -9.467 -7.132 0.955 1.00 15.32 O ATOM 1084 CG2 THR A 74 -11.081 -6.893 -0.813 1.00 61.51 C ATOM 0 H THR A 74 -9.340 -5.976 -2.696 1.00 14.21 H new ATOM 0 HA THR A 74 -7.630 -7.242 -0.926 1.00 14.34 H new ATOM 0 HB THR A 74 -9.405 -5.624 -0.442 1.00 35.44 H new ATOM 0 HG1 THR A 74 -8.555 -7.469 1.081 1.00 15.32 H new ATOM 0 HG21 THR A 74 -11.743 -6.381 -0.114 1.00 61.51 H new ATOM 0 HG22 THR A 74 -11.225 -6.486 -1.814 1.00 61.51 H new ATOM 0 HG23 THR A 74 -11.313 -7.958 -0.818 1.00 61.51 H new ATOM 1092 N GLY A 75 -9.479 -9.428 -2.399 1.00 62.52 N ATOM 1093 CA GLY A 75 -9.857 -10.819 -2.534 1.00 0.02 C ATOM 1094 C GLY A 75 -8.994 -11.556 -3.550 1.00 14.12 C ATOM 1095 O GLY A 75 -9.439 -12.575 -4.080 1.00 33.23 O ATOM 0 H GLY A 75 -9.755 -8.862 -3.202 1.00 62.52 H new ATOM 0 HA2 GLY A 75 -9.774 -11.311 -1.565 1.00 0.02 H new ATOM 0 HA3 GLY A 75 -10.903 -10.882 -2.835 1.00 0.02 H new ATOM 1099 N GLN A 76 -7.815 -11.036 -3.890 1.00 64.53 N ATOM 1100 CA GLN A 76 -6.788 -11.757 -4.630 1.00 55.21 C ATOM 1101 C GLN A 76 -5.703 -12.237 -3.660 1.00 60.32 C ATOM 1102 O GLN A 76 -5.792 -11.973 -2.460 1.00 4.11 O ATOM 1103 CB GLN A 76 -6.190 -10.862 -5.711 1.00 42.32 C ATOM 1104 CG GLN A 76 -7.193 -10.321 -6.726 1.00 62.21 C ATOM 1105 CD GLN A 76 -6.528 -9.896 -8.034 1.00 61.42 C ATOM 1106 OE1 GLN A 76 -5.308 -9.924 -8.204 1.00 42.22 O ATOM 1107 NE2 GLN A 76 -7.324 -9.488 -9.001 1.00 61.24 N ATOM 0 H GLN A 76 -7.545 -10.082 -3.652 1.00 64.53 H new ATOM 0 HA GLN A 76 -7.234 -12.624 -5.118 1.00 55.21 H new ATOM 0 HB2 GLN A 76 -5.692 -10.020 -5.230 1.00 42.32 H new ATOM 0 HB3 GLN A 76 -5.423 -11.424 -6.244 1.00 42.32 H new ATOM 0 HG2 GLN A 76 -7.942 -11.085 -6.934 1.00 62.21 H new ATOM 0 HG3 GLN A 76 -7.718 -9.468 -6.295 1.00 62.21 H new ATOM 0 HE21 GLN A 76 -8.333 -9.467 -8.856 1.00 61.24 H new ATOM 0 HE22 GLN A 76 -6.931 -9.194 -9.895 1.00 61.24 H new ATOM 1114 N ARG A 77 -4.681 -12.944 -4.158 1.00 44.12 N ATOM 1115 CA ARG A 77 -3.559 -13.445 -3.366 1.00 60.54 C ATOM 1116 C ARG A 77 -2.295 -13.593 -4.208 1.00 14.22 C ATOM 1117 O ARG A 77 -2.093 -14.640 -4.821 1.00 13.42 O ATOM 1118 CB ARG A 77 -3.938 -14.779 -2.704 1.00 43.13 C ATOM 1119 CG ARG A 77 -4.590 -15.788 -3.675 1.00 63.11 C ATOM 1120 CD ARG A 77 -4.156 -17.217 -3.382 1.00 74.23 C ATOM 1121 NE ARG A 77 -4.641 -17.627 -2.063 1.00 61.41 N ATOM 1122 CZ ARG A 77 -4.191 -18.638 -1.326 1.00 24.21 C ATOM 1123 NH1 ARG A 77 -3.149 -19.361 -1.720 1.00 72.20 N ATOM 1124 NH2 ARG A 77 -4.800 -18.918 -0.183 1.00 74.43 N ATOM 0 H ARG A 77 -4.613 -13.187 -5.146 1.00 44.12 H new ATOM 0 HA ARG A 77 -3.341 -12.714 -2.588 1.00 60.54 H new ATOM 0 HB2 ARG A 77 -3.043 -15.228 -2.273 1.00 43.13 H new ATOM 0 HB3 ARG A 77 -4.625 -14.584 -1.880 1.00 43.13 H new ATOM 0 HG2 ARG A 77 -5.675 -15.715 -3.600 1.00 63.11 H new ATOM 0 HG3 ARG A 77 -4.323 -15.530 -4.700 1.00 63.11 H new ATOM 0 HD2 ARG A 77 -4.546 -17.888 -4.147 1.00 74.23 H new ATOM 0 HD3 ARG A 77 -3.069 -17.290 -3.418 1.00 74.23 H new ATOM 0 HE ARG A 77 -5.405 -17.079 -1.668 1.00 61.41 H new ATOM 0 HH11 ARG A 77 -2.681 -19.144 -2.600 1.00 72.20 H new ATOM 0 HH12 ARG A 77 -2.817 -20.133 -1.143 1.00 72.20 H new ATOM 0 HH21 ARG A 77 -5.600 -18.362 0.118 1.00 74.43 H new ATOM 0 HH22 ARG A 77 -4.469 -19.690 0.396 1.00 74.43 H new ATOM 1135 N VAL A 78 -1.407 -12.602 -4.215 1.00 75.54 N ATOM 1136 CA VAL A 78 -0.126 -12.740 -4.905 1.00 41.01 C ATOM 1137 C VAL A 78 0.641 -13.877 -4.240 1.00 41.22 C ATOM 1138 O VAL A 78 1.059 -13.733 -3.097 1.00 60.41 O ATOM 1139 CB VAL A 78 0.673 -11.422 -4.875 1.00 21.35 C ATOM 1140 CG1 VAL A 78 2.058 -11.572 -5.523 1.00 40.13 C ATOM 1141 CG2 VAL A 78 -0.095 -10.309 -5.598 1.00 3.41 C ATOM 0 H VAL A 78 -1.548 -11.702 -3.755 1.00 75.54 H new ATOM 0 HA VAL A 78 -0.291 -12.971 -5.958 1.00 41.01 H new ATOM 0 HB VAL A 78 0.808 -11.161 -3.825 1.00 21.35 H new ATOM 0 HG11 VAL A 78 2.585 -10.619 -5.479 1.00 40.13 H new ATOM 0 HG12 VAL A 78 2.631 -12.329 -4.987 1.00 40.13 H new ATOM 0 HG13 VAL A 78 1.942 -11.875 -6.564 1.00 40.13 H new ATOM 0 HG21 VAL A 78 0.485 -9.387 -5.566 1.00 3.41 H new ATOM 0 HG22 VAL A 78 -0.262 -10.597 -6.636 1.00 3.41 H new ATOM 0 HG23 VAL A 78 -1.055 -10.151 -5.107 1.00 3.41 H new ATOM 1151 N LEU A 79 0.807 -15.007 -4.934 1.00 60.13 N ATOM 1152 CA LEU A 79 1.598 -16.156 -4.483 1.00 2.35 C ATOM 1153 C LEU A 79 1.209 -16.597 -3.060 1.00 20.43 C ATOM 1154 O LEU A 79 2.054 -16.986 -2.249 1.00 60.14 O ATOM 1155 CB LEU A 79 3.103 -15.853 -4.622 1.00 71.20 C ATOM 1156 CG LEU A 79 3.553 -15.232 -5.962 1.00 64.20 C ATOM 1157 CD1 LEU A 79 5.073 -15.063 -5.974 1.00 74.40 C ATOM 1158 CD2 LEU A 79 3.105 -16.034 -7.186 1.00 44.44 C ATOM 0 H LEU A 79 0.383 -15.152 -5.850 1.00 60.13 H new ATOM 0 HA LEU A 79 1.373 -17.006 -5.128 1.00 2.35 H new ATOM 0 HB2 LEU A 79 3.392 -15.177 -3.817 1.00 71.20 H new ATOM 0 HB3 LEU A 79 3.654 -16.781 -4.472 1.00 71.20 H new ATOM 0 HG LEU A 79 3.065 -14.260 -6.034 1.00 64.20 H new ATOM 0 HD11 LEU A 79 5.383 -14.624 -6.923 1.00 74.40 H new ATOM 0 HD12 LEU A 79 5.373 -14.408 -5.156 1.00 74.40 H new ATOM 0 HD13 LEU A 79 5.548 -16.036 -5.852 1.00 74.40 H new ATOM 0 HD21 LEU A 79 3.455 -15.541 -8.093 1.00 44.44 H new ATOM 0 HD22 LEU A 79 3.523 -17.039 -7.135 1.00 44.44 H new ATOM 0 HD23 LEU A 79 2.017 -16.094 -7.203 1.00 44.44 H new ATOM 1169 N GLY A 80 -0.081 -16.485 -2.728 1.00 62.41 N ATOM 1170 CA GLY A 80 -0.603 -16.828 -1.413 1.00 4.34 C ATOM 1171 C GLY A 80 -0.398 -15.729 -0.374 1.00 63.11 C ATOM 1172 O GLY A 80 -0.159 -16.047 0.791 1.00 71.53 O ATOM 0 H GLY A 80 -0.795 -16.150 -3.375 1.00 62.41 H new ATOM 0 HA2 GLY A 80 -1.668 -17.043 -1.498 1.00 4.34 H new ATOM 0 HA3 GLY A 80 -0.120 -17.741 -1.065 1.00 4.34 H new ATOM 1176 N VAL A 81 -0.478 -14.461 -0.778 1.00 24.12 N ATOM 1177 CA VAL A 81 -0.410 -13.285 0.082 1.00 52.20 C ATOM 1178 C VAL A 81 -1.604 -12.382 -0.254 1.00 75.24 C ATOM 1179 O VAL A 81 -1.497 -11.554 -1.160 1.00 0.14 O ATOM 1180 CB VAL A 81 0.952 -12.571 -0.023 1.00 1.31 C ATOM 1181 CG1 VAL A 81 1.056 -11.588 1.149 1.00 63.22 C ATOM 1182 CG2 VAL A 81 2.130 -13.548 0.058 1.00 41.10 C ATOM 0 H VAL A 81 -0.598 -14.217 -1.761 1.00 24.12 H new ATOM 0 HA VAL A 81 -0.480 -13.578 1.129 1.00 52.20 H new ATOM 0 HB VAL A 81 1.003 -12.069 -0.989 1.00 1.31 H new ATOM 0 HG11 VAL A 81 2.012 -11.066 1.102 1.00 63.22 H new ATOM 0 HG12 VAL A 81 0.244 -10.864 1.090 1.00 63.22 H new ATOM 0 HG13 VAL A 81 0.987 -12.135 2.090 1.00 63.22 H new ATOM 0 HG21 VAL A 81 3.067 -12.996 -0.021 1.00 41.10 H new ATOM 0 HG22 VAL A 81 2.099 -14.077 1.011 1.00 41.10 H new ATOM 0 HG23 VAL A 81 2.063 -14.267 -0.758 1.00 41.10 H new ATOM 1192 N PRO A 82 -2.785 -12.591 0.347 1.00 14.05 N ATOM 1193 CA PRO A 82 -3.935 -11.715 0.143 1.00 63.22 C ATOM 1194 C PRO A 82 -3.711 -10.337 0.770 1.00 35.54 C ATOM 1195 O PRO A 82 -2.766 -10.135 1.535 1.00 34.20 O ATOM 1196 CB PRO A 82 -5.109 -12.443 0.795 1.00 55.30 C ATOM 1197 CG PRO A 82 -4.420 -13.165 1.948 1.00 35.21 C ATOM 1198 CD PRO A 82 -3.110 -13.624 1.320 1.00 44.04 C ATOM 0 HA PRO A 82 -4.114 -11.524 -0.915 1.00 63.22 H new ATOM 0 HB2 PRO A 82 -5.876 -11.752 1.144 1.00 55.30 H new ATOM 0 HB3 PRO A 82 -5.593 -13.137 0.108 1.00 55.30 H new ATOM 0 HG2 PRO A 82 -4.252 -12.503 2.798 1.00 35.21 H new ATOM 0 HG3 PRO A 82 -5.012 -14.006 2.311 1.00 35.21 H new ATOM 0 HD2 PRO A 82 -2.325 -13.723 2.070 1.00 44.04 H new ATOM 0 HD3 PRO A 82 -3.220 -14.598 0.842 1.00 44.04 H new ATOM 1203 N ILE A 83 -4.617 -9.390 0.512 1.00 13.10 N ATOM 1204 CA ILE A 83 -4.483 -8.013 0.971 1.00 20.20 C ATOM 1205 C ILE A 83 -5.810 -7.519 1.560 1.00 53.04 C ATOM 1206 O ILE A 83 -6.869 -8.084 1.302 1.00 42.41 O ATOM 1207 CB ILE A 83 -3.890 -7.162 -0.184 1.00 21.24 C ATOM 1208 CG1 ILE A 83 -3.323 -5.832 0.354 1.00 35.42 C ATOM 1209 CG2 ILE A 83 -4.890 -6.952 -1.338 1.00 43.00 C ATOM 1210 CD1 ILE A 83 -2.376 -5.141 -0.631 1.00 15.11 C ATOM 0 H ILE A 83 -5.467 -9.562 -0.024 1.00 13.10 H new ATOM 0 HA ILE A 83 -3.778 -7.922 1.798 1.00 20.20 H new ATOM 0 HB ILE A 83 -3.061 -7.725 -0.614 1.00 21.24 H new ATOM 0 HG12 ILE A 83 -4.149 -5.160 0.587 1.00 35.42 H new ATOM 0 HG13 ILE A 83 -2.792 -6.021 1.287 1.00 35.42 H new ATOM 0 HG21 ILE A 83 -4.424 -6.351 -2.118 1.00 43.00 H new ATOM 0 HG22 ILE A 83 -5.179 -7.919 -1.749 1.00 43.00 H new ATOM 0 HG23 ILE A 83 -5.775 -6.438 -0.963 1.00 43.00 H new ATOM 0 HD11 ILE A 83 -2.011 -4.211 -0.194 1.00 15.11 H new ATOM 0 HD12 ILE A 83 -1.532 -5.797 -0.845 1.00 15.11 H new ATOM 0 HD13 ILE A 83 -2.910 -4.922 -1.556 1.00 15.11 H new ATOM 1221 N ILE A 84 -5.775 -6.463 2.370 1.00 14.44 N ATOM 1222 CA ILE A 84 -6.967 -5.859 2.963 1.00 32.53 C ATOM 1223 C ILE A 84 -7.335 -4.642 2.111 1.00 32.12 C ATOM 1224 O ILE A 84 -6.540 -4.175 1.293 1.00 43.14 O ATOM 1225 CB ILE A 84 -6.685 -5.557 4.459 1.00 11.01 C ATOM 1226 CG1 ILE A 84 -6.316 -6.844 5.236 1.00 44.42 C ATOM 1227 CG2 ILE A 84 -7.830 -4.854 5.207 1.00 32.52 C ATOM 1228 CD1 ILE A 84 -7.388 -7.941 5.257 1.00 22.12 C ATOM 0 H ILE A 84 -4.908 -5.997 2.636 1.00 14.44 H new ATOM 0 HA ILE A 84 -7.834 -6.520 2.961 1.00 32.53 H new ATOM 0 HB ILE A 84 -5.845 -4.863 4.429 1.00 11.01 H new ATOM 0 HG12 ILE A 84 -5.406 -7.259 4.802 1.00 44.42 H new ATOM 0 HG13 ILE A 84 -6.083 -6.570 6.265 1.00 44.42 H new ATOM 0 HG21 ILE A 84 -7.538 -4.686 6.244 1.00 32.52 H new ATOM 0 HG22 ILE A 84 -8.043 -3.897 4.730 1.00 32.52 H new ATOM 0 HG23 ILE A 84 -8.722 -5.480 5.178 1.00 32.52 H new ATOM 0 HD11 ILE A 84 -7.024 -8.795 5.828 1.00 22.12 H new ATOM 0 HD12 ILE A 84 -8.295 -7.554 5.722 1.00 22.12 H new ATOM 0 HD13 ILE A 84 -7.608 -8.254 4.236 1.00 22.12 H new ATOM 1239 N VAL A 85 -8.537 -4.110 2.283 1.00 4.24 N ATOM 1240 CA VAL A 85 -8.977 -2.899 1.605 1.00 40.23 C ATOM 1241 C VAL A 85 -8.261 -1.639 2.098 1.00 3.10 C ATOM 1242 O VAL A 85 -8.223 -0.668 1.344 1.00 72.34 O ATOM 1243 CB VAL A 85 -10.507 -2.772 1.733 1.00 54.35 C ATOM 1244 CG1 VAL A 85 -11.160 -3.979 1.040 1.00 12.04 C ATOM 1245 CG2 VAL A 85 -11.001 -2.646 3.182 1.00 32.31 C ATOM 0 H VAL A 85 -9.241 -4.511 2.903 1.00 4.24 H new ATOM 0 HA VAL A 85 -8.707 -2.988 0.553 1.00 40.23 H new ATOM 0 HB VAL A 85 -10.800 -1.841 1.248 1.00 54.35 H new ATOM 0 HG11 VAL A 85 -12.244 -3.903 1.122 1.00 12.04 H new ATOM 0 HG12 VAL A 85 -10.876 -3.992 -0.012 1.00 12.04 H new ATOM 0 HG13 VAL A 85 -10.823 -4.899 1.518 1.00 12.04 H new ATOM 0 HG21 VAL A 85 -12.088 -2.561 3.190 1.00 32.31 H new ATOM 0 HG22 VAL A 85 -10.702 -3.529 3.746 1.00 32.31 H new ATOM 0 HG23 VAL A 85 -10.564 -1.758 3.639 1.00 32.31 H new ATOM 1255 N GLN A 86 -7.676 -1.642 3.305 1.00 55.04 N ATOM 1256 CA GLN A 86 -7.518 -0.467 4.165 1.00 51.25 C ATOM 1257 C GLN A 86 -7.045 0.808 3.462 1.00 21.33 C ATOM 1258 O GLN A 86 -7.611 1.867 3.742 1.00 0.14 O ATOM 1259 CB GLN A 86 -6.582 -0.772 5.355 1.00 35.34 C ATOM 1260 CG GLN A 86 -7.315 -1.288 6.609 1.00 31.24 C ATOM 1261 CD GLN A 86 -6.438 -1.256 7.866 1.00 41.43 C ATOM 1262 OE1 GLN A 86 -6.194 -2.282 8.490 1.00 42.44 O ATOM 1263 NE2 GLN A 86 -5.949 -0.097 8.281 1.00 24.44 N ATOM 0 H GLN A 86 -7.289 -2.490 3.719 1.00 55.04 H new ATOM 0 HA GLN A 86 -8.530 -0.258 4.511 1.00 51.25 H new ATOM 0 HB2 GLN A 86 -5.846 -1.514 5.045 1.00 35.34 H new ATOM 0 HB3 GLN A 86 -6.033 0.133 5.614 1.00 35.34 H new ATOM 0 HG2 GLN A 86 -8.206 -0.683 6.778 1.00 31.24 H new ATOM 0 HG3 GLN A 86 -7.652 -2.310 6.433 1.00 31.24 H new ATOM 0 HE21 GLN A 86 -6.152 0.757 7.762 1.00 24.44 H new ATOM 0 HE22 GLN A 86 -5.370 -0.059 9.120 1.00 24.44 H new ATOM 1270 N ALA A 87 -6.064 0.730 2.558 1.00 32.13 N ATOM 1271 CA ALA A 87 -5.597 1.842 1.731 1.00 61.45 C ATOM 1272 C ALA A 87 -5.250 3.084 2.565 1.00 15.24 C ATOM 1273 O ALA A 87 -5.584 4.211 2.193 1.00 13.21 O ATOM 1274 CB ALA A 87 -6.601 2.111 0.599 1.00 34.30 C ATOM 0 H ALA A 87 -5.558 -0.137 2.377 1.00 32.13 H new ATOM 0 HA ALA A 87 -4.655 1.560 1.261 1.00 61.45 H new ATOM 0 HB1 ALA A 87 -6.246 2.941 -0.013 1.00 34.30 H new ATOM 0 HB2 ALA A 87 -6.699 1.219 -0.020 1.00 34.30 H new ATOM 0 HB3 ALA A 87 -7.571 2.364 1.026 1.00 34.30 H new ATOM 1280 N SER A 88 -4.595 2.848 3.707 1.00 1.43 N ATOM 1281 CA SER A 88 -4.259 3.811 4.737 1.00 32.21 C ATOM 1282 C SER A 88 -5.456 4.692 5.105 1.00 31.53 C ATOM 1283 O SER A 88 -6.603 4.255 4.978 1.00 51.02 O ATOM 1284 CB SER A 88 -2.917 4.492 4.410 1.00 63.44 C ATOM 1285 OG SER A 88 -2.293 3.993 3.248 1.00 40.31 O ATOM 0 H SER A 88 -4.267 1.911 3.943 1.00 1.43 H new ATOM 0 HA SER A 88 -4.061 3.318 5.689 1.00 32.21 H new ATOM 0 HB2 SER A 88 -3.083 5.563 4.290 1.00 63.44 H new ATOM 0 HB3 SER A 88 -2.241 4.367 5.256 1.00 63.44 H new ATOM 0 HG SER A 88 -2.698 4.405 2.456 1.00 40.31 H new