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 34 LYS NZ :NH3+ -164:sc= 0.56 (180deg=-0.162) USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= 0.499 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 178:sc= 1.18 (180deg=-0.091) USER MOD Set 2.2: A 53 THR OG1 : rot -110:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 175:sc= -2.41 (180deg=-2.49) USER MOD Single : A 5 GLN : amide:sc= -0.0884 K(o=-0.088,f=-0.9) USER MOD Single : A 6 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0303) USER MOD Single : A -3 ILE N :NH3+ 175:sc= -0.587 (180deg=-0.634) USER MOD Single : A 10 CYS SG : rot -28:sc= 0.0235 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 22 GLN : amide:sc= 0.00197 K(o=0.002,f=-0.53) USER MOD Single : A 26 GLN : amide:sc= -0.254 K(o=-0.25,f=-0.98) USER MOD Single : A 29 GLN : amide:sc= -1.48 K(o=-1.5,f=-0.56) USER MOD Single : A 31 THR OG1 : rot -29:sc= 0.372 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 177:sc= 0.0367 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -135:sc= 1.24 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 181 N ILE A -3 45.294 9.039 30.635 1.00 0.00 N ATOM 182 CA ILE A -3 45.980 9.235 29.378 1.00 0.00 C ATOM 183 C ILE A -3 47.338 9.918 29.538 1.00 0.00 C ATOM 184 O ILE A -3 48.134 9.941 28.600 1.00 0.00 O ATOM 185 CB ILE A -3 45.092 10.041 28.404 1.00 0.00 C ATOM 186 CG1 ILE A -3 44.500 11.264 29.107 1.00 0.00 C ATOM 187 CG2 ILE A -3 43.988 9.158 27.848 1.00 0.00 C ATOM 188 CD1 ILE A -3 43.650 12.134 28.206 1.00 0.00 C ATOM 0 H1 ILE A -3 44.346 8.650 30.456 1.00 0.00 H new ATOM 0 H2 ILE A -3 45.835 8.375 31.226 1.00 0.00 H new ATOM 0 H3 ILE A -3 45.207 9.950 31.129 1.00 0.00 H new ATOM 0 HA ILE A -3 46.172 8.243 28.968 1.00 0.00 H new ATOM 0 HB ILE A -3 45.709 10.388 27.575 1.00 0.00 H new ATOM 0 HG12 ILE A -3 43.895 10.930 29.950 1.00 0.00 H new ATOM 0 HG13 ILE A -3 45.312 11.865 29.516 1.00 0.00 H new ATOM 0 HG21 ILE A -3 43.369 9.737 27.163 1.00 0.00 H new ATOM 0 HG22 ILE A -3 44.429 8.316 27.315 1.00 0.00 H new ATOM 0 HG23 ILE A -3 43.372 8.786 28.667 1.00 0.00 H new ATOM 0 HD11 ILE A -3 43.265 12.980 28.775 1.00 0.00 H new ATOM 0 HD12 ILE A -3 44.255 12.499 27.376 1.00 0.00 H new ATOM 0 HD13 ILE A -3 42.816 11.550 27.817 1.00 0.00 H new ATOM 200 N GLU A -2 47.611 10.457 30.720 1.00 0.00 N ATOM 201 CA GLU A -2 48.883 11.128 30.971 1.00 0.00 C ATOM 202 C GLU A -2 49.992 10.086 31.030 1.00 0.00 C ATOM 203 O GLU A -2 49.920 9.137 31.808 1.00 0.00 O ATOM 204 CB GLU A -2 48.819 11.923 32.287 1.00 0.00 C ATOM 205 CG GLU A -2 49.833 13.066 32.408 1.00 0.00 C ATOM 206 CD GLU A -2 51.275 12.603 32.440 1.00 0.00 C ATOM 207 OE1 GLU A -2 51.653 11.873 33.384 1.00 0.00 O ATOM 208 OE2 GLU A -2 52.042 12.976 31.527 1.00 0.00 O ATOM 0 H GLU A -2 46.974 10.444 31.516 1.00 0.00 H new ATOM 0 HA GLU A -2 49.090 11.830 30.163 1.00 0.00 H new ATOM 0 HB2 GLU A -2 47.816 12.335 32.395 1.00 0.00 H new ATOM 0 HB3 GLU A -2 48.972 11.234 33.117 1.00 0.00 H new ATOM 0 HG2 GLU A -2 49.699 13.749 31.569 1.00 0.00 H new ATOM 0 HG3 GLU A -2 49.622 13.631 33.316 1.00 0.00 H new ATOM 215 N GLY A -1 50.993 10.244 30.186 1.00 0.00 N ATOM 216 CA GLY A -1 52.086 9.298 30.156 1.00 0.00 C ATOM 217 C GLY A -1 51.861 8.208 29.135 1.00 0.00 C ATOM 218 O GLY A -1 52.811 7.623 28.619 1.00 0.00 O ATOM 0 H GLY A -1 51.070 11.012 29.519 1.00 0.00 H new ATOM 0 HA2 GLY A -1 53.014 9.823 29.928 1.00 0.00 H new ATOM 0 HA3 GLY A -1 52.207 8.851 31.143 1.00 0.00 H new ATOM 222 N ARG A 0 50.598 7.934 28.845 1.00 0.00 N ATOM 223 CA ARG A 0 50.241 6.923 27.860 1.00 0.00 C ATOM 224 C ARG A 0 50.169 7.573 26.510 1.00 0.00 C ATOM 225 O ARG A 0 50.813 7.142 25.556 1.00 0.00 O ATOM 226 CB ARG A 0 48.885 6.293 28.193 1.00 0.00 C ATOM 227 CG ARG A 0 48.681 6.046 29.666 1.00 0.00 C ATOM 228 CD ARG A 0 49.762 5.143 30.227 1.00 0.00 C ATOM 229 NE ARG A 0 49.947 5.343 31.656 1.00 0.00 N ATOM 230 CZ ARG A 0 51.119 5.227 32.278 1.00 0.00 C ATOM 231 NH1 ARG A 0 52.205 4.851 31.604 1.00 0.00 N ATOM 232 NH2 ARG A 0 51.207 5.480 33.573 1.00 0.00 N ATOM 0 H ARG A 0 49.801 8.399 29.279 1.00 0.00 H new ATOM 0 HA ARG A 0 50.996 6.137 27.867 1.00 0.00 H new ATOM 0 HB2 ARG A 0 48.091 6.945 27.829 1.00 0.00 H new ATOM 0 HB3 ARG A 0 48.791 5.348 27.658 1.00 0.00 H new ATOM 0 HG2 ARG A 0 48.684 6.996 30.200 1.00 0.00 H new ATOM 0 HG3 ARG A 0 47.704 5.592 29.829 1.00 0.00 H new ATOM 0 HD2 ARG A 0 49.501 4.102 30.037 1.00 0.00 H new ATOM 0 HD3 ARG A 0 50.701 5.336 29.709 1.00 0.00 H new ATOM 0 HE ARG A 0 49.130 5.587 32.215 1.00 0.00 H new ATOM 0 HH11 ARG A 0 52.142 4.650 30.606 1.00 0.00 H new ATOM 0 HH12 ARG A 0 53.100 4.764 32.086 1.00 0.00 H new ATOM 0 HH21 ARG A 0 50.378 5.764 34.095 1.00 0.00 H new ATOM 0 HH22 ARG A 0 52.104 5.391 34.050 1.00 0.00 H new ATOM 246 N MET A 1 49.395 8.630 26.449 1.00 0.00 N ATOM 247 CA MET A 1 49.220 9.377 25.241 1.00 0.00 C ATOM 248 C MET A 1 50.098 10.606 25.310 1.00 0.00 C ATOM 249 O MET A 1 49.951 11.431 26.214 1.00 0.00 O ATOM 250 CB MET A 1 47.750 9.776 25.080 1.00 0.00 C ATOM 251 CG MET A 1 46.769 8.639 25.350 1.00 0.00 C ATOM 252 SD MET A 1 47.023 7.209 24.279 1.00 0.00 S ATOM 253 CE MET A 1 46.732 7.930 22.670 1.00 0.00 C ATOM 0 H MET A 1 48.869 8.993 27.244 1.00 0.00 H new ATOM 0 HA MET A 1 49.502 8.772 24.379 1.00 0.00 H new ATOM 0 HB2 MET A 1 47.531 10.601 25.758 1.00 0.00 H new ATOM 0 HB3 MET A 1 47.593 10.146 24.067 1.00 0.00 H new ATOM 0 HG2 MET A 1 46.863 8.327 26.390 1.00 0.00 H new ATOM 0 HG3 MET A 1 45.752 9.007 25.218 1.00 0.00 H new ATOM 0 HE1 MET A 1 46.939 7.190 21.897 1.00 0.00 H new ATOM 0 HE2 MET A 1 45.693 8.250 22.597 1.00 0.00 H new ATOM 0 HE3 MET A 1 47.387 8.791 22.533 1.00 0.00 H new ATOM 263 N ASP A 2 51.021 10.721 24.393 1.00 0.00 N ATOM 264 CA ASP A 2 51.954 11.827 24.422 1.00 0.00 C ATOM 265 C ASP A 2 52.124 12.433 23.045 1.00 0.00 C ATOM 266 O ASP A 2 52.174 11.715 22.046 1.00 0.00 O ATOM 267 CB ASP A 2 53.306 11.350 24.961 1.00 0.00 C ATOM 268 CG ASP A 2 54.290 12.477 25.138 1.00 0.00 C ATOM 269 OD1 ASP A 2 54.141 13.250 26.110 1.00 0.00 O ATOM 270 OD2 ASP A 2 55.214 12.604 24.314 1.00 0.00 O ATOM 0 H ASP A 2 51.151 10.069 23.619 1.00 0.00 H new ATOM 0 HA ASP A 2 51.554 12.598 25.081 1.00 0.00 H new ATOM 0 HB2 ASP A 2 53.156 10.850 25.918 1.00 0.00 H new ATOM 0 HB3 ASP A 2 53.725 10.611 24.278 1.00 0.00 H new ATOM 275 N VAL A 3 52.189 13.755 22.987 1.00 0.00 N ATOM 276 CA VAL A 3 52.392 14.443 21.726 1.00 0.00 C ATOM 277 C VAL A 3 53.775 14.107 21.187 1.00 0.00 C ATOM 278 O VAL A 3 54.789 14.387 21.828 1.00 0.00 O ATOM 279 CB VAL A 3 52.246 15.976 21.877 1.00 0.00 C ATOM 280 CG1 VAL A 3 52.373 16.662 20.525 1.00 0.00 C ATOM 281 CG2 VAL A 3 50.917 16.326 22.533 1.00 0.00 C ATOM 0 H VAL A 3 52.104 14.369 23.797 1.00 0.00 H new ATOM 0 HA VAL A 3 51.625 14.107 21.029 1.00 0.00 H new ATOM 0 HB VAL A 3 53.050 16.335 22.520 1.00 0.00 H new ATOM 0 HG11 VAL A 3 52.267 17.739 20.652 1.00 0.00 H new ATOM 0 HG12 VAL A 3 53.350 16.441 20.095 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.592 16.297 19.857 1.00 0.00 H new ATOM 0 HG21 VAL A 3 50.833 17.408 22.630 1.00 0.00 H new ATOM 0 HG22 VAL A 3 50.098 15.953 21.918 1.00 0.00 H new ATOM 0 HG23 VAL A 3 50.867 15.868 23.521 1.00 0.00 H new ATOM 291 N GLY A 4 53.804 13.496 20.026 1.00 0.00 N ATOM 292 CA GLY A 4 55.050 13.048 19.454 1.00 0.00 C ATOM 293 C GLY A 4 55.051 11.549 19.290 1.00 0.00 C ATOM 294 O GLY A 4 55.754 11.005 18.440 1.00 0.00 O ATOM 0 H GLY A 4 52.979 13.298 19.460 1.00 0.00 H new ATOM 0 HA2 GLY A 4 55.204 13.525 18.486 1.00 0.00 H new ATOM 0 HA3 GLY A 4 55.879 13.350 20.094 1.00 0.00 H new ATOM 298 N GLN A 5 54.245 10.884 20.107 1.00 0.00 N ATOM 299 CA GLN A 5 54.103 9.440 20.046 1.00 0.00 C ATOM 300 C GLN A 5 53.300 9.031 18.836 1.00 0.00 C ATOM 301 O GLN A 5 52.431 9.776 18.369 1.00 0.00 O ATOM 302 CB GLN A 5 53.419 8.910 21.308 1.00 0.00 C ATOM 303 CG GLN A 5 54.370 8.611 22.443 1.00 0.00 C ATOM 304 CD GLN A 5 55.273 7.437 22.132 1.00 0.00 C ATOM 305 OE1 GLN A 5 54.892 6.514 21.410 1.00 0.00 O ATOM 306 NE2 GLN A 5 56.471 7.462 22.651 1.00 0.00 N ATOM 0 H GLN A 5 53.675 11.330 20.826 1.00 0.00 H new ATOM 0 HA GLN A 5 55.103 9.012 19.973 1.00 0.00 H new ATOM 0 HB2 GLN A 5 52.685 9.642 21.646 1.00 0.00 H new ATOM 0 HB3 GLN A 5 52.871 8.001 21.058 1.00 0.00 H new ATOM 0 HG2 GLN A 5 54.978 9.492 22.648 1.00 0.00 H new ATOM 0 HG3 GLN A 5 53.800 8.400 23.348 1.00 0.00 H new ATOM 0 HE21 GLN A 5 56.754 8.242 23.244 1.00 0.00 H new ATOM 0 HE22 GLN A 5 57.124 6.702 22.463 1.00 0.00 H new ATOM 315 N LYS A 6 53.594 7.864 18.321 1.00 0.00 N ATOM 316 CA LYS A 6 52.866 7.335 17.206 1.00 0.00 C ATOM 317 C LYS A 6 51.768 6.424 17.695 1.00 0.00 C ATOM 318 O LYS A 6 51.949 5.679 18.657 1.00 0.00 O ATOM 319 CB LYS A 6 53.788 6.591 16.247 1.00 0.00 C ATOM 320 CG LYS A 6 54.769 7.491 15.520 1.00 0.00 C ATOM 321 CD LYS A 6 55.562 6.710 14.489 1.00 0.00 C ATOM 322 CE LYS A 6 56.542 7.601 13.754 1.00 0.00 C ATOM 323 NZ LYS A 6 57.676 8.014 14.620 1.00 0.00 N ATOM 0 H LYS A 6 54.341 7.260 18.664 1.00 0.00 H new ATOM 0 HA LYS A 6 52.422 8.168 16.661 1.00 0.00 H new ATOM 0 HB2 LYS A 6 54.345 5.837 16.804 1.00 0.00 H new ATOM 0 HB3 LYS A 6 53.182 6.061 15.512 1.00 0.00 H new ATOM 0 HG2 LYS A 6 54.230 8.302 15.031 1.00 0.00 H new ATOM 0 HG3 LYS A 6 55.450 7.948 16.238 1.00 0.00 H new ATOM 0 HD2 LYS A 6 56.102 5.900 14.980 1.00 0.00 H new ATOM 0 HD3 LYS A 6 54.879 6.250 13.774 1.00 0.00 H new ATOM 0 HE2 LYS A 6 56.926 7.074 12.880 1.00 0.00 H new ATOM 0 HE3 LYS A 6 56.023 8.487 13.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 58.357 8.566 14.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 57.320 8.597 15.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 58.146 7.169 15.002 1.00 0.00 H new ATOM 337 N VAL A 7 50.636 6.493 17.051 1.00 0.00 N ATOM 338 CA VAL A 7 49.506 5.681 17.416 1.00 0.00 C ATOM 339 C VAL A 7 48.846 5.101 16.187 1.00 0.00 C ATOM 340 O VAL A 7 48.956 5.647 15.088 1.00 0.00 O ATOM 341 CB VAL A 7 48.456 6.465 18.241 1.00 0.00 C ATOM 342 CG1 VAL A 7 48.968 6.754 19.640 1.00 0.00 C ATOM 343 CG2 VAL A 7 48.072 7.755 17.538 1.00 0.00 C ATOM 0 H VAL A 7 50.470 7.113 16.258 1.00 0.00 H new ATOM 0 HA VAL A 7 49.892 4.876 18.042 1.00 0.00 H new ATOM 0 HB VAL A 7 47.566 5.842 18.327 1.00 0.00 H new ATOM 0 HG11 VAL A 7 48.211 7.305 20.198 1.00 0.00 H new ATOM 0 HG12 VAL A 7 49.182 5.815 20.150 1.00 0.00 H new ATOM 0 HG13 VAL A 7 49.879 7.350 19.578 1.00 0.00 H new ATOM 0 HG21 VAL A 7 47.333 8.289 18.136 1.00 0.00 H new ATOM 0 HG22 VAL A 7 48.957 8.379 17.413 1.00 0.00 H new ATOM 0 HG23 VAL A 7 47.649 7.525 16.560 1.00 0.00 H new ATOM 353 N ARG A 8 48.179 3.994 16.373 1.00 0.00 N ATOM 354 CA ARG A 8 47.483 3.329 15.298 1.00 0.00 C ATOM 355 C ARG A 8 46.077 2.986 15.746 1.00 0.00 C ATOM 356 O ARG A 8 45.878 2.528 16.871 1.00 0.00 O ATOM 357 CB ARG A 8 48.246 2.061 14.893 1.00 0.00 C ATOM 358 CG ARG A 8 47.575 1.239 13.801 1.00 0.00 C ATOM 359 CD ARG A 8 48.428 0.040 13.410 1.00 0.00 C ATOM 360 NE ARG A 8 48.719 -0.823 14.556 1.00 0.00 N ATOM 361 CZ ARG A 8 49.689 -1.738 14.591 1.00 0.00 C ATOM 362 NH1 ARG A 8 50.422 -1.991 13.510 1.00 0.00 N ATOM 363 NH2 ARG A 8 49.918 -2.408 15.711 1.00 0.00 N ATOM 0 H ARG A 8 48.101 3.525 17.275 1.00 0.00 H new ATOM 0 HA ARG A 8 47.426 3.989 14.432 1.00 0.00 H new ATOM 0 HB2 ARG A 8 49.243 2.345 14.555 1.00 0.00 H new ATOM 0 HB3 ARG A 8 48.375 1.433 15.775 1.00 0.00 H new ATOM 0 HG2 ARG A 8 46.600 0.897 14.147 1.00 0.00 H new ATOM 0 HG3 ARG A 8 47.401 1.865 12.926 1.00 0.00 H new ATOM 0 HD2 ARG A 8 47.912 -0.538 12.643 1.00 0.00 H new ATOM 0 HD3 ARG A 8 49.363 0.388 12.971 1.00 0.00 H new ATOM 0 HE ARG A 8 48.138 -0.717 15.388 1.00 0.00 H new ATOM 0 HH11 ARG A 8 50.245 -1.483 12.643 1.00 0.00 H new ATOM 0 HH12 ARG A 8 51.161 -2.693 13.548 1.00 0.00 H new ATOM 0 HH21 ARG A 8 49.354 -2.223 16.540 1.00 0.00 H new ATOM 0 HH22 ARG A 8 50.658 -3.109 15.744 1.00 0.00 H new ATOM 377 N VAL A 9 45.102 3.238 14.890 1.00 0.00 N ATOM 378 CA VAL A 9 43.720 2.921 15.213 1.00 0.00 C ATOM 379 C VAL A 9 43.557 1.405 15.304 1.00 0.00 C ATOM 380 O VAL A 9 43.567 0.705 14.288 1.00 0.00 O ATOM 381 CB VAL A 9 42.743 3.498 14.165 1.00 0.00 C ATOM 382 CG1 VAL A 9 41.300 3.294 14.600 1.00 0.00 C ATOM 383 CG2 VAL A 9 43.024 4.974 13.932 1.00 0.00 C ATOM 0 H VAL A 9 45.239 3.659 13.971 1.00 0.00 H new ATOM 0 HA VAL A 9 43.479 3.378 16.173 1.00 0.00 H new ATOM 0 HB VAL A 9 42.895 2.963 13.228 1.00 0.00 H new ATOM 0 HG11 VAL A 9 40.631 3.708 13.846 1.00 0.00 H new ATOM 0 HG12 VAL A 9 41.102 2.228 14.715 1.00 0.00 H new ATOM 0 HG13 VAL A 9 41.132 3.799 15.551 1.00 0.00 H new ATOM 0 HG21 VAL A 9 42.327 5.365 13.191 1.00 0.00 H new ATOM 0 HG22 VAL A 9 42.902 5.520 14.868 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.045 5.097 13.570 1.00 0.00 H new ATOM 393 N CYS A 10 43.438 0.910 16.521 1.00 0.00 N ATOM 394 CA CYS A 10 43.376 -0.523 16.770 1.00 0.00 C ATOM 395 C CYS A 10 41.940 -1.014 16.823 1.00 0.00 C ATOM 396 O CYS A 10 41.670 -2.203 16.649 1.00 0.00 O ATOM 397 CB CYS A 10 44.077 -0.846 18.092 1.00 0.00 C ATOM 398 SG CYS A 10 44.279 -2.612 18.427 1.00 0.00 S ATOM 0 H CYS A 10 43.382 1.484 17.363 1.00 0.00 H new ATOM 0 HA CYS A 10 43.879 -1.032 15.948 1.00 0.00 H new ATOM 0 HB2 CYS A 10 45.060 -0.375 18.091 1.00 0.00 H new ATOM 0 HB3 CYS A 10 43.510 -0.398 18.908 1.00 0.00 H new ATOM 0 HG CYS A 10 43.324 -3.276 17.846 1.00 0.00 H new ATOM 404 N ARG A 11 41.028 -0.104 17.050 1.00 0.00 N ATOM 405 CA ARG A 11 39.633 -0.451 17.204 1.00 0.00 C ATOM 406 C ARG A 11 38.766 0.733 16.854 1.00 0.00 C ATOM 407 O ARG A 11 39.273 1.820 16.643 1.00 0.00 O ATOM 408 CB ARG A 11 39.379 -0.878 18.644 1.00 0.00 C ATOM 409 CG ARG A 11 39.884 0.131 19.660 1.00 0.00 C ATOM 410 CD ARG A 11 39.779 -0.391 21.074 1.00 0.00 C ATOM 411 NE ARG A 11 40.616 -1.571 21.281 1.00 0.00 N ATOM 412 CZ ARG A 11 41.418 -1.761 22.331 1.00 0.00 C ATOM 413 NH1 ARG A 11 41.543 -0.822 23.268 1.00 0.00 N ATOM 414 NH2 ARG A 11 42.109 -2.889 22.431 1.00 0.00 N ATOM 0 H ARG A 11 41.226 0.893 17.133 1.00 0.00 H new ATOM 0 HA ARG A 11 39.386 -1.274 16.533 1.00 0.00 H new ATOM 0 HB2 ARG A 11 38.309 -1.027 18.789 1.00 0.00 H new ATOM 0 HB3 ARG A 11 39.862 -1.838 18.823 1.00 0.00 H new ATOM 0 HG2 ARG A 11 40.923 0.378 19.441 1.00 0.00 H new ATOM 0 HG3 ARG A 11 39.311 1.054 19.570 1.00 0.00 H new ATOM 0 HD2 ARG A 11 40.075 0.391 21.773 1.00 0.00 H new ATOM 0 HD3 ARG A 11 38.741 -0.639 21.294 1.00 0.00 H new ATOM 0 HE ARG A 11 40.585 -2.303 20.571 1.00 0.00 H new ATOM 0 HH11 ARG A 11 41.023 0.052 23.187 1.00 0.00 H new ATOM 0 HH12 ARG A 11 42.158 -0.977 24.066 1.00 0.00 H new ATOM 0 HH21 ARG A 11 42.025 -3.604 21.708 1.00 0.00 H new ATOM 0 HH22 ARG A 11 42.724 -3.041 23.230 1.00 0.00 H new ATOM 428 N ILE A 12 37.473 0.509 16.765 1.00 0.00 N ATOM 429 CA ILE A 12 36.534 1.576 16.484 1.00 0.00 C ATOM 430 C ILE A 12 35.379 1.525 17.476 1.00 0.00 C ATOM 431 O ILE A 12 34.612 0.559 17.499 1.00 0.00 O ATOM 432 CB ILE A 12 35.988 1.489 15.033 1.00 0.00 C ATOM 433 CG1 ILE A 12 37.151 1.515 14.036 1.00 0.00 C ATOM 434 CG2 ILE A 12 35.016 2.638 14.751 1.00 0.00 C ATOM 435 CD1 ILE A 12 36.737 1.326 12.599 1.00 0.00 C ATOM 0 H ILE A 12 37.045 -0.409 16.884 1.00 0.00 H new ATOM 0 HA ILE A 12 37.064 2.523 16.586 1.00 0.00 H new ATOM 0 HB ILE A 12 35.446 0.550 14.920 1.00 0.00 H new ATOM 0 HG12 ILE A 12 37.674 2.467 14.130 1.00 0.00 H new ATOM 0 HG13 ILE A 12 37.862 0.733 14.304 1.00 0.00 H new ATOM 0 HG21 ILE A 12 34.645 2.558 13.729 1.00 0.00 H new ATOM 0 HG22 ILE A 12 34.178 2.585 15.446 1.00 0.00 H new ATOM 0 HG23 ILE A 12 35.532 3.590 14.877 1.00 0.00 H new ATOM 0 HD11 ILE A 12 37.619 1.357 11.959 1.00 0.00 H new ATOM 0 HD12 ILE A 12 36.242 0.362 12.487 1.00 0.00 H new ATOM 0 HD13 ILE A 12 36.051 2.122 12.310 1.00 0.00 H new ATOM 447 N ARG A 13 35.269 2.550 18.299 1.00 0.00 N ATOM 448 CA ARG A 13 34.216 2.620 19.310 1.00 0.00 C ATOM 449 C ARG A 13 32.973 3.304 18.760 1.00 0.00 C ATOM 450 O ARG A 13 32.005 3.540 19.484 1.00 0.00 O ATOM 451 CB ARG A 13 34.699 3.365 20.556 1.00 0.00 C ATOM 452 CG ARG A 13 35.735 2.620 21.384 1.00 0.00 C ATOM 453 CD ARG A 13 36.075 3.407 22.640 1.00 0.00 C ATOM 454 NE ARG A 13 36.924 2.656 23.572 1.00 0.00 N ATOM 455 CZ ARG A 13 36.704 2.587 24.894 1.00 0.00 C ATOM 456 NH1 ARG A 13 35.621 3.147 25.421 1.00 0.00 N ATOM 457 NH2 ARG A 13 37.556 1.946 25.683 1.00 0.00 N ATOM 0 H ARG A 13 35.897 3.354 18.292 1.00 0.00 H new ATOM 0 HA ARG A 13 33.963 1.596 19.585 1.00 0.00 H new ATOM 0 HB2 ARG A 13 35.120 4.322 20.249 1.00 0.00 H new ATOM 0 HB3 ARG A 13 33.838 3.583 21.188 1.00 0.00 H new ATOM 0 HG2 ARG A 13 35.353 1.636 21.656 1.00 0.00 H new ATOM 0 HG3 ARG A 13 36.636 2.460 20.792 1.00 0.00 H new ATOM 0 HD2 ARG A 13 36.582 4.330 22.358 1.00 0.00 H new ATOM 0 HD3 ARG A 13 35.152 3.691 23.146 1.00 0.00 H new ATOM 0 HE ARG A 13 37.729 2.157 23.193 1.00 0.00 H new ATOM 0 HH11 ARG A 13 34.954 3.631 24.820 1.00 0.00 H new ATOM 0 HH12 ARG A 13 35.457 3.093 26.426 1.00 0.00 H new ATOM 0 HH21 ARG A 13 38.384 1.502 25.286 1.00 0.00 H new ATOM 0 HH22 ARG A 13 37.383 1.897 26.687 1.00 0.00 H new ATOM 471 N ASP A 14 33.002 3.625 17.488 1.00 0.00 N ATOM 472 CA ASP A 14 31.881 4.280 16.841 1.00 0.00 C ATOM 473 C ASP A 14 31.539 3.547 15.539 1.00 0.00 C ATOM 474 O ASP A 14 31.893 2.378 15.378 1.00 0.00 O ATOM 475 CB ASP A 14 32.228 5.748 16.577 1.00 0.00 C ATOM 476 CG ASP A 14 31.003 6.609 16.391 1.00 0.00 C ATOM 477 OD1 ASP A 14 30.384 6.995 17.410 1.00 0.00 O ATOM 478 OD2 ASP A 14 30.649 6.897 15.231 1.00 0.00 O ATOM 0 H ASP A 14 33.795 3.443 16.873 1.00 0.00 H new ATOM 0 HA ASP A 14 31.006 4.247 17.490 1.00 0.00 H new ATOM 0 HB2 ASP A 14 32.816 6.134 17.410 1.00 0.00 H new ATOM 0 HB3 ASP A 14 32.854 5.815 15.687 1.00 0.00 H new ATOM 483 N ARG A 15 30.854 4.213 14.621 1.00 0.00 N ATOM 484 CA ARG A 15 30.499 3.595 13.351 1.00 0.00 C ATOM 485 C ARG A 15 31.625 3.790 12.367 1.00 0.00 C ATOM 486 O ARG A 15 32.329 4.804 12.419 1.00 0.00 O ATOM 487 CB ARG A 15 29.212 4.189 12.766 1.00 0.00 C ATOM 488 CG ARG A 15 28.018 4.154 13.699 1.00 0.00 C ATOM 489 CD ARG A 15 27.956 5.396 14.570 1.00 0.00 C ATOM 490 NE ARG A 15 27.711 6.607 13.776 1.00 0.00 N ATOM 491 CZ ARG A 15 27.544 7.831 14.290 1.00 0.00 C ATOM 492 NH1 ARG A 15 27.583 8.017 15.605 1.00 0.00 N ATOM 493 NH2 ARG A 15 27.338 8.865 13.485 1.00 0.00 N ATOM 0 H ARG A 15 30.534 5.175 14.730 1.00 0.00 H new ATOM 0 HA ARG A 15 30.329 2.534 13.534 1.00 0.00 H new ATOM 0 HB2 ARG A 15 29.402 5.223 12.480 1.00 0.00 H new ATOM 0 HB3 ARG A 15 28.960 3.648 11.854 1.00 0.00 H new ATOM 0 HG2 ARG A 15 27.101 4.071 13.115 1.00 0.00 H new ATOM 0 HG3 ARG A 15 28.074 3.268 14.331 1.00 0.00 H new ATOM 0 HD2 ARG A 15 27.165 5.281 15.311 1.00 0.00 H new ATOM 0 HD3 ARG A 15 28.893 5.503 15.117 1.00 0.00 H new ATOM 0 HE ARG A 15 27.665 6.508 12.762 1.00 0.00 H new ATOM 0 HH11 ARG A 15 27.741 7.225 16.228 1.00 0.00 H new ATOM 0 HH12 ARG A 15 27.455 8.952 15.992 1.00 0.00 H new ATOM 0 HH21 ARG A 15 27.307 8.727 12.475 1.00 0.00 H new ATOM 0 HH22 ARG A 15 27.211 9.798 13.876 1.00 0.00 H new ATOM 507 N VAL A 16 31.805 2.845 11.471 1.00 0.00 N ATOM 508 CA VAL A 16 32.865 2.964 10.505 1.00 0.00 C ATOM 509 C VAL A 16 32.502 3.961 9.405 1.00 0.00 C ATOM 510 O VAL A 16 31.579 3.747 8.614 1.00 0.00 O ATOM 511 CB VAL A 16 33.234 1.588 9.873 1.00 0.00 C ATOM 512 CG1 VAL A 16 33.787 0.650 10.926 1.00 0.00 C ATOM 513 CG2 VAL A 16 32.034 0.951 9.188 1.00 0.00 C ATOM 0 H VAL A 16 31.239 2.000 11.394 1.00 0.00 H new ATOM 0 HA VAL A 16 33.738 3.335 11.042 1.00 0.00 H new ATOM 0 HB VAL A 16 34.000 1.768 9.119 1.00 0.00 H new ATOM 0 HG11 VAL A 16 34.039 -0.306 10.466 1.00 0.00 H new ATOM 0 HG12 VAL A 16 34.682 1.087 11.368 1.00 0.00 H new ATOM 0 HG13 VAL A 16 33.038 0.493 11.702 1.00 0.00 H new ATOM 0 HG21 VAL A 16 32.327 -0.007 8.758 1.00 0.00 H new ATOM 0 HG22 VAL A 16 31.240 0.794 9.918 1.00 0.00 H new ATOM 0 HG23 VAL A 16 31.675 1.609 8.397 1.00 0.00 H new ATOM 523 N ALA A 17 33.206 5.066 9.381 1.00 0.00 N ATOM 524 CA ALA A 17 33.046 6.024 8.320 1.00 0.00 C ATOM 525 C ALA A 17 33.950 5.634 7.181 1.00 0.00 C ATOM 526 O ALA A 17 34.882 4.853 7.379 1.00 0.00 O ATOM 527 CB ALA A 17 33.352 7.432 8.795 1.00 0.00 C ATOM 0 H ALA A 17 33.896 5.323 10.087 1.00 0.00 H new ATOM 0 HA ALA A 17 32.008 6.021 7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 17 33.221 8.131 7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 17 32.674 7.698 9.606 1.00 0.00 H new ATOM 0 HB3 ALA A 17 34.381 7.480 9.152 1.00 0.00 H new ATOM 533 N GLN A 18 33.703 6.166 6.007 1.00 0.00 N ATOM 534 CA GLN A 18 34.535 5.856 4.852 1.00 0.00 C ATOM 535 C GLN A 18 35.977 6.308 5.091 1.00 0.00 C ATOM 536 O GLN A 18 36.916 5.726 4.559 1.00 0.00 O ATOM 537 CB GLN A 18 33.951 6.484 3.591 1.00 0.00 C ATOM 538 CG GLN A 18 32.550 5.978 3.276 1.00 0.00 C ATOM 539 CD GLN A 18 31.946 6.625 2.051 1.00 0.00 C ATOM 540 OE1 GLN A 18 32.238 7.777 1.730 1.00 0.00 O ATOM 541 NE2 GLN A 18 31.099 5.889 1.360 1.00 0.00 N ATOM 0 H GLN A 18 32.938 6.814 5.820 1.00 0.00 H new ATOM 0 HA GLN A 18 34.549 4.776 4.709 1.00 0.00 H new ATOM 0 HB2 GLN A 18 33.923 7.567 3.709 1.00 0.00 H new ATOM 0 HB3 GLN A 18 34.608 6.272 2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 18 32.585 4.898 3.129 1.00 0.00 H new ATOM 0 HG3 GLN A 18 31.903 6.162 4.133 1.00 0.00 H new ATOM 0 HE21 GLN A 18 30.885 4.938 1.662 1.00 0.00 H new ATOM 0 HE22 GLN A 18 30.657 6.270 0.523 1.00 0.00 H new ATOM 550 N ASP A 19 36.139 7.340 5.913 1.00 0.00 N ATOM 551 CA ASP A 19 37.467 7.814 6.300 1.00 0.00 C ATOM 552 C ASP A 19 38.011 6.963 7.440 1.00 0.00 C ATOM 553 O ASP A 19 39.170 6.560 7.430 1.00 0.00 O ATOM 554 CB ASP A 19 37.427 9.282 6.752 1.00 0.00 C ATOM 555 CG ASP A 19 37.117 10.251 5.636 1.00 0.00 C ATOM 556 OD1 ASP A 19 38.032 10.574 4.848 1.00 0.00 O ATOM 557 OD2 ASP A 19 35.965 10.713 5.552 1.00 0.00 O ATOM 0 H ASP A 19 35.368 7.865 6.325 1.00 0.00 H new ATOM 0 HA ASP A 19 38.115 7.733 5.427 1.00 0.00 H new ATOM 0 HB2 ASP A 19 36.677 9.392 7.536 1.00 0.00 H new ATOM 0 HB3 ASP A 19 38.389 9.544 7.192 1.00 0.00 H new ATOM 562 N ILE A 20 37.150 6.692 8.419 1.00 0.00 N ATOM 563 CA ILE A 20 37.522 5.918 9.609 1.00 0.00 C ATOM 564 C ILE A 20 37.986 4.524 9.249 1.00 0.00 C ATOM 565 O ILE A 20 38.981 4.041 9.782 1.00 0.00 O ATOM 566 CB ILE A 20 36.340 5.811 10.604 1.00 0.00 C ATOM 567 CG1 ILE A 20 35.962 7.190 11.111 1.00 0.00 C ATOM 568 CG2 ILE A 20 36.676 4.879 11.765 1.00 0.00 C ATOM 569 CD1 ILE A 20 34.788 7.202 12.070 1.00 0.00 C ATOM 0 H ILE A 20 36.178 7.000 8.413 1.00 0.00 H new ATOM 0 HA ILE A 20 38.345 6.455 10.080 1.00 0.00 H new ATOM 0 HB ILE A 20 35.486 5.384 10.078 1.00 0.00 H new ATOM 0 HG12 ILE A 20 36.826 7.631 11.608 1.00 0.00 H new ATOM 0 HG13 ILE A 20 35.726 7.826 10.258 1.00 0.00 H new ATOM 0 HG21 ILE A 20 35.826 4.825 12.446 1.00 0.00 H new ATOM 0 HG22 ILE A 20 36.897 3.883 11.380 1.00 0.00 H new ATOM 0 HG23 ILE A 20 37.545 5.262 12.299 1.00 0.00 H new ATOM 0 HD11 ILE A 20 34.585 8.226 12.383 1.00 0.00 H new ATOM 0 HD12 ILE A 20 33.908 6.793 11.573 1.00 0.00 H new ATOM 0 HD13 ILE A 20 35.026 6.596 12.944 1.00 0.00 H new ATOM 581 N ILE A 21 37.281 3.886 8.334 1.00 0.00 N ATOM 582 CA ILE A 21 37.610 2.532 7.960 1.00 0.00 C ATOM 583 C ILE A 21 39.010 2.460 7.330 1.00 0.00 C ATOM 584 O ILE A 21 39.708 1.459 7.458 1.00 0.00 O ATOM 585 CB ILE A 21 36.547 1.906 7.008 1.00 0.00 C ATOM 586 CG1 ILE A 21 36.779 0.400 6.843 1.00 0.00 C ATOM 587 CG2 ILE A 21 36.551 2.597 5.651 1.00 0.00 C ATOM 588 CD1 ILE A 21 36.607 -0.391 8.126 1.00 0.00 C ATOM 0 H ILE A 21 36.482 4.284 7.841 1.00 0.00 H new ATOM 0 HA ILE A 21 37.609 1.942 8.877 1.00 0.00 H new ATOM 0 HB ILE A 21 35.567 2.055 7.462 1.00 0.00 H new ATOM 0 HG12 ILE A 21 36.086 0.015 6.094 1.00 0.00 H new ATOM 0 HG13 ILE A 21 37.786 0.237 6.459 1.00 0.00 H new ATOM 0 HG21 ILE A 21 35.800 2.139 5.008 1.00 0.00 H new ATOM 0 HG22 ILE A 21 36.322 3.655 5.781 1.00 0.00 H new ATOM 0 HG23 ILE A 21 37.534 2.492 5.192 1.00 0.00 H new ATOM 0 HD11 ILE A 21 36.787 -1.448 7.929 1.00 0.00 H new ATOM 0 HD12 ILE A 21 37.318 -0.034 8.871 1.00 0.00 H new ATOM 0 HD13 ILE A 21 35.592 -0.260 8.501 1.00 0.00 H new ATOM 600 N GLN A 22 39.420 3.545 6.677 1.00 0.00 N ATOM 601 CA GLN A 22 40.740 3.620 6.060 1.00 0.00 C ATOM 602 C GLN A 22 41.805 3.872 7.116 1.00 0.00 C ATOM 603 O GLN A 22 42.969 3.513 6.945 1.00 0.00 O ATOM 604 CB GLN A 22 40.776 4.738 5.016 1.00 0.00 C ATOM 605 CG GLN A 22 39.809 4.540 3.864 1.00 0.00 C ATOM 606 CD GLN A 22 39.866 5.672 2.857 1.00 0.00 C ATOM 607 OE1 GLN A 22 40.911 6.296 2.658 1.00 0.00 O ATOM 608 NE2 GLN A 22 38.745 5.953 2.224 1.00 0.00 N ATOM 0 H GLN A 22 38.854 4.386 6.562 1.00 0.00 H new ATOM 0 HA GLN A 22 40.944 2.668 5.570 1.00 0.00 H new ATOM 0 HB2 GLN A 22 40.552 5.686 5.506 1.00 0.00 H new ATOM 0 HB3 GLN A 22 41.788 4.817 4.618 1.00 0.00 H new ATOM 0 HG2 GLN A 22 40.035 3.599 3.362 1.00 0.00 H new ATOM 0 HG3 GLN A 22 38.795 4.457 4.255 1.00 0.00 H new ATOM 0 HE21 GLN A 22 37.901 5.413 2.417 1.00 0.00 H new ATOM 0 HE22 GLN A 22 38.721 6.710 1.541 1.00 0.00 H new ATOM 617 N LYS A 23 41.393 4.490 8.207 1.00 0.00 N ATOM 618 CA LYS A 23 42.291 4.815 9.298 1.00 0.00 C ATOM 619 C LYS A 23 42.473 3.626 10.232 1.00 0.00 C ATOM 620 O LYS A 23 43.448 3.558 10.979 1.00 0.00 O ATOM 621 CB LYS A 23 41.758 6.022 10.060 1.00 0.00 C ATOM 622 CG LYS A 23 41.658 7.255 9.214 1.00 0.00 C ATOM 623 CD LYS A 23 43.006 7.870 9.010 1.00 0.00 C ATOM 624 CE LYS A 23 43.003 8.829 7.858 1.00 0.00 C ATOM 625 NZ LYS A 23 41.964 9.885 7.993 1.00 0.00 N ATOM 0 H LYS A 23 40.427 4.780 8.361 1.00 0.00 H new ATOM 0 HA LYS A 23 43.269 5.060 8.883 1.00 0.00 H new ATOM 0 HB2 LYS A 23 40.773 5.784 10.462 1.00 0.00 H new ATOM 0 HB3 LYS A 23 42.410 6.224 10.910 1.00 0.00 H new ATOM 0 HG2 LYS A 23 41.218 7.004 8.249 1.00 0.00 H new ATOM 0 HG3 LYS A 23 40.993 7.975 9.690 1.00 0.00 H new ATOM 0 HD2 LYS A 23 43.311 8.391 9.918 1.00 0.00 H new ATOM 0 HD3 LYS A 23 43.742 7.086 8.830 1.00 0.00 H new ATOM 0 HE2 LYS A 23 43.984 9.298 7.778 1.00 0.00 H new ATOM 0 HE3 LYS A 23 42.837 8.278 6.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 42.028 10.540 7.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 41.022 9.445 8.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 42.115 10.409 8.878 1.00 0.00 H new ATOM 639 N LEU A 24 41.537 2.691 10.185 1.00 0.00 N ATOM 640 CA LEU A 24 41.623 1.491 10.998 1.00 0.00 C ATOM 641 C LEU A 24 42.818 0.661 10.537 1.00 0.00 C ATOM 642 O LEU A 24 42.809 0.079 9.450 1.00 0.00 O ATOM 643 CB LEU A 24 40.306 0.683 10.906 1.00 0.00 C ATOM 644 CG LEU A 24 40.084 -0.436 11.957 1.00 0.00 C ATOM 645 CD1 LEU A 24 40.938 -1.661 11.661 1.00 0.00 C ATOM 646 CD2 LEU A 24 40.362 0.078 13.368 1.00 0.00 C ATOM 0 H LEU A 24 40.709 2.741 9.592 1.00 0.00 H new ATOM 0 HA LEU A 24 41.767 1.763 12.044 1.00 0.00 H new ATOM 0 HB2 LEU A 24 39.474 1.384 10.978 1.00 0.00 H new ATOM 0 HB3 LEU A 24 40.256 0.231 9.916 1.00 0.00 H new ATOM 0 HG LEU A 24 39.038 -0.735 11.896 1.00 0.00 H new ATOM 0 HD11 LEU A 24 40.755 -2.423 12.418 1.00 0.00 H new ATOM 0 HD12 LEU A 24 40.679 -2.056 10.679 1.00 0.00 H new ATOM 0 HD13 LEU A 24 41.992 -1.382 11.674 1.00 0.00 H new ATOM 0 HD21 LEU A 24 40.199 -0.725 14.087 1.00 0.00 H new ATOM 0 HD22 LEU A 24 41.395 0.420 13.434 1.00 0.00 H new ATOM 0 HD23 LEU A 24 39.691 0.907 13.592 1.00 0.00 H new ATOM 658 N GLY A 25 43.851 0.635 11.357 1.00 0.00 N ATOM 659 CA GLY A 25 45.053 -0.083 11.008 1.00 0.00 C ATOM 660 C GLY A 25 46.119 0.838 10.454 1.00 0.00 C ATOM 661 O GLY A 25 47.236 0.411 10.179 1.00 0.00 O ATOM 0 H GLY A 25 43.879 1.101 12.264 1.00 0.00 H new ATOM 0 HA2 GLY A 25 45.438 -0.596 11.889 1.00 0.00 H new ATOM 0 HA3 GLY A 25 44.817 -0.850 10.271 1.00 0.00 H new ATOM 665 N GLN A 26 45.778 2.107 10.299 1.00 0.00 N ATOM 666 CA GLN A 26 46.711 3.091 9.783 1.00 0.00 C ATOM 667 C GLN A 26 47.481 3.732 10.940 1.00 0.00 C ATOM 668 O GLN A 26 46.910 4.004 12.005 1.00 0.00 O ATOM 669 CB GLN A 26 45.964 4.149 8.951 1.00 0.00 C ATOM 670 CG GLN A 26 46.867 5.032 8.106 1.00 0.00 C ATOM 671 CD GLN A 26 46.087 5.911 7.146 1.00 0.00 C ATOM 672 OE1 GLN A 26 45.719 7.036 7.469 1.00 0.00 O ATOM 673 NE2 GLN A 26 45.822 5.397 5.961 1.00 0.00 N ATOM 0 H GLN A 26 44.856 2.480 10.525 1.00 0.00 H new ATOM 0 HA GLN A 26 47.429 2.599 9.127 1.00 0.00 H new ATOM 0 HB2 GLN A 26 45.253 3.644 8.297 1.00 0.00 H new ATOM 0 HB3 GLN A 26 45.384 4.781 9.624 1.00 0.00 H new ATOM 0 HG2 GLN A 26 47.471 5.661 8.761 1.00 0.00 H new ATOM 0 HG3 GLN A 26 47.557 4.405 7.541 1.00 0.00 H new ATOM 0 HE21 GLN A 26 46.145 4.458 5.729 1.00 0.00 H new ATOM 0 HE22 GLN A 26 45.294 5.939 5.277 1.00 0.00 H new ATOM 682 N VAL A 27 48.770 3.945 10.738 1.00 0.00 N ATOM 683 CA VAL A 27 49.638 4.495 11.771 1.00 0.00 C ATOM 684 C VAL A 27 49.823 6.000 11.585 1.00 0.00 C ATOM 685 O VAL A 27 49.952 6.487 10.459 1.00 0.00 O ATOM 686 CB VAL A 27 51.031 3.804 11.757 1.00 0.00 C ATOM 687 CG1 VAL A 27 51.936 4.368 12.847 1.00 0.00 C ATOM 688 CG2 VAL A 27 50.886 2.300 11.916 1.00 0.00 C ATOM 0 H VAL A 27 49.245 3.743 9.858 1.00 0.00 H new ATOM 0 HA VAL A 27 49.157 4.308 12.731 1.00 0.00 H new ATOM 0 HB VAL A 27 51.494 4.009 10.792 1.00 0.00 H new ATOM 0 HG11 VAL A 27 52.903 3.866 12.813 1.00 0.00 H new ATOM 0 HG12 VAL A 27 52.076 5.437 12.686 1.00 0.00 H new ATOM 0 HG13 VAL A 27 51.477 4.205 13.822 1.00 0.00 H new ATOM 0 HG21 VAL A 27 51.872 1.836 11.904 1.00 0.00 H new ATOM 0 HG22 VAL A 27 50.393 2.080 12.863 1.00 0.00 H new ATOM 0 HG23 VAL A 27 50.288 1.903 11.095 1.00 0.00 H new ATOM 698 N GLY A 28 49.817 6.727 12.688 1.00 0.00 N ATOM 699 CA GLY A 28 50.015 8.149 12.640 1.00 0.00 C ATOM 700 C GLY A 28 50.696 8.660 13.885 1.00 0.00 C ATOM 701 O GLY A 28 51.039 7.885 14.767 1.00 0.00 O ATOM 0 H GLY A 28 49.676 6.348 13.624 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.615 8.404 11.766 1.00 0.00 H new ATOM 0 HA3 GLY A 28 49.052 8.647 12.521 1.00 0.00 H new ATOM 705 N GLN A 29 50.887 9.960 13.961 1.00 0.00 N ATOM 706 CA GLN A 29 51.543 10.568 15.102 1.00 0.00 C ATOM 707 C GLN A 29 50.600 11.523 15.832 1.00 0.00 C ATOM 708 O GLN A 29 49.821 12.242 15.201 1.00 0.00 O ATOM 709 CB GLN A 29 52.794 11.317 14.644 1.00 0.00 C ATOM 710 CG GLN A 29 53.595 11.938 15.774 1.00 0.00 C ATOM 711 CD GLN A 29 54.763 12.755 15.273 1.00 0.00 C ATOM 712 OE1 GLN A 29 55.330 12.472 14.219 1.00 0.00 O ATOM 713 NE2 GLN A 29 55.125 13.775 16.019 1.00 0.00 N ATOM 0 H GLN A 29 50.595 10.621 13.241 1.00 0.00 H new ATOM 0 HA GLN A 29 51.829 9.776 15.795 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.436 10.628 14.094 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.499 12.102 13.948 1.00 0.00 H new ATOM 0 HG2 GLN A 29 52.942 12.573 16.372 1.00 0.00 H new ATOM 0 HG3 GLN A 29 53.962 11.150 16.431 1.00 0.00 H new ATOM 0 HE21 GLN A 29 54.627 13.974 16.887 1.00 0.00 H new ATOM 0 HE22 GLN A 29 55.904 14.367 15.730 1.00 0.00 H new ATOM 722 N ILE A 30 50.667 11.514 17.159 1.00 0.00 N ATOM 723 CA ILE A 30 49.859 12.408 17.977 1.00 0.00 C ATOM 724 C ILE A 30 50.411 13.822 17.885 1.00 0.00 C ATOM 725 O ILE A 30 51.541 14.079 18.304 1.00 0.00 O ATOM 726 CB ILE A 30 49.861 11.982 19.466 1.00 0.00 C ATOM 727 CG1 ILE A 30 49.382 10.539 19.618 1.00 0.00 C ATOM 728 CG2 ILE A 30 48.989 12.927 20.294 1.00 0.00 C ATOM 729 CD1 ILE A 30 49.433 10.031 21.044 1.00 0.00 C ATOM 0 H ILE A 30 51.276 10.894 17.692 1.00 0.00 H new ATOM 0 HA ILE A 30 48.837 12.362 17.600 1.00 0.00 H new ATOM 0 HB ILE A 30 50.884 12.041 19.837 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.359 10.464 19.251 1.00 0.00 H new ATOM 0 HG13 ILE A 30 49.995 9.893 18.989 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.002 12.613 21.338 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.377 13.943 20.216 1.00 0.00 H new ATOM 0 HG23 ILE A 30 47.966 12.900 19.919 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.079 9.001 21.076 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.459 10.073 21.409 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.798 10.653 21.675 1.00 0.00 H new ATOM 741 N THR A 31 49.627 14.729 17.337 1.00 0.00 N ATOM 742 CA THR A 31 50.063 16.101 17.197 1.00 0.00 C ATOM 743 C THR A 31 49.389 17.005 18.245 1.00 0.00 C ATOM 744 O THR A 31 49.698 18.196 18.356 1.00 0.00 O ATOM 745 CB THR A 31 49.809 16.628 15.766 1.00 0.00 C ATOM 746 OG1 THR A 31 50.401 17.923 15.584 1.00 0.00 O ATOM 747 CG2 THR A 31 48.330 16.698 15.474 1.00 0.00 C ATOM 0 H THR A 31 48.689 14.541 16.983 1.00 0.00 H new ATOM 0 HA THR A 31 51.138 16.125 17.373 1.00 0.00 H new ATOM 0 HB THR A 31 50.273 15.929 15.070 1.00 0.00 H new ATOM 0 HG1 THR A 31 50.432 18.392 16.444 1.00 0.00 H new ATOM 0 HG21 THR A 31 48.176 17.072 14.462 1.00 0.00 H new ATOM 0 HG22 THR A 31 47.894 15.703 15.564 1.00 0.00 H new ATOM 0 HG23 THR A 31 47.850 17.370 16.185 1.00 0.00 H new ATOM 755 N GLY A 32 48.476 16.432 19.022 1.00 0.00 N ATOM 756 CA GLY A 32 47.818 17.200 20.054 1.00 0.00 C ATOM 757 C GLY A 32 46.582 16.522 20.595 1.00 0.00 C ATOM 758 O GLY A 32 46.145 15.490 20.071 1.00 0.00 O ATOM 0 H GLY A 32 48.184 15.457 18.954 1.00 0.00 H new ATOM 0 HA2 GLY A 32 48.518 17.374 20.872 1.00 0.00 H new ATOM 0 HA3 GLY A 32 47.545 18.177 19.654 1.00 0.00 H new ATOM 762 N PHE A 33 46.022 17.098 21.643 1.00 0.00 N ATOM 763 CA PHE A 33 44.822 16.577 22.266 1.00 0.00 C ATOM 764 C PHE A 33 43.631 17.452 21.926 1.00 0.00 C ATOM 765 O PHE A 33 43.711 18.683 21.984 1.00 0.00 O ATOM 766 CB PHE A 33 44.988 16.493 23.787 1.00 0.00 C ATOM 767 CG PHE A 33 45.947 15.430 24.245 1.00 0.00 C ATOM 768 CD1 PHE A 33 45.528 14.119 24.374 1.00 0.00 C ATOM 769 CD2 PHE A 33 47.263 15.743 24.553 1.00 0.00 C ATOM 770 CE1 PHE A 33 46.397 13.136 24.799 1.00 0.00 C ATOM 771 CE2 PHE A 33 48.139 14.763 24.982 1.00 0.00 C ATOM 772 CZ PHE A 33 47.704 13.456 25.104 1.00 0.00 C ATOM 0 H PHE A 33 46.388 17.941 22.086 1.00 0.00 H new ATOM 0 HA PHE A 33 44.650 15.572 21.880 1.00 0.00 H new ATOM 0 HB2 PHE A 33 45.330 17.459 24.158 1.00 0.00 H new ATOM 0 HB3 PHE A 33 44.013 16.306 24.238 1.00 0.00 H new ATOM 0 HD1 PHE A 33 44.506 13.861 24.139 1.00 0.00 H new ATOM 0 HD2 PHE A 33 47.607 16.762 24.457 1.00 0.00 H new ATOM 0 HE1 PHE A 33 46.055 12.116 24.893 1.00 0.00 H new ATOM 0 HE2 PHE A 33 49.161 15.018 25.221 1.00 0.00 H new ATOM 0 HZ PHE A 33 48.386 12.688 25.437 1.00 0.00 H new ATOM 782 N LYS A 34 42.541 16.825 21.569 1.00 0.00 N ATOM 783 CA LYS A 34 41.334 17.525 21.206 1.00 0.00 C ATOM 784 C LYS A 34 40.264 17.310 22.266 1.00 0.00 C ATOM 785 O LYS A 34 40.051 16.190 22.714 1.00 0.00 O ATOM 786 CB LYS A 34 40.821 16.999 19.865 1.00 0.00 C ATOM 787 CG LYS A 34 39.567 17.684 19.373 1.00 0.00 C ATOM 788 CD LYS A 34 38.807 16.815 18.388 1.00 0.00 C ATOM 789 CE LYS A 34 37.453 17.413 18.058 1.00 0.00 C ATOM 790 NZ LYS A 34 36.613 17.582 19.273 1.00 0.00 N ATOM 0 H LYS A 34 42.464 15.809 21.521 1.00 0.00 H new ATOM 0 HA LYS A 34 41.555 18.589 21.128 1.00 0.00 H new ATOM 0 HB2 LYS A 34 41.605 17.118 19.117 1.00 0.00 H new ATOM 0 HB3 LYS A 34 40.627 15.930 19.956 1.00 0.00 H new ATOM 0 HG2 LYS A 34 38.925 17.921 20.221 1.00 0.00 H new ATOM 0 HG3 LYS A 34 39.830 18.629 18.898 1.00 0.00 H new ATOM 0 HD2 LYS A 34 39.390 16.702 17.474 1.00 0.00 H new ATOM 0 HD3 LYS A 34 38.674 15.817 18.807 1.00 0.00 H new ATOM 0 HE2 LYS A 34 37.591 18.380 17.574 1.00 0.00 H new ATOM 0 HE3 LYS A 34 36.936 16.771 17.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 35.623 17.731 18.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 36.681 16.729 19.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 36.947 18.405 19.814 1.00 0.00 H new ATOM 804 N MET A 35 39.602 18.371 22.668 1.00 0.00 N ATOM 805 CA MET A 35 38.506 18.244 23.612 1.00 0.00 C ATOM 806 C MET A 35 37.246 17.828 22.861 1.00 0.00 C ATOM 807 O MET A 35 36.814 18.502 21.925 1.00 0.00 O ATOM 808 CB MET A 35 38.286 19.551 24.398 1.00 0.00 C ATOM 809 CG MET A 35 38.101 20.787 23.533 1.00 0.00 C ATOM 810 SD MET A 35 37.854 22.284 24.504 1.00 0.00 S ATOM 811 CE MET A 35 37.772 23.509 23.199 1.00 0.00 C ATOM 0 H MET A 35 39.797 19.324 22.362 1.00 0.00 H new ATOM 0 HA MET A 35 38.754 17.476 24.345 1.00 0.00 H new ATOM 0 HB2 MET A 35 37.408 19.434 25.033 1.00 0.00 H new ATOM 0 HB3 MET A 35 39.139 19.710 25.058 1.00 0.00 H new ATOM 0 HG2 MET A 35 38.976 20.913 22.895 1.00 0.00 H new ATOM 0 HG3 MET A 35 37.245 20.640 22.875 1.00 0.00 H new ATOM 0 HE1 MET A 35 37.621 24.496 23.636 1.00 0.00 H new ATOM 0 HE2 MET A 35 38.704 23.501 22.634 1.00 0.00 H new ATOM 0 HE3 MET A 35 36.941 23.276 22.533 1.00 0.00 H new ATOM 821 N THR A 36 36.679 16.707 23.242 1.00 0.00 N ATOM 822 CA THR A 36 35.521 16.184 22.553 1.00 0.00 C ATOM 823 C THR A 36 34.357 15.971 23.511 1.00 0.00 C ATOM 824 O THR A 36 34.443 15.171 24.444 1.00 0.00 O ATOM 825 CB THR A 36 35.866 14.864 21.830 1.00 0.00 C ATOM 826 OG1 THR A 36 36.982 15.081 20.945 1.00 0.00 O ATOM 827 CG2 THR A 36 34.681 14.348 21.024 1.00 0.00 C ATOM 0 H THR A 36 37.001 16.139 24.026 1.00 0.00 H new ATOM 0 HA THR A 36 35.218 16.922 21.810 1.00 0.00 H new ATOM 0 HB THR A 36 36.119 14.119 22.584 1.00 0.00 H new ATOM 0 HG1 THR A 36 37.204 14.244 20.486 1.00 0.00 H new ATOM 0 HG21 THR A 36 34.956 13.418 20.527 1.00 0.00 H new ATOM 0 HG22 THR A 36 33.838 14.167 21.691 1.00 0.00 H new ATOM 0 HG23 THR A 36 34.399 15.089 20.276 1.00 0.00 H new ATOM 835 N ASP A 37 33.277 16.703 23.271 1.00 0.00 N ATOM 836 CA ASP A 37 32.076 16.628 24.096 1.00 0.00 C ATOM 837 C ASP A 37 31.506 15.218 24.111 1.00 0.00 C ATOM 838 O ASP A 37 31.143 14.672 23.067 1.00 0.00 O ATOM 839 CB ASP A 37 31.021 17.610 23.579 1.00 0.00 C ATOM 840 CG ASP A 37 29.753 17.605 24.411 1.00 0.00 C ATOM 841 OD1 ASP A 37 29.737 18.253 25.476 1.00 0.00 O ATOM 842 OD2 ASP A 37 28.761 16.966 23.996 1.00 0.00 O ATOM 0 H ASP A 37 33.208 17.366 22.499 1.00 0.00 H new ATOM 0 HA ASP A 37 32.351 16.896 25.116 1.00 0.00 H new ATOM 0 HB2 ASP A 37 31.441 18.616 23.571 1.00 0.00 H new ATOM 0 HB3 ASP A 37 30.774 17.360 22.547 1.00 0.00 H new ATOM 847 N GLY A 38 31.454 14.628 25.289 1.00 0.00 N ATOM 848 CA GLY A 38 30.915 13.300 25.429 1.00 0.00 C ATOM 849 C GLY A 38 31.957 12.309 25.885 1.00 0.00 C ATOM 850 O GLY A 38 31.926 11.843 27.024 1.00 0.00 O ATOM 0 H GLY A 38 31.779 15.051 26.159 1.00 0.00 H new ATOM 0 HA2 GLY A 38 30.093 13.317 26.145 1.00 0.00 H new ATOM 0 HA3 GLY A 38 30.500 12.975 24.475 1.00 0.00 H new ATOM 854 N SER A 39 32.893 12.004 25.008 1.00 0.00 N ATOM 855 CA SER A 39 33.941 11.045 25.308 1.00 0.00 C ATOM 856 C SER A 39 35.024 11.662 26.189 1.00 0.00 C ATOM 857 O SER A 39 35.686 10.964 26.961 1.00 0.00 O ATOM 858 CB SER A 39 34.539 10.520 24.010 1.00 0.00 C ATOM 859 OG SER A 39 34.805 11.588 23.109 1.00 0.00 O ATOM 0 H SER A 39 32.950 12.410 24.074 1.00 0.00 H new ATOM 0 HA SER A 39 33.503 10.216 25.863 1.00 0.00 H new ATOM 0 HB2 SER A 39 35.461 9.979 24.222 1.00 0.00 H new ATOM 0 HB3 SER A 39 33.852 9.811 23.548 1.00 0.00 H new ATOM 0 HG SER A 39 35.231 11.235 22.300 1.00 0.00 H new ATOM 865 N GLY A 40 35.199 12.964 26.072 1.00 0.00 N ATOM 866 CA GLY A 40 36.191 13.646 26.860 1.00 0.00 C ATOM 867 C GLY A 40 37.346 14.138 26.022 1.00 0.00 C ATOM 868 O GLY A 40 37.377 15.303 25.608 1.00 0.00 O ATOM 0 H GLY A 40 34.667 13.563 25.441 1.00 0.00 H new ATOM 0 HA2 GLY A 40 35.729 14.491 27.370 1.00 0.00 H new ATOM 0 HA3 GLY A 40 36.565 12.973 27.632 1.00 0.00 H new ATOM 872 N VAL A 41 38.293 13.257 25.754 1.00 0.00 N ATOM 873 CA VAL A 41 39.467 13.622 24.990 1.00 0.00 C ATOM 874 C VAL A 41 39.561 12.832 23.691 1.00 0.00 C ATOM 875 O VAL A 41 39.388 11.613 23.672 1.00 0.00 O ATOM 876 CB VAL A 41 40.764 13.415 25.809 1.00 0.00 C ATOM 877 CG1 VAL A 41 41.992 13.802 24.997 1.00 0.00 C ATOM 878 CG2 VAL A 41 40.709 14.214 27.096 1.00 0.00 C ATOM 0 H VAL A 41 38.270 12.283 26.056 1.00 0.00 H new ATOM 0 HA VAL A 41 39.363 14.680 24.751 1.00 0.00 H new ATOM 0 HB VAL A 41 40.842 12.356 26.056 1.00 0.00 H new ATOM 0 HG11 VAL A 41 42.889 13.647 25.597 1.00 0.00 H new ATOM 0 HG12 VAL A 41 42.044 13.185 24.100 1.00 0.00 H new ATOM 0 HG13 VAL A 41 41.924 14.852 24.712 1.00 0.00 H new ATOM 0 HG21 VAL A 41 41.628 14.058 27.661 1.00 0.00 H new ATOM 0 HG22 VAL A 41 40.602 15.273 26.862 1.00 0.00 H new ATOM 0 HG23 VAL A 41 39.857 13.886 27.692 1.00 0.00 H new ATOM 888 N GLY A 42 39.816 13.544 22.615 1.00 0.00 N ATOM 889 CA GLY A 42 40.023 12.931 21.334 1.00 0.00 C ATOM 890 C GLY A 42 41.444 13.149 20.891 1.00 0.00 C ATOM 891 O GLY A 42 42.004 14.221 21.110 1.00 0.00 O ATOM 0 H GLY A 42 39.884 14.562 22.610 1.00 0.00 H new ATOM 0 HA2 GLY A 42 39.810 11.864 21.392 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.335 13.354 20.602 1.00 0.00 H new ATOM 895 N VAL A 43 42.038 12.161 20.293 1.00 0.00 N ATOM 896 CA VAL A 43 43.420 12.262 19.881 1.00 0.00 C ATOM 897 C VAL A 43 43.522 12.691 18.427 1.00 0.00 C ATOM 898 O VAL A 43 43.030 12.004 17.535 1.00 0.00 O ATOM 899 CB VAL A 43 44.157 10.916 20.069 1.00 0.00 C ATOM 900 CG1 VAL A 43 45.643 11.072 19.787 1.00 0.00 C ATOM 901 CG2 VAL A 43 43.931 10.372 21.473 1.00 0.00 C ATOM 0 H VAL A 43 41.592 11.270 20.075 1.00 0.00 H new ATOM 0 HA VAL A 43 43.892 13.016 20.511 1.00 0.00 H new ATOM 0 HB VAL A 43 43.748 10.201 19.355 1.00 0.00 H new ATOM 0 HG11 VAL A 43 46.142 10.113 19.925 1.00 0.00 H new ATOM 0 HG12 VAL A 43 45.785 11.410 18.761 1.00 0.00 H new ATOM 0 HG13 VAL A 43 46.069 11.805 20.473 1.00 0.00 H new ATOM 0 HG21 VAL A 43 44.458 9.424 21.585 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.309 11.086 22.205 1.00 0.00 H new ATOM 0 HG23 VAL A 43 42.865 10.216 21.635 1.00 0.00 H new ATOM 911 N ILE A 44 44.145 13.840 18.194 1.00 0.00 N ATOM 912 CA ILE A 44 44.363 14.322 16.840 1.00 0.00 C ATOM 913 C ILE A 44 45.600 13.647 16.268 1.00 0.00 C ATOM 914 O ILE A 44 46.739 13.991 16.623 1.00 0.00 O ATOM 915 CB ILE A 44 44.525 15.867 16.786 1.00 0.00 C ATOM 916 CG1 ILE A 44 43.246 16.556 17.260 1.00 0.00 C ATOM 917 CG2 ILE A 44 44.876 16.327 15.373 1.00 0.00 C ATOM 918 CD1 ILE A 44 42.069 16.370 16.328 1.00 0.00 C ATOM 0 H ILE A 44 44.507 14.453 18.925 1.00 0.00 H new ATOM 0 HA ILE A 44 43.485 14.072 16.245 1.00 0.00 H new ATOM 0 HB ILE A 44 45.342 16.145 17.452 1.00 0.00 H new ATOM 0 HG12 ILE A 44 42.981 16.172 18.245 1.00 0.00 H new ATOM 0 HG13 ILE A 44 43.441 17.622 17.376 1.00 0.00 H new ATOM 0 HG21 ILE A 44 44.984 17.412 15.360 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.813 15.865 15.062 1.00 0.00 H new ATOM 0 HG23 ILE A 44 44.082 16.033 14.687 1.00 0.00 H new ATOM 0 HD11 ILE A 44 41.199 16.888 16.732 1.00 0.00 H new ATOM 0 HD12 ILE A 44 42.312 16.781 15.348 1.00 0.00 H new ATOM 0 HD13 ILE A 44 41.846 15.307 16.231 1.00 0.00 H new ATOM 930 N VAL A 45 45.377 12.669 15.419 1.00 0.00 N ATOM 931 CA VAL A 45 46.459 11.898 14.853 1.00 0.00 C ATOM 932 C VAL A 45 46.749 12.312 13.419 1.00 0.00 C ATOM 933 O VAL A 45 45.837 12.430 12.601 1.00 0.00 O ATOM 934 CB VAL A 45 46.134 10.386 14.871 1.00 0.00 C ATOM 935 CG1 VAL A 45 47.350 9.567 14.468 1.00 0.00 C ATOM 936 CG2 VAL A 45 45.621 9.958 16.238 1.00 0.00 C ATOM 0 H VAL A 45 44.448 12.388 15.104 1.00 0.00 H new ATOM 0 HA VAL A 45 47.337 12.094 15.469 1.00 0.00 H new ATOM 0 HB VAL A 45 45.345 10.201 14.142 1.00 0.00 H new ATOM 0 HG11 VAL A 45 47.098 8.507 14.488 1.00 0.00 H new ATOM 0 HG12 VAL A 45 47.660 9.847 13.461 1.00 0.00 H new ATOM 0 HG13 VAL A 45 48.165 9.759 15.165 1.00 0.00 H new ATOM 0 HG21 VAL A 45 45.399 8.891 16.226 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.381 10.162 16.992 1.00 0.00 H new ATOM 0 HG23 VAL A 45 44.714 10.514 16.477 1.00 0.00 H new ATOM 946 N THR A 46 48.014 12.555 13.134 1.00 0.00 N ATOM 947 CA THR A 46 48.457 12.845 11.791 1.00 0.00 C ATOM 948 C THR A 46 49.096 11.586 11.215 1.00 0.00 C ATOM 949 O THR A 46 50.186 11.189 11.623 1.00 0.00 O ATOM 950 CB THR A 46 49.469 14.004 11.775 1.00 0.00 C ATOM 951 OG1 THR A 46 48.909 15.126 12.467 1.00 0.00 O ATOM 952 CG2 THR A 46 49.807 14.409 10.345 1.00 0.00 C ATOM 0 H THR A 46 48.760 12.556 13.829 1.00 0.00 H new ATOM 0 HA THR A 46 47.601 13.149 11.188 1.00 0.00 H new ATOM 0 HB THR A 46 50.385 13.676 12.267 1.00 0.00 H new ATOM 0 HG1 THR A 46 49.550 15.867 12.461 1.00 0.00 H new ATOM 0 HG21 THR A 46 50.524 15.230 10.359 1.00 0.00 H new ATOM 0 HG22 THR A 46 50.240 13.558 9.819 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.899 14.729 9.833 1.00 0.00 H new ATOM 960 N PHE A 47 48.401 10.954 10.294 1.00 0.00 N ATOM 961 CA PHE A 47 48.826 9.673 9.744 1.00 0.00 C ATOM 962 C PHE A 47 49.839 9.834 8.622 1.00 0.00 C ATOM 963 O PHE A 47 50.179 10.953 8.231 1.00 0.00 O ATOM 964 CB PHE A 47 47.613 8.901 9.233 1.00 0.00 C ATOM 965 CG PHE A 47 46.581 8.621 10.289 1.00 0.00 C ATOM 966 CD1 PHE A 47 45.631 9.573 10.619 1.00 0.00 C ATOM 967 CD2 PHE A 47 46.558 7.402 10.942 1.00 0.00 C ATOM 968 CE1 PHE A 47 44.679 9.314 11.582 1.00 0.00 C ATOM 969 CE2 PHE A 47 45.608 7.137 11.905 1.00 0.00 C ATOM 970 CZ PHE A 47 44.668 8.093 12.225 1.00 0.00 C ATOM 0 H PHE A 47 47.528 11.307 9.903 1.00 0.00 H new ATOM 0 HA PHE A 47 49.312 9.120 10.548 1.00 0.00 H new ATOM 0 HB2 PHE A 47 47.148 9.467 8.425 1.00 0.00 H new ATOM 0 HB3 PHE A 47 47.949 7.955 8.807 1.00 0.00 H new ATOM 0 HD1 PHE A 47 45.636 10.529 10.116 1.00 0.00 H new ATOM 0 HD2 PHE A 47 47.292 6.650 10.695 1.00 0.00 H new ATOM 0 HE1 PHE A 47 43.944 10.065 11.832 1.00 0.00 H new ATOM 0 HE2 PHE A 47 45.600 6.181 12.408 1.00 0.00 H new ATOM 0 HZ PHE A 47 43.923 7.886 12.979 1.00 0.00 H new ATOM 980 N ASP A 48 50.304 8.697 8.092 1.00 0.00 N ATOM 981 CA ASP A 48 51.259 8.675 6.977 1.00 0.00 C ATOM 982 C ASP A 48 50.611 9.226 5.714 1.00 0.00 C ATOM 983 O ASP A 48 51.289 9.570 4.743 1.00 0.00 O ATOM 984 CB ASP A 48 51.764 7.255 6.725 1.00 0.00 C ATOM 985 CG ASP A 48 50.678 6.325 6.217 1.00 0.00 C ATOM 986 OD1 ASP A 48 49.881 5.835 7.037 1.00 0.00 O ATOM 987 OD2 ASP A 48 50.624 6.073 4.993 1.00 0.00 O ATOM 0 H ASP A 48 50.031 7.771 8.421 1.00 0.00 H new ATOM 0 HA ASP A 48 52.108 9.304 7.245 1.00 0.00 H new ATOM 0 HB2 ASP A 48 52.577 7.287 6.000 1.00 0.00 H new ATOM 0 HB3 ASP A 48 52.178 6.852 7.650 1.00 0.00 H new ATOM 992 N ASP A 49 49.289 9.306 5.742 1.00 0.00 N ATOM 993 CA ASP A 49 48.517 9.878 4.649 1.00 0.00 C ATOM 994 C ASP A 49 48.614 11.406 4.703 1.00 0.00 C ATOM 995 O ASP A 49 48.121 12.111 3.821 1.00 0.00 O ATOM 996 CB ASP A 49 47.054 9.424 4.759 1.00 0.00 C ATOM 997 CG ASP A 49 46.180 9.918 3.621 1.00 0.00 C ATOM 998 OD1 ASP A 49 46.300 9.388 2.498 1.00 0.00 O ATOM 999 OD2 ASP A 49 45.343 10.818 3.854 1.00 0.00 O ATOM 0 H ASP A 49 48.721 8.976 6.523 1.00 0.00 H new ATOM 0 HA ASP A 49 48.916 9.535 3.695 1.00 0.00 H new ATOM 0 HB2 ASP A 49 47.021 8.335 4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 49 46.642 9.779 5.704 1.00 0.00 H new ATOM 1004 N ARG A 50 49.264 11.898 5.767 1.00 0.00 N ATOM 1005 CA ARG A 50 49.482 13.324 5.995 1.00 0.00 C ATOM 1006 C ARG A 50 48.182 14.050 6.296 1.00 0.00 C ATOM 1007 O ARG A 50 48.091 15.275 6.186 1.00 0.00 O ATOM 1008 CB ARG A 50 50.232 13.965 4.827 1.00 0.00 C ATOM 1009 CG ARG A 50 51.678 13.514 4.730 1.00 0.00 C ATOM 1010 CD ARG A 50 52.372 14.125 3.535 1.00 0.00 C ATOM 1011 NE ARG A 50 51.845 13.615 2.272 1.00 0.00 N ATOM 1012 CZ ARG A 50 51.835 14.301 1.135 1.00 0.00 C ATOM 1013 NH1 ARG A 50 52.283 15.552 1.103 1.00 0.00 N ATOM 1014 NH2 ARG A 50 51.375 13.737 0.027 1.00 0.00 N ATOM 0 H ARG A 50 49.656 11.306 6.499 1.00 0.00 H new ATOM 0 HA ARG A 50 50.112 13.421 6.879 1.00 0.00 H new ATOM 0 HB2 ARG A 50 49.719 13.723 3.896 1.00 0.00 H new ATOM 0 HB3 ARG A 50 50.202 15.049 4.935 1.00 0.00 H new ATOM 0 HG2 ARG A 50 52.208 13.792 5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 50 51.717 12.427 4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 50 52.256 15.208 3.564 1.00 0.00 H new ATOM 0 HD3 ARG A 50 53.440 13.917 3.592 1.00 0.00 H new ATOM 0 HE ARG A 50 51.460 12.671 2.263 1.00 0.00 H new ATOM 0 HH11 ARG A 50 52.636 15.989 1.954 1.00 0.00 H new ATOM 0 HH12 ARG A 50 52.273 16.075 0.227 1.00 0.00 H new ATOM 0 HH21 ARG A 50 51.029 12.778 0.049 1.00 0.00 H new ATOM 0 HH22 ARG A 50 51.367 14.263 -0.847 1.00 0.00 H new ATOM 1028 N SER A 51 47.189 13.289 6.690 1.00 0.00 N ATOM 1029 CA SER A 51 45.923 13.833 7.092 1.00 0.00 C ATOM 1030 C SER A 51 45.756 13.666 8.585 1.00 0.00 C ATOM 1031 O SER A 51 46.473 12.875 9.215 1.00 0.00 O ATOM 1032 CB SER A 51 44.790 13.149 6.342 1.00 0.00 C ATOM 1033 OG SER A 51 44.982 11.743 6.296 1.00 0.00 O ATOM 0 H SER A 51 47.241 12.272 6.739 1.00 0.00 H new ATOM 0 HA SER A 51 45.893 14.895 6.849 1.00 0.00 H new ATOM 0 HB2 SER A 51 43.841 13.374 6.828 1.00 0.00 H new ATOM 0 HB3 SER A 51 44.730 13.544 5.328 1.00 0.00 H new ATOM 0 HG SER A 51 44.808 11.419 5.388 1.00 0.00 H new ATOM 1039 N SER A 52 44.836 14.396 9.155 1.00 0.00 N ATOM 1040 CA SER A 52 44.616 14.332 10.566 1.00 0.00 C ATOM 1041 C SER A 52 43.179 13.956 10.873 1.00 0.00 C ATOM 1042 O SER A 52 42.252 14.396 10.192 1.00 0.00 O ATOM 1043 CB SER A 52 44.983 15.668 11.194 1.00 0.00 C ATOM 1044 OG SER A 52 44.210 16.724 10.643 1.00 0.00 O ATOM 0 H SER A 52 44.226 15.044 8.657 1.00 0.00 H new ATOM 0 HA SER A 52 45.251 13.556 10.993 1.00 0.00 H new ATOM 0 HB2 SER A 52 44.825 15.622 12.271 1.00 0.00 H new ATOM 0 HB3 SER A 52 46.043 15.868 11.036 1.00 0.00 H new ATOM 0 HG SER A 52 44.465 17.571 11.065 1.00 0.00 H new ATOM 1050 N THR A 53 43.001 13.117 11.864 1.00 0.00 N ATOM 1051 CA THR A 53 41.682 12.690 12.281 1.00 0.00 C ATOM 1052 C THR A 53 41.686 12.470 13.790 1.00 0.00 C ATOM 1053 O THR A 53 42.724 12.126 14.361 1.00 0.00 O ATOM 1054 CB THR A 53 41.275 11.376 11.567 1.00 0.00 C ATOM 1055 OG1 THR A 53 41.628 11.449 10.173 1.00 0.00 O ATOM 1056 CG2 THR A 53 39.774 11.138 11.686 1.00 0.00 C ATOM 0 H THR A 53 43.763 12.710 12.405 1.00 0.00 H new ATOM 0 HA THR A 53 40.961 13.462 12.014 1.00 0.00 H new ATOM 0 HB THR A 53 41.805 10.551 12.044 1.00 0.00 H new ATOM 0 HG1 THR A 53 40.813 11.512 9.632 1.00 0.00 H new ATOM 0 HG21 THR A 53 39.511 10.210 11.178 1.00 0.00 H new ATOM 0 HG22 THR A 53 39.499 11.065 12.738 1.00 0.00 H new ATOM 0 HG23 THR A 53 39.237 11.968 11.227 1.00 0.00 H new ATOM 1064 N TRP A 54 40.551 12.686 14.433 1.00 0.00 N ATOM 1065 CA TRP A 54 40.463 12.496 15.865 1.00 0.00 C ATOM 1066 C TRP A 54 39.840 11.149 16.188 1.00 0.00 C ATOM 1067 O TRP A 54 38.880 10.727 15.541 1.00 0.00 O ATOM 1068 CB TRP A 54 39.670 13.637 16.540 1.00 0.00 C ATOM 1069 CG TRP A 54 38.208 13.671 16.198 1.00 0.00 C ATOM 1070 CD1 TRP A 54 37.628 14.282 15.126 1.00 0.00 C ATOM 1071 CD2 TRP A 54 37.139 13.073 16.945 1.00 0.00 C ATOM 1072 NE1 TRP A 54 36.270 14.099 15.158 1.00 0.00 N ATOM 1073 CE2 TRP A 54 35.943 13.359 16.262 1.00 0.00 C ATOM 1074 CE3 TRP A 54 37.079 12.321 18.123 1.00 0.00 C ATOM 1075 CZ2 TRP A 54 34.703 12.919 16.716 1.00 0.00 C ATOM 1076 CZ3 TRP A 54 35.848 11.887 18.572 1.00 0.00 C ATOM 1077 CH2 TRP A 54 34.675 12.187 17.869 1.00 0.00 C ATOM 0 H TRP A 54 39.685 12.991 13.988 1.00 0.00 H new ATOM 0 HA TRP A 54 41.477 12.516 16.264 1.00 0.00 H new ATOM 0 HB2 TRP A 54 39.775 13.544 17.621 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.118 14.590 16.257 1.00 0.00 H new ATOM 0 HD1 TRP A 54 38.161 14.830 14.363 1.00 0.00 H new ATOM 0 HE1 TRP A 54 35.609 14.457 14.469 1.00 0.00 H new ATOM 0 HE3 TRP A 54 37.979 12.084 18.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 33.796 13.148 16.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 35.789 11.306 19.481 1.00 0.00 H new ATOM 0 HH2 TRP A 54 33.727 11.832 18.246 1.00 0.00 H new ATOM 1088 N PHE A 55 40.405 10.472 17.162 1.00 0.00 N ATOM 1089 CA PHE A 55 39.895 9.188 17.612 1.00 0.00 C ATOM 1090 C PHE A 55 39.897 9.139 19.125 1.00 0.00 C ATOM 1091 O PHE A 55 40.519 9.987 19.775 1.00 0.00 O ATOM 1092 CB PHE A 55 40.728 8.040 17.033 1.00 0.00 C ATOM 1093 CG PHE A 55 40.552 7.866 15.554 1.00 0.00 C ATOM 1094 CD1 PHE A 55 39.426 7.240 15.053 1.00 0.00 C ATOM 1095 CD2 PHE A 55 41.502 8.341 14.664 1.00 0.00 C ATOM 1096 CE1 PHE A 55 39.247 7.084 13.697 1.00 0.00 C ATOM 1097 CE2 PHE A 55 41.326 8.188 13.303 1.00 0.00 C ATOM 1098 CZ PHE A 55 40.198 7.559 12.821 1.00 0.00 C ATOM 0 H PHE A 55 41.231 10.792 17.667 1.00 0.00 H new ATOM 0 HA PHE A 55 38.871 9.072 17.256 1.00 0.00 H new ATOM 0 HB2 PHE A 55 41.781 8.221 17.248 1.00 0.00 H new ATOM 0 HB3 PHE A 55 40.455 7.112 17.536 1.00 0.00 H new ATOM 0 HD1 PHE A 55 38.676 6.868 15.735 1.00 0.00 H new ATOM 0 HD2 PHE A 55 42.387 8.835 15.038 1.00 0.00 H new ATOM 0 HE1 PHE A 55 38.363 6.590 13.321 1.00 0.00 H new ATOM 0 HE2 PHE A 55 42.072 8.561 12.616 1.00 0.00 H new ATOM 0 HZ PHE A 55 40.060 7.439 11.757 1.00 0.00 H new ATOM 1108 N PHE A 56 39.204 8.169 19.690 1.00 0.00 N ATOM 1109 CA PHE A 56 39.129 8.048 21.138 1.00 0.00 C ATOM 1110 C PHE A 56 40.472 7.604 21.727 1.00 0.00 C ATOM 1111 O PHE A 56 41.287 6.972 21.051 1.00 0.00 O ATOM 1112 CB PHE A 56 38.013 7.088 21.559 1.00 0.00 C ATOM 1113 CG PHE A 56 36.660 7.451 21.007 1.00 0.00 C ATOM 1114 CD1 PHE A 56 36.006 8.596 21.429 1.00 0.00 C ATOM 1115 CD2 PHE A 56 36.046 6.648 20.063 1.00 0.00 C ATOM 1116 CE1 PHE A 56 34.764 8.929 20.918 1.00 0.00 C ATOM 1117 CE2 PHE A 56 34.808 6.975 19.548 1.00 0.00 C ATOM 1118 CZ PHE A 56 34.166 8.118 19.976 1.00 0.00 C ATOM 0 H PHE A 56 38.687 7.456 19.175 1.00 0.00 H new ATOM 0 HA PHE A 56 38.893 9.035 21.536 1.00 0.00 H new ATOM 0 HB2 PHE A 56 38.270 6.081 21.232 1.00 0.00 H new ATOM 0 HB3 PHE A 56 37.957 7.065 22.647 1.00 0.00 H new ATOM 0 HD1 PHE A 56 36.470 9.236 22.165 1.00 0.00 H new ATOM 0 HD2 PHE A 56 36.543 5.751 19.724 1.00 0.00 H new ATOM 0 HE1 PHE A 56 34.263 9.824 21.257 1.00 0.00 H new ATOM 0 HE2 PHE A 56 34.343 6.337 18.811 1.00 0.00 H new ATOM 0 HZ PHE A 56 33.197 8.377 19.575 1.00 0.00 H new ATOM 1128 N GLU A 57 40.679 7.933 22.987 1.00 0.00 N ATOM 1129 CA GLU A 57 41.930 7.643 23.683 1.00 0.00 C ATOM 1130 C GLU A 57 42.257 6.139 23.750 1.00 0.00 C ATOM 1131 O GLU A 57 43.390 5.736 23.495 1.00 0.00 O ATOM 1132 CB GLU A 57 41.929 8.287 25.085 1.00 0.00 C ATOM 1133 CG GLU A 57 40.541 8.473 25.713 1.00 0.00 C ATOM 1134 CD GLU A 57 39.871 7.171 26.099 1.00 0.00 C ATOM 1135 OE1 GLU A 57 39.186 6.574 25.240 1.00 0.00 O ATOM 1136 OE2 GLU A 57 40.027 6.741 27.263 1.00 0.00 O ATOM 0 H GLU A 57 39.986 8.410 23.564 1.00 0.00 H new ATOM 0 HA GLU A 57 42.730 8.090 23.093 1.00 0.00 H new ATOM 0 HB2 GLU A 57 42.533 7.671 25.751 1.00 0.00 H new ATOM 0 HB3 GLU A 57 42.416 9.260 25.022 1.00 0.00 H new ATOM 0 HG2 GLU A 57 40.634 9.101 26.599 1.00 0.00 H new ATOM 0 HG3 GLU A 57 39.902 9.006 25.010 1.00 0.00 H new ATOM 1143 N ASP A 58 41.273 5.321 24.077 1.00 0.00 N ATOM 1144 CA ASP A 58 41.484 3.870 24.173 1.00 0.00 C ATOM 1145 C ASP A 58 41.146 3.189 22.843 1.00 0.00 C ATOM 1146 O ASP A 58 41.031 1.966 22.754 1.00 0.00 O ATOM 1147 CB ASP A 58 40.640 3.289 25.317 1.00 0.00 C ATOM 1148 CG ASP A 58 40.957 1.832 25.614 1.00 0.00 C ATOM 1149 OD1 ASP A 58 42.059 1.550 26.133 1.00 0.00 O ATOM 1150 OD2 ASP A 58 40.096 0.963 25.342 1.00 0.00 O ATOM 0 H ASP A 58 40.321 5.625 24.281 1.00 0.00 H new ATOM 0 HA ASP A 58 42.535 3.681 24.390 1.00 0.00 H new ATOM 0 HB2 ASP A 58 40.804 3.881 26.218 1.00 0.00 H new ATOM 0 HB3 ASP A 58 39.584 3.380 25.063 1.00 0.00 H new ATOM 1155 N GLU A 59 41.003 3.992 21.812 1.00 0.00 N ATOM 1156 CA GLU A 59 40.682 3.502 20.484 1.00 0.00 C ATOM 1157 C GLU A 59 41.954 3.367 19.642 1.00 0.00 C ATOM 1158 O GLU A 59 42.013 2.584 18.681 1.00 0.00 O ATOM 1159 CB GLU A 59 39.663 4.445 19.845 1.00 0.00 C ATOM 1160 CG GLU A 59 39.353 4.202 18.396 1.00 0.00 C ATOM 1161 CD GLU A 59 38.141 4.985 17.961 1.00 0.00 C ATOM 1162 OE1 GLU A 59 38.233 6.225 17.886 1.00 0.00 O ATOM 1163 OE2 GLU A 59 37.083 4.364 17.732 1.00 0.00 O ATOM 0 H GLU A 59 41.106 5.005 21.868 1.00 0.00 H new ATOM 0 HA GLU A 59 40.240 2.507 20.545 1.00 0.00 H new ATOM 0 HB2 GLU A 59 38.733 4.379 20.410 1.00 0.00 H new ATOM 0 HB3 GLU A 59 40.028 5.467 19.951 1.00 0.00 H new ATOM 0 HG2 GLU A 59 40.211 4.484 17.785 1.00 0.00 H new ATOM 0 HG3 GLU A 59 39.181 3.138 18.231 1.00 0.00 H new ATOM 1170 N VAL A 60 42.981 4.093 20.033 1.00 0.00 N ATOM 1171 CA VAL A 60 44.252 4.044 19.343 1.00 0.00 C ATOM 1172 C VAL A 60 45.321 3.412 20.231 1.00 0.00 C ATOM 1173 O VAL A 60 45.285 3.544 21.456 1.00 0.00 O ATOM 1174 CB VAL A 60 44.712 5.450 18.882 1.00 0.00 C ATOM 1175 CG1 VAL A 60 43.792 5.986 17.799 1.00 0.00 C ATOM 1176 CG2 VAL A 60 44.768 6.415 20.058 1.00 0.00 C ATOM 0 H VAL A 60 42.959 4.728 20.831 1.00 0.00 H new ATOM 0 HA VAL A 60 44.113 3.428 18.454 1.00 0.00 H new ATOM 0 HB VAL A 60 45.716 5.358 18.468 1.00 0.00 H new ATOM 0 HG11 VAL A 60 44.132 6.974 17.489 1.00 0.00 H new ATOM 0 HG12 VAL A 60 43.807 5.312 16.943 1.00 0.00 H new ATOM 0 HG13 VAL A 60 42.776 6.057 18.187 1.00 0.00 H new ATOM 0 HG21 VAL A 60 45.093 7.395 19.709 1.00 0.00 H new ATOM 0 HG22 VAL A 60 43.778 6.500 20.507 1.00 0.00 H new ATOM 0 HG23 VAL A 60 45.473 6.042 20.801 1.00 0.00 H new ATOM 1186 N GLU A 61 46.247 2.710 19.613 1.00 0.00 N ATOM 1187 CA GLU A 61 47.316 2.037 20.335 1.00 0.00 C ATOM 1188 C GLU A 61 48.618 2.823 20.223 1.00 0.00 C ATOM 1189 O GLU A 61 48.934 3.359 19.162 1.00 0.00 O ATOM 1190 CB GLU A 61 47.511 0.621 19.776 1.00 0.00 C ATOM 1191 CG GLU A 61 47.921 0.602 18.311 1.00 0.00 C ATOM 1192 CD GLU A 61 48.011 -0.785 17.734 1.00 0.00 C ATOM 1193 OE1 GLU A 61 48.887 -1.559 18.159 1.00 0.00 O ATOM 1194 OE2 GLU A 61 47.227 -1.102 16.826 1.00 0.00 O ATOM 0 H GLU A 61 46.284 2.587 18.601 1.00 0.00 H new ATOM 0 HA GLU A 61 47.039 1.975 21.387 1.00 0.00 H new ATOM 0 HB2 GLU A 61 48.271 0.107 20.365 1.00 0.00 H new ATOM 0 HB3 GLU A 61 46.583 0.061 19.894 1.00 0.00 H new ATOM 0 HG2 GLU A 61 47.202 1.182 17.733 1.00 0.00 H new ATOM 0 HG3 GLU A 61 48.887 1.095 18.205 1.00 0.00 H new ATOM 1201 N VAL A 62 49.358 2.899 21.318 1.00 0.00 N ATOM 1202 CA VAL A 62 50.639 3.596 21.327 1.00 0.00 C ATOM 1203 C VAL A 62 51.716 2.698 20.725 1.00 0.00 C ATOM 1204 O VAL A 62 51.915 1.567 21.178 1.00 0.00 O ATOM 1205 CB VAL A 62 51.048 4.001 22.762 1.00 0.00 C ATOM 1206 CG1 VAL A 62 52.308 4.851 22.744 1.00 0.00 C ATOM 1207 CG2 VAL A 62 49.912 4.739 23.454 1.00 0.00 C ATOM 0 H VAL A 62 49.095 2.487 22.213 1.00 0.00 H new ATOM 0 HA VAL A 62 50.535 4.503 20.732 1.00 0.00 H new ATOM 0 HB VAL A 62 51.260 3.092 23.325 1.00 0.00 H new ATOM 0 HG11 VAL A 62 52.577 5.124 23.764 1.00 0.00 H new ATOM 0 HG12 VAL A 62 53.123 4.284 22.293 1.00 0.00 H new ATOM 0 HG13 VAL A 62 52.129 5.755 22.162 1.00 0.00 H new ATOM 0 HG21 VAL A 62 50.219 5.016 24.463 1.00 0.00 H new ATOM 0 HG22 VAL A 62 49.666 5.639 22.890 1.00 0.00 H new ATOM 0 HG23 VAL A 62 49.036 4.092 23.506 1.00 0.00 H new ATOM 1217 N VAL A 63 52.413 3.200 19.718 1.00 0.00 N ATOM 1218 CA VAL A 63 53.405 2.410 19.000 1.00 0.00 C ATOM 1219 C VAL A 63 54.635 3.243 18.676 1.00 0.00 C ATOM 1220 O VAL A 63 54.605 4.470 18.757 1.00 0.00 O ATOM 1221 CB VAL A 63 52.832 1.817 17.677 1.00 0.00 C ATOM 1222 CG1 VAL A 63 51.709 0.834 17.961 1.00 0.00 C ATOM 1223 CG2 VAL A 63 52.351 2.921 16.746 1.00 0.00 C ATOM 0 H VAL A 63 52.310 4.156 19.377 1.00 0.00 H new ATOM 0 HA VAL A 63 53.682 1.588 19.659 1.00 0.00 H new ATOM 0 HB VAL A 63 53.639 1.279 17.180 1.00 0.00 H new ATOM 0 HG11 VAL A 63 51.328 0.436 17.021 1.00 0.00 H new ATOM 0 HG12 VAL A 63 52.088 0.016 18.575 1.00 0.00 H new ATOM 0 HG13 VAL A 63 50.905 1.344 18.492 1.00 0.00 H new ATOM 0 HG21 VAL A 63 51.956 2.479 15.831 1.00 0.00 H new ATOM 0 HG22 VAL A 63 51.567 3.496 17.238 1.00 0.00 H new ATOM 0 HG23 VAL A 63 53.185 3.579 16.501 1.00 0.00 H new ATOM 1233 N GLY A 64 55.718 2.570 18.326 1.00 0.00 N ATOM 1234 CA GLY A 64 56.935 3.262 17.979 1.00 0.00 C ATOM 1235 C GLY A 64 57.618 3.836 19.191 1.00 0.00 C ATOM 1236 O GLY A 64 57.504 3.234 20.282 1.00 0.00 O ATOM 1237 OXT GLY A 64 58.256 4.899 19.075 1.00 0.00 O ATOM 0 H GLY A 64 55.774 1.553 18.276 1.00 0.00 H new ATOM 0 HA2 GLY A 64 57.612 2.574 17.472 1.00 0.00 H new ATOM 0 HA3 GLY A 64 56.709 4.063 17.276 1.00 0.00 H new