USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 529 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 31 THR OG1 : rot -154:sc= 1.17 USER MOD Set 1.2: A 46 THR OG1 : rot 180:sc= 1.06 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 154:sc= -0.14 (180deg=-0.205) USER MOD Set 2.2: A 26 GLN : amide:sc= 0.0917 K(o=-0.048,f=-1.6) USER MOD Single : A 1 MET CE :methyl 178:sc= -1.3 (180deg=-1.33) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.126 F(o=-0.89,f=-0.13) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ILE N :NH3+ -154:sc= -0.237 (180deg=-1.31!) USER MOD Single : A 10 CYS SG : rot -84:sc= -1.22 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 22 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.15) USER MOD Single : A 29 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.1) USER MOD Single : A 34 LYS NZ :NH3+ 170:sc=-0.00481 (180deg=-0.115) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 114:sc= 0.969 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 129:sc= 1.2 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0674 USER MOD ----------------------------------------------------------------- ATOM 181 N ILE A -3 45.433 9.086 30.143 1.00 0.00 N ATOM 182 CA ILE A -3 45.865 9.674 28.893 1.00 0.00 C ATOM 183 C ILE A -3 47.283 10.211 29.017 1.00 0.00 C ATOM 184 O ILE A -3 48.158 9.857 28.228 1.00 0.00 O ATOM 185 CB ILE A -3 44.915 10.813 28.469 1.00 0.00 C ATOM 186 CG1 ILE A -3 43.465 10.357 28.613 1.00 0.00 C ATOM 187 CG2 ILE A -3 45.205 11.248 27.036 1.00 0.00 C ATOM 188 CD1 ILE A -3 42.450 11.438 28.329 1.00 0.00 C ATOM 0 H1 ILE A -3 44.706 8.366 29.955 1.00 0.00 H new ATOM 0 H2 ILE A -3 46.245 8.642 30.617 1.00 0.00 H new ATOM 0 H3 ILE A -3 45.037 9.827 30.756 1.00 0.00 H new ATOM 0 HA ILE A -3 45.845 8.895 28.131 1.00 0.00 H new ATOM 0 HB ILE A -3 45.079 11.672 29.120 1.00 0.00 H new ATOM 0 HG12 ILE A -3 43.289 9.521 27.936 1.00 0.00 H new ATOM 0 HG13 ILE A -3 43.311 9.985 29.626 1.00 0.00 H new ATOM 0 HG21 ILE A -3 44.525 12.052 26.755 1.00 0.00 H new ATOM 0 HG22 ILE A -3 46.234 11.601 26.964 1.00 0.00 H new ATOM 0 HG23 ILE A -3 45.064 10.402 26.363 1.00 0.00 H new ATOM 0 HD11 ILE A -3 41.445 11.035 28.453 1.00 0.00 H new ATOM 0 HD12 ILE A -3 42.597 12.266 29.022 1.00 0.00 H new ATOM 0 HD13 ILE A -3 42.575 11.795 27.307 1.00 0.00 H new ATOM 200 N GLU A -2 47.506 11.050 30.019 1.00 0.00 N ATOM 201 CA GLU A -2 48.814 11.638 30.235 1.00 0.00 C ATOM 202 C GLU A -2 49.780 10.598 30.777 1.00 0.00 C ATOM 203 O GLU A -2 49.776 10.280 31.976 1.00 0.00 O ATOM 204 CB GLU A -2 48.720 12.827 31.182 1.00 0.00 C ATOM 205 CG GLU A -2 50.049 13.512 31.447 1.00 0.00 C ATOM 206 CD GLU A -2 49.942 14.590 32.491 1.00 0.00 C ATOM 207 OE1 GLU A -2 50.087 14.272 33.694 1.00 0.00 O ATOM 208 OE2 GLU A -2 49.712 15.756 32.129 1.00 0.00 O ATOM 0 H GLU A -2 46.796 11.337 30.693 1.00 0.00 H new ATOM 0 HA GLU A -2 49.193 11.995 29.277 1.00 0.00 H new ATOM 0 HB2 GLU A -2 48.024 13.556 30.766 1.00 0.00 H new ATOM 0 HB3 GLU A -2 48.301 12.491 32.130 1.00 0.00 H new ATOM 0 HG2 GLU A -2 50.779 12.770 31.769 1.00 0.00 H new ATOM 0 HG3 GLU A -2 50.423 13.945 30.519 1.00 0.00 H new ATOM 215 N GLY A -1 50.584 10.070 29.888 1.00 0.00 N ATOM 216 CA GLY A -1 51.528 9.045 30.234 1.00 0.00 C ATOM 217 C GLY A -1 51.800 8.164 29.047 1.00 0.00 C ATOM 218 O GLY A -1 52.932 8.059 28.588 1.00 0.00 O ATOM 0 H GLY A -1 50.600 10.341 28.905 1.00 0.00 H new ATOM 0 HA2 GLY A -1 52.457 9.498 30.579 1.00 0.00 H new ATOM 0 HA3 GLY A -1 51.140 8.447 31.058 1.00 0.00 H new ATOM 222 N ARG A 0 50.753 7.541 28.535 1.00 0.00 N ATOM 223 CA ARG A 0 50.872 6.708 27.354 1.00 0.00 C ATOM 224 C ARG A 0 50.650 7.544 26.104 1.00 0.00 C ATOM 225 O ARG A 0 51.324 7.358 25.090 1.00 0.00 O ATOM 226 CB ARG A 0 49.886 5.530 27.399 1.00 0.00 C ATOM 227 CG ARG A 0 48.418 5.923 27.399 1.00 0.00 C ATOM 228 CD ARG A 0 47.518 4.718 27.615 1.00 0.00 C ATOM 229 NE ARG A 0 47.666 4.164 28.966 1.00 0.00 N ATOM 230 CZ ARG A 0 47.023 3.085 29.415 1.00 0.00 C ATOM 231 NH1 ARG A 0 46.216 2.398 28.613 1.00 0.00 N ATOM 232 NH2 ARG A 0 47.196 2.692 30.668 1.00 0.00 N ATOM 0 H ARG A 0 49.810 7.597 28.920 1.00 0.00 H new ATOM 0 HA ARG A 0 51.880 6.293 27.329 1.00 0.00 H new ATOM 0 HB2 ARG A 0 50.074 4.885 26.541 1.00 0.00 H new ATOM 0 HB3 ARG A 0 50.089 4.939 28.292 1.00 0.00 H new ATOM 0 HG2 ARG A 0 48.237 6.658 28.183 1.00 0.00 H new ATOM 0 HG3 ARG A 0 48.168 6.400 26.451 1.00 0.00 H new ATOM 0 HD2 ARG A 0 46.479 5.006 27.452 1.00 0.00 H new ATOM 0 HD3 ARG A 0 47.756 3.950 26.879 1.00 0.00 H new ATOM 0 HE ARG A 0 48.305 4.637 29.606 1.00 0.00 H new ATOM 0 HH11 ARG A 0 46.085 2.695 27.646 1.00 0.00 H new ATOM 0 HH12 ARG A 0 45.728 1.574 28.965 1.00 0.00 H new ATOM 0 HH21 ARG A 0 47.819 3.214 31.285 1.00 0.00 H new ATOM 0 HH22 ARG A 0 46.707 1.868 31.016 1.00 0.00 H new ATOM 246 N MET A 1 49.721 8.488 26.194 1.00 0.00 N ATOM 247 CA MET A 1 49.408 9.353 25.079 1.00 0.00 C ATOM 248 C MET A 1 50.195 10.636 25.223 1.00 0.00 C ATOM 249 O MET A 1 49.993 11.397 26.176 1.00 0.00 O ATOM 250 CB MET A 1 47.904 9.667 25.026 1.00 0.00 C ATOM 251 CG MET A 1 46.995 8.476 25.321 1.00 0.00 C ATOM 252 SD MET A 1 47.329 7.040 24.282 1.00 0.00 S ATOM 253 CE MET A 1 46.907 7.678 22.671 1.00 0.00 C ATOM 0 H MET A 1 49.173 8.669 27.035 1.00 0.00 H new ATOM 0 HA MET A 1 49.677 8.847 24.152 1.00 0.00 H new ATOM 0 HB2 MET A 1 47.686 10.460 25.742 1.00 0.00 H new ATOM 0 HB3 MET A 1 47.662 10.056 24.037 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.110 8.192 26.367 1.00 0.00 H new ATOM 0 HG3 MET A 1 45.957 8.779 25.185 1.00 0.00 H new ATOM 0 HE1 MET A 1 47.096 6.914 21.916 1.00 0.00 H new ATOM 0 HE2 MET A 1 45.852 7.953 22.653 1.00 0.00 H new ATOM 0 HE3 MET A 1 47.515 8.557 22.457 1.00 0.00 H new ATOM 263 N ASP A 2 51.096 10.873 24.307 1.00 0.00 N ATOM 264 CA ASP A 2 51.936 12.047 24.370 1.00 0.00 C ATOM 265 C ASP A 2 52.217 12.574 22.981 1.00 0.00 C ATOM 266 O ASP A 2 52.339 11.800 22.030 1.00 0.00 O ATOM 267 CB ASP A 2 53.243 11.711 25.091 1.00 0.00 C ATOM 268 CG ASP A 2 54.144 12.909 25.268 1.00 0.00 C ATOM 269 OD1 ASP A 2 53.635 13.988 25.634 1.00 0.00 O ATOM 270 OD2 ASP A 2 55.372 12.766 25.070 1.00 0.00 O ATOM 0 H ASP A 2 51.270 10.268 23.504 1.00 0.00 H new ATOM 0 HA ASP A 2 51.414 12.824 24.928 1.00 0.00 H new ATOM 0 HB2 ASP A 2 53.014 11.288 26.069 1.00 0.00 H new ATOM 0 HB3 ASP A 2 53.775 10.943 24.529 1.00 0.00 H new ATOM 275 N VAL A 3 52.306 13.887 22.857 1.00 0.00 N ATOM 276 CA VAL A 3 52.580 14.509 21.578 1.00 0.00 C ATOM 277 C VAL A 3 53.952 14.068 21.061 1.00 0.00 C ATOM 278 O VAL A 3 54.960 14.172 21.764 1.00 0.00 O ATOM 279 CB VAL A 3 52.489 16.061 21.656 1.00 0.00 C ATOM 280 CG1 VAL A 3 53.429 16.623 22.715 1.00 0.00 C ATOM 281 CG2 VAL A 3 52.762 16.693 20.298 1.00 0.00 C ATOM 0 H VAL A 3 52.192 14.542 23.630 1.00 0.00 H new ATOM 0 HA VAL A 3 51.815 14.179 20.875 1.00 0.00 H new ATOM 0 HB VAL A 3 51.471 16.315 21.950 1.00 0.00 H new ATOM 0 HG11 VAL A 3 53.339 17.709 22.742 1.00 0.00 H new ATOM 0 HG12 VAL A 3 53.166 16.213 23.690 1.00 0.00 H new ATOM 0 HG13 VAL A 3 54.456 16.350 22.472 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.692 17.778 20.381 1.00 0.00 H new ATOM 0 HG22 VAL A 3 53.762 16.418 19.963 1.00 0.00 H new ATOM 0 HG23 VAL A 3 52.027 16.336 19.576 1.00 0.00 H new ATOM 291 N GLY A 4 53.976 13.544 19.854 1.00 0.00 N ATOM 292 CA GLY A 4 55.210 13.044 19.292 1.00 0.00 C ATOM 293 C GLY A 4 55.217 11.532 19.231 1.00 0.00 C ATOM 294 O GLY A 4 55.972 10.934 18.466 1.00 0.00 O ATOM 0 H GLY A 4 53.161 13.454 19.248 1.00 0.00 H new ATOM 0 HA2 GLY A 4 55.346 13.451 18.290 1.00 0.00 H new ATOM 0 HA3 GLY A 4 56.051 13.389 19.893 1.00 0.00 H new ATOM 298 N GLN A 5 54.369 10.915 20.039 1.00 0.00 N ATOM 299 CA GLN A 5 54.246 9.471 20.057 1.00 0.00 C ATOM 300 C GLN A 5 53.380 9.003 18.910 1.00 0.00 C ATOM 301 O GLN A 5 52.424 9.681 18.526 1.00 0.00 O ATOM 302 CB GLN A 5 53.653 8.990 21.384 1.00 0.00 C ATOM 303 CG GLN A 5 54.599 9.113 22.564 1.00 0.00 C ATOM 304 CD GLN A 5 55.830 8.239 22.415 1.00 0.00 C ATOM 305 OE1 GLN A 5 55.674 7.094 21.771 1.00 0.00 O flip ATOM 306 NE2 GLN A 5 56.906 8.585 22.890 1.00 0.00 N flip ATOM 0 H GLN A 5 53.754 11.398 20.694 1.00 0.00 H new ATOM 0 HA GLN A 5 55.244 9.046 19.948 1.00 0.00 H new ATOM 0 HB2 GLN A 5 52.749 9.562 21.595 1.00 0.00 H new ATOM 0 HB3 GLN A 5 53.353 7.947 21.279 1.00 0.00 H new ATOM 0 HG2 GLN A 5 54.907 10.153 22.672 1.00 0.00 H new ATOM 0 HG3 GLN A 5 54.072 8.840 23.478 1.00 0.00 H new ATOM 0 HE21 GLN A 5 56.984 9.476 23.380 1.00 0.00 H new ATOM 0 HE22 GLN A 5 57.723 7.981 22.796 1.00 0.00 H new ATOM 315 N LYS A 6 53.717 7.863 18.359 1.00 0.00 N ATOM 316 CA LYS A 6 52.947 7.303 17.280 1.00 0.00 C ATOM 317 C LYS A 6 51.915 6.336 17.818 1.00 0.00 C ATOM 318 O LYS A 6 52.164 5.613 18.785 1.00 0.00 O ATOM 319 CB LYS A 6 53.853 6.622 16.263 1.00 0.00 C ATOM 320 CG LYS A 6 54.755 7.579 15.511 1.00 0.00 C ATOM 321 CD LYS A 6 55.643 6.842 14.529 1.00 0.00 C ATOM 322 CE LYS A 6 56.517 7.802 13.751 1.00 0.00 C ATOM 323 NZ LYS A 6 57.388 7.098 12.783 1.00 0.00 N ATOM 0 H LYS A 6 54.522 7.305 18.642 1.00 0.00 H new ATOM 0 HA LYS A 6 52.426 8.114 16.771 1.00 0.00 H new ATOM 0 HB2 LYS A 6 54.469 5.884 16.776 1.00 0.00 H new ATOM 0 HB3 LYS A 6 53.236 6.080 15.546 1.00 0.00 H new ATOM 0 HG2 LYS A 6 54.148 8.311 14.978 1.00 0.00 H new ATOM 0 HG3 LYS A 6 55.373 8.132 16.219 1.00 0.00 H new ATOM 0 HD2 LYS A 6 56.270 6.130 15.066 1.00 0.00 H new ATOM 0 HD3 LYS A 6 55.026 6.267 13.838 1.00 0.00 H new ATOM 0 HE2 LYS A 6 55.888 8.516 13.220 1.00 0.00 H new ATOM 0 HE3 LYS A 6 57.134 8.374 14.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 57.970 7.792 12.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 58.007 6.435 13.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 56.800 6.572 12.105 1.00 0.00 H new ATOM 337 N VAL A 7 50.756 6.340 17.206 1.00 0.00 N ATOM 338 CA VAL A 7 49.664 5.491 17.618 1.00 0.00 C ATOM 339 C VAL A 7 49.023 4.827 16.415 1.00 0.00 C ATOM 340 O VAL A 7 49.126 5.320 15.292 1.00 0.00 O ATOM 341 CB VAL A 7 48.583 6.275 18.405 1.00 0.00 C ATOM 342 CG1 VAL A 7 49.123 6.753 19.742 1.00 0.00 C ATOM 343 CG2 VAL A 7 48.068 7.449 17.589 1.00 0.00 C ATOM 0 H VAL A 7 50.542 6.934 16.405 1.00 0.00 H new ATOM 0 HA VAL A 7 50.084 4.732 18.278 1.00 0.00 H new ATOM 0 HB VAL A 7 47.751 5.597 18.597 1.00 0.00 H new ATOM 0 HG11 VAL A 7 48.345 7.300 20.274 1.00 0.00 H new ATOM 0 HG12 VAL A 7 49.434 5.894 20.337 1.00 0.00 H new ATOM 0 HG13 VAL A 7 49.978 7.408 19.576 1.00 0.00 H new ATOM 0 HG21 VAL A 7 47.310 7.985 18.161 1.00 0.00 H new ATOM 0 HG22 VAL A 7 48.894 8.123 17.360 1.00 0.00 H new ATOM 0 HG23 VAL A 7 47.630 7.083 16.661 1.00 0.00 H new ATOM 353 N ARG A 8 48.370 3.720 16.649 1.00 0.00 N ATOM 354 CA ARG A 8 47.708 2.991 15.593 1.00 0.00 C ATOM 355 C ARG A 8 46.258 2.754 15.964 1.00 0.00 C ATOM 356 O ARG A 8 45.964 2.349 17.087 1.00 0.00 O ATOM 357 CB ARG A 8 48.417 1.662 15.351 1.00 0.00 C ATOM 358 CG ARG A 8 47.879 0.878 14.169 1.00 0.00 C ATOM 359 CD ARG A 8 48.677 -0.391 13.948 1.00 0.00 C ATOM 360 NE ARG A 8 48.600 -1.295 15.104 1.00 0.00 N ATOM 361 CZ ARG A 8 49.193 -2.491 15.176 1.00 0.00 C ATOM 362 NH1 ARG A 8 49.881 -2.969 14.143 1.00 0.00 N ATOM 363 NH2 ARG A 8 49.084 -3.211 16.286 1.00 0.00 N ATOM 0 H ARG A 8 48.280 3.297 17.573 1.00 0.00 H new ATOM 0 HA ARG A 8 47.746 3.578 14.675 1.00 0.00 H new ATOM 0 HB2 ARG A 8 49.479 1.852 15.194 1.00 0.00 H new ATOM 0 HB3 ARG A 8 48.333 1.049 16.248 1.00 0.00 H new ATOM 0 HG2 ARG A 8 46.832 0.628 14.341 1.00 0.00 H new ATOM 0 HG3 ARG A 8 47.916 1.496 13.272 1.00 0.00 H new ATOM 0 HD2 ARG A 8 48.305 -0.904 13.061 1.00 0.00 H new ATOM 0 HD3 ARG A 8 49.719 -0.136 13.756 1.00 0.00 H new ATOM 0 HE ARG A 8 48.055 -0.988 15.909 1.00 0.00 H new ATOM 0 HH11 ARG A 8 49.960 -2.422 13.286 1.00 0.00 H new ATOM 0 HH12 ARG A 8 50.330 -3.883 14.208 1.00 0.00 H new ATOM 0 HH21 ARG A 8 48.550 -2.851 17.077 1.00 0.00 H new ATOM 0 HH22 ARG A 8 49.534 -4.124 16.348 1.00 0.00 H new ATOM 377 N VAL A 9 45.358 3.019 15.033 1.00 0.00 N ATOM 378 CA VAL A 9 43.936 2.833 15.283 1.00 0.00 C ATOM 379 C VAL A 9 43.599 1.350 15.298 1.00 0.00 C ATOM 380 O VAL A 9 43.677 0.673 14.269 1.00 0.00 O ATOM 381 CB VAL A 9 43.068 3.544 14.222 1.00 0.00 C ATOM 382 CG1 VAL A 9 41.630 3.659 14.701 1.00 0.00 C ATOM 383 CG2 VAL A 9 43.636 4.918 13.891 1.00 0.00 C ATOM 0 H VAL A 9 45.584 3.363 14.100 1.00 0.00 H new ATOM 0 HA VAL A 9 43.715 3.276 16.254 1.00 0.00 H new ATOM 0 HB VAL A 9 43.081 2.944 13.312 1.00 0.00 H new ATOM 0 HG11 VAL A 9 41.033 4.163 13.941 1.00 0.00 H new ATOM 0 HG12 VAL A 9 41.225 2.663 14.880 1.00 0.00 H new ATOM 0 HG13 VAL A 9 41.600 4.234 15.626 1.00 0.00 H new ATOM 0 HG21 VAL A 9 43.008 5.400 13.142 1.00 0.00 H new ATOM 0 HG22 VAL A 9 43.659 5.529 14.793 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.648 4.809 13.501 1.00 0.00 H new ATOM 393 N CYS A 10 43.242 0.851 16.467 1.00 0.00 N ATOM 394 CA CYS A 10 42.946 -0.561 16.636 1.00 0.00 C ATOM 395 C CYS A 10 41.490 -0.845 16.342 1.00 0.00 C ATOM 396 O CYS A 10 41.156 -1.817 15.662 1.00 0.00 O ATOM 397 CB CYS A 10 43.256 -0.989 18.063 1.00 0.00 C ATOM 398 SG CYS A 10 44.800 -0.335 18.709 1.00 0.00 S ATOM 0 H CYS A 10 43.149 1.405 17.318 1.00 0.00 H new ATOM 0 HA CYS A 10 43.566 -1.122 15.936 1.00 0.00 H new ATOM 0 HB2 CYS A 10 42.440 -0.670 18.711 1.00 0.00 H new ATOM 0 HB3 CYS A 10 43.290 -2.078 18.105 1.00 0.00 H new ATOM 0 HG CYS A 10 45.786 -1.091 18.326 1.00 0.00 H new ATOM 404 N ARG A 11 40.632 0.006 16.850 1.00 0.00 N ATOM 405 CA ARG A 11 39.204 -0.171 16.719 1.00 0.00 C ATOM 406 C ARG A 11 38.527 1.171 16.767 1.00 0.00 C ATOM 407 O ARG A 11 39.165 2.160 17.054 1.00 0.00 O ATOM 408 CB ARG A 11 38.682 -1.042 17.863 1.00 0.00 C ATOM 409 CG ARG A 11 39.028 -0.511 19.248 1.00 0.00 C ATOM 410 CD ARG A 11 38.529 -1.438 20.340 1.00 0.00 C ATOM 411 NE ARG A 11 39.214 -2.728 20.322 1.00 0.00 N ATOM 412 CZ ARG A 11 38.758 -3.830 20.916 1.00 0.00 C ATOM 413 NH1 ARG A 11 37.587 -3.815 21.544 1.00 0.00 N ATOM 414 NH2 ARG A 11 39.471 -4.948 20.875 1.00 0.00 N ATOM 0 H ARG A 11 40.903 0.842 17.367 1.00 0.00 H new ATOM 0 HA ARG A 11 38.989 -0.658 15.768 1.00 0.00 H new ATOM 0 HB2 ARG A 11 37.599 -1.127 17.777 1.00 0.00 H new ATOM 0 HB3 ARG A 11 39.090 -2.047 17.757 1.00 0.00 H new ATOM 0 HG2 ARG A 11 40.108 -0.394 19.334 1.00 0.00 H new ATOM 0 HG3 ARG A 11 38.589 0.478 19.380 1.00 0.00 H new ATOM 0 HD2 ARG A 11 38.674 -0.965 21.311 1.00 0.00 H new ATOM 0 HD3 ARG A 11 37.457 -1.596 20.219 1.00 0.00 H new ATOM 0 HE ARG A 11 40.101 -2.789 19.821 1.00 0.00 H new ATOM 0 HH11 ARG A 11 37.034 -2.958 21.572 1.00 0.00 H new ATOM 0 HH12 ARG A 11 37.241 -4.660 21.998 1.00 0.00 H new ATOM 0 HH21 ARG A 11 40.368 -4.964 20.389 1.00 0.00 H new ATOM 0 HH22 ARG A 11 39.123 -5.792 21.330 1.00 0.00 H new ATOM 428 N ILE A 12 37.247 1.198 16.472 1.00 0.00 N ATOM 429 CA ILE A 12 36.470 2.417 16.566 1.00 0.00 C ATOM 430 C ILE A 12 35.425 2.256 17.661 1.00 0.00 C ATOM 431 O ILE A 12 34.672 1.275 17.676 1.00 0.00 O ATOM 432 CB ILE A 12 35.778 2.772 15.222 1.00 0.00 C ATOM 433 CG1 ILE A 12 36.820 2.983 14.115 1.00 0.00 C ATOM 434 CG2 ILE A 12 34.905 4.014 15.373 1.00 0.00 C ATOM 435 CD1 ILE A 12 37.775 4.131 14.375 1.00 0.00 C ATOM 0 H ILE A 12 36.717 0.383 16.162 1.00 0.00 H new ATOM 0 HA ILE A 12 37.149 3.235 16.806 1.00 0.00 H new ATOM 0 HB ILE A 12 35.139 1.935 14.940 1.00 0.00 H new ATOM 0 HG12 ILE A 12 37.396 2.066 13.993 1.00 0.00 H new ATOM 0 HG13 ILE A 12 36.302 3.162 13.173 1.00 0.00 H new ATOM 0 HG21 ILE A 12 34.431 4.243 14.419 1.00 0.00 H new ATOM 0 HG22 ILE A 12 34.138 3.830 16.125 1.00 0.00 H new ATOM 0 HG23 ILE A 12 35.522 4.857 15.683 1.00 0.00 H new ATOM 0 HD11 ILE A 12 38.479 4.213 13.547 1.00 0.00 H new ATOM 0 HD12 ILE A 12 37.211 5.060 14.466 1.00 0.00 H new ATOM 0 HD13 ILE A 12 38.322 3.947 15.299 1.00 0.00 H new ATOM 447 N ARG A 13 35.391 3.201 18.577 1.00 0.00 N ATOM 448 CA ARG A 13 34.480 3.149 19.707 1.00 0.00 C ATOM 449 C ARG A 13 33.082 3.591 19.304 1.00 0.00 C ATOM 450 O ARG A 13 32.082 3.032 19.767 1.00 0.00 O ATOM 451 CB ARG A 13 34.997 4.025 20.849 1.00 0.00 C ATOM 452 CG ARG A 13 36.388 3.651 21.331 1.00 0.00 C ATOM 453 CD ARG A 13 36.759 4.402 22.601 1.00 0.00 C ATOM 454 NE ARG A 13 35.824 4.113 23.687 1.00 0.00 N ATOM 455 CZ ARG A 13 35.865 4.661 24.904 1.00 0.00 C ATOM 456 NH1 ARG A 13 36.826 5.518 25.235 1.00 0.00 N ATOM 457 NH2 ARG A 13 34.945 4.340 25.796 1.00 0.00 N ATOM 0 H ARG A 13 35.991 4.026 18.562 1.00 0.00 H new ATOM 0 HA ARG A 13 34.427 2.115 20.048 1.00 0.00 H new ATOM 0 HB2 ARG A 13 35.004 5.065 20.522 1.00 0.00 H new ATOM 0 HB3 ARG A 13 34.303 3.959 21.687 1.00 0.00 H new ATOM 0 HG2 ARG A 13 36.434 2.578 21.515 1.00 0.00 H new ATOM 0 HG3 ARG A 13 37.116 3.872 20.551 1.00 0.00 H new ATOM 0 HD2 ARG A 13 37.769 4.127 22.906 1.00 0.00 H new ATOM 0 HD3 ARG A 13 36.767 5.474 22.402 1.00 0.00 H new ATOM 0 HE ARG A 13 35.081 3.439 23.500 1.00 0.00 H new ATOM 0 HH11 ARG A 13 37.545 5.765 24.555 1.00 0.00 H new ATOM 0 HH12 ARG A 13 36.844 5.928 26.169 1.00 0.00 H new ATOM 0 HH21 ARG A 13 34.209 3.677 25.553 1.00 0.00 H new ATOM 0 HH22 ARG A 13 34.971 4.755 26.727 1.00 0.00 H new ATOM 471 N ASP A 14 33.012 4.587 18.443 1.00 0.00 N ATOM 472 CA ASP A 14 31.730 5.105 17.981 1.00 0.00 C ATOM 473 C ASP A 14 31.353 4.414 16.670 1.00 0.00 C ATOM 474 O ASP A 14 31.880 3.345 16.358 1.00 0.00 O ATOM 475 CB ASP A 14 31.816 6.631 17.794 1.00 0.00 C ATOM 476 CG ASP A 14 30.468 7.320 17.937 1.00 0.00 C ATOM 477 OD1 ASP A 14 29.692 7.342 16.957 1.00 0.00 O ATOM 478 OD2 ASP A 14 30.178 7.845 19.036 1.00 0.00 O ATOM 0 H ASP A 14 33.826 5.057 18.046 1.00 0.00 H new ATOM 0 HA ASP A 14 30.958 4.899 18.723 1.00 0.00 H new ATOM 0 HB2 ASP A 14 32.509 7.044 18.527 1.00 0.00 H new ATOM 0 HB3 ASP A 14 32.227 6.849 16.808 1.00 0.00 H new ATOM 483 N ARG A 15 30.447 5.004 15.915 1.00 0.00 N ATOM 484 CA ARG A 15 30.048 4.440 14.641 1.00 0.00 C ATOM 485 C ARG A 15 31.174 4.617 13.632 1.00 0.00 C ATOM 486 O ARG A 15 31.590 5.746 13.349 1.00 0.00 O ATOM 487 CB ARG A 15 28.744 5.102 14.139 1.00 0.00 C ATOM 488 CG ARG A 15 28.235 4.574 12.791 1.00 0.00 C ATOM 489 CD ARG A 15 28.866 5.308 11.606 1.00 0.00 C ATOM 490 NE ARG A 15 28.323 6.662 11.435 1.00 0.00 N ATOM 491 CZ ARG A 15 29.005 7.798 11.650 1.00 0.00 C ATOM 492 NH1 ARG A 15 30.251 7.762 12.117 1.00 0.00 N ATOM 493 NH2 ARG A 15 28.431 8.968 11.408 1.00 0.00 N ATOM 0 H ARG A 15 29.974 5.873 16.162 1.00 0.00 H new ATOM 0 HA ARG A 15 29.852 3.375 14.765 1.00 0.00 H new ATOM 0 HB2 ARG A 15 27.966 4.955 14.888 1.00 0.00 H new ATOM 0 HB3 ARG A 15 28.907 6.176 14.055 1.00 0.00 H new ATOM 0 HG2 ARG A 15 28.454 3.509 12.714 1.00 0.00 H new ATOM 0 HG3 ARG A 15 27.151 4.681 12.747 1.00 0.00 H new ATOM 0 HD2 ARG A 15 29.945 5.367 11.751 1.00 0.00 H new ATOM 0 HD3 ARG A 15 28.698 4.734 10.695 1.00 0.00 H new ATOM 0 HE ARG A 15 27.353 6.745 11.129 1.00 0.00 H new ATOM 0 HH11 ARG A 15 30.696 6.866 12.315 1.00 0.00 H new ATOM 0 HH12 ARG A 15 30.761 8.631 12.277 1.00 0.00 H new ATOM 0 HH21 ARG A 15 27.473 9.004 11.059 1.00 0.00 H new ATOM 0 HH22 ARG A 15 28.947 9.833 11.571 1.00 0.00 H new ATOM 507 N VAL A 16 31.674 3.519 13.098 1.00 0.00 N ATOM 508 CA VAL A 16 32.748 3.594 12.133 1.00 0.00 C ATOM 509 C VAL A 16 32.238 4.125 10.789 1.00 0.00 C ATOM 510 O VAL A 16 31.398 3.509 10.133 1.00 0.00 O ATOM 511 CB VAL A 16 33.472 2.222 11.955 1.00 0.00 C ATOM 512 CG1 VAL A 16 32.503 1.119 11.548 1.00 0.00 C ATOM 513 CG2 VAL A 16 34.606 2.339 10.951 1.00 0.00 C ATOM 0 H VAL A 16 31.356 2.574 13.315 1.00 0.00 H new ATOM 0 HA VAL A 16 33.485 4.297 12.522 1.00 0.00 H new ATOM 0 HB VAL A 16 33.892 1.947 12.923 1.00 0.00 H new ATOM 0 HG11 VAL A 16 33.046 0.181 11.435 1.00 0.00 H new ATOM 0 HG12 VAL A 16 31.738 1.005 12.316 1.00 0.00 H new ATOM 0 HG13 VAL A 16 32.030 1.381 10.602 1.00 0.00 H new ATOM 0 HG21 VAL A 16 35.097 1.372 10.842 1.00 0.00 H new ATOM 0 HG22 VAL A 16 34.207 2.654 9.987 1.00 0.00 H new ATOM 0 HG23 VAL A 16 35.329 3.075 11.303 1.00 0.00 H new ATOM 523 N ALA A 17 32.722 5.295 10.418 1.00 0.00 N ATOM 524 CA ALA A 17 32.344 5.927 9.170 1.00 0.00 C ATOM 525 C ALA A 17 33.221 5.441 8.028 1.00 0.00 C ATOM 526 O ALA A 17 34.290 4.866 8.257 1.00 0.00 O ATOM 527 CB ALA A 17 32.424 7.441 9.295 1.00 0.00 C ATOM 0 H ALA A 17 33.387 5.833 10.973 1.00 0.00 H new ATOM 0 HA ALA A 17 31.313 5.650 8.948 1.00 0.00 H new ATOM 0 HB1 ALA A 17 32.137 7.900 8.349 1.00 0.00 H new ATOM 0 HB2 ALA A 17 31.748 7.777 10.081 1.00 0.00 H new ATOM 0 HB3 ALA A 17 33.444 7.732 9.545 1.00 0.00 H new ATOM 533 N GLN A 18 32.781 5.706 6.807 1.00 0.00 N ATOM 534 CA GLN A 18 33.509 5.306 5.602 1.00 0.00 C ATOM 535 C GLN A 18 34.897 5.956 5.531 1.00 0.00 C ATOM 536 O GLN A 18 35.777 5.479 4.823 1.00 0.00 O ATOM 537 CB GLN A 18 32.703 5.677 4.357 1.00 0.00 C ATOM 538 CG GLN A 18 32.460 7.172 4.208 1.00 0.00 C ATOM 539 CD GLN A 18 31.673 7.518 2.967 1.00 0.00 C ATOM 540 OE1 GLN A 18 30.835 6.743 2.511 1.00 0.00 O ATOM 541 NE2 GLN A 18 31.945 8.674 2.402 1.00 0.00 N ATOM 0 H GLN A 18 31.911 6.204 6.619 1.00 0.00 H new ATOM 0 HA GLN A 18 33.647 4.226 5.645 1.00 0.00 H new ATOM 0 HB2 GLN A 18 33.228 5.313 3.474 1.00 0.00 H new ATOM 0 HB3 GLN A 18 31.742 5.163 4.391 1.00 0.00 H new ATOM 0 HG2 GLN A 18 31.925 7.537 5.085 1.00 0.00 H new ATOM 0 HG3 GLN A 18 33.419 7.690 4.180 1.00 0.00 H new ATOM 0 HE21 GLN A 18 32.648 9.289 2.812 1.00 0.00 H new ATOM 0 HE22 GLN A 18 31.453 8.955 1.554 1.00 0.00 H new ATOM 550 N ASP A 19 35.083 7.041 6.260 1.00 0.00 N ATOM 551 CA ASP A 19 36.360 7.742 6.253 1.00 0.00 C ATOM 552 C ASP A 19 37.319 7.139 7.267 1.00 0.00 C ATOM 553 O ASP A 19 38.442 6.766 6.932 1.00 0.00 O ATOM 554 CB ASP A 19 36.168 9.233 6.556 1.00 0.00 C ATOM 555 CG ASP A 19 35.293 9.933 5.539 1.00 0.00 C ATOM 556 OD1 ASP A 19 35.741 10.120 4.387 1.00 0.00 O ATOM 557 OD2 ASP A 19 34.152 10.313 5.893 1.00 0.00 O ATOM 0 H ASP A 19 34.372 7.457 6.862 1.00 0.00 H new ATOM 0 HA ASP A 19 36.786 7.634 5.255 1.00 0.00 H new ATOM 0 HB2 ASP A 19 35.725 9.343 7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 19 37.142 9.721 6.586 1.00 0.00 H new ATOM 562 N ILE A 20 36.861 7.010 8.503 1.00 0.00 N ATOM 563 CA ILE A 20 37.711 6.513 9.578 1.00 0.00 C ATOM 564 C ILE A 20 37.980 5.013 9.472 1.00 0.00 C ATOM 565 O ILE A 20 38.927 4.510 10.070 1.00 0.00 O ATOM 566 CB ILE A 20 37.154 6.860 10.979 1.00 0.00 C ATOM 567 CG1 ILE A 20 35.740 6.305 11.166 1.00 0.00 C ATOM 568 CG2 ILE A 20 37.172 8.367 11.193 1.00 0.00 C ATOM 569 CD1 ILE A 20 35.146 6.601 12.529 1.00 0.00 C ATOM 0 H ILE A 20 35.909 7.241 8.787 1.00 0.00 H new ATOM 0 HA ILE A 20 38.663 7.030 9.455 1.00 0.00 H new ATOM 0 HB ILE A 20 37.795 6.392 11.726 1.00 0.00 H new ATOM 0 HG12 ILE A 20 35.090 6.723 10.397 1.00 0.00 H new ATOM 0 HG13 ILE A 20 35.759 5.226 11.014 1.00 0.00 H new ATOM 0 HG21 ILE A 20 36.778 8.599 12.182 1.00 0.00 H new ATOM 0 HG22 ILE A 20 38.196 8.733 11.115 1.00 0.00 H new ATOM 0 HG23 ILE A 20 36.556 8.850 10.435 1.00 0.00 H new ATOM 0 HD11 ILE A 20 34.143 6.177 12.589 1.00 0.00 H new ATOM 0 HD12 ILE A 20 35.773 6.159 13.303 1.00 0.00 H new ATOM 0 HD13 ILE A 20 35.094 7.680 12.677 1.00 0.00 H new ATOM 581 N ILE A 21 37.161 4.300 8.699 1.00 0.00 N ATOM 582 CA ILE A 21 37.378 2.868 8.501 1.00 0.00 C ATOM 583 C ILE A 21 38.671 2.641 7.713 1.00 0.00 C ATOM 584 O ILE A 21 39.313 1.601 7.826 1.00 0.00 O ATOM 585 CB ILE A 21 36.181 2.186 7.773 1.00 0.00 C ATOM 586 CG1 ILE A 21 36.343 0.660 7.781 1.00 0.00 C ATOM 587 CG2 ILE A 21 36.050 2.698 6.345 1.00 0.00 C ATOM 588 CD1 ILE A 21 35.174 -0.085 7.167 1.00 0.00 C ATOM 0 H ILE A 21 36.354 4.683 8.207 1.00 0.00 H new ATOM 0 HA ILE A 21 37.462 2.410 9.486 1.00 0.00 H new ATOM 0 HB ILE A 21 35.269 2.441 8.312 1.00 0.00 H new ATOM 0 HG12 ILE A 21 37.252 0.398 7.240 1.00 0.00 H new ATOM 0 HG13 ILE A 21 36.476 0.324 8.809 1.00 0.00 H new ATOM 0 HG21 ILE A 21 35.207 2.207 5.858 1.00 0.00 H new ATOM 0 HG22 ILE A 21 35.884 3.775 6.359 1.00 0.00 H new ATOM 0 HG23 ILE A 21 36.965 2.479 5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 21 35.363 -1.158 7.210 1.00 0.00 H new ATOM 0 HD12 ILE A 21 34.264 0.145 7.721 1.00 0.00 H new ATOM 0 HD13 ILE A 21 35.053 0.221 6.128 1.00 0.00 H new ATOM 600 N GLN A 22 39.055 3.644 6.934 1.00 0.00 N ATOM 601 CA GLN A 22 40.276 3.585 6.154 1.00 0.00 C ATOM 602 C GLN A 22 41.476 3.794 7.064 1.00 0.00 C ATOM 603 O GLN A 22 42.564 3.276 6.819 1.00 0.00 O ATOM 604 CB GLN A 22 40.258 4.666 5.073 1.00 0.00 C ATOM 605 CG GLN A 22 41.417 4.585 4.092 1.00 0.00 C ATOM 606 CD GLN A 22 41.465 3.265 3.348 1.00 0.00 C ATOM 607 OE1 GLN A 22 42.102 2.309 3.792 1.00 0.00 O ATOM 608 NE2 GLN A 22 40.793 3.200 2.220 1.00 0.00 N ATOM 0 H GLN A 22 38.531 4.513 6.828 1.00 0.00 H new ATOM 0 HA GLN A 22 40.347 2.606 5.679 1.00 0.00 H new ATOM 0 HB2 GLN A 22 39.322 4.595 4.519 1.00 0.00 H new ATOM 0 HB3 GLN A 22 40.271 5.645 5.553 1.00 0.00 H new ATOM 0 HG2 GLN A 22 41.336 5.400 3.372 1.00 0.00 H new ATOM 0 HG3 GLN A 22 42.354 4.728 4.631 1.00 0.00 H new ATOM 0 HE21 GLN A 22 40.278 4.014 1.886 1.00 0.00 H new ATOM 0 HE22 GLN A 22 40.787 2.335 1.679 1.00 0.00 H new ATOM 617 N LYS A 23 41.251 4.537 8.129 1.00 0.00 N ATOM 618 CA LYS A 23 42.296 4.874 9.075 1.00 0.00 C ATOM 619 C LYS A 23 42.580 3.705 10.011 1.00 0.00 C ATOM 620 O LYS A 23 43.644 3.636 10.624 1.00 0.00 O ATOM 621 CB LYS A 23 41.889 6.113 9.870 1.00 0.00 C ATOM 622 CG LYS A 23 41.448 7.293 8.996 1.00 0.00 C ATOM 623 CD LYS A 23 42.611 8.202 8.578 1.00 0.00 C ATOM 624 CE LYS A 23 43.631 7.478 7.706 1.00 0.00 C ATOM 625 NZ LYS A 23 44.536 8.422 7.003 1.00 0.00 N ATOM 0 H LYS A 23 40.337 4.925 8.363 1.00 0.00 H new ATOM 0 HA LYS A 23 43.212 5.089 8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 23 41.075 5.849 10.545 1.00 0.00 H new ATOM 0 HB3 LYS A 23 42.728 6.427 10.491 1.00 0.00 H new ATOM 0 HG2 LYS A 23 40.955 6.911 8.102 1.00 0.00 H new ATOM 0 HG3 LYS A 23 40.710 7.884 9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 23 42.219 9.062 8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 23 43.107 8.586 9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 23 44.222 6.803 8.325 1.00 0.00 H new ATOM 0 HE3 LYS A 23 43.109 6.863 6.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 45.439 7.949 6.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 44.094 8.729 6.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 44.710 9.251 7.607 1.00 0.00 H new ATOM 639 N LEU A 24 41.620 2.789 10.115 1.00 0.00 N ATOM 640 CA LEU A 24 41.784 1.594 10.932 1.00 0.00 C ATOM 641 C LEU A 24 42.980 0.787 10.461 1.00 0.00 C ATOM 642 O LEU A 24 43.053 0.386 9.298 1.00 0.00 O ATOM 643 CB LEU A 24 40.518 0.727 10.897 1.00 0.00 C ATOM 644 CG LEU A 24 39.412 1.120 11.876 1.00 0.00 C ATOM 645 CD1 LEU A 24 38.158 0.305 11.612 1.00 0.00 C ATOM 646 CD2 LEU A 24 39.882 0.910 13.309 1.00 0.00 C ATOM 0 H LEU A 24 40.719 2.854 9.641 1.00 0.00 H new ATOM 0 HA LEU A 24 41.956 1.912 11.960 1.00 0.00 H new ATOM 0 HB2 LEU A 24 40.109 0.756 9.887 1.00 0.00 H new ATOM 0 HB3 LEU A 24 40.803 -0.306 11.097 1.00 0.00 H new ATOM 0 HG LEU A 24 39.178 2.175 11.732 1.00 0.00 H new ATOM 0 HD11 LEU A 24 37.380 0.596 12.317 1.00 0.00 H new ATOM 0 HD12 LEU A 24 37.813 0.488 10.594 1.00 0.00 H new ATOM 0 HD13 LEU A 24 38.380 -0.755 11.735 1.00 0.00 H new ATOM 0 HD21 LEU A 24 39.086 1.193 13.998 1.00 0.00 H new ATOM 0 HD22 LEU A 24 40.135 -0.140 13.459 1.00 0.00 H new ATOM 0 HD23 LEU A 24 40.761 1.526 13.497 1.00 0.00 H new ATOM 658 N GLY A 25 43.923 0.574 11.357 1.00 0.00 N ATOM 659 CA GLY A 25 45.101 -0.181 11.018 1.00 0.00 C ATOM 660 C GLY A 25 46.284 0.698 10.664 1.00 0.00 C ATOM 661 O GLY A 25 47.428 0.233 10.650 1.00 0.00 O ATOM 0 H GLY A 25 43.893 0.913 12.319 1.00 0.00 H new ATOM 0 HA2 GLY A 25 45.370 -0.822 11.858 1.00 0.00 H new ATOM 0 HA3 GLY A 25 44.877 -0.836 10.176 1.00 0.00 H new ATOM 665 N GLN A 26 46.020 1.965 10.386 1.00 0.00 N ATOM 666 CA GLN A 26 47.071 2.896 10.023 1.00 0.00 C ATOM 667 C GLN A 26 47.754 3.463 11.257 1.00 0.00 C ATOM 668 O GLN A 26 47.122 3.653 12.304 1.00 0.00 O ATOM 669 CB GLN A 26 46.519 4.031 9.157 1.00 0.00 C ATOM 670 CG GLN A 26 46.139 3.614 7.749 1.00 0.00 C ATOM 671 CD GLN A 26 45.831 4.803 6.859 1.00 0.00 C ATOM 672 OE1 GLN A 26 46.381 5.894 7.044 1.00 0.00 O ATOM 673 NE2 GLN A 26 44.962 4.610 5.893 1.00 0.00 N ATOM 0 H GLN A 26 45.084 2.371 10.406 1.00 0.00 H new ATOM 0 HA GLN A 26 47.813 2.345 9.444 1.00 0.00 H new ATOM 0 HB2 GLN A 26 45.642 4.453 9.648 1.00 0.00 H new ATOM 0 HB3 GLN A 26 47.265 4.824 9.100 1.00 0.00 H new ATOM 0 HG2 GLN A 26 46.953 3.037 7.311 1.00 0.00 H new ATOM 0 HG3 GLN A 26 45.269 2.958 7.789 1.00 0.00 H new ATOM 0 HE21 GLN A 26 44.529 3.694 5.772 1.00 0.00 H new ATOM 0 HE22 GLN A 26 44.720 5.376 5.264 1.00 0.00 H new ATOM 682 N VAL A 27 49.043 3.717 11.131 1.00 0.00 N ATOM 683 CA VAL A 27 49.831 4.285 12.209 1.00 0.00 C ATOM 684 C VAL A 27 50.042 5.782 11.967 1.00 0.00 C ATOM 685 O VAL A 27 50.424 6.193 10.866 1.00 0.00 O ATOM 686 CB VAL A 27 51.215 3.593 12.326 1.00 0.00 C ATOM 687 CG1 VAL A 27 52.023 4.175 13.479 1.00 0.00 C ATOM 688 CG2 VAL A 27 51.054 2.092 12.495 1.00 0.00 C ATOM 0 H VAL A 27 49.573 3.535 10.279 1.00 0.00 H new ATOM 0 HA VAL A 27 49.283 4.127 13.138 1.00 0.00 H new ATOM 0 HB VAL A 27 51.761 3.780 11.401 1.00 0.00 H new ATOM 0 HG11 VAL A 27 52.988 3.672 13.538 1.00 0.00 H new ATOM 0 HG12 VAL A 27 52.179 5.241 13.312 1.00 0.00 H new ATOM 0 HG13 VAL A 27 51.481 4.030 14.413 1.00 0.00 H new ATOM 0 HG21 VAL A 27 52.037 1.627 12.575 1.00 0.00 H new ATOM 0 HG22 VAL A 27 50.481 1.887 13.399 1.00 0.00 H new ATOM 0 HG23 VAL A 27 50.528 1.683 11.632 1.00 0.00 H new ATOM 698 N GLY A 28 49.790 6.584 12.979 1.00 0.00 N ATOM 699 CA GLY A 28 49.968 8.014 12.860 1.00 0.00 C ATOM 700 C GLY A 28 50.662 8.582 14.071 1.00 0.00 C ATOM 701 O GLY A 28 50.970 7.852 15.000 1.00 0.00 O ATOM 0 H GLY A 28 49.462 6.270 13.892 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.551 8.237 11.966 1.00 0.00 H new ATOM 0 HA3 GLY A 28 48.997 8.494 12.736 1.00 0.00 H new ATOM 705 N GLN A 29 50.898 9.873 14.075 1.00 0.00 N ATOM 706 CA GLN A 29 51.567 10.511 15.194 1.00 0.00 C ATOM 707 C GLN A 29 50.633 11.482 15.906 1.00 0.00 C ATOM 708 O GLN A 29 49.872 12.213 15.264 1.00 0.00 O ATOM 709 CB GLN A 29 52.834 11.233 14.722 1.00 0.00 C ATOM 710 CG GLN A 29 53.565 11.988 15.822 1.00 0.00 C ATOM 711 CD GLN A 29 54.866 12.603 15.347 1.00 0.00 C ATOM 712 OE1 GLN A 29 55.534 12.070 14.468 1.00 0.00 O ATOM 713 NE2 GLN A 29 55.224 13.734 15.920 1.00 0.00 N ATOM 0 H GLN A 29 50.638 10.506 13.318 1.00 0.00 H new ATOM 0 HA GLN A 29 51.854 9.735 15.904 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.514 10.502 14.284 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.567 11.934 13.931 1.00 0.00 H new ATOM 0 HG2 GLN A 29 52.917 12.774 16.209 1.00 0.00 H new ATOM 0 HG3 GLN A 29 53.770 11.308 16.649 1.00 0.00 H new ATOM 0 HE21 GLN A 29 54.639 14.144 16.648 1.00 0.00 H new ATOM 0 HE22 GLN A 29 56.086 14.199 15.636 1.00 0.00 H new ATOM 722 N ILE A 30 50.684 11.466 17.234 1.00 0.00 N ATOM 723 CA ILE A 30 49.885 12.366 18.045 1.00 0.00 C ATOM 724 C ILE A 30 50.378 13.792 17.872 1.00 0.00 C ATOM 725 O ILE A 30 51.488 14.133 18.303 1.00 0.00 O ATOM 726 CB ILE A 30 49.952 11.990 19.545 1.00 0.00 C ATOM 727 CG1 ILE A 30 49.447 10.562 19.760 1.00 0.00 C ATOM 728 CG2 ILE A 30 49.149 12.981 20.385 1.00 0.00 C ATOM 729 CD1 ILE A 30 49.524 10.096 21.199 1.00 0.00 C ATOM 0 H ILE A 30 51.277 10.833 17.771 1.00 0.00 H new ATOM 0 HA ILE A 30 48.851 12.281 17.711 1.00 0.00 H new ATOM 0 HB ILE A 30 50.992 12.038 19.867 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.413 10.498 19.422 1.00 0.00 H new ATOM 0 HG13 ILE A 30 50.029 9.883 19.137 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.209 12.699 21.436 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.557 13.983 20.254 1.00 0.00 H new ATOM 0 HG23 ILE A 30 48.107 12.969 20.065 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.149 9.075 21.271 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.560 10.126 21.536 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.919 10.750 21.826 1.00 0.00 H new ATOM 741 N THR A 31 49.575 14.610 17.230 1.00 0.00 N ATOM 742 CA THR A 31 49.934 15.984 16.988 1.00 0.00 C ATOM 743 C THR A 31 49.122 16.940 17.856 1.00 0.00 C ATOM 744 O THR A 31 49.403 18.142 17.907 1.00 0.00 O ATOM 745 CB THR A 31 49.759 16.338 15.509 1.00 0.00 C ATOM 746 OG1 THR A 31 48.473 15.889 15.045 1.00 0.00 O ATOM 747 CG2 THR A 31 50.855 15.693 14.673 1.00 0.00 C ATOM 0 H THR A 31 48.661 14.342 16.864 1.00 0.00 H new ATOM 0 HA THR A 31 50.984 16.096 17.257 1.00 0.00 H new ATOM 0 HB THR A 31 49.825 17.421 15.403 1.00 0.00 H new ATOM 0 HG1 THR A 31 48.513 15.723 14.080 1.00 0.00 H new ATOM 0 HG21 THR A 31 50.715 15.955 13.624 1.00 0.00 H new ATOM 0 HG22 THR A 31 51.828 16.051 15.010 1.00 0.00 H new ATOM 0 HG23 THR A 31 50.808 14.610 14.785 1.00 0.00 H new ATOM 755 N GLY A 32 48.124 16.406 18.541 1.00 0.00 N ATOM 756 CA GLY A 32 47.304 17.223 19.405 1.00 0.00 C ATOM 757 C GLY A 32 46.250 16.418 20.124 1.00 0.00 C ATOM 758 O GLY A 32 46.158 15.203 19.945 1.00 0.00 O ATOM 0 H GLY A 32 47.868 15.419 18.513 1.00 0.00 H new ATOM 0 HA2 GLY A 32 47.938 17.723 20.137 1.00 0.00 H new ATOM 0 HA3 GLY A 32 46.823 18.003 18.815 1.00 0.00 H new ATOM 762 N PHE A 33 45.460 17.089 20.934 1.00 0.00 N ATOM 763 CA PHE A 33 44.391 16.451 21.681 1.00 0.00 C ATOM 764 C PHE A 33 43.092 17.198 21.467 1.00 0.00 C ATOM 765 O PHE A 33 43.080 18.430 21.391 1.00 0.00 O ATOM 766 CB PHE A 33 44.726 16.390 23.180 1.00 0.00 C ATOM 767 CG PHE A 33 45.804 15.399 23.528 1.00 0.00 C ATOM 768 CD1 PHE A 33 45.491 14.067 23.744 1.00 0.00 C ATOM 769 CD2 PHE A 33 47.128 15.797 23.643 1.00 0.00 C ATOM 770 CE1 PHE A 33 46.471 13.149 24.067 1.00 0.00 C ATOM 771 CE2 PHE A 33 48.115 14.882 23.968 1.00 0.00 C ATOM 772 CZ PHE A 33 47.785 13.556 24.179 1.00 0.00 C ATOM 0 H PHE A 33 45.539 18.093 21.095 1.00 0.00 H new ATOM 0 HA PHE A 33 44.281 15.430 21.316 1.00 0.00 H new ATOM 0 HB2 PHE A 33 45.037 17.380 23.513 1.00 0.00 H new ATOM 0 HB3 PHE A 33 43.822 16.137 23.734 1.00 0.00 H new ATOM 0 HD1 PHE A 33 44.465 13.741 23.659 1.00 0.00 H new ATOM 0 HD2 PHE A 33 47.392 16.831 23.477 1.00 0.00 H new ATOM 0 HE1 PHE A 33 46.209 12.114 24.232 1.00 0.00 H new ATOM 0 HE2 PHE A 33 49.142 15.204 24.057 1.00 0.00 H new ATOM 0 HZ PHE A 33 48.554 12.840 24.431 1.00 0.00 H new ATOM 782 N LYS A 34 42.007 16.466 21.367 1.00 0.00 N ATOM 783 CA LYS A 34 40.718 17.062 21.128 1.00 0.00 C ATOM 784 C LYS A 34 39.804 16.836 22.321 1.00 0.00 C ATOM 785 O LYS A 34 39.462 15.699 22.647 1.00 0.00 O ATOM 786 CB LYS A 34 40.086 16.477 19.868 1.00 0.00 C ATOM 787 CG LYS A 34 38.932 17.296 19.341 1.00 0.00 C ATOM 788 CD LYS A 34 38.243 16.607 18.182 1.00 0.00 C ATOM 789 CE LYS A 34 36.987 17.352 17.758 1.00 0.00 C ATOM 790 NZ LYS A 34 37.272 18.753 17.367 1.00 0.00 N ATOM 0 H LYS A 34 41.994 15.449 21.449 1.00 0.00 H new ATOM 0 HA LYS A 34 40.854 18.134 20.986 1.00 0.00 H new ATOM 0 HB2 LYS A 34 40.848 16.395 19.093 1.00 0.00 H new ATOM 0 HB3 LYS A 34 39.738 15.466 20.081 1.00 0.00 H new ATOM 0 HG2 LYS A 34 38.213 17.470 20.141 1.00 0.00 H new ATOM 0 HG3 LYS A 34 39.295 18.273 19.021 1.00 0.00 H new ATOM 0 HD2 LYS A 34 38.929 16.539 17.338 1.00 0.00 H new ATOM 0 HD3 LYS A 34 37.984 15.587 18.466 1.00 0.00 H new ATOM 0 HE2 LYS A 34 36.522 16.830 16.921 1.00 0.00 H new ATOM 0 HE3 LYS A 34 36.268 17.344 18.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 36.426 19.170 16.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 37.531 19.303 18.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 38.059 18.771 16.688 1.00 0.00 H new ATOM 804 N MET A 35 39.423 17.916 22.973 1.00 0.00 N ATOM 805 CA MET A 35 38.553 17.837 24.134 1.00 0.00 C ATOM 806 C MET A 35 37.136 17.406 23.738 1.00 0.00 C ATOM 807 O MET A 35 36.359 18.184 23.172 1.00 0.00 O ATOM 808 CB MET A 35 38.534 19.175 24.900 1.00 0.00 C ATOM 809 CG MET A 35 38.115 20.378 24.062 1.00 0.00 C ATOM 810 SD MET A 35 38.149 21.919 24.995 1.00 0.00 S ATOM 811 CE MET A 35 37.557 23.069 23.759 1.00 0.00 C ATOM 0 H MET A 35 39.702 18.863 22.719 1.00 0.00 H new ATOM 0 HA MET A 35 38.955 17.074 24.801 1.00 0.00 H new ATOM 0 HB2 MET A 35 37.855 19.084 25.747 1.00 0.00 H new ATOM 0 HB3 MET A 35 39.528 19.360 25.307 1.00 0.00 H new ATOM 0 HG2 MET A 35 38.777 20.464 23.201 1.00 0.00 H new ATOM 0 HG3 MET A 35 37.109 20.214 23.675 1.00 0.00 H new ATOM 0 HE1 MET A 35 37.521 24.072 24.183 1.00 0.00 H new ATOM 0 HE2 MET A 35 38.231 23.061 22.902 1.00 0.00 H new ATOM 0 HE3 MET A 35 36.558 22.775 23.437 1.00 0.00 H new ATOM 821 N THR A 36 36.828 16.158 24.005 1.00 0.00 N ATOM 822 CA THR A 36 35.524 15.600 23.724 1.00 0.00 C ATOM 823 C THR A 36 34.856 15.158 25.020 1.00 0.00 C ATOM 824 O THR A 36 35.535 14.911 26.022 1.00 0.00 O ATOM 825 CB THR A 36 35.636 14.407 22.757 1.00 0.00 C ATOM 826 OG1 THR A 36 36.770 13.611 23.115 1.00 0.00 O ATOM 827 CG2 THR A 36 35.782 14.885 21.320 1.00 0.00 C ATOM 0 H THR A 36 37.480 15.496 24.426 1.00 0.00 H new ATOM 0 HA THR A 36 34.916 16.371 23.251 1.00 0.00 H new ATOM 0 HB THR A 36 34.725 13.812 22.831 1.00 0.00 H new ATOM 0 HG1 THR A 36 36.467 12.736 23.435 1.00 0.00 H new ATOM 0 HG21 THR A 36 35.859 14.024 20.656 1.00 0.00 H new ATOM 0 HG22 THR A 36 34.911 15.479 21.044 1.00 0.00 H new ATOM 0 HG23 THR A 36 36.681 15.495 21.229 1.00 0.00 H new ATOM 835 N ASP A 37 33.539 15.056 25.007 1.00 0.00 N ATOM 836 CA ASP A 37 32.790 14.698 26.204 1.00 0.00 C ATOM 837 C ASP A 37 32.415 13.230 26.197 1.00 0.00 C ATOM 838 O ASP A 37 32.890 12.453 27.027 1.00 0.00 O ATOM 839 CB ASP A 37 31.516 15.538 26.321 1.00 0.00 C ATOM 840 CG ASP A 37 31.777 17.023 26.327 1.00 0.00 C ATOM 841 OD1 ASP A 37 32.081 17.577 27.404 1.00 0.00 O ATOM 842 OD2 ASP A 37 31.653 17.651 25.258 1.00 0.00 O ATOM 0 H ASP A 37 32.963 15.216 24.181 1.00 0.00 H new ATOM 0 HA ASP A 37 33.435 14.897 27.060 1.00 0.00 H new ATOM 0 HB2 ASP A 37 30.853 15.296 25.490 1.00 0.00 H new ATOM 0 HB3 ASP A 37 30.992 15.265 27.237 1.00 0.00 H new ATOM 847 N GLY A 38 31.571 12.855 25.250 1.00 0.00 N ATOM 848 CA GLY A 38 31.082 11.495 25.177 1.00 0.00 C ATOM 849 C GLY A 38 32.142 10.503 24.760 1.00 0.00 C ATOM 850 O GLY A 38 33.082 10.855 24.041 1.00 0.00 O ATOM 0 H GLY A 38 31.213 13.475 24.524 1.00 0.00 H new ATOM 0 HA2 GLY A 38 30.686 11.206 26.150 1.00 0.00 H new ATOM 0 HA3 GLY A 38 30.254 11.451 24.470 1.00 0.00 H new ATOM 854 N SER A 39 31.986 9.259 25.230 1.00 0.00 N ATOM 855 CA SER A 39 32.890 8.150 24.918 1.00 0.00 C ATOM 856 C SER A 39 34.244 8.291 25.625 1.00 0.00 C ATOM 857 O SER A 39 34.648 7.412 26.385 1.00 0.00 O ATOM 858 CB SER A 39 33.068 8.008 23.403 1.00 0.00 C ATOM 859 OG SER A 39 31.802 7.903 22.763 1.00 0.00 O ATOM 0 H SER A 39 31.217 8.993 25.846 1.00 0.00 H new ATOM 0 HA SER A 39 32.430 7.238 25.298 1.00 0.00 H new ATOM 0 HB2 SER A 39 33.610 8.869 23.012 1.00 0.00 H new ATOM 0 HB3 SER A 39 33.669 7.126 23.182 1.00 0.00 H new ATOM 0 HG SER A 39 31.931 7.815 21.796 1.00 0.00 H new ATOM 865 N GLY A 40 34.919 9.393 25.387 1.00 0.00 N ATOM 866 CA GLY A 40 36.204 9.627 25.991 1.00 0.00 C ATOM 867 C GLY A 40 36.857 10.845 25.405 1.00 0.00 C ATOM 868 O GLY A 40 36.191 11.651 24.755 1.00 0.00 O ATOM 0 H GLY A 40 34.594 10.142 24.776 1.00 0.00 H new ATOM 0 HA2 GLY A 40 36.087 9.754 27.067 1.00 0.00 H new ATOM 0 HA3 GLY A 40 36.845 8.758 25.841 1.00 0.00 H new ATOM 872 N VAL A 41 38.146 10.989 25.622 1.00 0.00 N ATOM 873 CA VAL A 41 38.881 12.122 25.088 1.00 0.00 C ATOM 874 C VAL A 41 39.532 11.740 23.766 1.00 0.00 C ATOM 875 O VAL A 41 40.163 10.686 23.658 1.00 0.00 O ATOM 876 CB VAL A 41 39.957 12.623 26.081 1.00 0.00 C ATOM 877 CG1 VAL A 41 40.725 13.808 25.504 1.00 0.00 C ATOM 878 CG2 VAL A 41 39.317 12.999 27.411 1.00 0.00 C ATOM 0 H VAL A 41 38.711 10.336 26.165 1.00 0.00 H new ATOM 0 HA VAL A 41 38.173 12.934 24.926 1.00 0.00 H new ATOM 0 HB VAL A 41 40.666 11.812 26.251 1.00 0.00 H new ATOM 0 HG11 VAL A 41 41.475 14.140 26.222 1.00 0.00 H new ATOM 0 HG12 VAL A 41 41.217 13.507 24.579 1.00 0.00 H new ATOM 0 HG13 VAL A 41 40.033 14.625 25.298 1.00 0.00 H new ATOM 0 HG21 VAL A 41 40.086 13.349 28.099 1.00 0.00 H new ATOM 0 HG22 VAL A 41 38.585 13.791 27.252 1.00 0.00 H new ATOM 0 HG23 VAL A 41 38.821 12.126 27.836 1.00 0.00 H new ATOM 888 N GLY A 42 39.358 12.582 22.767 1.00 0.00 N ATOM 889 CA GLY A 42 39.899 12.301 21.469 1.00 0.00 C ATOM 890 C GLY A 42 41.310 12.808 21.295 1.00 0.00 C ATOM 891 O GLY A 42 41.685 13.845 21.837 1.00 0.00 O ATOM 0 H GLY A 42 38.847 13.462 22.837 1.00 0.00 H new ATOM 0 HA2 GLY A 42 39.882 11.224 21.300 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.260 12.753 20.710 1.00 0.00 H new ATOM 895 N VAL A 43 42.085 12.071 20.551 1.00 0.00 N ATOM 896 CA VAL A 43 43.453 12.416 20.261 1.00 0.00 C ATOM 897 C VAL A 43 43.586 12.739 18.778 1.00 0.00 C ATOM 898 O VAL A 43 43.250 11.914 17.931 1.00 0.00 O ATOM 899 CB VAL A 43 44.399 11.241 20.608 1.00 0.00 C ATOM 900 CG1 VAL A 43 45.847 11.619 20.352 1.00 0.00 C ATOM 901 CG2 VAL A 43 44.206 10.799 22.054 1.00 0.00 C ATOM 0 H VAL A 43 41.781 11.198 20.120 1.00 0.00 H new ATOM 0 HA VAL A 43 43.729 13.281 20.864 1.00 0.00 H new ATOM 0 HB VAL A 43 44.147 10.402 19.959 1.00 0.00 H new ATOM 0 HG11 VAL A 43 46.493 10.777 20.603 1.00 0.00 H new ATOM 0 HG12 VAL A 43 45.976 11.874 19.300 1.00 0.00 H new ATOM 0 HG13 VAL A 43 46.113 12.477 20.969 1.00 0.00 H new ATOM 0 HG21 VAL A 43 44.881 9.972 22.275 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.423 11.633 22.721 1.00 0.00 H new ATOM 0 HG23 VAL A 43 43.176 10.475 22.201 1.00 0.00 H new ATOM 911 N ILE A 44 44.059 13.931 18.464 1.00 0.00 N ATOM 912 CA ILE A 44 44.227 14.333 17.080 1.00 0.00 C ATOM 913 C ILE A 44 45.509 13.733 16.516 1.00 0.00 C ATOM 914 O ILE A 44 46.623 14.143 16.874 1.00 0.00 O ATOM 915 CB ILE A 44 44.229 15.873 16.919 1.00 0.00 C ATOM 916 CG1 ILE A 44 42.895 16.451 17.401 1.00 0.00 C ATOM 917 CG2 ILE A 44 44.483 16.259 15.464 1.00 0.00 C ATOM 918 CD1 ILE A 44 42.817 17.962 17.322 1.00 0.00 C ATOM 0 H ILE A 44 44.333 14.637 19.148 1.00 0.00 H new ATOM 0 HA ILE A 44 43.374 13.953 16.517 1.00 0.00 H new ATOM 0 HB ILE A 44 45.033 16.288 17.527 1.00 0.00 H new ATOM 0 HG12 ILE A 44 42.088 16.024 16.805 1.00 0.00 H new ATOM 0 HG13 ILE A 44 42.728 16.142 18.433 1.00 0.00 H new ATOM 0 HG21 ILE A 44 44.481 17.345 15.370 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.451 15.869 15.148 1.00 0.00 H new ATOM 0 HG23 ILE A 44 43.699 15.839 14.834 1.00 0.00 H new ATOM 0 HD11 ILE A 44 41.843 18.295 17.680 1.00 0.00 H new ATOM 0 HD12 ILE A 44 43.600 18.400 17.941 1.00 0.00 H new ATOM 0 HD13 ILE A 44 42.951 18.280 16.288 1.00 0.00 H new ATOM 930 N VAL A 45 45.344 12.749 15.655 1.00 0.00 N ATOM 931 CA VAL A 45 46.457 12.023 15.086 1.00 0.00 C ATOM 932 C VAL A 45 46.651 12.368 13.613 1.00 0.00 C ATOM 933 O VAL A 45 45.701 12.344 12.828 1.00 0.00 O ATOM 934 CB VAL A 45 46.228 10.497 15.213 1.00 0.00 C ATOM 935 CG1 VAL A 45 47.420 9.719 14.688 1.00 0.00 C ATOM 936 CG2 VAL A 45 45.927 10.117 16.654 1.00 0.00 C ATOM 0 H VAL A 45 44.431 12.431 15.331 1.00 0.00 H new ATOM 0 HA VAL A 45 47.350 12.313 15.640 1.00 0.00 H new ATOM 0 HB VAL A 45 45.364 10.235 14.602 1.00 0.00 H new ATOM 0 HG11 VAL A 45 47.231 8.650 14.790 1.00 0.00 H new ATOM 0 HG12 VAL A 45 47.578 9.961 13.637 1.00 0.00 H new ATOM 0 HG13 VAL A 45 48.309 9.986 15.259 1.00 0.00 H new ATOM 0 HG21 VAL A 45 45.769 9.041 16.721 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.767 10.401 17.288 1.00 0.00 H new ATOM 0 HG23 VAL A 45 45.029 10.637 16.987 1.00 0.00 H new ATOM 946 N THR A 46 47.872 12.696 13.249 1.00 0.00 N ATOM 947 CA THR A 46 48.205 12.973 11.870 1.00 0.00 C ATOM 948 C THR A 46 48.957 11.777 11.285 1.00 0.00 C ATOM 949 O THR A 46 49.991 11.360 11.819 1.00 0.00 O ATOM 950 CB THR A 46 49.056 14.256 11.741 1.00 0.00 C ATOM 951 OG1 THR A 46 48.356 15.356 12.348 1.00 0.00 O ATOM 952 CG2 THR A 46 49.329 14.582 10.277 1.00 0.00 C ATOM 0 H THR A 46 48.656 12.778 13.896 1.00 0.00 H new ATOM 0 HA THR A 46 47.281 13.136 11.315 1.00 0.00 H new ATOM 0 HB THR A 46 50.008 14.092 12.245 1.00 0.00 H new ATOM 0 HG1 THR A 46 48.895 16.171 12.269 1.00 0.00 H new ATOM 0 HG21 THR A 46 49.930 15.489 10.212 1.00 0.00 H new ATOM 0 HG22 THR A 46 49.869 13.756 9.815 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.384 14.735 9.756 1.00 0.00 H new ATOM 960 N PHE A 47 48.425 11.216 10.212 1.00 0.00 N ATOM 961 CA PHE A 47 49.002 10.027 9.601 1.00 0.00 C ATOM 962 C PHE A 47 50.008 10.387 8.514 1.00 0.00 C ATOM 963 O PHE A 47 50.177 11.559 8.168 1.00 0.00 O ATOM 964 CB PHE A 47 47.899 9.131 9.030 1.00 0.00 C ATOM 965 CG PHE A 47 46.922 8.642 10.063 1.00 0.00 C ATOM 966 CD1 PHE A 47 45.831 9.417 10.426 1.00 0.00 C ATOM 967 CD2 PHE A 47 47.096 7.413 10.671 1.00 0.00 C ATOM 968 CE1 PHE A 47 44.934 8.973 11.374 1.00 0.00 C ATOM 969 CE2 PHE A 47 46.202 6.961 11.621 1.00 0.00 C ATOM 970 CZ PHE A 47 45.121 7.742 11.973 1.00 0.00 C ATOM 0 H PHE A 47 47.590 11.566 9.743 1.00 0.00 H new ATOM 0 HA PHE A 47 49.535 9.481 10.379 1.00 0.00 H new ATOM 0 HB2 PHE A 47 47.357 9.682 8.262 1.00 0.00 H new ATOM 0 HB3 PHE A 47 48.358 8.272 8.541 1.00 0.00 H new ATOM 0 HD1 PHE A 47 45.682 10.380 9.960 1.00 0.00 H new ATOM 0 HD2 PHE A 47 47.942 6.799 10.400 1.00 0.00 H new ATOM 0 HE1 PHE A 47 44.088 9.586 11.648 1.00 0.00 H new ATOM 0 HE2 PHE A 47 46.349 5.998 12.087 1.00 0.00 H new ATOM 0 HZ PHE A 47 44.421 7.391 12.717 1.00 0.00 H new ATOM 980 N ASP A 48 50.653 9.369 7.964 1.00 0.00 N ATOM 981 CA ASP A 48 51.692 9.549 6.947 1.00 0.00 C ATOM 982 C ASP A 48 51.098 9.844 5.574 1.00 0.00 C ATOM 983 O ASP A 48 51.823 10.111 4.618 1.00 0.00 O ATOM 984 CB ASP A 48 52.575 8.307 6.868 1.00 0.00 C ATOM 985 CG ASP A 48 51.857 7.110 6.275 1.00 0.00 C ATOM 986 OD1 ASP A 48 50.864 6.645 6.881 1.00 0.00 O ATOM 987 OD2 ASP A 48 52.295 6.610 5.214 1.00 0.00 O ATOM 0 H ASP A 48 50.475 8.394 8.206 1.00 0.00 H new ATOM 0 HA ASP A 48 52.293 10.408 7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 48 53.456 8.531 6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 48 52.928 8.054 7.868 1.00 0.00 H new ATOM 992 N ASP A 49 49.781 9.800 5.478 1.00 0.00 N ATOM 993 CA ASP A 49 49.101 10.082 4.220 1.00 0.00 C ATOM 994 C ASP A 49 48.676 11.547 4.169 1.00 0.00 C ATOM 995 O ASP A 49 47.864 11.948 3.328 1.00 0.00 O ATOM 996 CB ASP A 49 47.886 9.159 4.038 1.00 0.00 C ATOM 997 CG ASP A 49 46.718 9.518 4.933 1.00 0.00 C ATOM 998 OD1 ASP A 49 46.917 9.664 6.154 1.00 0.00 O ATOM 999 OD2 ASP A 49 45.584 9.634 4.415 1.00 0.00 O ATOM 0 H ASP A 49 49.159 9.572 6.254 1.00 0.00 H new ATOM 0 HA ASP A 49 49.795 9.891 3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 49 47.562 9.198 2.998 1.00 0.00 H new ATOM 0 HB3 ASP A 49 48.187 8.131 4.240 1.00 0.00 H new ATOM 1004 N ARG A 50 49.250 12.339 5.088 1.00 0.00 N ATOM 1005 CA ARG A 50 49.007 13.786 5.185 1.00 0.00 C ATOM 1006 C ARG A 50 47.590 14.100 5.662 1.00 0.00 C ATOM 1007 O ARG A 50 47.118 15.231 5.529 1.00 0.00 O ATOM 1008 CB ARG A 50 49.307 14.490 3.851 1.00 0.00 C ATOM 1009 CG ARG A 50 50.762 14.374 3.412 1.00 0.00 C ATOM 1010 CD ARG A 50 51.006 15.044 2.066 1.00 0.00 C ATOM 1011 NE ARG A 50 50.737 16.486 2.104 1.00 0.00 N ATOM 1012 CZ ARG A 50 51.421 17.402 1.408 1.00 0.00 C ATOM 1013 NH1 ARG A 50 52.428 17.036 0.619 1.00 0.00 N ATOM 1014 NH2 ARG A 50 51.095 18.687 1.507 1.00 0.00 N ATOM 0 H ARG A 50 49.902 11.989 5.791 1.00 0.00 H new ATOM 0 HA ARG A 50 49.694 14.174 5.937 1.00 0.00 H new ATOM 0 HB2 ARG A 50 48.668 14.068 3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 50 49.046 15.545 3.940 1.00 0.00 H new ATOM 0 HG2 ARG A 50 51.405 14.828 4.165 1.00 0.00 H new ATOM 0 HG3 ARG A 50 51.039 13.322 3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 50 52.039 14.877 1.762 1.00 0.00 H new ATOM 0 HD3 ARG A 50 50.373 14.578 1.311 1.00 0.00 H new ATOM 0 HE ARG A 50 49.977 16.812 2.701 1.00 0.00 H new ATOM 0 HH11 ARG A 50 52.683 16.052 0.541 1.00 0.00 H new ATOM 0 HH12 ARG A 50 52.945 17.740 0.092 1.00 0.00 H new ATOM 0 HH21 ARG A 50 50.325 18.973 2.112 1.00 0.00 H new ATOM 0 HH22 ARG A 50 51.615 19.387 0.978 1.00 0.00 H new ATOM 1028 N SER A 51 46.927 13.114 6.236 1.00 0.00 N ATOM 1029 CA SER A 51 45.586 13.304 6.751 1.00 0.00 C ATOM 1030 C SER A 51 45.582 13.209 8.270 1.00 0.00 C ATOM 1031 O SER A 51 46.256 12.353 8.851 1.00 0.00 O ATOM 1032 CB SER A 51 44.641 12.260 6.165 1.00 0.00 C ATOM 1033 OG SER A 51 44.744 12.215 4.754 1.00 0.00 O ATOM 0 H SER A 51 47.297 12.171 6.357 1.00 0.00 H new ATOM 0 HA SER A 51 45.243 14.297 6.459 1.00 0.00 H new ATOM 0 HB2 SER A 51 44.874 11.280 6.581 1.00 0.00 H new ATOM 0 HB3 SER A 51 43.615 12.492 6.451 1.00 0.00 H new ATOM 0 HG SER A 51 44.889 11.290 4.466 1.00 0.00 H new ATOM 1039 N SER A 52 44.838 14.086 8.910 1.00 0.00 N ATOM 1040 CA SER A 52 44.734 14.074 10.351 1.00 0.00 C ATOM 1041 C SER A 52 43.311 13.742 10.776 1.00 0.00 C ATOM 1042 O SER A 52 42.341 14.182 10.148 1.00 0.00 O ATOM 1043 CB SER A 52 45.177 15.420 10.935 1.00 0.00 C ATOM 1044 OG SER A 52 44.462 16.496 10.350 1.00 0.00 O ATOM 0 H SER A 52 44.295 14.818 8.452 1.00 0.00 H new ATOM 0 HA SER A 52 45.397 13.302 10.740 1.00 0.00 H new ATOM 0 HB2 SER A 52 45.020 15.420 12.014 1.00 0.00 H new ATOM 0 HB3 SER A 52 46.245 15.557 10.768 1.00 0.00 H new ATOM 0 HG SER A 52 44.764 17.341 10.743 1.00 0.00 H new ATOM 1050 N THR A 53 43.186 12.945 11.810 1.00 0.00 N ATOM 1051 CA THR A 53 41.893 12.552 12.325 1.00 0.00 C ATOM 1052 C THR A 53 41.993 12.319 13.828 1.00 0.00 C ATOM 1053 O THR A 53 43.038 11.897 14.324 1.00 0.00 O ATOM 1054 CB THR A 53 41.390 11.261 11.631 1.00 0.00 C ATOM 1055 OG1 THR A 53 41.546 11.382 10.209 1.00 0.00 O ATOM 1056 CG2 THR A 53 39.924 11.009 11.950 1.00 0.00 C ATOM 0 H THR A 53 43.977 12.550 12.319 1.00 0.00 H new ATOM 0 HA THR A 53 41.182 13.352 12.121 1.00 0.00 H new ATOM 0 HB THR A 53 41.981 10.424 12.002 1.00 0.00 H new ATOM 0 HG1 THR A 53 41.228 10.563 9.774 1.00 0.00 H new ATOM 0 HG21 THR A 53 39.595 10.097 11.451 1.00 0.00 H new ATOM 0 HG22 THR A 53 39.800 10.899 13.027 1.00 0.00 H new ATOM 0 HG23 THR A 53 39.326 11.850 11.600 1.00 0.00 H new ATOM 1064 N TRP A 54 40.934 12.613 14.546 1.00 0.00 N ATOM 1065 CA TRP A 54 40.930 12.430 15.977 1.00 0.00 C ATOM 1066 C TRP A 54 40.322 11.088 16.349 1.00 0.00 C ATOM 1067 O TRP A 54 39.290 10.692 15.811 1.00 0.00 O ATOM 1068 CB TRP A 54 40.192 13.581 16.679 1.00 0.00 C ATOM 1069 CG TRP A 54 38.760 13.740 16.260 1.00 0.00 C ATOM 1070 CD1 TRP A 54 38.297 14.367 15.141 1.00 0.00 C ATOM 1071 CD2 TRP A 54 37.602 13.274 16.965 1.00 0.00 C ATOM 1072 NE1 TRP A 54 36.929 14.314 15.102 1.00 0.00 N ATOM 1073 CE2 TRP A 54 36.477 13.649 16.212 1.00 0.00 C ATOM 1074 CE3 TRP A 54 37.411 12.573 18.159 1.00 0.00 C ATOM 1075 CZ2 TRP A 54 35.179 13.349 16.611 1.00 0.00 C ATOM 1076 CZ3 TRP A 54 36.123 12.276 18.555 1.00 0.00 C ATOM 1077 CH2 TRP A 54 35.021 12.662 17.784 1.00 0.00 C ATOM 0 H TRP A 54 40.064 12.980 14.161 1.00 0.00 H new ATOM 0 HA TRP A 54 41.965 12.439 16.319 1.00 0.00 H new ATOM 0 HB2 TRP A 54 40.228 13.417 17.756 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.722 14.512 16.481 1.00 0.00 H new ATOM 0 HD1 TRP A 54 38.919 14.837 14.394 1.00 0.00 H new ATOM 0 HE1 TRP A 54 36.342 14.706 14.366 1.00 0.00 H new ATOM 0 HE3 TRP A 54 38.255 12.270 18.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 34.327 13.647 16.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 35.963 11.736 19.476 1.00 0.00 H new ATOM 0 HH2 TRP A 54 34.026 12.413 18.121 1.00 0.00 H new ATOM 1088 N PHE A 55 40.986 10.391 17.242 1.00 0.00 N ATOM 1089 CA PHE A 55 40.531 9.097 17.714 1.00 0.00 C ATOM 1090 C PHE A 55 40.604 9.050 19.222 1.00 0.00 C ATOM 1091 O PHE A 55 41.488 9.652 19.817 1.00 0.00 O ATOM 1092 CB PHE A 55 41.378 7.982 17.112 1.00 0.00 C ATOM 1093 CG PHE A 55 41.171 7.805 15.638 1.00 0.00 C ATOM 1094 CD1 PHE A 55 40.047 7.154 15.161 1.00 0.00 C ATOM 1095 CD2 PHE A 55 42.093 8.295 14.730 1.00 0.00 C ATOM 1096 CE1 PHE A 55 39.847 6.994 13.808 1.00 0.00 C ATOM 1097 CE2 PHE A 55 41.894 8.138 13.375 1.00 0.00 C ATOM 1098 CZ PHE A 55 40.770 7.486 12.913 1.00 0.00 C ATOM 0 H PHE A 55 41.860 10.704 17.665 1.00 0.00 H new ATOM 0 HA PHE A 55 39.497 8.951 17.401 1.00 0.00 H new ATOM 0 HB2 PHE A 55 42.431 8.194 17.300 1.00 0.00 H new ATOM 0 HB3 PHE A 55 41.145 7.045 17.619 1.00 0.00 H new ATOM 0 HD1 PHE A 55 39.318 6.767 15.858 1.00 0.00 H new ATOM 0 HD2 PHE A 55 42.976 8.805 15.086 1.00 0.00 H new ATOM 0 HE1 PHE A 55 38.966 6.483 13.449 1.00 0.00 H new ATOM 0 HE2 PHE A 55 42.619 8.526 12.675 1.00 0.00 H new ATOM 0 HZ PHE A 55 40.614 7.362 11.852 1.00 0.00 H new ATOM 1108 N PHE A 56 39.687 8.340 19.835 1.00 0.00 N ATOM 1109 CA PHE A 56 39.624 8.273 21.288 1.00 0.00 C ATOM 1110 C PHE A 56 40.845 7.575 21.895 1.00 0.00 C ATOM 1111 O PHE A 56 41.551 6.814 21.229 1.00 0.00 O ATOM 1112 CB PHE A 56 38.330 7.599 21.751 1.00 0.00 C ATOM 1113 CG PHE A 56 37.087 8.356 21.375 1.00 0.00 C ATOM 1114 CD1 PHE A 56 36.746 9.524 22.038 1.00 0.00 C ATOM 1115 CD2 PHE A 56 36.261 7.905 20.357 1.00 0.00 C ATOM 1116 CE1 PHE A 56 35.608 10.225 21.694 1.00 0.00 C ATOM 1117 CE2 PHE A 56 35.122 8.603 20.009 1.00 0.00 C ATOM 1118 CZ PHE A 56 34.795 9.765 20.679 1.00 0.00 C ATOM 0 H PHE A 56 38.969 7.797 19.355 1.00 0.00 H new ATOM 0 HA PHE A 56 39.630 9.301 21.650 1.00 0.00 H new ATOM 0 HB2 PHE A 56 38.279 6.598 21.323 1.00 0.00 H new ATOM 0 HB3 PHE A 56 38.359 7.481 22.834 1.00 0.00 H new ATOM 0 HD1 PHE A 56 37.378 9.890 22.833 1.00 0.00 H new ATOM 0 HD2 PHE A 56 36.512 6.996 19.830 1.00 0.00 H new ATOM 0 HE1 PHE A 56 35.354 11.134 22.219 1.00 0.00 H new ATOM 0 HE2 PHE A 56 34.488 8.241 19.214 1.00 0.00 H new ATOM 0 HZ PHE A 56 33.904 10.313 20.409 1.00 0.00 H new ATOM 1128 N GLU A 57 41.072 7.853 23.164 1.00 0.00 N ATOM 1129 CA GLU A 57 42.196 7.307 23.927 1.00 0.00 C ATOM 1130 C GLU A 57 42.274 5.771 23.878 1.00 0.00 C ATOM 1131 O GLU A 57 43.338 5.209 23.642 1.00 0.00 O ATOM 1132 CB GLU A 57 42.142 7.808 25.389 1.00 0.00 C ATOM 1133 CG GLU A 57 40.759 8.302 25.857 1.00 0.00 C ATOM 1134 CD GLU A 57 39.715 7.203 25.980 1.00 0.00 C ATOM 1135 OE1 GLU A 57 39.190 6.754 24.940 1.00 0.00 O ATOM 1136 OE2 GLU A 57 39.403 6.798 27.120 1.00 0.00 O ATOM 0 H GLU A 57 40.475 8.474 23.710 1.00 0.00 H new ATOM 0 HA GLU A 57 43.107 7.672 23.452 1.00 0.00 H new ATOM 0 HB2 GLU A 57 42.464 7.000 26.046 1.00 0.00 H new ATOM 0 HB3 GLU A 57 42.860 8.620 25.506 1.00 0.00 H new ATOM 0 HG2 GLU A 57 40.869 8.794 26.824 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.398 9.054 25.156 1.00 0.00 H new ATOM 1143 N ASP A 58 41.150 5.110 24.087 1.00 0.00 N ATOM 1144 CA ASP A 58 41.107 3.643 24.094 1.00 0.00 C ATOM 1145 C ASP A 58 40.784 3.109 22.693 1.00 0.00 C ATOM 1146 O ASP A 58 40.505 1.924 22.497 1.00 0.00 O ATOM 1147 CB ASP A 58 40.061 3.161 25.114 1.00 0.00 C ATOM 1148 CG ASP A 58 40.161 1.679 25.417 1.00 0.00 C ATOM 1149 OD1 ASP A 58 41.107 1.274 26.127 1.00 0.00 O ATOM 1150 OD2 ASP A 58 39.288 0.914 24.972 1.00 0.00 O ATOM 0 H ASP A 58 40.249 5.558 24.255 1.00 0.00 H new ATOM 0 HA ASP A 58 42.085 3.259 24.384 1.00 0.00 H new ATOM 0 HB2 ASP A 58 40.180 3.723 26.040 1.00 0.00 H new ATOM 0 HB3 ASP A 58 39.064 3.381 24.733 1.00 0.00 H new ATOM 1155 N GLU A 59 40.844 3.992 21.726 1.00 0.00 N ATOM 1156 CA GLU A 59 40.531 3.674 20.345 1.00 0.00 C ATOM 1157 C GLU A 59 41.829 3.442 19.549 1.00 0.00 C ATOM 1158 O GLU A 59 41.841 2.741 18.527 1.00 0.00 O ATOM 1159 CB GLU A 59 39.713 4.841 19.784 1.00 0.00 C ATOM 1160 CG GLU A 59 39.201 4.694 18.381 1.00 0.00 C ATOM 1161 CD GLU A 59 38.069 5.661 18.106 1.00 0.00 C ATOM 1162 OE1 GLU A 59 38.328 6.871 18.028 1.00 0.00 O ATOM 1163 OE2 GLU A 59 36.911 5.209 18.018 1.00 0.00 O ATOM 0 H GLU A 59 41.114 4.965 21.873 1.00 0.00 H new ATOM 0 HA GLU A 59 39.950 2.755 20.269 1.00 0.00 H new ATOM 0 HB2 GLU A 59 38.860 5.005 20.442 1.00 0.00 H new ATOM 0 HB3 GLU A 59 40.328 5.740 19.829 1.00 0.00 H new ATOM 0 HG2 GLU A 59 40.012 4.870 17.675 1.00 0.00 H new ATOM 0 HG3 GLU A 59 38.856 3.672 18.222 1.00 0.00 H new ATOM 1170 N VAL A 60 42.925 3.996 20.056 1.00 0.00 N ATOM 1171 CA VAL A 60 44.229 3.858 19.418 1.00 0.00 C ATOM 1172 C VAL A 60 45.274 3.331 20.408 1.00 0.00 C ATOM 1173 O VAL A 60 45.221 3.636 21.599 1.00 0.00 O ATOM 1174 CB VAL A 60 44.725 5.206 18.827 1.00 0.00 C ATOM 1175 CG1 VAL A 60 43.846 5.645 17.671 1.00 0.00 C ATOM 1176 CG2 VAL A 60 44.772 6.286 19.899 1.00 0.00 C ATOM 0 H VAL A 60 42.935 4.549 20.913 1.00 0.00 H new ATOM 0 HA VAL A 60 44.105 3.142 18.605 1.00 0.00 H new ATOM 0 HB VAL A 60 45.737 5.053 18.451 1.00 0.00 H new ATOM 0 HG11 VAL A 60 44.213 6.591 17.274 1.00 0.00 H new ATOM 0 HG12 VAL A 60 43.871 4.888 16.887 1.00 0.00 H new ATOM 0 HG13 VAL A 60 42.821 5.771 18.021 1.00 0.00 H new ATOM 0 HG21 VAL A 60 45.122 7.220 19.460 1.00 0.00 H new ATOM 0 HG22 VAL A 60 43.774 6.432 20.313 1.00 0.00 H new ATOM 0 HG23 VAL A 60 45.453 5.981 20.693 1.00 0.00 H new ATOM 1186 N GLU A 61 46.206 2.533 19.912 1.00 0.00 N ATOM 1187 CA GLU A 61 47.279 2.000 20.745 1.00 0.00 C ATOM 1188 C GLU A 61 48.562 2.762 20.477 1.00 0.00 C ATOM 1189 O GLU A 61 48.735 3.326 19.399 1.00 0.00 O ATOM 1190 CB GLU A 61 47.503 0.511 20.463 1.00 0.00 C ATOM 1191 CG GLU A 61 48.090 0.227 19.086 1.00 0.00 C ATOM 1192 CD GLU A 61 48.287 -1.244 18.833 1.00 0.00 C ATOM 1193 OE1 GLU A 61 49.223 -1.830 19.406 1.00 0.00 O ATOM 1194 OE2 GLU A 61 47.502 -1.828 18.048 1.00 0.00 O ATOM 0 H GLU A 61 46.244 2.238 18.936 1.00 0.00 H new ATOM 0 HA GLU A 61 46.991 2.117 21.790 1.00 0.00 H new ATOM 0 HB2 GLU A 61 48.170 0.103 21.223 1.00 0.00 H new ATOM 0 HB3 GLU A 61 46.553 -0.014 20.558 1.00 0.00 H new ATOM 0 HG2 GLU A 61 47.430 0.638 18.322 1.00 0.00 H new ATOM 0 HG3 GLU A 61 49.047 0.740 18.990 1.00 0.00 H new ATOM 1201 N VAL A 62 49.458 2.771 21.439 1.00 0.00 N ATOM 1202 CA VAL A 62 50.722 3.465 21.286 1.00 0.00 C ATOM 1203 C VAL A 62 51.767 2.540 20.678 1.00 0.00 C ATOM 1204 O VAL A 62 52.076 1.485 21.233 1.00 0.00 O ATOM 1205 CB VAL A 62 51.239 4.009 22.636 1.00 0.00 C ATOM 1206 CG1 VAL A 62 52.476 4.873 22.429 1.00 0.00 C ATOM 1207 CG2 VAL A 62 50.150 4.792 23.351 1.00 0.00 C ATOM 0 H VAL A 62 49.336 2.305 22.338 1.00 0.00 H new ATOM 0 HA VAL A 62 50.550 4.309 20.619 1.00 0.00 H new ATOM 0 HB VAL A 62 51.516 3.161 23.262 1.00 0.00 H new ATOM 0 HG11 VAL A 62 52.824 5.246 23.392 1.00 0.00 H new ATOM 0 HG12 VAL A 62 53.262 4.278 21.965 1.00 0.00 H new ATOM 0 HG13 VAL A 62 52.228 5.714 21.782 1.00 0.00 H new ATOM 0 HG21 VAL A 62 50.534 5.167 24.300 1.00 0.00 H new ATOM 0 HG22 VAL A 62 49.837 5.631 22.729 1.00 0.00 H new ATOM 0 HG23 VAL A 62 49.296 4.141 23.537 1.00 0.00 H new ATOM 1217 N VAL A 63 52.279 2.924 19.528 1.00 0.00 N ATOM 1218 CA VAL A 63 53.294 2.155 18.836 1.00 0.00 C ATOM 1219 C VAL A 63 54.259 3.088 18.108 1.00 0.00 C ATOM 1220 O VAL A 63 53.908 3.714 17.113 1.00 0.00 O ATOM 1221 CB VAL A 63 52.665 1.128 17.845 1.00 0.00 C ATOM 1222 CG1 VAL A 63 51.614 1.784 16.958 1.00 0.00 C ATOM 1223 CG2 VAL A 63 53.739 0.460 16.996 1.00 0.00 C ATOM 0 H VAL A 63 52.003 3.779 19.045 1.00 0.00 H new ATOM 0 HA VAL A 63 53.849 1.587 19.583 1.00 0.00 H new ATOM 0 HB VAL A 63 52.171 0.360 18.440 1.00 0.00 H new ATOM 0 HG11 VAL A 63 51.196 1.041 16.279 1.00 0.00 H new ATOM 0 HG12 VAL A 63 50.819 2.196 17.580 1.00 0.00 H new ATOM 0 HG13 VAL A 63 52.075 2.585 16.380 1.00 0.00 H new ATOM 0 HG21 VAL A 63 53.273 -0.251 16.314 1.00 0.00 H new ATOM 0 HG22 VAL A 63 54.272 1.218 16.422 1.00 0.00 H new ATOM 0 HG23 VAL A 63 54.441 -0.065 17.644 1.00 0.00 H new ATOM 1233 N GLY A 64 55.464 3.183 18.618 1.00 0.00 N ATOM 1234 CA GLY A 64 56.444 4.053 18.023 1.00 0.00 C ATOM 1235 C GLY A 64 56.804 5.191 18.947 1.00 0.00 C ATOM 1236 O GLY A 64 57.113 6.295 18.458 1.00 0.00 O ATOM 1237 OXT GLY A 64 56.788 4.985 20.180 1.00 0.00 O ATOM 0 H GLY A 64 55.786 2.671 19.439 1.00 0.00 H new ATOM 0 HA2 GLY A 64 57.340 3.482 17.780 1.00 0.00 H new ATOM 0 HA3 GLY A 64 56.057 4.452 17.085 1.00 0.00 H new