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 -139:sc= 0.947 USER MOD Set 1.2: A 46 THR OG1 : rot -160:sc= 0.819 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 142:sc= 1.31 (180deg=0.942) USER MOD Set 2.2: A 26 GLN : amide:sc= 1.41 K(o=2.7,f=0.1) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 139:sc= 0.143 (180deg=-0.219) USER MOD Set 3.2: A 29 GLN : amide:sc= -0.281 K(o=-0.14,f=-1.4!) USER MOD Single : A 1 MET CE :methyl 173:sc= -2.5 (180deg=-2.6!) USER MOD Single : A 5 GLN : amide:sc= 0.442 K(o=0.44,f=-0.13) USER MOD Single : A -3 ILE N :NH3+ 179:sc= -0.534 (180deg=-0.562) USER MOD Single : A 10 CYS SG : rot -66:sc= -0.668! USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0761) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -16:sc= 0.405 USER MOD Single : A 39 SER OG : rot -80:sc= 0.997 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 28:sc= 0.0667 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0912 USER MOD ----------------------------------------------------------------- ATOM 181 N ILE A -3 45.551 9.827 30.332 1.00 0.00 N ATOM 182 CA ILE A -3 46.262 9.988 29.076 1.00 0.00 C ATOM 183 C ILE A -3 47.521 10.823 29.254 1.00 0.00 C ATOM 184 O ILE A -3 48.349 10.900 28.354 1.00 0.00 O ATOM 185 CB ILE A -3 45.376 10.642 27.991 1.00 0.00 C ATOM 186 CG1 ILE A -3 44.858 12.008 28.459 1.00 0.00 C ATOM 187 CG2 ILE A -3 44.217 9.721 27.622 1.00 0.00 C ATOM 188 CD1 ILE A -3 44.094 12.767 27.396 1.00 0.00 C ATOM 0 H1 ILE A -3 44.689 9.267 30.174 1.00 0.00 H new ATOM 0 H2 ILE A -3 46.162 9.336 31.016 1.00 0.00 H new ATOM 0 H3 ILE A -3 45.293 10.762 30.707 1.00 0.00 H new ATOM 0 HA ILE A -3 46.536 8.985 28.750 1.00 0.00 H new ATOM 0 HB ILE A -3 45.986 10.800 27.101 1.00 0.00 H new ATOM 0 HG12 ILE A -3 44.212 11.864 29.325 1.00 0.00 H new ATOM 0 HG13 ILE A -3 45.703 12.613 28.788 1.00 0.00 H new ATOM 0 HG21 ILE A -3 43.603 10.197 26.857 1.00 0.00 H new ATOM 0 HG22 ILE A -3 44.609 8.779 27.239 1.00 0.00 H new ATOM 0 HG23 ILE A -3 43.610 9.528 28.506 1.00 0.00 H new ATOM 0 HD11 ILE A -3 43.760 13.722 27.801 1.00 0.00 H new ATOM 0 HD12 ILE A -3 44.743 12.943 26.538 1.00 0.00 H new ATOM 0 HD13 ILE A -3 43.229 12.183 27.083 1.00 0.00 H new ATOM 200 N GLU A -2 47.662 11.426 30.432 1.00 0.00 N ATOM 201 CA GLU A -2 48.795 12.289 30.739 1.00 0.00 C ATOM 202 C GLU A -2 50.114 11.552 30.542 1.00 0.00 C ATOM 203 O GLU A -2 51.018 12.050 29.878 1.00 0.00 O ATOM 204 CB GLU A -2 48.699 12.792 32.181 1.00 0.00 C ATOM 205 CG GLU A -2 49.691 13.892 32.516 1.00 0.00 C ATOM 206 CD GLU A -2 49.727 14.205 33.991 1.00 0.00 C ATOM 207 OE1 GLU A -2 48.746 14.775 34.511 1.00 0.00 O ATOM 208 OE2 GLU A -2 50.739 13.877 34.646 1.00 0.00 O ATOM 0 H GLU A -2 46.995 11.329 31.197 1.00 0.00 H new ATOM 0 HA GLU A -2 48.766 13.137 30.055 1.00 0.00 H new ATOM 0 HB2 GLU A -2 47.689 13.160 32.361 1.00 0.00 H new ATOM 0 HB3 GLU A -2 48.858 11.954 32.859 1.00 0.00 H new ATOM 0 HG2 GLU A -2 50.686 13.593 32.187 1.00 0.00 H new ATOM 0 HG3 GLU A -2 49.430 14.794 31.962 1.00 0.00 H new ATOM 215 N GLY A -1 50.208 10.361 31.108 1.00 0.00 N ATOM 216 CA GLY A -1 51.431 9.603 31.010 1.00 0.00 C ATOM 217 C GLY A -1 51.341 8.447 30.039 1.00 0.00 C ATOM 218 O GLY A -1 52.085 7.475 30.161 1.00 0.00 O ATOM 0 H GLY A -1 49.460 9.908 31.632 1.00 0.00 H new ATOM 0 HA2 GLY A -1 52.238 10.267 30.700 1.00 0.00 H new ATOM 0 HA3 GLY A -1 51.694 9.221 31.996 1.00 0.00 H new ATOM 222 N ARG A 0 50.424 8.531 29.086 1.00 0.00 N ATOM 223 CA ARG A 0 50.270 7.472 28.080 1.00 0.00 C ATOM 224 C ARG A 0 50.308 8.060 26.698 1.00 0.00 C ATOM 225 O ARG A 0 51.012 7.571 25.816 1.00 0.00 O ATOM 226 CB ARG A 0 48.942 6.729 28.246 1.00 0.00 C ATOM 227 CG ARG A 0 48.651 6.277 29.649 1.00 0.00 C ATOM 228 CD ARG A 0 49.732 5.347 30.177 1.00 0.00 C ATOM 229 NE ARG A 0 49.453 4.907 31.542 1.00 0.00 N ATOM 230 CZ ARG A 0 50.205 5.201 32.606 1.00 0.00 C ATOM 231 NH1 ARG A 0 51.297 5.958 32.478 1.00 0.00 N ATOM 232 NH2 ARG A 0 49.862 4.741 33.798 1.00 0.00 N ATOM 0 H ARG A 0 49.776 9.312 28.982 1.00 0.00 H new ATOM 0 HA ARG A 0 51.093 6.772 28.221 1.00 0.00 H new ATOM 0 HB2 ARG A 0 48.133 7.378 27.912 1.00 0.00 H new ATOM 0 HB3 ARG A 0 48.943 5.858 27.590 1.00 0.00 H new ATOM 0 HG2 ARG A 0 48.569 7.146 30.301 1.00 0.00 H new ATOM 0 HG3 ARG A 0 47.688 5.767 29.674 1.00 0.00 H new ATOM 0 HD2 ARG A 0 49.813 4.477 29.525 1.00 0.00 H new ATOM 0 HD3 ARG A 0 50.695 5.857 30.150 1.00 0.00 H new ATOM 0 HE ARG A 0 48.623 4.333 31.693 1.00 0.00 H new ATOM 0 HH11 ARG A 0 51.564 6.318 31.562 1.00 0.00 H new ATOM 0 HH12 ARG A 0 51.865 6.177 33.297 1.00 0.00 H new ATOM 0 HH21 ARG A 0 49.027 4.165 33.901 1.00 0.00 H new ATOM 0 HH22 ARG A 0 50.433 4.963 34.614 1.00 0.00 H new ATOM 246 N MET A 1 49.548 9.117 26.519 1.00 0.00 N ATOM 247 CA MET A 1 49.424 9.754 25.241 1.00 0.00 C ATOM 248 C MET A 1 50.274 11.013 25.219 1.00 0.00 C ATOM 249 O MET A 1 50.113 11.893 26.063 1.00 0.00 O ATOM 250 CB MET A 1 47.954 10.095 24.969 1.00 0.00 C ATOM 251 CG MET A 1 46.985 8.966 25.309 1.00 0.00 C ATOM 252 SD MET A 1 47.224 7.487 24.309 1.00 0.00 S ATOM 253 CE MET A 1 46.762 8.084 22.690 1.00 0.00 C ATOM 0 H MET A 1 49.001 9.554 27.260 1.00 0.00 H new ATOM 0 HA MET A 1 49.773 9.077 24.461 1.00 0.00 H new ATOM 0 HB2 MET A 1 47.683 10.979 25.546 1.00 0.00 H new ATOM 0 HB3 MET A 1 47.840 10.354 23.916 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.098 8.705 26.361 1.00 0.00 H new ATOM 0 HG3 MET A 1 45.964 9.323 25.177 1.00 0.00 H new ATOM 0 HE1 MET A 1 46.977 7.318 21.945 1.00 0.00 H new ATOM 0 HE2 MET A 1 45.697 8.314 22.677 1.00 0.00 H new ATOM 0 HE3 MET A 1 47.330 8.985 22.459 1.00 0.00 H new ATOM 263 N ASP A 2 51.181 11.093 24.269 1.00 0.00 N ATOM 264 CA ASP A 2 52.081 12.231 24.178 1.00 0.00 C ATOM 265 C ASP A 2 52.275 12.654 22.733 1.00 0.00 C ATOM 266 O ASP A 2 52.330 11.812 21.835 1.00 0.00 O ATOM 267 CB ASP A 2 53.433 11.881 24.809 1.00 0.00 C ATOM 268 CG ASP A 2 54.448 12.998 24.687 1.00 0.00 C ATOM 269 OD1 ASP A 2 54.316 14.004 25.405 1.00 0.00 O ATOM 270 OD2 ASP A 2 55.397 12.857 23.887 1.00 0.00 O ATOM 0 H ASP A 2 51.317 10.385 23.547 1.00 0.00 H new ATOM 0 HA ASP A 2 51.636 13.065 24.721 1.00 0.00 H new ATOM 0 HB2 ASP A 2 53.286 11.644 25.863 1.00 0.00 H new ATOM 0 HB3 ASP A 2 53.829 10.984 24.333 1.00 0.00 H new ATOM 275 N VAL A 3 52.364 13.956 22.510 1.00 0.00 N ATOM 276 CA VAL A 3 52.583 14.484 21.175 1.00 0.00 C ATOM 277 C VAL A 3 53.961 14.072 20.663 1.00 0.00 C ATOM 278 O VAL A 3 54.969 14.242 21.347 1.00 0.00 O ATOM 279 CB VAL A 3 52.430 16.025 21.129 1.00 0.00 C ATOM 280 CG1 VAL A 3 50.989 16.419 21.396 1.00 0.00 C ATOM 281 CG2 VAL A 3 53.354 16.700 22.134 1.00 0.00 C ATOM 0 H VAL A 3 52.288 14.666 23.238 1.00 0.00 H new ATOM 0 HA VAL A 3 51.817 14.060 20.525 1.00 0.00 H new ATOM 0 HB VAL A 3 52.711 16.361 20.131 1.00 0.00 H new ATOM 0 HG11 VAL A 3 50.896 17.504 21.361 1.00 0.00 H new ATOM 0 HG12 VAL A 3 50.344 15.975 20.638 1.00 0.00 H new ATOM 0 HG13 VAL A 3 50.691 16.061 22.381 1.00 0.00 H new ATOM 0 HG21 VAL A 3 53.224 17.781 22.079 1.00 0.00 H new ATOM 0 HG22 VAL A 3 53.111 16.356 23.140 1.00 0.00 H new ATOM 0 HG23 VAL A 3 54.389 16.446 21.904 1.00 0.00 H new ATOM 291 N GLY A 4 53.995 13.520 19.473 1.00 0.00 N ATOM 292 CA GLY A 4 55.237 13.022 18.924 1.00 0.00 C ATOM 293 C GLY A 4 55.253 11.512 18.916 1.00 0.00 C ATOM 294 O GLY A 4 55.964 10.888 18.129 1.00 0.00 O ATOM 0 H GLY A 4 53.182 13.404 18.868 1.00 0.00 H new ATOM 0 HA2 GLY A 4 55.367 13.397 17.909 1.00 0.00 H new ATOM 0 HA3 GLY A 4 56.075 13.396 19.512 1.00 0.00 H new ATOM 298 N GLN A 5 54.460 10.927 19.801 1.00 0.00 N ATOM 299 CA GLN A 5 54.321 9.488 19.873 1.00 0.00 C ATOM 300 C GLN A 5 53.388 9.005 18.789 1.00 0.00 C ATOM 301 O GLN A 5 52.489 9.737 18.358 1.00 0.00 O ATOM 302 CB GLN A 5 53.806 9.063 21.252 1.00 0.00 C ATOM 303 CG GLN A 5 54.894 8.959 22.305 1.00 0.00 C ATOM 304 CD GLN A 5 55.750 7.722 22.115 1.00 0.00 C ATOM 305 OE1 GLN A 5 55.476 6.673 22.694 1.00 0.00 O ATOM 306 NE2 GLN A 5 56.775 7.832 21.294 1.00 0.00 N ATOM 0 H GLN A 5 53.899 11.437 20.484 1.00 0.00 H new ATOM 0 HA GLN A 5 55.301 9.035 19.722 1.00 0.00 H new ATOM 0 HB2 GLN A 5 53.056 9.780 21.587 1.00 0.00 H new ATOM 0 HB3 GLN A 5 53.307 8.098 21.162 1.00 0.00 H new ATOM 0 HG2 GLN A 5 55.525 9.847 22.264 1.00 0.00 H new ATOM 0 HG3 GLN A 5 54.439 8.937 23.295 1.00 0.00 H new ATOM 0 HE21 GLN A 5 56.967 8.722 20.834 1.00 0.00 H new ATOM 0 HE22 GLN A 5 57.377 7.027 21.119 1.00 0.00 H new ATOM 315 N LYS A 6 53.600 7.797 18.338 1.00 0.00 N ATOM 316 CA LYS A 6 52.785 7.243 17.293 1.00 0.00 C ATOM 317 C LYS A 6 51.683 6.386 17.866 1.00 0.00 C ATOM 318 O LYS A 6 51.835 5.783 18.921 1.00 0.00 O ATOM 319 CB LYS A 6 53.638 6.456 16.299 1.00 0.00 C ATOM 320 CG LYS A 6 54.512 7.346 15.434 1.00 0.00 C ATOM 321 CD LYS A 6 55.326 6.538 14.442 1.00 0.00 C ATOM 322 CE LYS A 6 56.179 7.442 13.563 1.00 0.00 C ATOM 323 NZ LYS A 6 57.151 8.239 14.358 1.00 0.00 N ATOM 0 H LYS A 6 54.334 7.177 18.681 1.00 0.00 H new ATOM 0 HA LYS A 6 52.318 8.067 16.753 1.00 0.00 H new ATOM 0 HB2 LYS A 6 54.270 5.756 16.845 1.00 0.00 H new ATOM 0 HB3 LYS A 6 52.985 5.863 15.658 1.00 0.00 H new ATOM 0 HG2 LYS A 6 53.887 8.059 14.897 1.00 0.00 H new ATOM 0 HG3 LYS A 6 55.182 7.925 16.069 1.00 0.00 H new ATOM 0 HD2 LYS A 6 55.967 5.838 14.978 1.00 0.00 H new ATOM 0 HD3 LYS A 6 54.658 5.945 13.818 1.00 0.00 H new ATOM 0 HE2 LYS A 6 56.718 6.836 12.835 1.00 0.00 H new ATOM 0 HE3 LYS A 6 55.532 8.116 13.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 58.064 8.269 13.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 56.790 9.207 14.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 57.279 7.799 15.292 1.00 0.00 H new ATOM 337 N VAL A 7 50.570 6.357 17.183 1.00 0.00 N ATOM 338 CA VAL A 7 49.431 5.583 17.612 1.00 0.00 C ATOM 339 C VAL A 7 48.785 4.890 16.436 1.00 0.00 C ATOM 340 O VAL A 7 48.817 5.387 15.312 1.00 0.00 O ATOM 341 CB VAL A 7 48.371 6.444 18.345 1.00 0.00 C ATOM 342 CG1 VAL A 7 48.846 6.823 19.734 1.00 0.00 C ATOM 343 CG2 VAL A 7 48.039 7.686 17.542 1.00 0.00 C ATOM 0 H VAL A 7 50.425 6.869 16.313 1.00 0.00 H new ATOM 0 HA VAL A 7 49.808 4.842 18.318 1.00 0.00 H new ATOM 0 HB VAL A 7 47.465 5.846 18.446 1.00 0.00 H new ATOM 0 HG11 VAL A 7 48.084 7.427 20.227 1.00 0.00 H new ATOM 0 HG12 VAL A 7 49.026 5.919 20.316 1.00 0.00 H new ATOM 0 HG13 VAL A 7 49.770 7.396 19.659 1.00 0.00 H new ATOM 0 HG21 VAL A 7 47.293 8.275 18.075 1.00 0.00 H new ATOM 0 HG22 VAL A 7 48.941 8.282 17.404 1.00 0.00 H new ATOM 0 HG23 VAL A 7 47.644 7.395 16.569 1.00 0.00 H new ATOM 353 N ARG A 8 48.219 3.745 16.693 1.00 0.00 N ATOM 354 CA ARG A 8 47.556 2.980 15.667 1.00 0.00 C ATOM 355 C ARG A 8 46.126 2.705 16.077 1.00 0.00 C ATOM 356 O ARG A 8 45.869 2.322 17.215 1.00 0.00 O ATOM 357 CB ARG A 8 48.314 1.674 15.419 1.00 0.00 C ATOM 358 CG ARG A 8 47.672 0.756 14.392 1.00 0.00 C ATOM 359 CD ARG A 8 48.589 -0.407 14.049 1.00 0.00 C ATOM 360 NE ARG A 8 48.979 -1.177 15.238 1.00 0.00 N ATOM 361 CZ ARG A 8 50.064 -1.956 15.306 1.00 0.00 C ATOM 362 NH1 ARG A 8 50.835 -2.124 14.238 1.00 0.00 N ATOM 363 NH2 ARG A 8 50.373 -2.571 16.441 1.00 0.00 N ATOM 0 H ARG A 8 48.202 3.313 17.617 1.00 0.00 H new ATOM 0 HA ARG A 8 47.545 3.551 14.738 1.00 0.00 H new ATOM 0 HB2 ARG A 8 49.326 1.913 15.091 1.00 0.00 H new ATOM 0 HB3 ARG A 8 48.403 1.136 16.363 1.00 0.00 H new ATOM 0 HG2 ARG A 8 46.727 0.376 14.780 1.00 0.00 H new ATOM 0 HG3 ARG A 8 47.442 1.321 13.488 1.00 0.00 H new ATOM 0 HD2 ARG A 8 48.087 -1.066 13.340 1.00 0.00 H new ATOM 0 HD3 ARG A 8 49.483 -0.028 13.554 1.00 0.00 H new ATOM 0 HE ARG A 8 48.384 -1.113 16.064 1.00 0.00 H new ATOM 0 HH11 ARG A 8 50.601 -1.658 13.361 1.00 0.00 H new ATOM 0 HH12 ARG A 8 51.662 -2.719 14.294 1.00 0.00 H new ATOM 0 HH21 ARG A 8 49.782 -2.450 17.264 1.00 0.00 H new ATOM 0 HH22 ARG A 8 51.201 -3.165 16.490 1.00 0.00 H new ATOM 377 N VAL A 9 45.198 2.928 15.165 1.00 0.00 N ATOM 378 CA VAL A 9 43.793 2.686 15.443 1.00 0.00 C ATOM 379 C VAL A 9 43.528 1.191 15.427 1.00 0.00 C ATOM 380 O VAL A 9 43.582 0.558 14.375 1.00 0.00 O ATOM 381 CB VAL A 9 42.884 3.380 14.409 1.00 0.00 C ATOM 382 CG1 VAL A 9 41.436 3.369 14.873 1.00 0.00 C ATOM 383 CG2 VAL A 9 43.358 4.801 14.148 1.00 0.00 C ATOM 0 H VAL A 9 45.391 3.276 14.226 1.00 0.00 H new ATOM 0 HA VAL A 9 43.564 3.100 16.425 1.00 0.00 H new ATOM 0 HB VAL A 9 42.943 2.825 13.473 1.00 0.00 H new ATOM 0 HG11 VAL A 9 40.812 3.864 14.129 1.00 0.00 H new ATOM 0 HG12 VAL A 9 41.102 2.339 15.000 1.00 0.00 H new ATOM 0 HG13 VAL A 9 41.354 3.896 15.823 1.00 0.00 H new ATOM 0 HG21 VAL A 9 42.704 5.274 13.416 1.00 0.00 H new ATOM 0 HG22 VAL A 9 43.333 5.369 15.078 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.378 4.780 13.763 1.00 0.00 H new ATOM 393 N CYS A 10 43.265 0.633 16.588 1.00 0.00 N ATOM 394 CA CYS A 10 43.073 -0.802 16.716 1.00 0.00 C ATOM 395 C CYS A 10 41.624 -1.190 16.506 1.00 0.00 C ATOM 396 O CYS A 10 41.324 -2.207 15.880 1.00 0.00 O ATOM 397 CB CYS A 10 43.510 -1.257 18.102 1.00 0.00 C ATOM 398 SG CYS A 10 45.010 -0.464 18.696 1.00 0.00 S ATOM 0 H CYS A 10 43.178 1.150 17.463 1.00 0.00 H new ATOM 0 HA CYS A 10 43.676 -1.287 15.949 1.00 0.00 H new ATOM 0 HB2 CYS A 10 42.704 -1.060 18.808 1.00 0.00 H new ATOM 0 HB3 CYS A 10 43.664 -2.336 18.087 1.00 0.00 H new ATOM 0 HG CYS A 10 46.014 -0.823 17.952 1.00 0.00 H new ATOM 404 N ARG A 11 40.727 -0.376 17.024 1.00 0.00 N ATOM 405 CA ARG A 11 39.317 -0.694 16.989 1.00 0.00 C ATOM 406 C ARG A 11 38.469 0.556 16.974 1.00 0.00 C ATOM 407 O ARG A 11 38.691 1.469 17.757 1.00 0.00 O ATOM 408 CB ARG A 11 38.957 -1.527 18.222 1.00 0.00 C ATOM 409 CG ARG A 11 39.431 -0.904 19.528 1.00 0.00 C ATOM 410 CD ARG A 11 39.170 -1.806 20.716 1.00 0.00 C ATOM 411 NE ARG A 11 39.661 -1.207 21.957 1.00 0.00 N ATOM 412 CZ ARG A 11 40.814 -1.528 22.554 1.00 0.00 C ATOM 413 NH1 ARG A 11 41.623 -2.438 22.019 1.00 0.00 N ATOM 414 NH2 ARG A 11 41.154 -0.930 23.680 1.00 0.00 N ATOM 0 H ARG A 11 40.951 0.511 17.474 1.00 0.00 H new ATOM 0 HA ARG A 11 39.118 -1.255 16.076 1.00 0.00 H new ATOM 0 HB2 ARG A 11 37.876 -1.657 18.261 1.00 0.00 H new ATOM 0 HB3 ARG A 11 39.394 -2.520 18.121 1.00 0.00 H new ATOM 0 HG2 ARG A 11 40.498 -0.692 19.462 1.00 0.00 H new ATOM 0 HG3 ARG A 11 38.925 0.050 19.679 1.00 0.00 H new ATOM 0 HD2 ARG A 11 38.100 -1.998 20.801 1.00 0.00 H new ATOM 0 HD3 ARG A 11 39.656 -2.769 20.558 1.00 0.00 H new ATOM 0 HE ARG A 11 39.082 -0.493 22.399 1.00 0.00 H new ATOM 0 HH11 ARG A 11 41.366 -2.898 21.146 1.00 0.00 H new ATOM 0 HH12 ARG A 11 42.500 -2.676 22.482 1.00 0.00 H new ATOM 0 HH21 ARG A 11 40.539 -0.227 24.090 1.00 0.00 H new ATOM 0 HH22 ARG A 11 42.032 -1.170 24.140 1.00 0.00 H new ATOM 428 N ILE A 12 37.508 0.596 16.080 1.00 0.00 N ATOM 429 CA ILE A 12 36.563 1.686 16.044 1.00 0.00 C ATOM 430 C ILE A 12 35.414 1.339 16.968 1.00 0.00 C ATOM 431 O ILE A 12 34.702 0.355 16.746 1.00 0.00 O ATOM 432 CB ILE A 12 36.044 1.950 14.616 1.00 0.00 C ATOM 433 CG1 ILE A 12 37.225 2.250 13.690 1.00 0.00 C ATOM 434 CG2 ILE A 12 35.051 3.108 14.617 1.00 0.00 C ATOM 435 CD1 ILE A 12 36.844 2.441 12.243 1.00 0.00 C ATOM 0 H ILE A 12 37.361 -0.117 15.366 1.00 0.00 H new ATOM 0 HA ILE A 12 37.058 2.600 16.371 1.00 0.00 H new ATOM 0 HB ILE A 12 35.526 1.063 14.252 1.00 0.00 H new ATOM 0 HG12 ILE A 12 37.729 3.150 14.043 1.00 0.00 H new ATOM 0 HG13 ILE A 12 37.944 1.433 13.760 1.00 0.00 H new ATOM 0 HG21 ILE A 12 34.694 3.282 13.602 1.00 0.00 H new ATOM 0 HG22 ILE A 12 34.207 2.863 15.262 1.00 0.00 H new ATOM 0 HG23 ILE A 12 35.542 4.008 14.988 1.00 0.00 H new ATOM 0 HD11 ILE A 12 37.738 2.649 11.656 1.00 0.00 H new ATOM 0 HD12 ILE A 12 36.368 1.535 11.869 1.00 0.00 H new ATOM 0 HD13 ILE A 12 36.150 3.277 12.157 1.00 0.00 H new ATOM 447 N ARG A 13 35.258 2.123 18.007 1.00 0.00 N ATOM 448 CA ARG A 13 34.282 1.842 19.050 1.00 0.00 C ATOM 449 C ARG A 13 32.846 1.872 18.534 1.00 0.00 C ATOM 450 O ARG A 13 32.149 0.857 18.561 1.00 0.00 O ATOM 451 CB ARG A 13 34.438 2.832 20.191 1.00 0.00 C ATOM 452 CG ARG A 13 35.857 2.950 20.722 1.00 0.00 C ATOM 453 CD ARG A 13 35.962 4.099 21.697 1.00 0.00 C ATOM 454 NE ARG A 13 35.354 5.308 21.144 1.00 0.00 N ATOM 455 CZ ARG A 13 34.604 6.158 21.844 1.00 0.00 C ATOM 456 NH1 ARG A 13 34.478 6.013 23.157 1.00 0.00 N ATOM 457 NH2 ARG A 13 33.991 7.159 21.232 1.00 0.00 N ATOM 0 H ARG A 13 35.799 2.974 18.160 1.00 0.00 H new ATOM 0 HA ARG A 13 34.478 0.830 19.405 1.00 0.00 H new ATOM 0 HB2 ARG A 13 34.105 3.814 19.854 1.00 0.00 H new ATOM 0 HB3 ARG A 13 33.780 2.535 21.008 1.00 0.00 H new ATOM 0 HG2 ARG A 13 36.147 2.021 21.213 1.00 0.00 H new ATOM 0 HG3 ARG A 13 36.550 3.103 19.895 1.00 0.00 H new ATOM 0 HD2 ARG A 13 35.469 3.834 22.632 1.00 0.00 H new ATOM 0 HD3 ARG A 13 37.010 4.288 21.931 1.00 0.00 H new ATOM 0 HE ARG A 13 35.514 5.514 20.158 1.00 0.00 H new ATOM 0 HH11 ARG A 13 34.956 5.249 23.634 1.00 0.00 H new ATOM 0 HH12 ARG A 13 33.903 6.666 23.689 1.00 0.00 H new ATOM 0 HH21 ARG A 13 34.093 7.280 20.224 1.00 0.00 H new ATOM 0 HH22 ARG A 13 33.417 7.810 21.768 1.00 0.00 H new ATOM 471 N ASP A 14 32.408 3.029 18.072 1.00 0.00 N ATOM 472 CA ASP A 14 31.028 3.192 17.633 1.00 0.00 C ATOM 473 C ASP A 14 30.841 3.035 16.118 1.00 0.00 C ATOM 474 O ASP A 14 30.788 1.912 15.617 1.00 0.00 O ATOM 475 CB ASP A 14 30.424 4.507 18.155 1.00 0.00 C ATOM 476 CG ASP A 14 31.380 5.676 18.070 1.00 0.00 C ATOM 477 OD1 ASP A 14 31.391 6.365 17.040 1.00 0.00 O ATOM 478 OD2 ASP A 14 32.115 5.918 19.042 1.00 0.00 O ATOM 0 H ASP A 14 32.982 3.868 17.990 1.00 0.00 H new ATOM 0 HA ASP A 14 30.472 2.368 18.079 1.00 0.00 H new ATOM 0 HB2 ASP A 14 29.525 4.739 17.584 1.00 0.00 H new ATOM 0 HB3 ASP A 14 30.117 4.372 19.192 1.00 0.00 H new ATOM 483 N ARG A 15 30.753 4.141 15.383 1.00 0.00 N ATOM 484 CA ARG A 15 30.485 4.046 13.945 1.00 0.00 C ATOM 485 C ARG A 15 31.743 4.208 13.115 1.00 0.00 C ATOM 486 O ARG A 15 32.621 5.006 13.437 1.00 0.00 O ATOM 487 CB ARG A 15 29.397 5.041 13.473 1.00 0.00 C ATOM 488 CG ARG A 15 29.840 6.501 13.380 1.00 0.00 C ATOM 489 CD ARG A 15 29.785 7.199 14.722 1.00 0.00 C ATOM 490 NE ARG A 15 28.413 7.334 15.216 1.00 0.00 N ATOM 491 CZ ARG A 15 28.095 7.615 16.480 1.00 0.00 C ATOM 492 NH1 ARG A 15 29.045 7.698 17.406 1.00 0.00 N ATOM 493 NH2 ARG A 15 26.826 7.783 16.823 1.00 0.00 N ATOM 0 H ARG A 15 30.859 5.089 15.743 1.00 0.00 H new ATOM 0 HA ARG A 15 30.101 3.038 13.786 1.00 0.00 H new ATOM 0 HB2 ARG A 15 29.039 4.724 12.493 1.00 0.00 H new ATOM 0 HB3 ARG A 15 28.550 4.979 14.157 1.00 0.00 H new ATOM 0 HG2 ARG A 15 30.857 6.547 12.989 1.00 0.00 H new ATOM 0 HG3 ARG A 15 29.202 7.029 12.671 1.00 0.00 H new ATOM 0 HD2 ARG A 15 30.377 6.639 15.446 1.00 0.00 H new ATOM 0 HD3 ARG A 15 30.238 8.187 14.635 1.00 0.00 H new ATOM 0 HE ARG A 15 27.651 7.205 14.550 1.00 0.00 H new ATOM 0 HH11 ARG A 15 30.021 7.547 17.151 1.00 0.00 H new ATOM 0 HH12 ARG A 15 28.798 7.913 18.372 1.00 0.00 H new ATOM 0 HH21 ARG A 15 26.092 7.697 16.120 1.00 0.00 H new ATOM 0 HH22 ARG A 15 26.583 7.998 17.790 1.00 0.00 H new ATOM 507 N VAL A 16 31.819 3.447 12.044 1.00 0.00 N ATOM 508 CA VAL A 16 32.953 3.486 11.151 1.00 0.00 C ATOM 509 C VAL A 16 32.580 4.145 9.819 1.00 0.00 C ATOM 510 O VAL A 16 31.722 3.653 9.088 1.00 0.00 O ATOM 511 CB VAL A 16 33.518 2.056 10.907 1.00 0.00 C ATOM 512 CG1 VAL A 16 32.396 1.060 10.648 1.00 0.00 C ATOM 513 CG2 VAL A 16 34.506 2.050 9.752 1.00 0.00 C ATOM 0 H VAL A 16 31.094 2.784 11.769 1.00 0.00 H new ATOM 0 HA VAL A 16 33.729 4.087 11.626 1.00 0.00 H new ATOM 0 HB VAL A 16 34.044 1.751 11.812 1.00 0.00 H new ATOM 0 HG11 VAL A 16 32.820 0.070 10.481 1.00 0.00 H new ATOM 0 HG12 VAL A 16 31.731 1.029 11.511 1.00 0.00 H new ATOM 0 HG13 VAL A 16 31.833 1.367 9.767 1.00 0.00 H new ATOM 0 HG21 VAL A 16 34.885 1.039 9.603 1.00 0.00 H new ATOM 0 HG22 VAL A 16 34.006 2.388 8.844 1.00 0.00 H new ATOM 0 HG23 VAL A 16 35.336 2.719 9.980 1.00 0.00 H new ATOM 523 N ALA A 17 33.196 5.282 9.536 1.00 0.00 N ATOM 524 CA ALA A 17 32.967 5.970 8.278 1.00 0.00 C ATOM 525 C ALA A 17 33.901 5.452 7.190 1.00 0.00 C ATOM 526 O ALA A 17 34.896 4.779 7.485 1.00 0.00 O ATOM 527 CB ALA A 17 33.105 7.471 8.441 1.00 0.00 C ATOM 0 H ALA A 17 33.857 5.746 10.160 1.00 0.00 H new ATOM 0 HA ALA A 17 31.943 5.760 7.969 1.00 0.00 H new ATOM 0 HB1 ALA A 17 32.928 7.959 7.482 1.00 0.00 H new ATOM 0 HB2 ALA A 17 32.376 7.826 9.169 1.00 0.00 H new ATOM 0 HB3 ALA A 17 34.110 7.708 8.789 1.00 0.00 H new ATOM 533 N GLN A 18 33.597 5.797 5.945 1.00 0.00 N ATOM 534 CA GLN A 18 34.389 5.374 4.789 1.00 0.00 C ATOM 535 C GLN A 18 35.827 5.886 4.902 1.00 0.00 C ATOM 536 O GLN A 18 36.776 5.226 4.471 1.00 0.00 O ATOM 537 CB GLN A 18 33.738 5.894 3.502 1.00 0.00 C ATOM 538 CG GLN A 18 34.383 5.399 2.220 1.00 0.00 C ATOM 539 CD GLN A 18 33.704 5.956 0.982 1.00 0.00 C ATOM 540 OE1 GLN A 18 32.508 6.253 0.993 1.00 0.00 O ATOM 541 NE2 GLN A 18 34.452 6.097 -0.090 1.00 0.00 N ATOM 0 H GLN A 18 32.794 6.378 5.704 1.00 0.00 H new ATOM 0 HA GLN A 18 34.419 4.285 4.762 1.00 0.00 H new ATOM 0 HB2 GLN A 18 32.687 5.604 3.500 1.00 0.00 H new ATOM 0 HB3 GLN A 18 33.768 6.984 3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 18 35.436 5.682 2.213 1.00 0.00 H new ATOM 0 HG3 GLN A 18 34.345 4.310 2.194 1.00 0.00 H new ATOM 0 HE21 GLN A 18 35.439 5.840 -0.061 1.00 0.00 H new ATOM 0 HE22 GLN A 18 34.046 6.463 -0.951 1.00 0.00 H new ATOM 550 N ASP A 19 35.979 7.060 5.486 1.00 0.00 N ATOM 551 CA ASP A 19 37.297 7.655 5.678 1.00 0.00 C ATOM 552 C ASP A 19 37.995 7.032 6.881 1.00 0.00 C ATOM 553 O ASP A 19 39.176 6.698 6.824 1.00 0.00 O ATOM 554 CB ASP A 19 37.171 9.164 5.892 1.00 0.00 C ATOM 555 CG ASP A 19 38.513 9.875 5.928 1.00 0.00 C ATOM 556 OD1 ASP A 19 39.207 9.808 6.966 1.00 0.00 O ATOM 557 OD2 ASP A 19 38.880 10.513 4.917 1.00 0.00 O ATOM 0 H ASP A 19 35.206 7.625 5.838 1.00 0.00 H new ATOM 0 HA ASP A 19 37.889 7.464 4.783 1.00 0.00 H new ATOM 0 HB2 ASP A 19 36.563 9.589 5.093 1.00 0.00 H new ATOM 0 HB3 ASP A 19 36.643 9.349 6.827 1.00 0.00 H new ATOM 562 N ILE A 20 37.245 6.858 7.962 1.00 0.00 N ATOM 563 CA ILE A 20 37.793 6.330 9.212 1.00 0.00 C ATOM 564 C ILE A 20 38.285 4.899 9.049 1.00 0.00 C ATOM 565 O ILE A 20 39.323 4.530 9.597 1.00 0.00 O ATOM 566 CB ILE A 20 36.752 6.369 10.353 1.00 0.00 C ATOM 567 CG1 ILE A 20 36.095 7.740 10.427 1.00 0.00 C ATOM 568 CG2 ILE A 20 37.408 6.025 11.681 1.00 0.00 C ATOM 569 CD1 ILE A 20 35.036 7.864 11.508 1.00 0.00 C ATOM 0 H ILE A 20 36.249 7.075 8.001 1.00 0.00 H new ATOM 0 HA ILE A 20 38.634 6.973 9.470 1.00 0.00 H new ATOM 0 HB ILE A 20 35.982 5.627 10.143 1.00 0.00 H new ATOM 0 HG12 ILE A 20 36.866 8.491 10.601 1.00 0.00 H new ATOM 0 HG13 ILE A 20 35.642 7.966 9.462 1.00 0.00 H new ATOM 0 HG21 ILE A 20 36.661 6.057 12.475 1.00 0.00 H new ATOM 0 HG22 ILE A 20 37.837 5.025 11.626 1.00 0.00 H new ATOM 0 HG23 ILE A 20 38.196 6.747 11.895 1.00 0.00 H new ATOM 0 HD11 ILE A 20 34.618 8.870 11.494 1.00 0.00 H new ATOM 0 HD12 ILE A 20 34.243 7.139 11.325 1.00 0.00 H new ATOM 0 HD13 ILE A 20 35.486 7.672 12.482 1.00 0.00 H new ATOM 581 N ILE A 21 37.549 4.096 8.283 1.00 0.00 N ATOM 582 CA ILE A 21 37.912 2.697 8.090 1.00 0.00 C ATOM 583 C ILE A 21 39.284 2.566 7.413 1.00 0.00 C ATOM 584 O ILE A 21 39.960 1.545 7.539 1.00 0.00 O ATOM 585 CB ILE A 21 36.837 1.914 7.281 1.00 0.00 C ATOM 586 CG1 ILE A 21 37.090 0.402 7.378 1.00 0.00 C ATOM 587 CG2 ILE A 21 36.815 2.363 5.824 1.00 0.00 C ATOM 588 CD1 ILE A 21 36.020 -0.442 6.721 1.00 0.00 C ATOM 0 H ILE A 21 36.705 4.388 7.790 1.00 0.00 H new ATOM 0 HA ILE A 21 37.967 2.252 9.083 1.00 0.00 H new ATOM 0 HB ILE A 21 35.860 2.131 7.714 1.00 0.00 H new ATOM 0 HG12 ILE A 21 38.052 0.174 6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 21 37.165 0.123 8.429 1.00 0.00 H new ATOM 0 HG21 ILE A 21 36.055 1.800 5.281 1.00 0.00 H new ATOM 0 HG22 ILE A 21 36.583 3.427 5.775 1.00 0.00 H new ATOM 0 HG23 ILE A 21 37.791 2.183 5.373 1.00 0.00 H new ATOM 0 HD11 ILE A 21 36.270 -1.497 6.832 1.00 0.00 H new ATOM 0 HD12 ILE A 21 35.059 -0.245 7.196 1.00 0.00 H new ATOM 0 HD13 ILE A 21 35.959 -0.193 5.662 1.00 0.00 H new ATOM 600 N GLN A 22 39.692 3.615 6.708 1.00 0.00 N ATOM 601 CA GLN A 22 40.987 3.640 6.053 1.00 0.00 C ATOM 602 C GLN A 22 42.084 3.716 7.105 1.00 0.00 C ATOM 603 O GLN A 22 43.137 3.101 6.979 1.00 0.00 O ATOM 604 CB GLN A 22 41.091 4.864 5.144 1.00 0.00 C ATOM 605 CG GLN A 22 42.334 4.875 4.270 1.00 0.00 C ATOM 606 CD GLN A 22 42.574 6.216 3.608 1.00 0.00 C ATOM 607 OE1 GLN A 22 41.638 6.969 3.343 1.00 0.00 O ATOM 608 NE2 GLN A 22 43.830 6.524 3.337 1.00 0.00 N ATOM 0 H GLN A 22 39.139 4.462 6.577 1.00 0.00 H new ATOM 0 HA GLN A 22 41.099 2.734 5.458 1.00 0.00 H new ATOM 0 HB2 GLN A 22 40.209 4.907 4.505 1.00 0.00 H new ATOM 0 HB3 GLN A 22 41.083 5.764 5.759 1.00 0.00 H new ATOM 0 HG2 GLN A 22 43.201 4.614 4.876 1.00 0.00 H new ATOM 0 HG3 GLN A 22 42.239 4.107 3.502 1.00 0.00 H new ATOM 0 HE21 GLN A 22 44.577 5.871 3.573 1.00 0.00 H new ATOM 0 HE22 GLN A 22 44.052 7.414 2.892 1.00 0.00 H new ATOM 617 N LYS A 23 41.801 4.458 8.155 1.00 0.00 N ATOM 618 CA LYS A 23 42.757 4.702 9.219 1.00 0.00 C ATOM 619 C LYS A 23 42.795 3.536 10.208 1.00 0.00 C ATOM 620 O LYS A 23 43.718 3.425 11.012 1.00 0.00 O ATOM 621 CB LYS A 23 42.383 5.994 9.942 1.00 0.00 C ATOM 622 CG LYS A 23 42.092 7.166 9.003 1.00 0.00 C ATOM 623 CD LYS A 23 43.230 8.160 8.950 1.00 0.00 C ATOM 624 CE LYS A 23 44.353 7.673 8.060 1.00 0.00 C ATOM 625 NZ LYS A 23 44.000 7.737 6.621 1.00 0.00 N ATOM 0 H LYS A 23 40.898 4.911 8.297 1.00 0.00 H new ATOM 0 HA LYS A 23 43.751 4.797 8.782 1.00 0.00 H new ATOM 0 HB2 LYS A 23 41.505 5.811 10.562 1.00 0.00 H new ATOM 0 HB3 LYS A 23 43.196 6.272 10.613 1.00 0.00 H new ATOM 0 HG2 LYS A 23 41.899 6.785 8.000 1.00 0.00 H new ATOM 0 HG3 LYS A 23 41.185 7.674 9.331 1.00 0.00 H new ATOM 0 HD2 LYS A 23 42.861 9.117 8.581 1.00 0.00 H new ATOM 0 HD3 LYS A 23 43.611 8.332 9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 23 45.243 8.275 8.240 1.00 0.00 H new ATOM 0 HE3 LYS A 23 44.604 6.646 8.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 44.833 8.031 6.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 43.686 6.799 6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 43.233 8.426 6.482 1.00 0.00 H new ATOM 639 N LEU A 24 41.791 2.673 10.146 1.00 0.00 N ATOM 640 CA LEU A 24 41.726 1.516 11.028 1.00 0.00 C ATOM 641 C LEU A 24 42.847 0.540 10.677 1.00 0.00 C ATOM 642 O LEU A 24 42.915 0.031 9.554 1.00 0.00 O ATOM 643 CB LEU A 24 40.339 0.839 10.924 1.00 0.00 C ATOM 644 CG LEU A 24 39.967 -0.184 12.026 1.00 0.00 C ATOM 645 CD1 LEU A 24 40.680 -1.514 11.821 1.00 0.00 C ATOM 646 CD2 LEU A 24 40.280 0.377 13.410 1.00 0.00 C ATOM 0 H LEU A 24 41.010 2.752 9.494 1.00 0.00 H new ATOM 0 HA LEU A 24 41.861 1.839 12.060 1.00 0.00 H new ATOM 0 HB2 LEU A 24 39.580 1.622 10.919 1.00 0.00 H new ATOM 0 HB3 LEU A 24 40.281 0.333 9.960 1.00 0.00 H new ATOM 0 HG LEU A 24 38.895 -0.366 11.954 1.00 0.00 H new ATOM 0 HD11 LEU A 24 40.394 -2.206 12.613 1.00 0.00 H new ATOM 0 HD12 LEU A 24 40.399 -1.933 10.855 1.00 0.00 H new ATOM 0 HD13 LEU A 24 41.758 -1.357 11.848 1.00 0.00 H new ATOM 0 HD21 LEU A 24 40.011 -0.357 14.170 1.00 0.00 H new ATOM 0 HD22 LEU A 24 41.345 0.599 13.480 1.00 0.00 H new ATOM 0 HD23 LEU A 24 39.708 1.291 13.570 1.00 0.00 H new ATOM 658 N GLY A 25 43.727 0.297 11.637 1.00 0.00 N ATOM 659 CA GLY A 25 44.863 -0.573 11.412 1.00 0.00 C ATOM 660 C GLY A 25 46.064 0.194 10.899 1.00 0.00 C ATOM 661 O GLY A 25 47.149 -0.362 10.733 1.00 0.00 O ATOM 0 H GLY A 25 43.673 0.691 12.576 1.00 0.00 H new ATOM 0 HA2 GLY A 25 45.124 -1.078 12.342 1.00 0.00 H new ATOM 0 HA3 GLY A 25 44.592 -1.347 10.694 1.00 0.00 H new ATOM 665 N GLN A 26 45.870 1.478 10.664 1.00 0.00 N ATOM 666 CA GLN A 26 46.916 2.334 10.144 1.00 0.00 C ATOM 667 C GLN A 26 47.614 3.070 11.289 1.00 0.00 C ATOM 668 O GLN A 26 46.984 3.399 12.300 1.00 0.00 O ATOM 669 CB GLN A 26 46.313 3.326 9.146 1.00 0.00 C ATOM 670 CG GLN A 26 47.328 4.103 8.334 1.00 0.00 C ATOM 671 CD GLN A 26 46.674 5.042 7.341 1.00 0.00 C ATOM 672 OE1 GLN A 26 45.577 4.783 6.843 1.00 0.00 O ATOM 673 NE2 GLN A 26 47.331 6.136 7.052 1.00 0.00 N ATOM 0 H GLN A 26 44.984 1.955 10.828 1.00 0.00 H new ATOM 0 HA GLN A 26 47.661 1.727 9.630 1.00 0.00 H new ATOM 0 HB2 GLN A 26 45.661 2.782 8.463 1.00 0.00 H new ATOM 0 HB3 GLN A 26 45.686 4.032 9.690 1.00 0.00 H new ATOM 0 HG2 GLN A 26 47.966 4.676 9.007 1.00 0.00 H new ATOM 0 HG3 GLN A 26 47.973 3.405 7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 26 48.237 6.316 7.485 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.937 6.809 6.394 1.00 0.00 H new ATOM 682 N VAL A 27 48.908 3.304 11.138 1.00 0.00 N ATOM 683 CA VAL A 27 49.693 3.978 12.162 1.00 0.00 C ATOM 684 C VAL A 27 49.811 5.477 11.866 1.00 0.00 C ATOM 685 O VAL A 27 50.064 5.880 10.729 1.00 0.00 O ATOM 686 CB VAL A 27 51.116 3.364 12.271 1.00 0.00 C ATOM 687 CG1 VAL A 27 51.942 4.075 13.338 1.00 0.00 C ATOM 688 CG2 VAL A 27 51.037 1.875 12.567 1.00 0.00 C ATOM 0 H VAL A 27 49.440 3.035 10.311 1.00 0.00 H new ATOM 0 HA VAL A 27 49.173 3.840 13.110 1.00 0.00 H new ATOM 0 HB VAL A 27 51.613 3.502 11.311 1.00 0.00 H new ATOM 0 HG11 VAL A 27 52.933 3.624 13.392 1.00 0.00 H new ATOM 0 HG12 VAL A 27 52.037 5.130 13.081 1.00 0.00 H new ATOM 0 HG13 VAL A 27 51.447 3.980 14.305 1.00 0.00 H new ATOM 0 HG21 VAL A 27 52.044 1.464 12.639 1.00 0.00 H new ATOM 0 HG22 VAL A 27 50.513 1.719 13.510 1.00 0.00 H new ATOM 0 HG23 VAL A 27 50.497 1.373 11.764 1.00 0.00 H new ATOM 698 N GLY A 28 49.612 6.290 12.889 1.00 0.00 N ATOM 699 CA GLY A 28 49.735 7.724 12.755 1.00 0.00 C ATOM 700 C GLY A 28 50.509 8.310 13.914 1.00 0.00 C ATOM 701 O GLY A 28 50.969 7.573 14.778 1.00 0.00 O ATOM 0 H GLY A 28 49.363 5.975 13.826 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.238 7.964 11.818 1.00 0.00 H new ATOM 0 HA3 GLY A 28 48.744 8.175 12.709 1.00 0.00 H new ATOM 705 N GLN A 29 50.651 9.618 13.950 1.00 0.00 N ATOM 706 CA GLN A 29 51.397 10.264 15.017 1.00 0.00 C ATOM 707 C GLN A 29 50.566 11.343 15.711 1.00 0.00 C ATOM 708 O GLN A 29 49.864 12.117 15.059 1.00 0.00 O ATOM 709 CB GLN A 29 52.706 10.839 14.468 1.00 0.00 C ATOM 710 CG GLN A 29 53.524 11.615 15.483 1.00 0.00 C ATOM 711 CD GLN A 29 54.950 11.833 15.027 1.00 0.00 C ATOM 712 OE1 GLN A 29 55.533 10.989 14.343 1.00 0.00 O ATOM 713 NE2 GLN A 29 55.513 12.966 15.382 1.00 0.00 N ATOM 0 H GLN A 29 50.262 10.256 13.256 1.00 0.00 H new ATOM 0 HA GLN A 29 51.635 9.513 15.770 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.313 10.021 14.079 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.477 11.494 13.627 1.00 0.00 H new ATOM 0 HG2 GLN A 29 53.052 12.580 15.665 1.00 0.00 H new ATOM 0 HG3 GLN A 29 53.526 11.078 16.431 1.00 0.00 H new ATOM 0 HE21 GLN A 29 54.995 13.637 15.949 1.00 0.00 H new ATOM 0 HE22 GLN A 29 56.468 13.174 15.091 1.00 0.00 H new ATOM 722 N ILE A 30 50.642 11.370 17.039 1.00 0.00 N ATOM 723 CA ILE A 30 49.903 12.336 17.842 1.00 0.00 C ATOM 724 C ILE A 30 50.487 13.729 17.671 1.00 0.00 C ATOM 725 O ILE A 30 51.669 13.952 17.948 1.00 0.00 O ATOM 726 CB ILE A 30 49.947 11.973 19.348 1.00 0.00 C ATOM 727 CG1 ILE A 30 49.423 10.555 19.579 1.00 0.00 C ATOM 728 CG2 ILE A 30 49.142 12.980 20.166 1.00 0.00 C ATOM 729 CD1 ILE A 30 49.525 10.098 21.020 1.00 0.00 C ATOM 0 H ILE A 30 51.215 10.726 17.585 1.00 0.00 H new ATOM 0 HA ILE A 30 48.870 12.314 17.496 1.00 0.00 H new ATOM 0 HB ILE A 30 50.985 12.012 19.677 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.381 10.506 19.264 1.00 0.00 H new ATOM 0 HG13 ILE A 30 49.980 9.863 18.947 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.184 12.709 21.221 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.561 13.977 20.030 1.00 0.00 H new ATOM 0 HG23 ILE A 30 48.105 12.974 19.831 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.135 9.084 21.109 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.569 10.114 21.334 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.945 10.767 21.656 1.00 0.00 H new ATOM 741 N THR A 31 49.669 14.656 17.217 1.00 0.00 N ATOM 742 CA THR A 31 50.106 16.021 17.034 1.00 0.00 C ATOM 743 C THR A 31 49.375 16.970 17.983 1.00 0.00 C ATOM 744 O THR A 31 49.644 18.174 18.012 1.00 0.00 O ATOM 745 CB THR A 31 49.911 16.473 15.587 1.00 0.00 C ATOM 746 OG1 THR A 31 48.584 16.146 15.143 1.00 0.00 O ATOM 747 CG2 THR A 31 50.934 15.810 14.676 1.00 0.00 C ATOM 0 H THR A 31 48.695 14.486 16.968 1.00 0.00 H new ATOM 0 HA THR A 31 51.170 16.054 17.267 1.00 0.00 H new ATOM 0 HB THR A 31 50.050 17.553 15.543 1.00 0.00 H new ATOM 0 HG1 THR A 31 48.620 15.816 14.221 1.00 0.00 H new ATOM 0 HG21 THR A 31 50.779 16.145 13.650 1.00 0.00 H new ATOM 0 HG22 THR A 31 51.939 16.083 14.998 1.00 0.00 H new ATOM 0 HG23 THR A 31 50.818 14.727 14.726 1.00 0.00 H new ATOM 755 N GLY A 32 48.458 16.424 18.763 1.00 0.00 N ATOM 756 CA GLY A 32 47.725 17.228 19.712 1.00 0.00 C ATOM 757 C GLY A 32 46.546 16.491 20.289 1.00 0.00 C ATOM 758 O GLY A 32 46.298 15.338 19.940 1.00 0.00 O ATOM 0 H GLY A 32 48.208 15.435 18.755 1.00 0.00 H new ATOM 0 HA2 GLY A 32 48.391 17.533 20.519 1.00 0.00 H new ATOM 0 HA3 GLY A 32 47.379 18.139 19.223 1.00 0.00 H new ATOM 762 N PHE A 33 45.828 17.143 21.175 1.00 0.00 N ATOM 763 CA PHE A 33 44.653 16.558 21.786 1.00 0.00 C ATOM 764 C PHE A 33 43.417 17.345 21.398 1.00 0.00 C ATOM 765 O PHE A 33 43.515 18.488 20.950 1.00 0.00 O ATOM 766 CB PHE A 33 44.802 16.506 23.308 1.00 0.00 C ATOM 767 CG PHE A 33 45.886 15.573 23.769 1.00 0.00 C ATOM 768 CD1 PHE A 33 45.607 14.240 24.014 1.00 0.00 C ATOM 769 CD2 PHE A 33 47.183 16.028 23.954 1.00 0.00 C ATOM 770 CE1 PHE A 33 46.598 13.378 24.435 1.00 0.00 C ATOM 771 CE2 PHE A 33 48.179 15.169 24.374 1.00 0.00 C ATOM 772 CZ PHE A 33 47.886 13.842 24.615 1.00 0.00 C ATOM 0 H PHE A 33 46.039 18.089 21.492 1.00 0.00 H new ATOM 0 HA PHE A 33 44.546 15.536 21.422 1.00 0.00 H new ATOM 0 HB2 PHE A 33 45.013 17.509 23.680 1.00 0.00 H new ATOM 0 HB3 PHE A 33 43.854 16.196 23.748 1.00 0.00 H new ATOM 0 HD1 PHE A 33 44.602 13.870 23.874 1.00 0.00 H new ATOM 0 HD2 PHE A 33 47.417 17.066 23.767 1.00 0.00 H new ATOM 0 HE1 PHE A 33 46.367 12.340 24.624 1.00 0.00 H new ATOM 0 HE2 PHE A 33 49.186 15.535 24.514 1.00 0.00 H new ATOM 0 HZ PHE A 33 48.663 13.168 24.944 1.00 0.00 H new ATOM 782 N LYS A 34 42.267 16.741 21.557 1.00 0.00 N ATOM 783 CA LYS A 34 41.022 17.375 21.191 1.00 0.00 C ATOM 784 C LYS A 34 39.976 17.100 22.257 1.00 0.00 C ATOM 785 O LYS A 34 40.012 16.065 22.915 1.00 0.00 O ATOM 786 CB LYS A 34 40.544 16.829 19.839 1.00 0.00 C ATOM 787 CG LYS A 34 39.584 17.742 19.092 1.00 0.00 C ATOM 788 CD LYS A 34 39.016 17.047 17.862 1.00 0.00 C ATOM 789 CE LYS A 34 38.109 17.963 17.051 1.00 0.00 C ATOM 790 NZ LYS A 34 38.860 19.075 16.413 1.00 0.00 N ATOM 0 H LYS A 34 42.165 15.802 21.941 1.00 0.00 H new ATOM 0 HA LYS A 34 41.175 18.451 21.109 1.00 0.00 H new ATOM 0 HB2 LYS A 34 41.414 16.644 19.209 1.00 0.00 H new ATOM 0 HB3 LYS A 34 40.058 15.867 20.002 1.00 0.00 H new ATOM 0 HG2 LYS A 34 38.771 18.040 19.754 1.00 0.00 H new ATOM 0 HG3 LYS A 34 40.102 18.653 18.793 1.00 0.00 H new ATOM 0 HD2 LYS A 34 39.835 16.699 17.232 1.00 0.00 H new ATOM 0 HD3 LYS A 34 38.456 16.165 18.172 1.00 0.00 H new ATOM 0 HE2 LYS A 34 37.602 17.381 16.282 1.00 0.00 H new ATOM 0 HE3 LYS A 34 37.336 18.374 17.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 38.231 19.592 15.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 39.210 19.724 17.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 39.665 18.689 15.880 1.00 0.00 H new ATOM 804 N MET A 35 39.068 18.026 22.444 1.00 0.00 N ATOM 805 CA MET A 35 37.996 17.839 23.397 1.00 0.00 C ATOM 806 C MET A 35 36.805 17.209 22.697 1.00 0.00 C ATOM 807 O MET A 35 36.479 17.574 21.565 1.00 0.00 O ATOM 808 CB MET A 35 37.594 19.173 24.055 1.00 0.00 C ATOM 809 CG MET A 35 37.050 20.225 23.090 1.00 0.00 C ATOM 810 SD MET A 35 38.310 20.897 21.979 1.00 0.00 S ATOM 811 CE MET A 35 37.324 22.041 21.012 1.00 0.00 C ATOM 0 H MET A 35 39.048 18.918 21.950 1.00 0.00 H new ATOM 0 HA MET A 35 38.344 17.176 24.189 1.00 0.00 H new ATOM 0 HB2 MET A 35 36.840 18.974 24.816 1.00 0.00 H new ATOM 0 HB3 MET A 35 38.463 19.585 24.568 1.00 0.00 H new ATOM 0 HG2 MET A 35 36.250 19.784 22.496 1.00 0.00 H new ATOM 0 HG3 MET A 35 36.609 21.040 23.663 1.00 0.00 H new ATOM 0 HE1 MET A 35 37.959 22.538 20.278 1.00 0.00 H new ATOM 0 HE2 MET A 35 36.533 21.495 20.498 1.00 0.00 H new ATOM 0 HE3 MET A 35 36.880 22.786 21.672 1.00 0.00 H new ATOM 821 N THR A 36 36.175 16.253 23.346 1.00 0.00 N ATOM 822 CA THR A 36 35.036 15.581 22.759 1.00 0.00 C ATOM 823 C THR A 36 33.882 15.529 23.738 1.00 0.00 C ATOM 824 O THR A 36 34.076 15.603 24.954 1.00 0.00 O ATOM 825 CB THR A 36 35.380 14.138 22.300 1.00 0.00 C ATOM 826 OG1 THR A 36 35.809 13.354 23.416 1.00 0.00 O ATOM 827 CG2 THR A 36 36.470 14.145 21.238 1.00 0.00 C ATOM 0 H THR A 36 36.431 15.925 24.277 1.00 0.00 H new ATOM 0 HA THR A 36 34.750 16.160 21.881 1.00 0.00 H new ATOM 0 HB THR A 36 34.478 13.701 21.871 1.00 0.00 H new ATOM 0 HG1 THR A 36 36.033 13.946 24.165 1.00 0.00 H new ATOM 0 HG21 THR A 36 36.690 13.121 20.936 1.00 0.00 H new ATOM 0 HG22 THR A 36 36.131 14.714 20.372 1.00 0.00 H new ATOM 0 HG23 THR A 36 37.371 14.605 21.644 1.00 0.00 H new ATOM 835 N ASP A 37 32.691 15.418 23.210 1.00 0.00 N ATOM 836 CA ASP A 37 31.491 15.328 24.020 1.00 0.00 C ATOM 837 C ASP A 37 30.953 13.908 23.976 1.00 0.00 C ATOM 838 O ASP A 37 29.946 13.586 24.609 1.00 0.00 O ATOM 839 CB ASP A 37 30.433 16.305 23.505 1.00 0.00 C ATOM 840 CG ASP A 37 30.017 16.010 22.078 1.00 0.00 C ATOM 841 OD1 ASP A 37 30.823 16.250 21.154 1.00 0.00 O ATOM 842 OD2 ASP A 37 28.885 15.537 21.869 1.00 0.00 O ATOM 0 H ASP A 37 32.519 15.387 22.205 1.00 0.00 H new ATOM 0 HA ASP A 37 31.735 15.589 25.050 1.00 0.00 H new ATOM 0 HB2 ASP A 37 29.557 16.261 24.152 1.00 0.00 H new ATOM 0 HB3 ASP A 37 30.822 17.321 23.564 1.00 0.00 H new ATOM 847 N GLY A 38 31.635 13.064 23.219 1.00 0.00 N ATOM 848 CA GLY A 38 31.223 11.692 23.080 1.00 0.00 C ATOM 849 C GLY A 38 31.773 10.792 24.169 1.00 0.00 C ATOM 850 O GLY A 38 31.077 9.894 24.643 1.00 0.00 O ATOM 0 H GLY A 38 32.474 13.312 22.695 1.00 0.00 H new ATOM 0 HA2 GLY A 38 30.134 11.643 23.092 1.00 0.00 H new ATOM 0 HA3 GLY A 38 31.548 11.318 22.109 1.00 0.00 H new ATOM 854 N SER A 39 33.025 11.011 24.564 1.00 0.00 N ATOM 855 CA SER A 39 33.642 10.171 25.589 1.00 0.00 C ATOM 856 C SER A 39 34.700 10.920 26.409 1.00 0.00 C ATOM 857 O SER A 39 35.476 10.302 27.144 1.00 0.00 O ATOM 858 CB SER A 39 34.254 8.928 24.946 1.00 0.00 C ATOM 859 OG SER A 39 33.261 8.172 24.259 1.00 0.00 O ATOM 0 H SER A 39 33.625 11.750 24.197 1.00 0.00 H new ATOM 0 HA SER A 39 32.854 9.877 26.282 1.00 0.00 H new ATOM 0 HB2 SER A 39 35.039 9.223 24.250 1.00 0.00 H new ATOM 0 HB3 SER A 39 34.722 8.310 25.712 1.00 0.00 H new ATOM 0 HG SER A 39 32.758 7.631 24.903 1.00 0.00 H new ATOM 865 N GLY A 40 34.728 12.239 26.298 1.00 0.00 N ATOM 866 CA GLY A 40 35.670 13.006 27.081 1.00 0.00 C ATOM 867 C GLY A 40 36.826 13.551 26.280 1.00 0.00 C ATOM 868 O GLY A 40 36.723 14.614 25.657 1.00 0.00 O ATOM 0 H GLY A 40 34.122 12.786 25.687 1.00 0.00 H new ATOM 0 HA2 GLY A 40 35.145 13.836 27.554 1.00 0.00 H new ATOM 0 HA3 GLY A 40 36.059 12.377 27.882 1.00 0.00 H new ATOM 872 N VAL A 41 37.924 12.828 26.274 1.00 0.00 N ATOM 873 CA VAL A 41 39.120 13.283 25.597 1.00 0.00 C ATOM 874 C VAL A 41 39.303 12.623 24.238 1.00 0.00 C ATOM 875 O VAL A 41 38.951 11.454 24.036 1.00 0.00 O ATOM 876 CB VAL A 41 40.387 13.056 26.457 1.00 0.00 C ATOM 877 CG1 VAL A 41 40.330 13.893 27.725 1.00 0.00 C ATOM 878 CG2 VAL A 41 40.554 11.580 26.796 1.00 0.00 C ATOM 0 H VAL A 41 38.014 11.921 26.731 1.00 0.00 H new ATOM 0 HA VAL A 41 38.985 14.353 25.441 1.00 0.00 H new ATOM 0 HB VAL A 41 41.253 13.371 25.876 1.00 0.00 H new ATOM 0 HG11 VAL A 41 41.229 13.720 28.316 1.00 0.00 H new ATOM 0 HG12 VAL A 41 40.267 14.949 27.462 1.00 0.00 H new ATOM 0 HG13 VAL A 41 39.453 13.611 28.308 1.00 0.00 H new ATOM 0 HG21 VAL A 41 41.451 11.445 27.401 1.00 0.00 H new ATOM 0 HG22 VAL A 41 39.684 11.234 27.355 1.00 0.00 H new ATOM 0 HG23 VAL A 41 40.647 11.004 25.876 1.00 0.00 H new ATOM 888 N GLY A 42 39.838 13.389 23.315 1.00 0.00 N ATOM 889 CA GLY A 42 40.132 12.900 21.999 1.00 0.00 C ATOM 890 C GLY A 42 41.572 13.179 21.645 1.00 0.00 C ATOM 891 O GLY A 42 42.189 14.088 22.209 1.00 0.00 O ATOM 0 H GLY A 42 40.080 14.369 23.462 1.00 0.00 H new ATOM 0 HA2 GLY A 42 39.940 11.828 21.951 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.473 13.375 21.272 1.00 0.00 H new ATOM 895 N VAL A 43 42.114 12.414 20.735 1.00 0.00 N ATOM 896 CA VAL A 43 43.499 12.565 20.348 1.00 0.00 C ATOM 897 C VAL A 43 43.605 12.888 18.861 1.00 0.00 C ATOM 898 O VAL A 43 43.031 12.189 18.026 1.00 0.00 O ATOM 899 CB VAL A 43 44.297 11.273 20.652 1.00 0.00 C ATOM 900 CG1 VAL A 43 45.781 11.484 20.428 1.00 0.00 C ATOM 901 CG2 VAL A 43 44.031 10.797 22.076 1.00 0.00 C ATOM 0 H VAL A 43 41.616 11.673 20.242 1.00 0.00 H new ATOM 0 HA VAL A 43 43.921 13.387 20.926 1.00 0.00 H new ATOM 0 HB VAL A 43 43.959 10.500 19.962 1.00 0.00 H new ATOM 0 HG11 VAL A 43 46.317 10.561 20.649 1.00 0.00 H new ATOM 0 HG12 VAL A 43 45.956 11.766 19.390 1.00 0.00 H new ATOM 0 HG13 VAL A 43 46.139 12.277 21.084 1.00 0.00 H new ATOM 0 HG21 VAL A 43 44.601 9.888 22.268 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.333 11.571 22.781 1.00 0.00 H new ATOM 0 HG23 VAL A 43 42.968 10.591 22.198 1.00 0.00 H new ATOM 911 N ILE A 44 44.328 13.950 18.536 1.00 0.00 N ATOM 912 CA ILE A 44 44.519 14.349 17.153 1.00 0.00 C ATOM 913 C ILE A 44 45.713 13.614 16.567 1.00 0.00 C ATOM 914 O ILE A 44 46.864 13.832 16.979 1.00 0.00 O ATOM 915 CB ILE A 44 44.726 15.876 17.015 1.00 0.00 C ATOM 916 CG1 ILE A 44 43.498 16.622 17.537 1.00 0.00 C ATOM 917 CG2 ILE A 44 45.005 16.253 15.561 1.00 0.00 C ATOM 918 CD1 ILE A 44 43.629 18.128 17.480 1.00 0.00 C ATOM 0 H ILE A 44 44.793 14.552 19.216 1.00 0.00 H new ATOM 0 HA ILE A 44 43.614 14.087 16.605 1.00 0.00 H new ATOM 0 HB ILE A 44 45.591 16.165 17.612 1.00 0.00 H new ATOM 0 HG12 ILE A 44 42.627 16.320 16.956 1.00 0.00 H new ATOM 0 HG13 ILE A 44 43.313 16.321 18.568 1.00 0.00 H new ATOM 0 HG21 ILE A 44 45.148 17.331 15.486 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.906 15.743 15.219 1.00 0.00 H new ATOM 0 HG23 ILE A 44 44.161 15.954 14.939 1.00 0.00 H new ATOM 0 HD11 ILE A 44 42.719 18.587 17.867 1.00 0.00 H new ATOM 0 HD12 ILE A 44 44.480 18.442 18.085 1.00 0.00 H new ATOM 0 HD13 ILE A 44 43.783 18.441 16.447 1.00 0.00 H new ATOM 930 N VAL A 45 45.439 12.743 15.626 1.00 0.00 N ATOM 931 CA VAL A 45 46.459 11.921 15.027 1.00 0.00 C ATOM 932 C VAL A 45 46.668 12.282 13.563 1.00 0.00 C ATOM 933 O VAL A 45 45.724 12.271 12.765 1.00 0.00 O ATOM 934 CB VAL A 45 46.086 10.426 15.123 1.00 0.00 C ATOM 935 CG1 VAL A 45 47.241 9.552 14.669 1.00 0.00 C ATOM 936 CG2 VAL A 45 45.652 10.064 16.537 1.00 0.00 C ATOM 0 H VAL A 45 44.502 12.585 15.255 1.00 0.00 H new ATOM 0 HA VAL A 45 47.382 12.104 15.577 1.00 0.00 H new ATOM 0 HB VAL A 45 45.243 10.244 14.456 1.00 0.00 H new ATOM 0 HG11 VAL A 45 46.955 8.503 14.745 1.00 0.00 H new ATOM 0 HG12 VAL A 45 47.489 9.786 13.634 1.00 0.00 H new ATOM 0 HG13 VAL A 45 48.109 9.739 15.301 1.00 0.00 H new ATOM 0 HG21 VAL A 45 45.394 9.006 16.579 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.468 10.267 17.231 1.00 0.00 H new ATOM 0 HG23 VAL A 45 44.783 10.660 16.815 1.00 0.00 H new ATOM 946 N THR A 46 47.893 12.607 13.218 1.00 0.00 N ATOM 947 CA THR A 46 48.242 12.902 11.852 1.00 0.00 C ATOM 948 C THR A 46 48.883 11.672 11.224 1.00 0.00 C ATOM 949 O THR A 46 49.858 11.131 11.747 1.00 0.00 O ATOM 950 CB THR A 46 49.203 14.102 11.765 1.00 0.00 C ATOM 951 OG1 THR A 46 48.630 15.222 12.457 1.00 0.00 O ATOM 952 CG2 THR A 46 49.459 14.486 10.313 1.00 0.00 C ATOM 0 H THR A 46 48.671 12.673 13.875 1.00 0.00 H new ATOM 0 HA THR A 46 47.334 13.166 11.310 1.00 0.00 H new ATOM 0 HB THR A 46 50.151 13.822 12.225 1.00 0.00 H new ATOM 0 HG1 THR A 46 49.056 16.049 12.150 1.00 0.00 H new ATOM 0 HG21 THR A 46 50.140 15.336 10.276 1.00 0.00 H new ATOM 0 HG22 THR A 46 49.903 13.641 9.786 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.517 14.756 9.836 1.00 0.00 H new ATOM 960 N PHE A 47 48.321 11.219 10.127 1.00 0.00 N ATOM 961 CA PHE A 47 48.803 10.017 9.476 1.00 0.00 C ATOM 962 C PHE A 47 49.683 10.339 8.281 1.00 0.00 C ATOM 963 O PHE A 47 49.821 11.500 7.888 1.00 0.00 O ATOM 964 CB PHE A 47 47.627 9.139 9.042 1.00 0.00 C ATOM 965 CG PHE A 47 46.842 8.552 10.186 1.00 0.00 C ATOM 966 CD1 PHE A 47 45.938 9.325 10.898 1.00 0.00 C ATOM 967 CD2 PHE A 47 47.003 7.224 10.540 1.00 0.00 C ATOM 968 CE1 PHE A 47 45.212 8.781 11.938 1.00 0.00 C ATOM 969 CE2 PHE A 47 46.280 6.676 11.582 1.00 0.00 C ATOM 970 CZ PHE A 47 45.384 7.455 12.281 1.00 0.00 C ATOM 0 H PHE A 47 47.528 11.664 9.664 1.00 0.00 H new ATOM 0 HA PHE A 47 49.410 9.473 10.199 1.00 0.00 H new ATOM 0 HB2 PHE A 47 46.955 9.731 8.421 1.00 0.00 H new ATOM 0 HB3 PHE A 47 48.004 8.327 8.420 1.00 0.00 H new ATOM 0 HD1 PHE A 47 45.800 10.364 10.636 1.00 0.00 H new ATOM 0 HD2 PHE A 47 47.703 6.608 9.995 1.00 0.00 H new ATOM 0 HE1 PHE A 47 44.509 9.393 12.484 1.00 0.00 H new ATOM 0 HE2 PHE A 47 46.417 5.638 11.848 1.00 0.00 H new ATOM 0 HZ PHE A 47 44.817 7.029 13.096 1.00 0.00 H new ATOM 980 N ASP A 48 50.251 9.294 7.696 1.00 0.00 N ATOM 981 CA ASP A 48 51.132 9.403 6.529 1.00 0.00 C ATOM 982 C ASP A 48 50.399 9.954 5.311 1.00 0.00 C ATOM 983 O ASP A 48 51.022 10.390 4.349 1.00 0.00 O ATOM 984 CB ASP A 48 51.728 8.045 6.201 1.00 0.00 C ATOM 985 CG ASP A 48 50.670 6.976 6.040 1.00 0.00 C ATOM 986 OD1 ASP A 48 50.285 6.360 7.066 1.00 0.00 O ATOM 987 OD2 ASP A 48 50.209 6.749 4.908 1.00 0.00 O ATOM 0 H ASP A 48 50.116 8.335 8.017 1.00 0.00 H new ATOM 0 HA ASP A 48 51.928 10.104 6.782 1.00 0.00 H new ATOM 0 HB2 ASP A 48 52.309 8.119 5.282 1.00 0.00 H new ATOM 0 HB3 ASP A 48 52.418 7.753 6.992 1.00 0.00 H new ATOM 992 N ASP A 49 49.073 9.945 5.366 1.00 0.00 N ATOM 993 CA ASP A 49 48.254 10.476 4.274 1.00 0.00 C ATOM 994 C ASP A 49 48.264 11.998 4.294 1.00 0.00 C ATOM 995 O ASP A 49 47.600 12.636 3.481 1.00 0.00 O ATOM 996 CB ASP A 49 46.804 9.987 4.386 1.00 0.00 C ATOM 997 CG ASP A 49 46.674 8.485 4.351 1.00 0.00 C ATOM 998 OD1 ASP A 49 46.901 7.886 3.282 1.00 0.00 O ATOM 999 OD2 ASP A 49 46.327 7.894 5.393 1.00 0.00 O ATOM 0 H ASP A 49 48.538 9.577 6.153 1.00 0.00 H new ATOM 0 HA ASP A 49 48.681 10.117 3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 49 46.373 10.360 5.315 1.00 0.00 H new ATOM 0 HB3 ASP A 49 46.220 10.414 3.570 1.00 0.00 H new ATOM 1004 N ARG A 50 49.015 12.567 5.250 1.00 0.00 N ATOM 1005 CA ARG A 50 49.111 14.018 5.439 1.00 0.00 C ATOM 1006 C ARG A 50 47.790 14.580 5.943 1.00 0.00 C ATOM 1007 O ARG A 50 47.557 15.793 5.914 1.00 0.00 O ATOM 1008 CB ARG A 50 49.554 14.731 4.153 1.00 0.00 C ATOM 1009 CG ARG A 50 50.959 14.364 3.704 1.00 0.00 C ATOM 1010 CD ARG A 50 51.365 15.152 2.474 1.00 0.00 C ATOM 1011 NE ARG A 50 52.748 14.882 2.082 1.00 0.00 N ATOM 1012 CZ ARG A 50 53.551 15.772 1.496 1.00 0.00 C ATOM 1013 NH1 ARG A 50 53.095 16.984 1.189 1.00 0.00 N ATOM 1014 NH2 ARG A 50 54.801 15.444 1.201 1.00 0.00 N ATOM 0 H ARG A 50 49.573 12.030 5.914 1.00 0.00 H new ATOM 0 HA ARG A 50 49.877 14.203 6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 50 48.852 14.490 3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 50 49.502 15.809 4.309 1.00 0.00 H new ATOM 0 HG2 ARG A 50 51.664 14.558 4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 50 51.007 13.297 3.488 1.00 0.00 H new ATOM 0 HD2 ARG A 50 50.699 14.903 1.648 1.00 0.00 H new ATOM 0 HD3 ARG A 50 51.245 16.217 2.670 1.00 0.00 H new ATOM 0 HE ARG A 50 53.123 13.952 2.269 1.00 0.00 H new ATOM 0 HH11 ARG A 50 52.129 17.235 1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 50 53.711 17.662 0.741 1.00 0.00 H new ATOM 0 HH21 ARG A 50 55.149 14.511 1.422 1.00 0.00 H new ATOM 0 HH22 ARG A 50 55.415 16.125 0.753 1.00 0.00 H new ATOM 1028 N SER A 51 46.943 13.687 6.420 1.00 0.00 N ATOM 1029 CA SER A 51 45.655 14.050 6.951 1.00 0.00 C ATOM 1030 C SER A 51 45.647 13.858 8.462 1.00 0.00 C ATOM 1031 O SER A 51 46.227 12.888 8.978 1.00 0.00 O ATOM 1032 CB SER A 51 44.569 13.182 6.315 1.00 0.00 C ATOM 1033 OG SER A 51 44.701 13.153 4.901 1.00 0.00 O ATOM 0 H SER A 51 47.136 12.686 6.447 1.00 0.00 H new ATOM 0 HA SER A 51 45.457 15.097 6.722 1.00 0.00 H new ATOM 0 HB2 SER A 51 44.632 12.168 6.710 1.00 0.00 H new ATOM 0 HB3 SER A 51 43.586 13.569 6.584 1.00 0.00 H new ATOM 0 HG SER A 51 43.996 12.590 4.518 1.00 0.00 H new ATOM 1039 N SER A 52 45.011 14.767 9.162 1.00 0.00 N ATOM 1040 CA SER A 52 44.926 14.692 10.600 1.00 0.00 C ATOM 1041 C SER A 52 43.484 14.462 11.032 1.00 0.00 C ATOM 1042 O SER A 52 42.582 15.203 10.638 1.00 0.00 O ATOM 1043 CB SER A 52 45.485 15.971 11.230 1.00 0.00 C ATOM 1044 OG SER A 52 44.863 17.124 10.679 1.00 0.00 O ATOM 0 H SER A 52 44.541 15.575 8.753 1.00 0.00 H new ATOM 0 HA SER A 52 45.525 13.849 10.946 1.00 0.00 H new ATOM 0 HB2 SER A 52 45.327 15.949 12.308 1.00 0.00 H new ATOM 0 HB3 SER A 52 46.561 16.021 11.066 1.00 0.00 H new ATOM 0 HG SER A 52 43.957 16.897 10.383 1.00 0.00 H new ATOM 1050 N THR A 53 43.271 13.435 11.817 1.00 0.00 N ATOM 1051 CA THR A 53 41.951 13.114 12.299 1.00 0.00 C ATOM 1052 C THR A 53 42.009 12.791 13.783 1.00 0.00 C ATOM 1053 O THR A 53 43.074 12.490 14.317 1.00 0.00 O ATOM 1054 CB THR A 53 41.315 11.934 11.507 1.00 0.00 C ATOM 1055 OG1 THR A 53 40.008 11.632 12.020 1.00 0.00 O ATOM 1056 CG2 THR A 53 42.185 10.693 11.578 1.00 0.00 C ATOM 0 H THR A 53 44.003 12.802 12.138 1.00 0.00 H new ATOM 0 HA THR A 53 41.315 13.986 12.144 1.00 0.00 H new ATOM 0 HB THR A 53 41.233 12.243 10.465 1.00 0.00 H new ATOM 0 HG1 THR A 53 39.620 10.890 11.511 1.00 0.00 H new ATOM 0 HG21 THR A 53 41.715 9.886 11.016 1.00 0.00 H new ATOM 0 HG22 THR A 53 43.164 10.910 11.151 1.00 0.00 H new ATOM 0 HG23 THR A 53 42.302 10.390 12.618 1.00 0.00 H new ATOM 1064 N TRP A 54 40.881 12.858 14.440 1.00 0.00 N ATOM 1065 CA TRP A 54 40.826 12.633 15.862 1.00 0.00 C ATOM 1066 C TRP A 54 40.226 11.276 16.196 1.00 0.00 C ATOM 1067 O TRP A 54 39.249 10.843 15.583 1.00 0.00 O ATOM 1068 CB TRP A 54 40.048 13.762 16.555 1.00 0.00 C ATOM 1069 CG TRP A 54 38.689 14.025 15.966 1.00 0.00 C ATOM 1070 CD1 TRP A 54 38.413 14.684 14.801 1.00 0.00 C ATOM 1071 CD2 TRP A 54 37.423 13.651 16.522 1.00 0.00 C ATOM 1072 NE1 TRP A 54 37.060 14.730 14.595 1.00 0.00 N ATOM 1073 CE2 TRP A 54 36.428 14.106 15.636 1.00 0.00 C ATOM 1074 CE3 TRP A 54 37.036 12.972 17.679 1.00 0.00 C ATOM 1075 CZ2 TRP A 54 35.072 13.904 15.872 1.00 0.00 C ATOM 1076 CZ3 TRP A 54 35.688 12.773 17.911 1.00 0.00 C ATOM 1077 CH2 TRP A 54 34.722 13.238 17.012 1.00 0.00 C ATOM 0 H TRP A 54 39.981 13.068 14.009 1.00 0.00 H new ATOM 0 HA TRP A 54 41.849 12.634 16.237 1.00 0.00 H new ATOM 0 HB2 TRP A 54 39.933 13.514 17.610 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.637 14.678 16.505 1.00 0.00 H new ATOM 0 HD1 TRP A 54 39.154 15.107 14.139 1.00 0.00 H new ATOM 0 HE1 TRP A 54 36.598 15.160 13.794 1.00 0.00 H new ATOM 0 HE3 TRP A 54 37.775 12.610 18.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 34.324 14.261 15.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 35.375 12.249 18.802 1.00 0.00 H new ATOM 0 HH2 TRP A 54 33.677 13.067 17.224 1.00 0.00 H new ATOM 1088 N PHE A 55 40.841 10.609 17.148 1.00 0.00 N ATOM 1089 CA PHE A 55 40.378 9.325 17.638 1.00 0.00 C ATOM 1090 C PHE A 55 40.301 9.365 19.143 1.00 0.00 C ATOM 1091 O PHE A 55 40.807 10.297 19.767 1.00 0.00 O ATOM 1092 CB PHE A 55 41.299 8.193 17.187 1.00 0.00 C ATOM 1093 CG PHE A 55 41.151 7.842 15.740 1.00 0.00 C ATOM 1094 CD1 PHE A 55 40.084 7.071 15.315 1.00 0.00 C ATOM 1095 CD2 PHE A 55 42.069 8.284 14.806 1.00 0.00 C ATOM 1096 CE1 PHE A 55 39.936 6.745 13.985 1.00 0.00 C ATOM 1097 CE2 PHE A 55 41.924 7.961 13.473 1.00 0.00 C ATOM 1098 CZ PHE A 55 40.857 7.191 13.062 1.00 0.00 C ATOM 0 H PHE A 55 41.686 10.945 17.610 1.00 0.00 H new ATOM 0 HA PHE A 55 39.389 9.131 17.223 1.00 0.00 H new ATOM 0 HB2 PHE A 55 42.333 8.479 17.379 1.00 0.00 H new ATOM 0 HB3 PHE A 55 41.095 7.308 17.790 1.00 0.00 H new ATOM 0 HD1 PHE A 55 39.359 6.721 16.034 1.00 0.00 H new ATOM 0 HD2 PHE A 55 42.907 8.887 15.123 1.00 0.00 H new ATOM 0 HE1 PHE A 55 39.100 6.141 13.666 1.00 0.00 H new ATOM 0 HE2 PHE A 55 42.647 8.311 12.751 1.00 0.00 H new ATOM 0 HZ PHE A 55 40.743 6.938 12.018 1.00 0.00 H new ATOM 1108 N PHE A 56 39.678 8.378 19.733 1.00 0.00 N ATOM 1109 CA PHE A 56 39.519 8.365 21.168 1.00 0.00 C ATOM 1110 C PHE A 56 40.652 7.644 21.888 1.00 0.00 C ATOM 1111 O PHE A 56 41.381 6.847 21.300 1.00 0.00 O ATOM 1112 CB PHE A 56 38.159 7.807 21.562 1.00 0.00 C ATOM 1113 CG PHE A 56 37.037 8.759 21.264 1.00 0.00 C ATOM 1114 CD1 PHE A 56 36.514 8.861 19.987 1.00 0.00 C ATOM 1115 CD2 PHE A 56 36.514 9.562 22.262 1.00 0.00 C ATOM 1116 CE1 PHE A 56 35.489 9.743 19.712 1.00 0.00 C ATOM 1117 CE2 PHE A 56 35.486 10.445 21.993 1.00 0.00 C ATOM 1118 CZ PHE A 56 34.974 10.536 20.717 1.00 0.00 C ATOM 0 H PHE A 56 39.274 7.577 19.248 1.00 0.00 H new ATOM 0 HA PHE A 56 39.569 9.403 21.496 1.00 0.00 H new ATOM 0 HB2 PHE A 56 37.987 6.871 21.031 1.00 0.00 H new ATOM 0 HB3 PHE A 56 38.160 7.574 22.627 1.00 0.00 H new ATOM 0 HD1 PHE A 56 36.913 8.243 19.196 1.00 0.00 H new ATOM 0 HD2 PHE A 56 36.914 9.498 23.263 1.00 0.00 H new ATOM 0 HE1 PHE A 56 35.090 9.813 18.711 1.00 0.00 H new ATOM 0 HE2 PHE A 56 35.084 11.063 22.782 1.00 0.00 H new ATOM 0 HZ PHE A 56 34.171 11.226 20.504 1.00 0.00 H new ATOM 1128 N GLU A 57 40.769 7.950 23.175 1.00 0.00 N ATOM 1129 CA GLU A 57 41.806 7.418 24.068 1.00 0.00 C ATOM 1130 C GLU A 57 42.001 5.891 23.955 1.00 0.00 C ATOM 1131 O GLU A 57 43.111 5.417 23.725 1.00 0.00 O ATOM 1132 CB GLU A 57 41.453 7.794 25.516 1.00 0.00 C ATOM 1133 CG GLU A 57 39.941 7.785 25.799 1.00 0.00 C ATOM 1134 CD GLU A 57 39.604 7.698 27.271 1.00 0.00 C ATOM 1135 OE1 GLU A 57 39.669 6.588 27.829 1.00 0.00 O ATOM 1136 OE2 GLU A 57 39.251 8.728 27.874 1.00 0.00 O ATOM 0 H GLU A 57 40.130 8.592 23.644 1.00 0.00 H new ATOM 0 HA GLU A 57 42.752 7.865 23.763 1.00 0.00 H new ATOM 0 HB2 GLU A 57 41.946 7.098 26.195 1.00 0.00 H new ATOM 0 HB3 GLU A 57 41.850 8.786 25.733 1.00 0.00 H new ATOM 0 HG2 GLU A 57 39.496 8.690 25.385 1.00 0.00 H new ATOM 0 HG3 GLU A 57 39.487 6.941 25.280 1.00 0.00 H new ATOM 1143 N ASP A 58 40.921 5.140 24.100 1.00 0.00 N ATOM 1144 CA ASP A 58 40.989 3.669 24.103 1.00 0.00 C ATOM 1145 C ASP A 58 40.941 3.100 22.682 1.00 0.00 C ATOM 1146 O ASP A 58 41.243 1.931 22.452 1.00 0.00 O ATOM 1147 CB ASP A 58 39.824 3.111 24.927 1.00 0.00 C ATOM 1148 CG ASP A 58 39.926 1.621 25.168 1.00 0.00 C ATOM 1149 OD1 ASP A 58 40.623 1.223 26.120 1.00 0.00 O ATOM 1150 OD2 ASP A 58 39.303 0.843 24.415 1.00 0.00 O ATOM 0 H ASP A 58 39.980 5.516 24.218 1.00 0.00 H new ATOM 0 HA ASP A 58 41.939 3.371 24.547 1.00 0.00 H new ATOM 0 HB2 ASP A 58 39.786 3.626 25.887 1.00 0.00 H new ATOM 0 HB3 ASP A 58 38.887 3.326 24.413 1.00 0.00 H new ATOM 1155 N GLU A 59 40.612 3.953 21.744 1.00 0.00 N ATOM 1156 CA GLU A 59 40.408 3.567 20.352 1.00 0.00 C ATOM 1157 C GLU A 59 41.752 3.341 19.622 1.00 0.00 C ATOM 1158 O GLU A 59 41.804 2.687 18.570 1.00 0.00 O ATOM 1159 CB GLU A 59 39.569 4.670 19.689 1.00 0.00 C ATOM 1160 CG GLU A 59 39.077 4.397 18.293 1.00 0.00 C ATOM 1161 CD GLU A 59 37.797 5.161 18.002 1.00 0.00 C ATOM 1162 OE1 GLU A 59 37.872 6.391 17.790 1.00 0.00 O ATOM 1163 OE2 GLU A 59 36.707 4.537 18.019 1.00 0.00 O ATOM 0 H GLU A 59 40.474 4.949 21.918 1.00 0.00 H new ATOM 0 HA GLU A 59 39.881 2.615 20.295 1.00 0.00 H new ATOM 0 HB2 GLU A 59 38.704 4.867 20.322 1.00 0.00 H new ATOM 0 HB3 GLU A 59 40.163 5.584 19.668 1.00 0.00 H new ATOM 0 HG2 GLU A 59 39.844 4.680 17.572 1.00 0.00 H new ATOM 0 HG3 GLU A 59 38.902 3.328 18.169 1.00 0.00 H new ATOM 1170 N VAL A 60 42.840 3.851 20.199 1.00 0.00 N ATOM 1171 CA VAL A 60 44.163 3.715 19.591 1.00 0.00 C ATOM 1172 C VAL A 60 45.187 3.118 20.568 1.00 0.00 C ATOM 1173 O VAL A 60 44.981 3.130 21.786 1.00 0.00 O ATOM 1174 CB VAL A 60 44.699 5.076 19.075 1.00 0.00 C ATOM 1175 CG1 VAL A 60 43.836 5.608 17.943 1.00 0.00 C ATOM 1176 CG2 VAL A 60 44.776 6.092 20.208 1.00 0.00 C ATOM 0 H VAL A 60 42.832 4.360 21.083 1.00 0.00 H new ATOM 0 HA VAL A 60 44.037 3.034 18.749 1.00 0.00 H new ATOM 0 HB VAL A 60 45.705 4.913 18.689 1.00 0.00 H new ATOM 0 HG11 VAL A 60 44.234 6.563 17.600 1.00 0.00 H new ATOM 0 HG12 VAL A 60 43.839 4.896 17.118 1.00 0.00 H new ATOM 0 HG13 VAL A 60 42.815 5.747 18.298 1.00 0.00 H new ATOM 0 HG21 VAL A 60 45.155 7.039 19.823 1.00 0.00 H new ATOM 0 HG22 VAL A 60 43.782 6.243 20.629 1.00 0.00 H new ATOM 0 HG23 VAL A 60 45.447 5.722 20.984 1.00 0.00 H new ATOM 1186 N GLU A 61 46.273 2.581 20.016 1.00 0.00 N ATOM 1187 CA GLU A 61 47.380 2.039 20.807 1.00 0.00 C ATOM 1188 C GLU A 61 48.614 2.909 20.599 1.00 0.00 C ATOM 1189 O GLU A 61 48.816 3.442 19.508 1.00 0.00 O ATOM 1190 CB GLU A 61 47.694 0.590 20.385 1.00 0.00 C ATOM 1191 CG GLU A 61 48.249 0.467 18.966 1.00 0.00 C ATOM 1192 CD GLU A 61 48.454 -0.967 18.526 1.00 0.00 C ATOM 1193 OE1 GLU A 61 49.431 -1.600 18.968 1.00 0.00 O ATOM 1194 OE2 GLU A 61 47.648 -1.463 17.711 1.00 0.00 O ATOM 0 H GLU A 61 46.412 2.508 19.008 1.00 0.00 H new ATOM 0 HA GLU A 61 47.095 2.038 21.859 1.00 0.00 H new ATOM 0 HB2 GLU A 61 48.414 0.166 21.085 1.00 0.00 H new ATOM 0 HB3 GLU A 61 46.785 -0.006 20.462 1.00 0.00 H new ATOM 0 HG2 GLU A 61 47.567 0.959 18.272 1.00 0.00 H new ATOM 0 HG3 GLU A 61 49.200 0.997 18.908 1.00 0.00 H new ATOM 1201 N VAL A 62 49.435 3.053 21.624 1.00 0.00 N ATOM 1202 CA VAL A 62 50.626 3.886 21.519 1.00 0.00 C ATOM 1203 C VAL A 62 51.843 3.050 21.132 1.00 0.00 C ATOM 1204 O VAL A 62 52.185 2.073 21.809 1.00 0.00 O ATOM 1205 CB VAL A 62 50.918 4.642 22.834 1.00 0.00 C ATOM 1206 CG1 VAL A 62 52.065 5.629 22.649 1.00 0.00 C ATOM 1207 CG2 VAL A 62 49.674 5.359 23.327 1.00 0.00 C ATOM 0 H VAL A 62 49.303 2.609 22.533 1.00 0.00 H new ATOM 0 HA VAL A 62 50.429 4.620 20.738 1.00 0.00 H new ATOM 0 HB VAL A 62 51.215 3.911 23.586 1.00 0.00 H new ATOM 0 HG11 VAL A 62 52.252 6.149 23.588 1.00 0.00 H new ATOM 0 HG12 VAL A 62 52.963 5.090 22.347 1.00 0.00 H new ATOM 0 HG13 VAL A 62 51.801 6.354 21.879 1.00 0.00 H new ATOM 0 HG21 VAL A 62 49.901 5.885 24.254 1.00 0.00 H new ATOM 0 HG22 VAL A 62 49.345 6.075 22.574 1.00 0.00 H new ATOM 0 HG23 VAL A 62 48.882 4.632 23.507 1.00 0.00 H new ATOM 1217 N VAL A 63 52.489 3.444 20.051 1.00 0.00 N ATOM 1218 CA VAL A 63 53.656 2.753 19.536 1.00 0.00 C ATOM 1219 C VAL A 63 54.783 3.748 19.270 1.00 0.00 C ATOM 1220 O VAL A 63 54.553 4.960 19.219 1.00 0.00 O ATOM 1221 CB VAL A 63 53.341 1.969 18.229 1.00 0.00 C ATOM 1222 CG1 VAL A 63 52.369 0.829 18.498 1.00 0.00 C ATOM 1223 CG2 VAL A 63 52.789 2.897 17.154 1.00 0.00 C ATOM 0 H VAL A 63 52.217 4.259 19.501 1.00 0.00 H new ATOM 0 HA VAL A 63 53.965 2.034 20.295 1.00 0.00 H new ATOM 0 HB VAL A 63 54.276 1.543 17.865 1.00 0.00 H new ATOM 0 HG11 VAL A 63 52.166 0.297 17.568 1.00 0.00 H new ATOM 0 HG12 VAL A 63 52.806 0.141 19.221 1.00 0.00 H new ATOM 0 HG13 VAL A 63 51.438 1.231 18.897 1.00 0.00 H new ATOM 0 HG21 VAL A 63 52.578 2.323 16.252 1.00 0.00 H new ATOM 0 HG22 VAL A 63 51.871 3.362 17.512 1.00 0.00 H new ATOM 0 HG23 VAL A 63 53.524 3.670 16.929 1.00 0.00 H new ATOM 1233 N GLY A 64 55.987 3.244 19.117 1.00 0.00 N ATOM 1234 CA GLY A 64 57.115 4.112 18.884 1.00 0.00 C ATOM 1235 C GLY A 64 57.676 4.640 20.178 1.00 0.00 C ATOM 1236 O GLY A 64 57.535 3.949 21.206 1.00 0.00 O ATOM 1237 OXT GLY A 64 58.260 5.737 20.184 1.00 0.00 O ATOM 0 H GLY A 64 56.207 2.249 19.149 1.00 0.00 H new ATOM 0 HA2 GLY A 64 57.890 3.568 18.344 1.00 0.00 H new ATOM 0 HA3 GLY A 64 56.811 4.945 18.250 1.00 0.00 H new