USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=12 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= 1.11 USER MOD Set 1.2: A 46 THR OG1 : rot -150:sc= 0.918 USER MOD Set 2.1: A 23 LYS NZ :NH3+ -174:sc= 1.04 (180deg=0.822) USER MOD Set 2.2: A 26 GLN : amide:sc= -0.461 K(o=0.58,f=-0.92) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.146 (180deg=-0.601) USER MOD Single : A 5 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.55) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ILE N :NH3+ 179:sc= -0.62 (180deg=-0.645) USER MOD Single : A 10 CYS SG : rot -23:sc= 0.00178 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 22 GLN : amide:sc= 0.398 K(o=0.4,f=-0.53) USER MOD Single : A 29 GLN : amide:sc= 1.16 K(o=1.2,f=-0.63) USER MOD Single : A 34 LYS NZ :NH3+ 169:sc=-6.83e-05 (180deg=-0.143) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 164:sc= 0.00969 USER MOD Single : A 39 SER OG : rot -130:sc= 1.23 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 32:sc= 0.0532 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 181 N ILE A -3 46.966 9.338 31.271 1.00 0.00 N ATOM 182 CA ILE A -3 47.185 9.402 29.828 1.00 0.00 C ATOM 183 C ILE A -3 48.419 10.225 29.490 1.00 0.00 C ATOM 184 O ILE A -3 49.055 10.002 28.467 1.00 0.00 O ATOM 185 CB ILE A -3 45.969 10.007 29.092 1.00 0.00 C ATOM 186 CG1 ILE A -3 45.571 11.347 29.719 1.00 0.00 C ATOM 187 CG2 ILE A -3 44.803 9.032 29.101 1.00 0.00 C ATOM 188 CD1 ILE A -3 44.472 12.063 28.973 1.00 0.00 C ATOM 0 H1 ILE A -3 46.108 8.784 31.468 1.00 0.00 H new ATOM 0 H2 ILE A -3 47.783 8.884 31.726 1.00 0.00 H new ATOM 0 H3 ILE A -3 46.851 10.301 31.648 1.00 0.00 H new ATOM 0 HA ILE A -3 47.331 8.375 29.494 1.00 0.00 H new ATOM 0 HB ILE A -3 46.248 10.191 28.055 1.00 0.00 H new ATOM 0 HG12 ILE A -3 45.249 11.176 30.746 1.00 0.00 H new ATOM 0 HG13 ILE A -3 46.448 11.992 29.763 1.00 0.00 H new ATOM 0 HG21 ILE A -3 43.955 9.474 28.578 1.00 0.00 H new ATOM 0 HG22 ILE A -3 45.096 8.109 28.601 1.00 0.00 H new ATOM 0 HG23 ILE A -3 44.520 8.812 30.131 1.00 0.00 H new ATOM 0 HD11 ILE A -3 44.244 13.003 29.475 1.00 0.00 H new ATOM 0 HD12 ILE A -3 44.797 12.266 27.953 1.00 0.00 H new ATOM 0 HD13 ILE A -3 43.580 11.437 28.951 1.00 0.00 H new ATOM 200 N GLU A -2 48.764 11.146 30.378 1.00 0.00 N ATOM 201 CA GLU A -2 49.888 12.048 30.181 1.00 0.00 C ATOM 202 C GLU A -2 51.209 11.281 30.016 1.00 0.00 C ATOM 203 O GLU A -2 52.105 11.718 29.292 1.00 0.00 O ATOM 204 CB GLU A -2 49.977 13.019 31.360 1.00 0.00 C ATOM 205 CG GLU A -2 51.001 14.123 31.183 1.00 0.00 C ATOM 206 CD GLU A -2 51.054 15.055 32.367 1.00 0.00 C ATOM 207 OE1 GLU A -2 51.559 14.640 33.429 1.00 0.00 O ATOM 208 OE2 GLU A -2 50.594 16.204 32.250 1.00 0.00 O ATOM 0 H GLU A -2 48.270 11.289 31.259 1.00 0.00 H new ATOM 0 HA GLU A -2 49.721 12.607 29.260 1.00 0.00 H new ATOM 0 HB2 GLU A -2 48.997 13.470 31.519 1.00 0.00 H new ATOM 0 HB3 GLU A -2 50.219 12.456 32.262 1.00 0.00 H new ATOM 0 HG2 GLU A -2 51.985 13.680 31.029 1.00 0.00 H new ATOM 0 HG3 GLU A -2 50.764 14.694 30.285 1.00 0.00 H new ATOM 215 N GLY A -1 51.315 10.135 30.681 1.00 0.00 N ATOM 216 CA GLY A -1 52.525 9.344 30.594 1.00 0.00 C ATOM 217 C GLY A -1 52.389 8.164 29.650 1.00 0.00 C ATOM 218 O GLY A -1 53.321 7.364 29.504 1.00 0.00 O ATOM 0 H GLY A -1 50.586 9.742 31.276 1.00 0.00 H new ATOM 0 HA2 GLY A -1 53.345 9.979 30.259 1.00 0.00 H new ATOM 0 HA3 GLY A -1 52.788 8.980 31.587 1.00 0.00 H new ATOM 222 N ARG A 0 51.238 8.050 29.005 1.00 0.00 N ATOM 223 CA ARG A 0 50.989 6.949 28.076 1.00 0.00 C ATOM 224 C ARG A 0 50.950 7.468 26.662 1.00 0.00 C ATOM 225 O ARG A 0 51.733 7.049 25.811 1.00 0.00 O ATOM 226 CB ARG A 0 49.668 6.247 28.401 1.00 0.00 C ATOM 227 CG ARG A 0 49.484 5.961 29.870 1.00 0.00 C ATOM 228 CD ARG A 0 50.595 5.076 30.412 1.00 0.00 C ATOM 229 NE ARG A 0 50.645 5.089 31.873 1.00 0.00 N ATOM 230 CZ ARG A 0 51.773 4.982 32.585 1.00 0.00 C ATOM 231 NH1 ARG A 0 52.943 4.819 31.970 1.00 0.00 N ATOM 232 NH2 ARG A 0 51.728 5.037 33.911 1.00 0.00 N ATOM 0 H ARG A 0 50.461 8.703 29.105 1.00 0.00 H new ATOM 0 HA ARG A 0 51.800 6.228 28.178 1.00 0.00 H new ATOM 0 HB2 ARG A 0 48.841 6.867 28.053 1.00 0.00 H new ATOM 0 HB3 ARG A 0 49.618 5.309 27.847 1.00 0.00 H new ATOM 0 HG2 ARG A 0 49.463 6.899 30.424 1.00 0.00 H new ATOM 0 HG3 ARG A 0 48.521 5.475 30.029 1.00 0.00 H new ATOM 0 HD2 ARG A 0 50.446 4.054 30.064 1.00 0.00 H new ATOM 0 HD3 ARG A 0 51.552 5.412 30.014 1.00 0.00 H new ATOM 0 HE ARG A 0 49.766 5.186 32.381 1.00 0.00 H new ATOM 0 HH11 ARG A 0 52.982 4.775 30.952 1.00 0.00 H new ATOM 0 HH12 ARG A 0 53.800 4.738 32.517 1.00 0.00 H new ATOM 0 HH21 ARG A 0 50.834 5.161 34.386 1.00 0.00 H new ATOM 0 HH22 ARG A 0 52.587 4.955 34.454 1.00 0.00 H new ATOM 246 N MET A 1 50.048 8.392 26.423 1.00 0.00 N ATOM 247 CA MET A 1 49.895 8.988 25.124 1.00 0.00 C ATOM 248 C MET A 1 50.487 10.399 25.140 1.00 0.00 C ATOM 249 O MET A 1 50.011 11.274 25.855 1.00 0.00 O ATOM 250 CB MET A 1 48.405 8.986 24.694 1.00 0.00 C ATOM 251 CG MET A 1 47.451 9.575 25.724 1.00 0.00 C ATOM 252 SD MET A 1 45.728 9.557 25.183 1.00 0.00 S ATOM 253 CE MET A 1 45.436 7.798 25.004 1.00 0.00 C ATOM 0 H MET A 1 49.401 8.749 27.127 1.00 0.00 H new ATOM 0 HA MET A 1 50.438 8.400 24.384 1.00 0.00 H new ATOM 0 HB2 MET A 1 48.307 9.546 23.764 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.102 7.961 24.481 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.539 9.015 26.655 1.00 0.00 H new ATOM 0 HG3 MET A 1 47.747 10.601 25.940 1.00 0.00 H new ATOM 0 HE1 MET A 1 44.363 7.607 24.991 1.00 0.00 H new ATOM 0 HE2 MET A 1 45.878 7.449 24.071 1.00 0.00 H new ATOM 0 HE3 MET A 1 45.889 7.267 25.841 1.00 0.00 H new ATOM 263 N ASP A 2 51.543 10.596 24.371 1.00 0.00 N ATOM 264 CA ASP A 2 52.245 11.876 24.349 1.00 0.00 C ATOM 265 C ASP A 2 52.269 12.465 22.951 1.00 0.00 C ATOM 266 O ASP A 2 52.340 11.734 21.959 1.00 0.00 O ATOM 267 CB ASP A 2 53.684 11.701 24.867 1.00 0.00 C ATOM 268 CG ASP A 2 54.517 12.970 24.756 1.00 0.00 C ATOM 269 OD1 ASP A 2 54.238 13.934 25.494 1.00 0.00 O ATOM 270 OD2 ASP A 2 55.465 13.004 23.939 1.00 0.00 O ATOM 0 H ASP A 2 51.937 9.888 23.751 1.00 0.00 H new ATOM 0 HA ASP A 2 51.708 12.565 25.001 1.00 0.00 H new ATOM 0 HB2 ASP A 2 53.653 11.384 25.909 1.00 0.00 H new ATOM 0 HB3 ASP A 2 54.171 10.903 24.306 1.00 0.00 H new ATOM 275 N VAL A 3 52.194 13.786 22.875 1.00 0.00 N ATOM 276 CA VAL A 3 52.254 14.479 21.605 1.00 0.00 C ATOM 277 C VAL A 3 53.638 14.287 20.995 1.00 0.00 C ATOM 278 O VAL A 3 54.636 14.758 21.539 1.00 0.00 O ATOM 279 CB VAL A 3 51.966 15.990 21.766 1.00 0.00 C ATOM 280 CG1 VAL A 3 51.865 16.663 20.409 1.00 0.00 C ATOM 281 CG2 VAL A 3 50.692 16.214 22.569 1.00 0.00 C ATOM 0 H VAL A 3 52.091 14.398 23.684 1.00 0.00 H new ATOM 0 HA VAL A 3 51.489 14.060 20.951 1.00 0.00 H new ATOM 0 HB VAL A 3 52.797 16.438 22.311 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.662 17.725 20.544 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.804 16.539 19.870 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.056 16.209 19.837 1.00 0.00 H new ATOM 0 HG21 VAL A 3 50.509 17.284 22.670 1.00 0.00 H new ATOM 0 HG22 VAL A 3 49.851 15.749 22.055 1.00 0.00 H new ATOM 0 HG23 VAL A 3 50.803 15.770 23.558 1.00 0.00 H new ATOM 291 N GLY A 4 53.685 13.601 19.878 1.00 0.00 N ATOM 292 CA GLY A 4 54.945 13.271 19.257 1.00 0.00 C ATOM 293 C GLY A 4 55.127 11.775 19.171 1.00 0.00 C ATOM 294 O GLY A 4 55.974 11.278 18.427 1.00 0.00 O ATOM 0 H GLY A 4 52.863 13.260 19.380 1.00 0.00 H new ATOM 0 HA2 GLY A 4 54.987 13.705 18.258 1.00 0.00 H new ATOM 0 HA3 GLY A 4 55.763 13.709 19.829 1.00 0.00 H new ATOM 298 N GLN A 5 54.327 11.051 19.936 1.00 0.00 N ATOM 299 CA GLN A 5 54.351 9.603 19.915 1.00 0.00 C ATOM 300 C GLN A 5 53.476 9.084 18.795 1.00 0.00 C ATOM 301 O GLN A 5 52.599 9.795 18.299 1.00 0.00 O ATOM 302 CB GLN A 5 53.890 9.032 21.255 1.00 0.00 C ATOM 303 CG GLN A 5 54.918 9.166 22.361 1.00 0.00 C ATOM 304 CD GLN A 5 56.154 8.334 22.094 1.00 0.00 C ATOM 305 OE1 GLN A 5 57.108 8.794 21.468 1.00 0.00 O ATOM 306 NE2 GLN A 5 56.144 7.104 22.564 1.00 0.00 N ATOM 0 H GLN A 5 53.648 11.450 20.584 1.00 0.00 H new ATOM 0 HA GLN A 5 55.377 9.279 19.742 1.00 0.00 H new ATOM 0 HB2 GLN A 5 52.974 9.538 21.559 1.00 0.00 H new ATOM 0 HB3 GLN A 5 53.644 7.978 21.125 1.00 0.00 H new ATOM 0 HG2 GLN A 5 55.202 10.213 22.466 1.00 0.00 H new ATOM 0 HG3 GLN A 5 54.473 8.860 23.308 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.333 6.761 23.078 1.00 0.00 H new ATOM 0 HE22 GLN A 5 56.948 6.494 22.414 1.00 0.00 H new ATOM 315 N LYS A 6 53.713 7.860 18.396 1.00 0.00 N ATOM 316 CA LYS A 6 52.962 7.260 17.323 1.00 0.00 C ATOM 317 C LYS A 6 51.832 6.411 17.871 1.00 0.00 C ATOM 318 O LYS A 6 51.952 5.813 18.942 1.00 0.00 O ATOM 319 CB LYS A 6 53.892 6.430 16.439 1.00 0.00 C ATOM 320 CG LYS A 6 54.928 7.273 15.710 1.00 0.00 C ATOM 321 CD LYS A 6 56.044 6.425 15.122 1.00 0.00 C ATOM 322 CE LYS A 6 55.524 5.387 14.143 1.00 0.00 C ATOM 323 NZ LYS A 6 56.634 4.662 13.480 1.00 0.00 N ATOM 0 H LYS A 6 54.427 7.255 18.802 1.00 0.00 H new ATOM 0 HA LYS A 6 52.520 8.050 16.716 1.00 0.00 H new ATOM 0 HB2 LYS A 6 54.402 5.688 17.054 1.00 0.00 H new ATOM 0 HB3 LYS A 6 53.297 5.883 15.708 1.00 0.00 H new ATOM 0 HG2 LYS A 6 54.442 7.835 14.913 1.00 0.00 H new ATOM 0 HG3 LYS A 6 55.352 8.002 16.400 1.00 0.00 H new ATOM 0 HD2 LYS A 6 56.761 7.072 14.616 1.00 0.00 H new ATOM 0 HD3 LYS A 6 56.580 5.924 15.928 1.00 0.00 H new ATOM 0 HE2 LYS A 6 54.887 4.676 14.669 1.00 0.00 H new ATOM 0 HE3 LYS A 6 54.905 5.874 13.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 56.244 3.961 12.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 57.228 5.338 12.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 57.210 4.178 14.198 1.00 0.00 H new ATOM 337 N VAL A 7 50.731 6.376 17.154 1.00 0.00 N ATOM 338 CA VAL A 7 49.577 5.603 17.569 1.00 0.00 C ATOM 339 C VAL A 7 48.932 4.910 16.397 1.00 0.00 C ATOM 340 O VAL A 7 48.828 5.467 15.303 1.00 0.00 O ATOM 341 CB VAL A 7 48.514 6.461 18.304 1.00 0.00 C ATOM 342 CG1 VAL A 7 48.947 6.766 19.727 1.00 0.00 C ATOM 343 CG2 VAL A 7 48.244 7.746 17.545 1.00 0.00 C ATOM 0 H VAL A 7 50.608 6.877 16.274 1.00 0.00 H new ATOM 0 HA VAL A 7 49.954 4.859 18.270 1.00 0.00 H new ATOM 0 HB VAL A 7 47.590 5.884 18.347 1.00 0.00 H new ATOM 0 HG11 VAL A 7 48.183 7.369 20.218 1.00 0.00 H new ATOM 0 HG12 VAL A 7 49.081 5.833 20.274 1.00 0.00 H new ATOM 0 HG13 VAL A 7 49.888 7.316 19.711 1.00 0.00 H new ATOM 0 HG21 VAL A 7 47.496 8.333 18.078 1.00 0.00 H new ATOM 0 HG22 VAL A 7 49.166 8.321 17.464 1.00 0.00 H new ATOM 0 HG23 VAL A 7 47.876 7.509 16.547 1.00 0.00 H new ATOM 353 N ARG A 8 48.512 3.698 16.627 1.00 0.00 N ATOM 354 CA ARG A 8 47.871 2.899 15.615 1.00 0.00 C ATOM 355 C ARG A 8 46.403 2.741 15.946 1.00 0.00 C ATOM 356 O ARG A 8 46.049 2.455 17.093 1.00 0.00 O ATOM 357 CB ARG A 8 48.551 1.532 15.537 1.00 0.00 C ATOM 358 CG ARG A 8 47.938 0.574 14.532 1.00 0.00 C ATOM 359 CD ARG A 8 48.596 -0.790 14.627 1.00 0.00 C ATOM 360 NE ARG A 8 47.999 -1.764 13.713 1.00 0.00 N ATOM 361 CZ ARG A 8 47.248 -2.796 14.103 1.00 0.00 C ATOM 362 NH1 ARG A 8 46.931 -2.954 15.389 1.00 0.00 N ATOM 363 NH2 ARG A 8 46.804 -3.665 13.203 1.00 0.00 N ATOM 0 H ARG A 8 48.605 3.231 17.529 1.00 0.00 H new ATOM 0 HA ARG A 8 47.960 3.392 14.647 1.00 0.00 H new ATOM 0 HB2 ARG A 8 49.601 1.678 15.285 1.00 0.00 H new ATOM 0 HB3 ARG A 8 48.521 1.070 16.524 1.00 0.00 H new ATOM 0 HG2 ARG A 8 46.868 0.481 14.715 1.00 0.00 H new ATOM 0 HG3 ARG A 8 48.055 0.971 13.524 1.00 0.00 H new ATOM 0 HD2 ARG A 8 49.659 -0.693 14.406 1.00 0.00 H new ATOM 0 HD3 ARG A 8 48.515 -1.159 15.650 1.00 0.00 H new ATOM 0 HE ARG A 8 48.168 -1.647 12.714 1.00 0.00 H new ATOM 0 HH11 ARG A 8 47.263 -2.283 16.082 1.00 0.00 H new ATOM 0 HH12 ARG A 8 46.357 -3.745 15.679 1.00 0.00 H new ATOM 0 HH21 ARG A 8 47.037 -3.543 12.218 1.00 0.00 H new ATOM 0 HH22 ARG A 8 46.230 -4.455 13.497 1.00 0.00 H new ATOM 377 N VAL A 9 45.545 2.954 14.968 1.00 0.00 N ATOM 378 CA VAL A 9 44.124 2.786 15.185 1.00 0.00 C ATOM 379 C VAL A 9 43.809 1.302 15.212 1.00 0.00 C ATOM 380 O VAL A 9 43.738 0.649 14.170 1.00 0.00 O ATOM 381 CB VAL A 9 43.284 3.480 14.095 1.00 0.00 C ATOM 382 CG1 VAL A 9 41.830 3.582 14.530 1.00 0.00 C ATOM 383 CG2 VAL A 9 43.849 4.855 13.780 1.00 0.00 C ATOM 0 H VAL A 9 45.805 3.241 14.024 1.00 0.00 H new ATOM 0 HA VAL A 9 43.864 3.252 16.135 1.00 0.00 H new ATOM 0 HB VAL A 9 43.329 2.878 13.188 1.00 0.00 H new ATOM 0 HG11 VAL A 9 41.250 4.074 13.749 1.00 0.00 H new ATOM 0 HG12 VAL A 9 41.431 2.582 14.703 1.00 0.00 H new ATOM 0 HG13 VAL A 9 41.765 4.162 15.450 1.00 0.00 H new ATOM 0 HG21 VAL A 9 43.243 5.329 13.008 1.00 0.00 H new ATOM 0 HG22 VAL A 9 43.836 5.469 14.681 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.875 4.754 13.425 1.00 0.00 H new ATOM 393 N CYS A 10 43.648 0.775 16.402 1.00 0.00 N ATOM 394 CA CYS A 10 43.442 -0.644 16.584 1.00 0.00 C ATOM 395 C CYS A 10 41.974 -1.007 16.527 1.00 0.00 C ATOM 396 O CYS A 10 41.614 -2.093 16.074 1.00 0.00 O ATOM 397 CB CYS A 10 44.029 -1.083 17.925 1.00 0.00 C ATOM 398 SG CYS A 10 43.930 -2.859 18.246 1.00 0.00 S ATOM 0 H CYS A 10 43.656 1.313 17.268 1.00 0.00 H new ATOM 0 HA CYS A 10 43.948 -1.163 15.770 1.00 0.00 H new ATOM 0 HB2 CYS A 10 45.075 -0.778 17.966 1.00 0.00 H new ATOM 0 HB3 CYS A 10 43.511 -0.553 18.724 1.00 0.00 H new ATOM 0 HG CYS A 10 42.969 -3.375 17.538 1.00 0.00 H new ATOM 404 N ARG A 11 41.129 -0.104 16.970 1.00 0.00 N ATOM 405 CA ARG A 11 39.713 -0.384 17.062 1.00 0.00 C ATOM 406 C ARG A 11 38.920 0.900 17.051 1.00 0.00 C ATOM 407 O ARG A 11 39.483 1.972 17.136 1.00 0.00 O ATOM 408 CB ARG A 11 39.433 -1.153 18.352 1.00 0.00 C ATOM 409 CG ARG A 11 39.930 -0.432 19.598 1.00 0.00 C ATOM 410 CD ARG A 11 39.704 -1.254 20.848 1.00 0.00 C ATOM 411 NE ARG A 11 40.097 -0.528 22.056 1.00 0.00 N ATOM 412 CZ ARG A 11 40.300 -1.101 23.244 1.00 0.00 C ATOM 413 NH1 ARG A 11 40.119 -2.407 23.391 1.00 0.00 N ATOM 414 NH2 ARG A 11 40.674 -0.365 24.283 1.00 0.00 N ATOM 0 H ARG A 11 41.398 0.832 17.273 1.00 0.00 H new ATOM 0 HA ARG A 11 39.413 -0.985 16.203 1.00 0.00 H new ATOM 0 HB2 ARG A 11 38.360 -1.322 18.441 1.00 0.00 H new ATOM 0 HB3 ARG A 11 39.906 -2.133 18.294 1.00 0.00 H new ATOM 0 HG2 ARG A 11 40.993 -0.214 19.493 1.00 0.00 H new ATOM 0 HG3 ARG A 11 39.417 0.525 19.694 1.00 0.00 H new ATOM 0 HD2 ARG A 11 38.652 -1.530 20.916 1.00 0.00 H new ATOM 0 HD3 ARG A 11 40.273 -2.181 20.781 1.00 0.00 H new ATOM 0 HE ARG A 11 40.224 0.482 21.986 1.00 0.00 H new ATOM 0 HH11 ARG A 11 39.825 -2.974 22.596 1.00 0.00 H new ATOM 0 HH12 ARG A 11 40.274 -2.844 24.299 1.00 0.00 H new ATOM 0 HH21 ARG A 11 40.807 0.640 24.174 1.00 0.00 H new ATOM 0 HH22 ARG A 11 40.829 -0.805 25.190 1.00 0.00 H new ATOM 428 N ILE A 12 37.617 0.778 16.940 1.00 0.00 N ATOM 429 CA ILE A 12 36.734 1.926 16.974 1.00 0.00 C ATOM 430 C ILE A 12 35.781 1.779 18.149 1.00 0.00 C ATOM 431 O ILE A 12 35.218 0.700 18.368 1.00 0.00 O ATOM 432 CB ILE A 12 35.936 2.070 15.645 1.00 0.00 C ATOM 433 CG1 ILE A 12 36.911 2.243 14.462 1.00 0.00 C ATOM 434 CG2 ILE A 12 34.950 3.243 15.717 1.00 0.00 C ATOM 435 CD1 ILE A 12 37.728 3.521 14.504 1.00 0.00 C ATOM 0 H ILE A 12 37.139 -0.115 16.824 1.00 0.00 H new ATOM 0 HA ILE A 12 37.334 2.828 17.092 1.00 0.00 H new ATOM 0 HB ILE A 12 35.355 1.161 15.490 1.00 0.00 H new ATOM 0 HG12 ILE A 12 37.592 1.392 14.441 1.00 0.00 H new ATOM 0 HG13 ILE A 12 36.343 2.220 13.532 1.00 0.00 H new ATOM 0 HG21 ILE A 12 34.407 3.320 14.775 1.00 0.00 H new ATOM 0 HG22 ILE A 12 34.244 3.076 16.531 1.00 0.00 H new ATOM 0 HG23 ILE A 12 35.498 4.168 15.896 1.00 0.00 H new ATOM 0 HD11 ILE A 12 38.386 3.561 13.636 1.00 0.00 H new ATOM 0 HD12 ILE A 12 37.059 4.381 14.492 1.00 0.00 H new ATOM 0 HD13 ILE A 12 38.327 3.540 15.414 1.00 0.00 H new ATOM 447 N ARG A 13 35.615 2.839 18.915 1.00 0.00 N ATOM 448 CA ARG A 13 34.761 2.803 20.096 1.00 0.00 C ATOM 449 C ARG A 13 33.299 2.985 19.691 1.00 0.00 C ATOM 450 O ARG A 13 32.643 3.967 20.075 1.00 0.00 O ATOM 451 CB ARG A 13 35.199 3.879 21.105 1.00 0.00 C ATOM 452 CG ARG A 13 34.542 3.769 22.478 1.00 0.00 C ATOM 453 CD ARG A 13 34.808 2.416 23.121 1.00 0.00 C ATOM 454 NE ARG A 13 34.360 2.371 24.514 1.00 0.00 N ATOM 455 CZ ARG A 13 33.562 1.428 25.027 1.00 0.00 C ATOM 456 NH1 ARG A 13 33.094 0.447 24.259 1.00 0.00 N ATOM 457 NH2 ARG A 13 33.237 1.468 26.314 1.00 0.00 N ATOM 0 H ARG A 13 36.060 3.741 18.744 1.00 0.00 H new ATOM 0 HA ARG A 13 34.861 1.831 20.579 1.00 0.00 H new ATOM 0 HB2 ARG A 13 36.280 3.823 21.229 1.00 0.00 H new ATOM 0 HB3 ARG A 13 34.976 4.861 20.688 1.00 0.00 H new ATOM 0 HG2 ARG A 13 34.918 4.560 23.126 1.00 0.00 H new ATOM 0 HG3 ARG A 13 33.467 3.921 22.381 1.00 0.00 H new ATOM 0 HD2 ARG A 13 34.299 1.638 22.552 1.00 0.00 H new ATOM 0 HD3 ARG A 13 35.875 2.197 23.076 1.00 0.00 H new ATOM 0 HE ARG A 13 34.679 3.112 25.138 1.00 0.00 H new ATOM 0 HH11 ARG A 13 33.343 0.410 23.271 1.00 0.00 H new ATOM 0 HH12 ARG A 13 32.486 -0.268 24.659 1.00 0.00 H new ATOM 0 HH21 ARG A 13 33.596 2.216 26.908 1.00 0.00 H new ATOM 0 HH22 ARG A 13 32.629 0.751 26.709 1.00 0.00 H new ATOM 471 N ASP A 14 32.812 2.021 18.893 1.00 0.00 N ATOM 472 CA ASP A 14 31.446 2.024 18.353 1.00 0.00 C ATOM 473 C ASP A 14 31.260 3.181 17.381 1.00 0.00 C ATOM 474 O ASP A 14 32.083 4.093 17.335 1.00 0.00 O ATOM 475 CB ASP A 14 30.388 2.090 19.467 1.00 0.00 C ATOM 476 CG ASP A 14 30.416 0.886 20.383 1.00 0.00 C ATOM 477 OD1 ASP A 14 29.999 -0.206 19.950 1.00 0.00 O ATOM 478 OD2 ASP A 14 30.839 1.028 21.548 1.00 0.00 O ATOM 0 H ASP A 14 33.361 1.212 18.603 1.00 0.00 H new ATOM 0 HA ASP A 14 31.305 1.084 17.820 1.00 0.00 H new ATOM 0 HB2 ASP A 14 30.546 2.992 20.058 1.00 0.00 H new ATOM 0 HB3 ASP A 14 29.399 2.174 19.016 1.00 0.00 H new ATOM 483 N ARG A 15 30.188 3.131 16.592 1.00 0.00 N ATOM 484 CA ARG A 15 29.889 4.199 15.635 1.00 0.00 C ATOM 485 C ARG A 15 31.045 4.368 14.640 1.00 0.00 C ATOM 486 O ARG A 15 31.809 5.331 14.709 1.00 0.00 O ATOM 487 CB ARG A 15 29.656 5.508 16.392 1.00 0.00 C ATOM 488 CG ARG A 15 29.149 6.661 15.552 1.00 0.00 C ATOM 489 CD ARG A 15 29.338 7.975 16.290 1.00 0.00 C ATOM 490 NE ARG A 15 29.067 7.837 17.726 1.00 0.00 N ATOM 491 CZ ARG A 15 28.448 8.737 18.483 1.00 0.00 C ATOM 492 NH1 ARG A 15 27.978 9.862 17.947 1.00 0.00 N ATOM 493 NH2 ARG A 15 28.298 8.506 19.783 1.00 0.00 N ATOM 0 H ARG A 15 29.513 2.366 16.595 1.00 0.00 H new ATOM 0 HA ARG A 15 28.990 3.935 15.077 1.00 0.00 H new ATOM 0 HB2 ARG A 15 28.941 5.322 17.194 1.00 0.00 H new ATOM 0 HB3 ARG A 15 30.592 5.808 16.863 1.00 0.00 H new ATOM 0 HG2 ARG A 15 29.683 6.690 14.602 1.00 0.00 H new ATOM 0 HG3 ARG A 15 28.094 6.515 15.321 1.00 0.00 H new ATOM 0 HD2 ARG A 15 30.358 8.330 16.145 1.00 0.00 H new ATOM 0 HD3 ARG A 15 28.675 8.729 15.866 1.00 0.00 H new ATOM 0 HE ARG A 15 29.380 6.979 18.181 1.00 0.00 H new ATOM 0 HH11 ARG A 15 28.092 10.038 16.949 1.00 0.00 H new ATOM 0 HH12 ARG A 15 27.504 10.548 18.535 1.00 0.00 H new ATOM 0 HH21 ARG A 15 28.657 7.643 20.192 1.00 0.00 H new ATOM 0 HH22 ARG A 15 27.824 9.191 20.371 1.00 0.00 H new ATOM 507 N VAL A 16 31.183 3.430 13.734 1.00 0.00 N ATOM 508 CA VAL A 16 32.271 3.475 12.781 1.00 0.00 C ATOM 509 C VAL A 16 31.948 4.401 11.616 1.00 0.00 C ATOM 510 O VAL A 16 31.022 4.148 10.845 1.00 0.00 O ATOM 511 CB VAL A 16 32.610 2.065 12.242 1.00 0.00 C ATOM 512 CG1 VAL A 16 33.760 2.128 11.252 1.00 0.00 C ATOM 513 CG2 VAL A 16 32.948 1.123 13.387 1.00 0.00 C ATOM 0 H VAL A 16 30.560 2.629 13.635 1.00 0.00 H new ATOM 0 HA VAL A 16 33.140 3.865 13.311 1.00 0.00 H new ATOM 0 HB VAL A 16 31.732 1.680 11.723 1.00 0.00 H new ATOM 0 HG11 VAL A 16 33.981 1.125 10.886 1.00 0.00 H new ATOM 0 HG12 VAL A 16 33.484 2.767 10.414 1.00 0.00 H new ATOM 0 HG13 VAL A 16 34.642 2.537 11.745 1.00 0.00 H new ATOM 0 HG21 VAL A 16 33.184 0.136 12.989 1.00 0.00 H new ATOM 0 HG22 VAL A 16 33.809 1.509 13.934 1.00 0.00 H new ATOM 0 HG23 VAL A 16 32.094 1.048 14.061 1.00 0.00 H new ATOM 523 N ALA A 17 32.707 5.476 11.504 1.00 0.00 N ATOM 524 CA ALA A 17 32.549 6.409 10.409 1.00 0.00 C ATOM 525 C ALA A 17 33.341 5.934 9.201 1.00 0.00 C ATOM 526 O ALA A 17 34.388 5.290 9.348 1.00 0.00 O ATOM 527 CB ALA A 17 32.977 7.811 10.823 1.00 0.00 C ATOM 0 H ALA A 17 33.444 5.724 12.165 1.00 0.00 H new ATOM 0 HA ALA A 17 31.494 6.451 10.138 1.00 0.00 H new ATOM 0 HB1 ALA A 17 32.849 8.494 9.983 1.00 0.00 H new ATOM 0 HB2 ALA A 17 32.364 8.146 11.660 1.00 0.00 H new ATOM 0 HB3 ALA A 17 34.025 7.798 11.123 1.00 0.00 H new ATOM 533 N GLN A 18 32.855 6.266 8.019 1.00 0.00 N ATOM 534 CA GLN A 18 33.475 5.838 6.763 1.00 0.00 C ATOM 535 C GLN A 18 34.919 6.327 6.626 1.00 0.00 C ATOM 536 O GLN A 18 35.719 5.718 5.927 1.00 0.00 O ATOM 537 CB GLN A 18 32.652 6.329 5.575 1.00 0.00 C ATOM 538 CG GLN A 18 32.535 7.844 5.494 1.00 0.00 C ATOM 539 CD GLN A 18 31.726 8.303 4.306 1.00 0.00 C ATOM 540 OE1 GLN A 18 30.812 7.615 3.860 1.00 0.00 O ATOM 541 NE2 GLN A 18 32.057 9.466 3.790 1.00 0.00 N ATOM 0 H GLN A 18 32.020 6.839 7.895 1.00 0.00 H new ATOM 0 HA GLN A 18 33.497 4.748 6.775 1.00 0.00 H new ATOM 0 HB2 GLN A 18 33.103 5.959 4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 18 31.652 5.899 5.635 1.00 0.00 H new ATOM 0 HG2 GLN A 18 32.074 8.218 6.408 1.00 0.00 H new ATOM 0 HG3 GLN A 18 33.533 8.279 5.439 1.00 0.00 H new ATOM 0 HE21 GLN A 18 32.824 10.003 4.194 1.00 0.00 H new ATOM 0 HE22 GLN A 18 31.547 9.831 2.986 1.00 0.00 H new ATOM 550 N ASP A 19 35.245 7.419 7.292 1.00 0.00 N ATOM 551 CA ASP A 19 36.586 7.984 7.197 1.00 0.00 C ATOM 552 C ASP A 19 37.546 7.328 8.175 1.00 0.00 C ATOM 553 O ASP A 19 38.685 7.020 7.822 1.00 0.00 O ATOM 554 CB ASP A 19 36.564 9.496 7.429 1.00 0.00 C ATOM 555 CG ASP A 19 35.825 10.246 6.343 1.00 0.00 C ATOM 556 OD1 ASP A 19 36.459 10.620 5.329 1.00 0.00 O ATOM 557 OD2 ASP A 19 34.611 10.474 6.494 1.00 0.00 O ATOM 0 H ASP A 19 34.608 7.932 7.901 1.00 0.00 H new ATOM 0 HA ASP A 19 36.941 7.785 6.186 1.00 0.00 H new ATOM 0 HB2 ASP A 19 36.096 9.704 8.391 1.00 0.00 H new ATOM 0 HB3 ASP A 19 37.588 9.865 7.486 1.00 0.00 H new ATOM 562 N ILE A 20 37.086 7.094 9.397 1.00 0.00 N ATOM 563 CA ILE A 20 37.947 6.533 10.435 1.00 0.00 C ATOM 564 C ILE A 20 38.210 5.042 10.221 1.00 0.00 C ATOM 565 O ILE A 20 39.241 4.524 10.641 1.00 0.00 O ATOM 566 CB ILE A 20 37.385 6.780 11.863 1.00 0.00 C ATOM 567 CG1 ILE A 20 36.046 6.059 12.066 1.00 0.00 C ATOM 568 CG2 ILE A 20 37.239 8.275 12.121 1.00 0.00 C ATOM 569 CD1 ILE A 20 35.416 6.316 13.424 1.00 0.00 C ATOM 0 H ILE A 20 36.129 7.282 9.695 1.00 0.00 H new ATOM 0 HA ILE A 20 38.897 7.060 10.352 1.00 0.00 H new ATOM 0 HB ILE A 20 38.093 6.369 12.583 1.00 0.00 H new ATOM 0 HG12 ILE A 20 35.352 6.374 11.287 1.00 0.00 H new ATOM 0 HG13 ILE A 20 36.198 4.987 11.943 1.00 0.00 H new ATOM 0 HG21 ILE A 20 36.844 8.434 13.125 1.00 0.00 H new ATOM 0 HG22 ILE A 20 38.213 8.756 12.033 1.00 0.00 H new ATOM 0 HG23 ILE A 20 36.555 8.705 11.390 1.00 0.00 H new ATOM 0 HD11 ILE A 20 34.473 5.775 13.496 1.00 0.00 H new ATOM 0 HD12 ILE A 20 36.091 5.975 14.209 1.00 0.00 H new ATOM 0 HD13 ILE A 20 35.231 7.384 13.543 1.00 0.00 H new ATOM 581 N ILE A 21 37.292 4.359 9.540 1.00 0.00 N ATOM 582 CA ILE A 21 37.456 2.931 9.270 1.00 0.00 C ATOM 583 C ILE A 21 38.612 2.697 8.290 1.00 0.00 C ATOM 584 O ILE A 21 39.220 1.632 8.271 1.00 0.00 O ATOM 585 CB ILE A 21 36.148 2.289 8.712 1.00 0.00 C ATOM 586 CG1 ILE A 21 36.283 0.759 8.636 1.00 0.00 C ATOM 587 CG2 ILE A 21 35.796 2.865 7.346 1.00 0.00 C ATOM 588 CD1 ILE A 21 35.033 0.053 8.146 1.00 0.00 C ATOM 0 H ILE A 21 36.434 4.766 9.168 1.00 0.00 H new ATOM 0 HA ILE A 21 37.686 2.449 10.220 1.00 0.00 H new ATOM 0 HB ILE A 21 35.336 2.529 9.399 1.00 0.00 H new ATOM 0 HG12 ILE A 21 37.112 0.510 7.973 1.00 0.00 H new ATOM 0 HG13 ILE A 21 36.540 0.378 9.624 1.00 0.00 H new ATOM 0 HG21 ILE A 21 34.880 2.400 6.980 1.00 0.00 H new ATOM 0 HG22 ILE A 21 35.647 3.941 7.432 1.00 0.00 H new ATOM 0 HG23 ILE A 21 36.608 2.666 6.647 1.00 0.00 H new ATOM 0 HD11 ILE A 21 35.209 -1.022 8.121 1.00 0.00 H new ATOM 0 HD12 ILE A 21 34.205 0.269 8.821 1.00 0.00 H new ATOM 0 HD13 ILE A 21 34.786 0.404 7.144 1.00 0.00 H new ATOM 600 N GLN A 22 38.929 3.721 7.504 1.00 0.00 N ATOM 601 CA GLN A 22 39.998 3.633 6.514 1.00 0.00 C ATOM 602 C GLN A 22 41.361 3.833 7.168 1.00 0.00 C ATOM 603 O GLN A 22 42.397 3.733 6.514 1.00 0.00 O ATOM 604 CB GLN A 22 39.788 4.674 5.411 1.00 0.00 C ATOM 605 CG GLN A 22 38.443 4.560 4.717 1.00 0.00 C ATOM 606 CD GLN A 22 38.268 5.562 3.590 1.00 0.00 C ATOM 607 OE1 GLN A 22 39.230 5.952 2.925 1.00 0.00 O ATOM 608 NE2 GLN A 22 37.041 5.992 3.375 1.00 0.00 N ATOM 0 H GLN A 22 38.459 4.626 7.534 1.00 0.00 H new ATOM 0 HA GLN A 22 39.970 2.637 6.072 1.00 0.00 H new ATOM 0 HB2 GLN A 22 39.882 5.671 5.841 1.00 0.00 H new ATOM 0 HB3 GLN A 22 40.580 4.570 4.669 1.00 0.00 H new ATOM 0 HG2 GLN A 22 38.330 3.551 4.319 1.00 0.00 H new ATOM 0 HG3 GLN A 22 37.649 4.704 5.450 1.00 0.00 H new ATOM 0 HE21 GLN A 22 36.271 5.645 3.947 1.00 0.00 H new ATOM 0 HE22 GLN A 22 36.861 6.672 2.636 1.00 0.00 H new ATOM 617 N LYS A 23 41.355 4.138 8.455 1.00 0.00 N ATOM 618 CA LYS A 23 42.587 4.344 9.186 1.00 0.00 C ATOM 619 C LYS A 23 42.841 3.180 10.141 1.00 0.00 C ATOM 620 O LYS A 23 43.833 3.168 10.864 1.00 0.00 O ATOM 621 CB LYS A 23 42.526 5.666 9.960 1.00 0.00 C ATOM 622 CG LYS A 23 42.022 6.857 9.133 1.00 0.00 C ATOM 623 CD LYS A 23 43.110 7.543 8.306 1.00 0.00 C ATOM 624 CE LYS A 23 43.632 6.642 7.208 1.00 0.00 C ATOM 625 NZ LYS A 23 44.176 7.407 6.061 1.00 0.00 N ATOM 0 H LYS A 23 40.508 4.248 9.013 1.00 0.00 H new ATOM 0 HA LYS A 23 43.411 4.392 8.475 1.00 0.00 H new ATOM 0 HB2 LYS A 23 41.876 5.538 10.825 1.00 0.00 H new ATOM 0 HB3 LYS A 23 43.521 5.897 10.341 1.00 0.00 H new ATOM 0 HG2 LYS A 23 41.233 6.514 8.464 1.00 0.00 H new ATOM 0 HG3 LYS A 23 41.574 7.589 9.805 1.00 0.00 H new ATOM 0 HD2 LYS A 23 42.711 8.457 7.867 1.00 0.00 H new ATOM 0 HD3 LYS A 23 43.933 7.835 8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 23 44.411 5.995 7.612 1.00 0.00 H new ATOM 0 HE3 LYS A 23 42.828 5.994 6.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 44.427 6.751 5.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 43.459 8.079 5.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 45.024 7.928 6.362 1.00 0.00 H new ATOM 639 N LEU A 24 41.939 2.195 10.130 1.00 0.00 N ATOM 640 CA LEU A 24 42.083 1.021 10.987 1.00 0.00 C ATOM 641 C LEU A 24 43.305 0.213 10.599 1.00 0.00 C ATOM 642 O LEU A 24 43.484 -0.143 9.431 1.00 0.00 O ATOM 643 CB LEU A 24 40.832 0.138 10.946 1.00 0.00 C ATOM 644 CG LEU A 24 39.687 0.560 11.871 1.00 0.00 C ATOM 645 CD1 LEU A 24 38.521 -0.401 11.742 1.00 0.00 C ATOM 646 CD2 LEU A 24 40.166 0.616 13.315 1.00 0.00 C ATOM 0 H LEU A 24 41.107 2.189 9.540 1.00 0.00 H new ATOM 0 HA LEU A 24 42.211 1.380 12.008 1.00 0.00 H new ATOM 0 HB2 LEU A 24 40.458 0.118 9.922 1.00 0.00 H new ATOM 0 HB3 LEU A 24 41.122 -0.882 11.200 1.00 0.00 H new ATOM 0 HG LEU A 24 39.352 1.554 11.575 1.00 0.00 H new ATOM 0 HD11 LEU A 24 37.716 -0.087 12.406 1.00 0.00 H new ATOM 0 HD12 LEU A 24 38.163 -0.402 10.713 1.00 0.00 H new ATOM 0 HD13 LEU A 24 38.845 -1.405 12.015 1.00 0.00 H new ATOM 0 HD21 LEU A 24 39.341 0.917 13.961 1.00 0.00 H new ATOM 0 HD22 LEU A 24 40.523 -0.368 13.618 1.00 0.00 H new ATOM 0 HD23 LEU A 24 40.977 1.339 13.401 1.00 0.00 H new ATOM 658 N GLY A 25 44.153 -0.060 11.572 1.00 0.00 N ATOM 659 CA GLY A 25 45.366 -0.801 11.317 1.00 0.00 C ATOM 660 C GLY A 25 46.499 0.113 10.911 1.00 0.00 C ATOM 661 O GLY A 25 47.665 -0.280 10.923 1.00 0.00 O ATOM 0 H GLY A 25 44.022 0.221 12.544 1.00 0.00 H new ATOM 0 HA2 GLY A 25 45.648 -1.357 12.211 1.00 0.00 H new ATOM 0 HA3 GLY A 25 45.188 -1.533 10.529 1.00 0.00 H new ATOM 665 N GLN A 26 46.155 1.337 10.577 1.00 0.00 N ATOM 666 CA GLN A 26 47.117 2.315 10.144 1.00 0.00 C ATOM 667 C GLN A 26 47.664 3.082 11.342 1.00 0.00 C ATOM 668 O GLN A 26 46.929 3.386 12.291 1.00 0.00 O ATOM 669 CB GLN A 26 46.470 3.259 9.126 1.00 0.00 C ATOM 670 CG GLN A 26 47.376 4.360 8.629 1.00 0.00 C ATOM 671 CD GLN A 26 46.819 5.069 7.414 1.00 0.00 C ATOM 672 OE1 GLN A 26 46.155 4.468 6.569 1.00 0.00 O ATOM 673 NE2 GLN A 26 47.044 6.357 7.345 1.00 0.00 N ATOM 0 H GLN A 26 45.194 1.679 10.600 1.00 0.00 H new ATOM 0 HA GLN A 26 47.955 1.812 9.661 1.00 0.00 H new ATOM 0 HB2 GLN A 26 46.129 2.674 8.272 1.00 0.00 H new ATOM 0 HB3 GLN A 26 45.586 3.709 9.578 1.00 0.00 H new ATOM 0 HG2 GLN A 26 47.532 5.085 9.428 1.00 0.00 H new ATOM 0 HG3 GLN A 26 48.352 3.940 8.384 1.00 0.00 H new ATOM 0 HE21 GLN A 26 47.600 6.817 8.066 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.664 6.900 6.570 1.00 0.00 H new ATOM 682 N VAL A 27 48.948 3.373 11.304 1.00 0.00 N ATOM 683 CA VAL A 27 49.602 4.071 12.387 1.00 0.00 C ATOM 684 C VAL A 27 49.968 5.499 11.988 1.00 0.00 C ATOM 685 O VAL A 27 50.435 5.751 10.871 1.00 0.00 O ATOM 686 CB VAL A 27 50.865 3.305 12.864 1.00 0.00 C ATOM 687 CG1 VAL A 27 51.832 3.085 11.721 1.00 0.00 C ATOM 688 CG2 VAL A 27 51.549 4.038 14.005 1.00 0.00 C ATOM 0 H VAL A 27 49.563 3.133 10.526 1.00 0.00 H new ATOM 0 HA VAL A 27 48.895 4.120 13.215 1.00 0.00 H new ATOM 0 HB VAL A 27 50.542 2.330 13.229 1.00 0.00 H new ATOM 0 HG11 VAL A 27 52.707 2.546 12.084 1.00 0.00 H new ATOM 0 HG12 VAL A 27 51.345 2.502 10.940 1.00 0.00 H new ATOM 0 HG13 VAL A 27 52.141 4.048 11.315 1.00 0.00 H new ATOM 0 HG21 VAL A 27 52.431 3.479 14.320 1.00 0.00 H new ATOM 0 HG22 VAL A 27 51.849 5.031 13.671 1.00 0.00 H new ATOM 0 HG23 VAL A 27 50.859 4.130 14.844 1.00 0.00 H new ATOM 698 N GLY A 28 49.733 6.422 12.893 1.00 0.00 N ATOM 699 CA GLY A 28 50.062 7.802 12.665 1.00 0.00 C ATOM 700 C GLY A 28 50.801 8.377 13.842 1.00 0.00 C ATOM 701 O GLY A 28 51.333 7.631 14.665 1.00 0.00 O ATOM 0 H GLY A 28 49.310 6.234 13.802 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.674 7.891 11.767 1.00 0.00 H new ATOM 0 HA3 GLY A 28 49.151 8.373 12.488 1.00 0.00 H new ATOM 705 N GLN A 29 50.829 9.684 13.947 1.00 0.00 N ATOM 706 CA GLN A 29 51.529 10.331 15.035 1.00 0.00 C ATOM 707 C GLN A 29 50.623 11.333 15.742 1.00 0.00 C ATOM 708 O GLN A 29 49.851 12.046 15.098 1.00 0.00 O ATOM 709 CB GLN A 29 52.784 11.020 14.509 1.00 0.00 C ATOM 710 CG GLN A 29 53.694 11.575 15.587 1.00 0.00 C ATOM 711 CD GLN A 29 54.947 12.188 15.012 1.00 0.00 C ATOM 712 OE1 GLN A 29 54.938 12.712 13.895 1.00 0.00 O ATOM 713 NE2 GLN A 29 56.034 12.127 15.756 1.00 0.00 N ATOM 0 H GLN A 29 50.376 10.322 13.293 1.00 0.00 H new ATOM 0 HA GLN A 29 51.822 9.573 15.761 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.348 10.309 13.906 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.487 11.834 13.848 1.00 0.00 H new ATOM 0 HG2 GLN A 29 53.155 12.327 16.164 1.00 0.00 H new ATOM 0 HG3 GLN A 29 53.966 10.777 16.278 1.00 0.00 H new ATOM 0 HE21 GLN A 29 55.999 11.685 16.675 1.00 0.00 H new ATOM 0 HE22 GLN A 29 56.910 12.522 15.413 1.00 0.00 H new ATOM 722 N ILE A 30 50.713 11.368 17.065 1.00 0.00 N ATOM 723 CA ILE A 30 49.922 12.289 17.867 1.00 0.00 C ATOM 724 C ILE A 30 50.458 13.698 17.713 1.00 0.00 C ATOM 725 O ILE A 30 51.562 13.996 18.161 1.00 0.00 O ATOM 726 CB ILE A 30 49.964 11.921 19.371 1.00 0.00 C ATOM 727 CG1 ILE A 30 49.531 10.470 19.590 1.00 0.00 C ATOM 728 CG2 ILE A 30 49.077 12.871 20.177 1.00 0.00 C ATOM 729 CD1 ILE A 30 49.598 10.029 21.038 1.00 0.00 C ATOM 0 H ILE A 30 51.331 10.764 17.608 1.00 0.00 H new ATOM 0 HA ILE A 30 48.893 12.223 17.513 1.00 0.00 H new ATOM 0 HB ILE A 30 50.992 12.024 19.718 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.510 10.346 19.228 1.00 0.00 H new ATOM 0 HG13 ILE A 30 50.164 9.816 18.990 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.117 12.599 21.232 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.432 13.894 20.052 1.00 0.00 H new ATOM 0 HG23 ILE A 30 48.049 12.798 19.822 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.277 8.990 21.117 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.622 10.121 21.399 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.943 10.658 21.641 1.00 0.00 H new ATOM 741 N THR A 31 49.695 14.555 17.081 1.00 0.00 N ATOM 742 CA THR A 31 50.110 15.926 16.909 1.00 0.00 C ATOM 743 C THR A 31 49.411 16.842 17.902 1.00 0.00 C ATOM 744 O THR A 31 49.724 18.032 17.999 1.00 0.00 O ATOM 745 CB THR A 31 49.860 16.411 15.483 1.00 0.00 C ATOM 746 OG1 THR A 31 48.524 16.076 15.071 1.00 0.00 O ATOM 747 CG2 THR A 31 50.871 15.795 14.528 1.00 0.00 C ATOM 0 H THR A 31 48.786 14.329 16.678 1.00 0.00 H new ATOM 0 HA THR A 31 51.183 15.962 17.100 1.00 0.00 H new ATOM 0 HB THR A 31 49.974 17.495 15.461 1.00 0.00 H new ATOM 0 HG1 THR A 31 48.537 15.761 14.143 1.00 0.00 H new ATOM 0 HG21 THR A 31 50.679 16.151 13.516 1.00 0.00 H new ATOM 0 HG22 THR A 31 51.878 16.083 14.829 1.00 0.00 H new ATOM 0 HG23 THR A 31 50.781 14.709 14.554 1.00 0.00 H new ATOM 755 N GLY A 32 48.476 16.280 18.652 1.00 0.00 N ATOM 756 CA GLY A 32 47.770 17.045 19.641 1.00 0.00 C ATOM 757 C GLY A 32 46.611 16.284 20.227 1.00 0.00 C ATOM 758 O GLY A 32 46.264 15.201 19.750 1.00 0.00 O ATOM 0 H GLY A 32 48.197 15.301 18.588 1.00 0.00 H new ATOM 0 HA2 GLY A 32 48.457 17.328 20.438 1.00 0.00 H new ATOM 0 HA3 GLY A 32 47.406 17.969 19.192 1.00 0.00 H new ATOM 762 N PHE A 33 46.019 16.837 21.263 1.00 0.00 N ATOM 763 CA PHE A 33 44.871 16.230 21.904 1.00 0.00 C ATOM 764 C PHE A 33 43.613 16.993 21.550 1.00 0.00 C ATOM 765 O PHE A 33 43.666 18.185 21.230 1.00 0.00 O ATOM 766 CB PHE A 33 45.046 16.194 23.426 1.00 0.00 C ATOM 767 CG PHE A 33 46.029 15.167 23.906 1.00 0.00 C ATOM 768 CD1 PHE A 33 45.679 13.829 23.953 1.00 0.00 C ATOM 769 CD2 PHE A 33 47.299 15.538 24.318 1.00 0.00 C ATOM 770 CE1 PHE A 33 46.573 12.879 24.399 1.00 0.00 C ATOM 771 CE2 PHE A 33 48.200 14.591 24.769 1.00 0.00 C ATOM 772 CZ PHE A 33 47.834 13.259 24.809 1.00 0.00 C ATOM 0 H PHE A 33 46.318 17.717 21.684 1.00 0.00 H new ATOM 0 HA PHE A 33 44.785 15.205 21.543 1.00 0.00 H new ATOM 0 HB2 PHE A 33 45.369 17.178 23.767 1.00 0.00 H new ATOM 0 HB3 PHE A 33 44.078 15.998 23.888 1.00 0.00 H new ATOM 0 HD1 PHE A 33 44.692 13.525 23.636 1.00 0.00 H new ATOM 0 HD2 PHE A 33 47.588 16.578 24.287 1.00 0.00 H new ATOM 0 HE1 PHE A 33 46.286 11.838 24.427 1.00 0.00 H new ATOM 0 HE2 PHE A 33 49.187 14.891 25.089 1.00 0.00 H new ATOM 0 HZ PHE A 33 48.535 12.516 25.161 1.00 0.00 H new ATOM 782 N LYS A 34 42.491 16.313 21.599 1.00 0.00 N ATOM 783 CA LYS A 34 41.218 16.917 21.281 1.00 0.00 C ATOM 784 C LYS A 34 40.183 16.512 22.320 1.00 0.00 C ATOM 785 O LYS A 34 39.897 15.336 22.480 1.00 0.00 O ATOM 786 CB LYS A 34 40.770 16.461 19.895 1.00 0.00 C ATOM 787 CG LYS A 34 39.652 17.283 19.297 1.00 0.00 C ATOM 788 CD LYS A 34 39.167 16.669 17.997 1.00 0.00 C ATOM 789 CE LYS A 34 38.038 17.472 17.381 1.00 0.00 C ATOM 790 NZ LYS A 34 38.462 18.845 17.013 1.00 0.00 N ATOM 0 H LYS A 34 42.435 15.328 21.860 1.00 0.00 H new ATOM 0 HA LYS A 34 41.320 18.002 21.287 1.00 0.00 H new ATOM 0 HB2 LYS A 34 41.627 16.491 19.222 1.00 0.00 H new ATOM 0 HB3 LYS A 34 40.448 15.421 19.955 1.00 0.00 H new ATOM 0 HG2 LYS A 34 38.825 17.349 20.004 1.00 0.00 H new ATOM 0 HG3 LYS A 34 39.999 18.300 19.117 1.00 0.00 H new ATOM 0 HD2 LYS A 34 39.996 16.608 17.292 1.00 0.00 H new ATOM 0 HD3 LYS A 34 38.829 15.649 18.181 1.00 0.00 H new ATOM 0 HE2 LYS A 34 37.671 16.957 16.493 1.00 0.00 H new ATOM 0 HE3 LYS A 34 37.207 17.527 18.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 37.724 19.292 16.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 38.610 19.406 17.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 39.349 18.801 16.472 1.00 0.00 H new ATOM 804 N MET A 35 39.634 17.476 23.026 1.00 0.00 N ATOM 805 CA MET A 35 38.631 17.182 24.044 1.00 0.00 C ATOM 806 C MET A 35 37.323 16.734 23.389 1.00 0.00 C ATOM 807 O MET A 35 36.763 17.439 22.536 1.00 0.00 O ATOM 808 CB MET A 35 38.404 18.400 24.962 1.00 0.00 C ATOM 809 CG MET A 35 37.999 19.672 24.230 1.00 0.00 C ATOM 810 SD MET A 35 37.886 21.103 25.322 1.00 0.00 S ATOM 811 CE MET A 35 37.445 22.380 24.143 1.00 0.00 C ATOM 0 H MET A 35 39.858 18.465 22.921 1.00 0.00 H new ATOM 0 HA MET A 35 38.999 16.365 24.665 1.00 0.00 H new ATOM 0 HB2 MET A 35 37.631 18.152 25.690 1.00 0.00 H new ATOM 0 HB3 MET A 35 39.319 18.593 25.522 1.00 0.00 H new ATOM 0 HG2 MET A 35 38.724 19.878 23.442 1.00 0.00 H new ATOM 0 HG3 MET A 35 37.036 19.515 23.744 1.00 0.00 H new ATOM 0 HE1 MET A 35 37.337 23.333 24.662 1.00 0.00 H new ATOM 0 HE2 MET A 35 38.227 22.464 23.389 1.00 0.00 H new ATOM 0 HE3 MET A 35 36.502 22.120 23.661 1.00 0.00 H new ATOM 821 N THR A 36 36.849 15.566 23.774 1.00 0.00 N ATOM 822 CA THR A 36 35.639 15.010 23.203 1.00 0.00 C ATOM 823 C THR A 36 34.562 14.850 24.267 1.00 0.00 C ATOM 824 O THR A 36 34.803 15.100 25.450 1.00 0.00 O ATOM 825 CB THR A 36 35.914 13.642 22.535 1.00 0.00 C ATOM 826 OG1 THR A 36 36.558 12.758 23.467 1.00 0.00 O ATOM 827 CG2 THR A 36 36.792 13.808 21.300 1.00 0.00 C ATOM 0 H THR A 36 37.287 14.980 24.485 1.00 0.00 H new ATOM 0 HA THR A 36 35.288 15.707 22.442 1.00 0.00 H new ATOM 0 HB THR A 36 34.959 13.215 22.230 1.00 0.00 H new ATOM 0 HG1 THR A 36 36.497 11.836 23.139 1.00 0.00 H new ATOM 0 HG21 THR A 36 36.972 12.833 20.848 1.00 0.00 H new ATOM 0 HG22 THR A 36 36.290 14.455 20.581 1.00 0.00 H new ATOM 0 HG23 THR A 36 37.743 14.255 21.587 1.00 0.00 H new ATOM 835 N ASP A 37 33.380 14.439 23.847 1.00 0.00 N ATOM 836 CA ASP A 37 32.275 14.247 24.769 1.00 0.00 C ATOM 837 C ASP A 37 32.035 12.766 25.018 1.00 0.00 C ATOM 838 O ASP A 37 31.688 12.365 26.132 1.00 0.00 O ATOM 839 CB ASP A 37 31.006 14.899 24.225 1.00 0.00 C ATOM 840 CG ASP A 37 29.854 14.829 25.203 1.00 0.00 C ATOM 841 OD1 ASP A 37 29.767 15.706 26.087 1.00 0.00 O ATOM 842 OD2 ASP A 37 29.024 13.906 25.089 1.00 0.00 O ATOM 0 H ASP A 37 33.160 14.231 22.873 1.00 0.00 H new ATOM 0 HA ASP A 37 32.536 14.721 25.715 1.00 0.00 H new ATOM 0 HB2 ASP A 37 31.212 15.942 23.985 1.00 0.00 H new ATOM 0 HB3 ASP A 37 30.719 14.408 23.295 1.00 0.00 H new ATOM 847 N GLY A 38 32.234 11.959 23.974 1.00 0.00 N ATOM 848 CA GLY A 38 32.031 10.520 24.074 1.00 0.00 C ATOM 849 C GLY A 38 32.860 9.884 25.173 1.00 0.00 C ATOM 850 O GLY A 38 32.345 9.567 26.246 1.00 0.00 O ATOM 0 H GLY A 38 32.535 12.280 23.054 1.00 0.00 H new ATOM 0 HA2 GLY A 38 30.976 10.319 24.259 1.00 0.00 H new ATOM 0 HA3 GLY A 38 32.282 10.055 23.121 1.00 0.00 H new ATOM 854 N SER A 39 34.139 9.699 24.911 1.00 0.00 N ATOM 855 CA SER A 39 35.041 9.121 25.892 1.00 0.00 C ATOM 856 C SER A 39 35.566 10.191 26.840 1.00 0.00 C ATOM 857 O SER A 39 35.763 9.943 28.031 1.00 0.00 O ATOM 858 CB SER A 39 36.210 8.432 25.194 1.00 0.00 C ATOM 859 OG SER A 39 35.761 7.397 24.331 1.00 0.00 O ATOM 0 H SER A 39 34.580 9.941 24.024 1.00 0.00 H new ATOM 0 HA SER A 39 34.485 8.384 26.471 1.00 0.00 H new ATOM 0 HB2 SER A 39 36.777 9.165 24.621 1.00 0.00 H new ATOM 0 HB3 SER A 39 36.888 8.017 25.940 1.00 0.00 H new ATOM 0 HG SER A 39 36.270 6.579 24.509 1.00 0.00 H new ATOM 865 N GLY A 40 35.783 11.378 26.306 1.00 0.00 N ATOM 866 CA GLY A 40 36.314 12.460 27.095 1.00 0.00 C ATOM 867 C GLY A 40 37.580 12.997 26.487 1.00 0.00 C ATOM 868 O GLY A 40 37.662 14.171 26.126 1.00 0.00 O ATOM 0 H GLY A 40 35.598 11.612 25.330 1.00 0.00 H new ATOM 0 HA2 GLY A 40 35.575 13.258 27.170 1.00 0.00 H new ATOM 0 HA3 GLY A 40 36.512 12.113 28.109 1.00 0.00 H new ATOM 872 N VAL A 41 38.568 12.135 26.348 1.00 0.00 N ATOM 873 CA VAL A 41 39.821 12.521 25.749 1.00 0.00 C ATOM 874 C VAL A 41 39.934 11.956 24.337 1.00 0.00 C ATOM 875 O VAL A 41 39.662 10.776 24.099 1.00 0.00 O ATOM 876 CB VAL A 41 41.025 12.049 26.593 1.00 0.00 C ATOM 877 CG1 VAL A 41 42.340 12.508 25.973 1.00 0.00 C ATOM 878 CG2 VAL A 41 40.901 12.549 28.025 1.00 0.00 C ATOM 0 H VAL A 41 38.522 11.160 26.644 1.00 0.00 H new ATOM 0 HA VAL A 41 39.839 13.610 25.707 1.00 0.00 H new ATOM 0 HB VAL A 41 41.023 10.959 26.607 1.00 0.00 H new ATOM 0 HG11 VAL A 41 43.172 12.163 26.587 1.00 0.00 H new ATOM 0 HG12 VAL A 41 42.433 12.094 24.969 1.00 0.00 H new ATOM 0 HG13 VAL A 41 42.356 13.597 25.919 1.00 0.00 H new ATOM 0 HG21 VAL A 41 41.758 12.207 28.605 1.00 0.00 H new ATOM 0 HG22 VAL A 41 40.872 13.639 28.029 1.00 0.00 H new ATOM 0 HG23 VAL A 41 39.984 12.160 28.468 1.00 0.00 H new ATOM 888 N GLY A 42 40.291 12.811 23.409 1.00 0.00 N ATOM 889 CA GLY A 42 40.478 12.402 22.044 1.00 0.00 C ATOM 890 C GLY A 42 41.886 12.679 21.587 1.00 0.00 C ATOM 891 O GLY A 42 42.539 13.597 22.095 1.00 0.00 O ATOM 0 H GLY A 42 40.458 13.803 23.580 1.00 0.00 H new ATOM 0 HA2 GLY A 42 40.263 11.338 21.946 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.773 12.930 21.402 1.00 0.00 H new ATOM 895 N VAL A 43 42.353 11.908 20.643 1.00 0.00 N ATOM 896 CA VAL A 43 43.705 12.032 20.158 1.00 0.00 C ATOM 897 C VAL A 43 43.710 12.404 18.680 1.00 0.00 C ATOM 898 O VAL A 43 43.124 11.701 17.856 1.00 0.00 O ATOM 899 CB VAL A 43 44.478 10.703 20.349 1.00 0.00 C ATOM 900 CG1 VAL A 43 45.937 10.867 19.981 1.00 0.00 C ATOM 901 CG2 VAL A 43 44.341 10.195 21.778 1.00 0.00 C ATOM 0 H VAL A 43 41.809 11.176 20.187 1.00 0.00 H new ATOM 0 HA VAL A 43 44.195 12.819 20.732 1.00 0.00 H new ATOM 0 HB VAL A 43 44.039 9.963 19.680 1.00 0.00 H new ATOM 0 HG11 VAL A 43 46.457 9.920 20.124 1.00 0.00 H new ATOM 0 HG12 VAL A 43 46.017 11.171 18.937 1.00 0.00 H new ATOM 0 HG13 VAL A 43 46.389 11.629 20.616 1.00 0.00 H new ATOM 0 HG21 VAL A 43 44.892 9.261 21.887 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.744 10.937 22.468 1.00 0.00 H new ATOM 0 HG23 VAL A 43 43.289 10.023 22.004 1.00 0.00 H new ATOM 911 N ILE A 44 44.354 13.514 18.346 1.00 0.00 N ATOM 912 CA ILE A 44 44.464 13.932 16.960 1.00 0.00 C ATOM 913 C ILE A 44 45.673 13.269 16.331 1.00 0.00 C ATOM 914 O ILE A 44 46.823 13.587 16.661 1.00 0.00 O ATOM 915 CB ILE A 44 44.558 15.469 16.812 1.00 0.00 C ATOM 916 CG1 ILE A 44 43.288 16.119 17.356 1.00 0.00 C ATOM 917 CG2 ILE A 44 44.776 15.856 15.349 1.00 0.00 C ATOM 918 CD1 ILE A 44 43.244 17.619 17.180 1.00 0.00 C ATOM 0 H ILE A 44 44.806 14.138 19.015 1.00 0.00 H new ATOM 0 HA ILE A 44 43.555 13.621 16.445 1.00 0.00 H new ATOM 0 HB ILE A 44 45.412 15.827 17.387 1.00 0.00 H new ATOM 0 HG12 ILE A 44 42.424 15.679 16.857 1.00 0.00 H new ATOM 0 HG13 ILE A 44 43.197 15.885 18.417 1.00 0.00 H new ATOM 0 HG21 ILE A 44 44.840 16.941 15.265 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.703 15.409 14.989 1.00 0.00 H new ATOM 0 HG23 ILE A 44 43.941 15.494 14.749 1.00 0.00 H new ATOM 0 HD11 ILE A 44 42.312 18.006 17.591 1.00 0.00 H new ATOM 0 HD12 ILE A 44 44.087 18.072 17.703 1.00 0.00 H new ATOM 0 HD13 ILE A 44 43.302 17.863 16.119 1.00 0.00 H new ATOM 930 N VAL A 45 45.411 12.337 15.447 1.00 0.00 N ATOM 931 CA VAL A 45 46.453 11.565 14.826 1.00 0.00 C ATOM 932 C VAL A 45 46.706 12.020 13.398 1.00 0.00 C ATOM 933 O VAL A 45 45.815 11.968 12.549 1.00 0.00 O ATOM 934 CB VAL A 45 46.089 10.064 14.817 1.00 0.00 C ATOM 935 CG1 VAL A 45 47.258 9.228 14.329 1.00 0.00 C ATOM 936 CG2 VAL A 45 45.636 9.612 16.197 1.00 0.00 C ATOM 0 H VAL A 45 44.469 12.094 15.140 1.00 0.00 H new ATOM 0 HA VAL A 45 47.359 11.720 15.412 1.00 0.00 H new ATOM 0 HB VAL A 45 45.260 9.919 14.124 1.00 0.00 H new ATOM 0 HG11 VAL A 45 46.978 8.175 14.331 1.00 0.00 H new ATOM 0 HG12 VAL A 45 47.524 9.531 13.316 1.00 0.00 H new ATOM 0 HG13 VAL A 45 48.113 9.378 14.989 1.00 0.00 H new ATOM 0 HG21 VAL A 45 45.384 8.552 16.168 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.440 9.775 16.915 1.00 0.00 H new ATOM 0 HG23 VAL A 45 44.759 10.185 16.498 1.00 0.00 H new ATOM 946 N THR A 46 47.908 12.475 13.143 1.00 0.00 N ATOM 947 CA THR A 46 48.302 12.851 11.812 1.00 0.00 C ATOM 948 C THR A 46 48.960 11.659 11.138 1.00 0.00 C ATOM 949 O THR A 46 49.911 11.080 11.669 1.00 0.00 O ATOM 950 CB THR A 46 49.273 14.046 11.825 1.00 0.00 C ATOM 951 OG1 THR A 46 48.632 15.184 12.426 1.00 0.00 O ATOM 952 CG2 THR A 46 49.710 14.401 10.412 1.00 0.00 C ATOM 0 H THR A 46 48.635 12.594 13.849 1.00 0.00 H new ATOM 0 HA THR A 46 47.413 13.155 11.260 1.00 0.00 H new ATOM 0 HB THR A 46 50.153 13.768 12.405 1.00 0.00 H new ATOM 0 HG1 THR A 46 48.995 16.007 12.037 1.00 0.00 H new ATOM 0 HG21 THR A 46 50.396 15.248 10.445 1.00 0.00 H new ATOM 0 HG22 THR A 46 50.212 13.545 9.961 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.836 14.665 9.816 1.00 0.00 H new ATOM 960 N PHE A 47 48.440 11.278 9.995 1.00 0.00 N ATOM 961 CA PHE A 47 48.952 10.124 9.288 1.00 0.00 C ATOM 962 C PHE A 47 49.868 10.524 8.150 1.00 0.00 C ATOM 963 O PHE A 47 50.040 11.709 7.851 1.00 0.00 O ATOM 964 CB PHE A 47 47.802 9.286 8.739 1.00 0.00 C ATOM 965 CG PHE A 47 46.938 8.672 9.792 1.00 0.00 C ATOM 966 CD1 PHE A 47 47.322 7.502 10.420 1.00 0.00 C ATOM 967 CD2 PHE A 47 45.742 9.258 10.150 1.00 0.00 C ATOM 968 CE1 PHE A 47 46.527 6.928 11.387 1.00 0.00 C ATOM 969 CE2 PHE A 47 44.943 8.691 11.114 1.00 0.00 C ATOM 970 CZ PHE A 47 45.335 7.522 11.734 1.00 0.00 C ATOM 0 H PHE A 47 47.662 11.749 9.533 1.00 0.00 H new ATOM 0 HA PHE A 47 49.529 9.537 10.002 1.00 0.00 H new ATOM 0 HB2 PHE A 47 47.184 9.913 8.097 1.00 0.00 H new ATOM 0 HB3 PHE A 47 48.211 8.494 8.112 1.00 0.00 H new ATOM 0 HD1 PHE A 47 48.256 7.033 10.149 1.00 0.00 H new ATOM 0 HD2 PHE A 47 45.430 10.172 9.668 1.00 0.00 H new ATOM 0 HE1 PHE A 47 46.838 6.014 11.872 1.00 0.00 H new ATOM 0 HE2 PHE A 47 44.009 9.160 11.386 1.00 0.00 H new ATOM 0 HZ PHE A 47 44.707 7.074 12.490 1.00 0.00 H new ATOM 980 N ASP A 48 50.425 9.514 7.498 1.00 0.00 N ATOM 981 CA ASP A 48 51.303 9.690 6.347 1.00 0.00 C ATOM 982 C ASP A 48 50.533 10.266 5.166 1.00 0.00 C ATOM 983 O ASP A 48 51.117 10.659 4.161 1.00 0.00 O ATOM 984 CB ASP A 48 51.922 8.355 5.962 1.00 0.00 C ATOM 985 CG ASP A 48 50.875 7.290 5.683 1.00 0.00 C ATOM 986 OD1 ASP A 48 50.356 6.690 6.657 1.00 0.00 O ATOM 987 OD2 ASP A 48 50.562 7.046 4.502 1.00 0.00 O ATOM 0 H ASP A 48 50.279 8.538 7.755 1.00 0.00 H new ATOM 0 HA ASP A 48 52.094 10.390 6.617 1.00 0.00 H new ATOM 0 HB2 ASP A 48 52.545 8.488 5.078 1.00 0.00 H new ATOM 0 HB3 ASP A 48 52.576 8.016 6.765 1.00 0.00 H new ATOM 992 N ASP A 49 49.214 10.317 5.303 1.00 0.00 N ATOM 993 CA ASP A 49 48.340 10.867 4.275 1.00 0.00 C ATOM 994 C ASP A 49 48.380 12.387 4.300 1.00 0.00 C ATOM 995 O ASP A 49 47.796 13.037 3.440 1.00 0.00 O ATOM 996 CB ASP A 49 46.892 10.415 4.500 1.00 0.00 C ATOM 997 CG ASP A 49 46.736 8.920 4.590 1.00 0.00 C ATOM 998 OD1 ASP A 49 46.758 8.249 3.543 1.00 0.00 O ATOM 999 OD2 ASP A 49 46.568 8.406 5.712 1.00 0.00 O ATOM 0 H ASP A 49 48.721 9.979 6.129 1.00 0.00 H new ATOM 0 HA ASP A 49 48.693 10.503 3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 49 46.517 10.867 5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 49 46.272 10.788 3.685 1.00 0.00 H new ATOM 1004 N ARG A 50 49.060 12.940 5.322 1.00 0.00 N ATOM 1005 CA ARG A 50 49.164 14.399 5.531 1.00 0.00 C ATOM 1006 C ARG A 50 47.861 14.962 6.067 1.00 0.00 C ATOM 1007 O ARG A 50 47.691 16.175 6.194 1.00 0.00 O ATOM 1008 CB ARG A 50 49.592 15.141 4.254 1.00 0.00 C ATOM 1009 CG ARG A 50 51.095 15.215 4.043 1.00 0.00 C ATOM 1010 CD ARG A 50 51.738 13.844 4.035 1.00 0.00 C ATOM 1011 NE ARG A 50 53.176 13.921 3.813 1.00 0.00 N ATOM 1012 CZ ARG A 50 54.091 13.325 4.578 1.00 0.00 C ATOM 1013 NH1 ARG A 50 53.727 12.656 5.668 1.00 0.00 N ATOM 1014 NH2 ARG A 50 55.371 13.420 4.266 1.00 0.00 N ATOM 0 H ARG A 50 49.553 12.390 6.026 1.00 0.00 H new ATOM 0 HA ARG A 50 49.945 14.560 6.274 1.00 0.00 H new ATOM 0 HB2 ARG A 50 49.141 14.647 3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 50 49.192 16.154 4.286 1.00 0.00 H new ATOM 0 HG2 ARG A 50 51.304 15.718 3.099 1.00 0.00 H new ATOM 0 HG3 ARG A 50 51.542 15.820 4.832 1.00 0.00 H new ATOM 0 HD2 ARG A 50 51.543 13.346 4.985 1.00 0.00 H new ATOM 0 HD3 ARG A 50 51.282 13.234 3.255 1.00 0.00 H new ATOM 0 HE ARG A 50 53.505 14.468 3.018 1.00 0.00 H new ATOM 0 HH11 ARG A 50 52.742 12.596 5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 50 54.433 12.203 6.248 1.00 0.00 H new ATOM 0 HH21 ARG A 50 55.657 13.948 3.442 1.00 0.00 H new ATOM 0 HH22 ARG A 50 56.073 12.965 4.849 1.00 0.00 H new ATOM 1028 N SER A 51 46.952 14.075 6.389 1.00 0.00 N ATOM 1029 CA SER A 51 45.682 14.454 6.932 1.00 0.00 C ATOM 1030 C SER A 51 45.641 14.061 8.397 1.00 0.00 C ATOM 1031 O SER A 51 46.198 13.019 8.784 1.00 0.00 O ATOM 1032 CB SER A 51 44.557 13.759 6.166 1.00 0.00 C ATOM 1033 OG SER A 51 43.300 14.362 6.420 1.00 0.00 O ATOM 0 H SER A 51 47.078 13.069 6.280 1.00 0.00 H new ATOM 0 HA SER A 51 45.546 15.531 6.838 1.00 0.00 H new ATOM 0 HB2 SER A 51 44.768 13.794 5.097 1.00 0.00 H new ATOM 0 HB3 SER A 51 44.520 12.707 6.449 1.00 0.00 H new ATOM 0 HG SER A 51 42.604 13.894 5.913 1.00 0.00 H new ATOM 1039 N SER A 52 45.024 14.885 9.207 1.00 0.00 N ATOM 1040 CA SER A 52 44.918 14.607 10.610 1.00 0.00 C ATOM 1041 C SER A 52 43.513 14.144 10.952 1.00 0.00 C ATOM 1042 O SER A 52 42.528 14.816 10.635 1.00 0.00 O ATOM 1043 CB SER A 52 45.303 15.844 11.419 1.00 0.00 C ATOM 1044 OG SER A 52 44.569 16.986 10.994 1.00 0.00 O ATOM 0 H SER A 52 44.586 15.758 8.912 1.00 0.00 H new ATOM 0 HA SER A 52 45.608 13.803 10.867 1.00 0.00 H new ATOM 0 HB2 SER A 52 45.117 15.662 12.477 1.00 0.00 H new ATOM 0 HB3 SER A 52 46.371 16.034 11.311 1.00 0.00 H new ATOM 0 HG SER A 52 43.683 16.708 10.682 1.00 0.00 H new ATOM 1050 N THR A 53 43.421 12.999 11.576 1.00 0.00 N ATOM 1051 CA THR A 53 42.152 12.446 11.955 1.00 0.00 C ATOM 1052 C THR A 53 42.134 12.203 13.456 1.00 0.00 C ATOM 1053 O THR A 53 43.077 11.644 14.013 1.00 0.00 O ATOM 1054 CB THR A 53 41.869 11.125 11.194 1.00 0.00 C ATOM 1055 OG1 THR A 53 42.141 11.306 9.792 1.00 0.00 O ATOM 1056 CG2 THR A 53 40.417 10.701 11.370 1.00 0.00 C ATOM 0 H THR A 53 44.224 12.426 11.835 1.00 0.00 H new ATOM 0 HA THR A 53 41.369 13.157 11.691 1.00 0.00 H new ATOM 0 HB THR A 53 42.516 10.348 11.602 1.00 0.00 H new ATOM 0 HG1 THR A 53 41.963 10.469 9.314 1.00 0.00 H new ATOM 0 HG21 THR A 53 40.241 9.772 10.828 1.00 0.00 H new ATOM 0 HG22 THR A 53 40.208 10.548 12.429 1.00 0.00 H new ATOM 0 HG23 THR A 53 39.761 11.479 10.980 1.00 0.00 H new ATOM 1064 N TRP A 54 41.085 12.650 14.111 1.00 0.00 N ATOM 1065 CA TRP A 54 40.982 12.490 15.544 1.00 0.00 C ATOM 1066 C TRP A 54 40.235 11.222 15.901 1.00 0.00 C ATOM 1067 O TRP A 54 39.242 10.870 15.266 1.00 0.00 O ATOM 1068 CB TRP A 54 40.323 13.715 16.195 1.00 0.00 C ATOM 1069 CG TRP A 54 38.961 14.048 15.654 1.00 0.00 C ATOM 1070 CD1 TRP A 54 38.677 14.787 14.543 1.00 0.00 C ATOM 1071 CD2 TRP A 54 37.697 13.663 16.213 1.00 0.00 C ATOM 1072 NE1 TRP A 54 37.318 14.880 14.374 1.00 0.00 N ATOM 1073 CE2 TRP A 54 36.695 14.199 15.385 1.00 0.00 C ATOM 1074 CE3 TRP A 54 37.319 12.915 17.332 1.00 0.00 C ATOM 1075 CZ2 TRP A 54 35.340 14.010 15.638 1.00 0.00 C ATOM 1076 CZ3 TRP A 54 35.974 12.729 17.583 1.00 0.00 C ATOM 1077 CH2 TRP A 54 34.998 13.275 16.739 1.00 0.00 C ATOM 0 H TRP A 54 40.294 13.125 13.676 1.00 0.00 H new ATOM 0 HA TRP A 54 41.995 12.406 15.939 1.00 0.00 H new ATOM 0 HB2 TRP A 54 40.242 13.541 17.268 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.975 14.578 16.060 1.00 0.00 H new ATOM 0 HD1 TRP A 54 39.414 15.234 13.892 1.00 0.00 H new ATOM 0 HE1 TRP A 54 36.848 15.377 13.617 1.00 0.00 H new ATOM 0 HE3 TRP A 54 38.065 12.491 17.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 34.586 14.429 14.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 35.669 12.153 18.444 1.00 0.00 H new ATOM 0 HH2 TRP A 54 33.954 13.112 16.963 1.00 0.00 H new ATOM 1088 N PHE A 55 40.739 10.536 16.897 1.00 0.00 N ATOM 1089 CA PHE A 55 40.134 9.318 17.388 1.00 0.00 C ATOM 1090 C PHE A 55 39.980 9.423 18.882 1.00 0.00 C ATOM 1091 O PHE A 55 40.533 10.332 19.500 1.00 0.00 O ATOM 1092 CB PHE A 55 41.005 8.105 17.050 1.00 0.00 C ATOM 1093 CG PHE A 55 41.269 7.929 15.589 1.00 0.00 C ATOM 1094 CD1 PHE A 55 40.415 7.179 14.800 1.00 0.00 C ATOM 1095 CD2 PHE A 55 42.373 8.514 15.005 1.00 0.00 C ATOM 1096 CE1 PHE A 55 40.663 7.021 13.452 1.00 0.00 C ATOM 1097 CE2 PHE A 55 42.624 8.360 13.665 1.00 0.00 C ATOM 1098 CZ PHE A 55 41.770 7.613 12.884 1.00 0.00 C ATOM 0 H PHE A 55 41.587 10.807 17.395 1.00 0.00 H new ATOM 0 HA PHE A 55 39.162 9.186 16.913 1.00 0.00 H new ATOM 0 HB2 PHE A 55 41.958 8.199 17.571 1.00 0.00 H new ATOM 0 HB3 PHE A 55 40.520 7.206 17.431 1.00 0.00 H new ATOM 0 HD1 PHE A 55 39.547 6.713 15.243 1.00 0.00 H new ATOM 0 HD2 PHE A 55 43.048 9.101 15.610 1.00 0.00 H new ATOM 0 HE1 PHE A 55 39.991 6.434 12.843 1.00 0.00 H new ATOM 0 HE2 PHE A 55 43.492 8.825 13.222 1.00 0.00 H new ATOM 0 HZ PHE A 55 41.968 7.492 11.829 1.00 0.00 H new ATOM 1108 N PHE A 56 39.242 8.525 19.465 1.00 0.00 N ATOM 1109 CA PHE A 56 39.068 8.541 20.900 1.00 0.00 C ATOM 1110 C PHE A 56 40.224 7.825 21.602 1.00 0.00 C ATOM 1111 O PHE A 56 40.976 7.076 20.983 1.00 0.00 O ATOM 1112 CB PHE A 56 37.718 7.932 21.293 1.00 0.00 C ATOM 1113 CG PHE A 56 36.537 8.770 20.866 1.00 0.00 C ATOM 1114 CD1 PHE A 56 36.078 8.735 19.561 1.00 0.00 C ATOM 1115 CD2 PHE A 56 35.891 9.592 21.773 1.00 0.00 C ATOM 1116 CE1 PHE A 56 34.999 9.504 19.169 1.00 0.00 C ATOM 1117 CE2 PHE A 56 34.812 10.362 21.388 1.00 0.00 C ATOM 1118 CZ PHE A 56 34.365 10.317 20.085 1.00 0.00 C ATOM 0 H PHE A 56 38.751 7.774 18.979 1.00 0.00 H new ATOM 0 HA PHE A 56 39.074 9.580 21.229 1.00 0.00 H new ATOM 0 HB2 PHE A 56 37.631 6.941 20.848 1.00 0.00 H new ATOM 0 HB3 PHE A 56 37.688 7.799 22.374 1.00 0.00 H new ATOM 0 HD1 PHE A 56 36.569 8.099 18.840 1.00 0.00 H new ATOM 0 HD2 PHE A 56 36.236 9.631 22.796 1.00 0.00 H new ATOM 0 HE1 PHE A 56 34.653 9.468 18.147 1.00 0.00 H new ATOM 0 HE2 PHE A 56 34.319 10.999 22.107 1.00 0.00 H new ATOM 0 HZ PHE A 56 33.520 10.917 19.782 1.00 0.00 H new ATOM 1128 N GLU A 57 40.367 8.083 22.887 1.00 0.00 N ATOM 1129 CA GLU A 57 41.410 7.465 23.709 1.00 0.00 C ATOM 1130 C GLU A 57 41.319 5.922 23.671 1.00 0.00 C ATOM 1131 O GLU A 57 42.335 5.232 23.667 1.00 0.00 O ATOM 1132 CB GLU A 57 41.264 7.963 25.147 1.00 0.00 C ATOM 1133 CG GLU A 57 39.836 7.858 25.670 1.00 0.00 C ATOM 1134 CD GLU A 57 39.705 8.166 27.138 1.00 0.00 C ATOM 1135 OE1 GLU A 57 39.960 7.260 27.960 1.00 0.00 O ATOM 1136 OE2 GLU A 57 39.316 9.297 27.479 1.00 0.00 O ATOM 0 H GLU A 57 39.766 8.728 23.400 1.00 0.00 H new ATOM 0 HA GLU A 57 42.384 7.747 23.310 1.00 0.00 H new ATOM 0 HB2 GLU A 57 41.926 7.387 25.794 1.00 0.00 H new ATOM 0 HB3 GLU A 57 41.590 9.002 25.201 1.00 0.00 H new ATOM 0 HG2 GLU A 57 39.201 8.541 25.106 1.00 0.00 H new ATOM 0 HG3 GLU A 57 39.464 6.850 25.485 1.00 0.00 H new ATOM 1143 N ASP A 58 40.092 5.402 23.624 1.00 0.00 N ATOM 1144 CA ASP A 58 39.845 3.946 23.606 1.00 0.00 C ATOM 1145 C ASP A 58 39.993 3.395 22.194 1.00 0.00 C ATOM 1146 O ASP A 58 39.825 2.195 21.963 1.00 0.00 O ATOM 1147 CB ASP A 58 38.401 3.639 24.060 1.00 0.00 C ATOM 1148 CG ASP A 58 37.960 4.379 25.302 1.00 0.00 C ATOM 1149 OD1 ASP A 58 37.566 5.556 25.186 1.00 0.00 O ATOM 1150 OD2 ASP A 58 37.973 3.781 26.394 1.00 0.00 O ATOM 0 H ASP A 58 39.243 5.966 23.597 1.00 0.00 H new ATOM 0 HA ASP A 58 40.570 3.486 24.278 1.00 0.00 H new ATOM 0 HB2 ASP A 58 37.719 3.884 23.246 1.00 0.00 H new ATOM 0 HB3 ASP A 58 38.311 2.568 24.240 1.00 0.00 H new ATOM 1155 N GLU A 59 40.314 4.263 21.271 1.00 0.00 N ATOM 1156 CA GLU A 59 40.285 3.931 19.860 1.00 0.00 C ATOM 1157 C GLU A 59 41.677 3.616 19.296 1.00 0.00 C ATOM 1158 O GLU A 59 41.810 2.882 18.312 1.00 0.00 O ATOM 1159 CB GLU A 59 39.683 5.131 19.150 1.00 0.00 C ATOM 1160 CG GLU A 59 39.085 4.873 17.808 1.00 0.00 C ATOM 1161 CD GLU A 59 37.781 5.618 17.662 1.00 0.00 C ATOM 1162 OE1 GLU A 59 37.814 6.855 17.537 1.00 0.00 O ATOM 1163 OE2 GLU A 59 36.717 4.971 17.729 1.00 0.00 O ATOM 0 H GLU A 59 40.603 5.221 21.470 1.00 0.00 H new ATOM 0 HA GLU A 59 39.696 3.027 19.707 1.00 0.00 H new ATOM 0 HB2 GLU A 59 38.912 5.557 19.792 1.00 0.00 H new ATOM 0 HB3 GLU A 59 40.459 5.888 19.039 1.00 0.00 H new ATOM 0 HG2 GLU A 59 39.779 5.185 17.027 1.00 0.00 H new ATOM 0 HG3 GLU A 59 38.917 3.804 17.677 1.00 0.00 H new ATOM 1170 N VAL A 60 42.710 4.120 19.927 1.00 0.00 N ATOM 1171 CA VAL A 60 44.050 3.927 19.398 1.00 0.00 C ATOM 1172 C VAL A 60 44.988 3.291 20.413 1.00 0.00 C ATOM 1173 O VAL A 60 44.685 3.230 21.606 1.00 0.00 O ATOM 1174 CB VAL A 60 44.655 5.254 18.879 1.00 0.00 C ATOM 1175 CG1 VAL A 60 43.834 5.797 17.718 1.00 0.00 C ATOM 1176 CG2 VAL A 60 44.748 6.285 20.000 1.00 0.00 C ATOM 0 H VAL A 60 42.658 4.658 20.792 1.00 0.00 H new ATOM 0 HA VAL A 60 43.947 3.238 18.560 1.00 0.00 H new ATOM 0 HB VAL A 60 45.665 5.051 18.522 1.00 0.00 H new ATOM 0 HG11 VAL A 60 44.274 6.730 17.366 1.00 0.00 H new ATOM 0 HG12 VAL A 60 43.827 5.070 16.906 1.00 0.00 H new ATOM 0 HG13 VAL A 60 42.812 5.980 18.049 1.00 0.00 H new ATOM 0 HG21 VAL A 60 45.176 7.209 19.610 1.00 0.00 H new ATOM 0 HG22 VAL A 60 43.752 6.485 20.394 1.00 0.00 H new ATOM 0 HG23 VAL A 60 45.383 5.899 20.798 1.00 0.00 H new ATOM 1186 N GLU A 61 46.111 2.793 19.922 1.00 0.00 N ATOM 1187 CA GLU A 61 47.124 2.176 20.760 1.00 0.00 C ATOM 1188 C GLU A 61 48.458 2.899 20.577 1.00 0.00 C ATOM 1189 O GLU A 61 48.800 3.304 19.463 1.00 0.00 O ATOM 1190 CB GLU A 61 47.277 0.685 20.407 1.00 0.00 C ATOM 1191 CG GLU A 61 47.742 0.431 18.974 1.00 0.00 C ATOM 1192 CD GLU A 61 47.951 -1.039 18.670 1.00 0.00 C ATOM 1193 OE1 GLU A 61 48.764 -1.683 19.363 1.00 0.00 O ATOM 1194 OE2 GLU A 61 47.318 -1.556 17.723 1.00 0.00 O ATOM 0 H GLU A 61 46.345 2.806 18.929 1.00 0.00 H new ATOM 0 HA GLU A 61 46.815 2.255 21.802 1.00 0.00 H new ATOM 0 HB2 GLU A 61 47.989 0.230 21.095 1.00 0.00 H new ATOM 0 HB3 GLU A 61 46.321 0.185 20.562 1.00 0.00 H new ATOM 0 HG2 GLU A 61 47.005 0.838 18.281 1.00 0.00 H new ATOM 0 HG3 GLU A 61 48.674 0.968 18.800 1.00 0.00 H new ATOM 1201 N VAL A 62 49.196 3.071 21.662 1.00 0.00 N ATOM 1202 CA VAL A 62 50.496 3.734 21.599 1.00 0.00 C ATOM 1203 C VAL A 62 51.551 2.779 21.049 1.00 0.00 C ATOM 1204 O VAL A 62 51.669 1.638 21.510 1.00 0.00 O ATOM 1205 CB VAL A 62 50.933 4.270 22.986 1.00 0.00 C ATOM 1206 CG1 VAL A 62 52.303 4.937 22.907 1.00 0.00 C ATOM 1207 CG2 VAL A 62 49.897 5.248 23.524 1.00 0.00 C ATOM 0 H VAL A 62 48.922 2.763 22.595 1.00 0.00 H new ATOM 0 HA VAL A 62 50.399 4.587 20.928 1.00 0.00 H new ATOM 0 HB VAL A 62 51.007 3.425 23.670 1.00 0.00 H new ATOM 0 HG11 VAL A 62 52.586 5.304 23.893 1.00 0.00 H new ATOM 0 HG12 VAL A 62 53.041 4.212 22.564 1.00 0.00 H new ATOM 0 HG13 VAL A 62 52.262 5.772 22.207 1.00 0.00 H new ATOM 0 HG21 VAL A 62 50.216 5.617 24.499 1.00 0.00 H new ATOM 0 HG22 VAL A 62 49.795 6.086 22.834 1.00 0.00 H new ATOM 0 HG23 VAL A 62 48.937 4.742 23.624 1.00 0.00 H new ATOM 1217 N VAL A 63 52.300 3.245 20.063 1.00 0.00 N ATOM 1218 CA VAL A 63 53.311 2.433 19.410 1.00 0.00 C ATOM 1219 C VAL A 63 54.513 3.307 18.997 1.00 0.00 C ATOM 1220 O VAL A 63 54.399 4.528 18.911 1.00 0.00 O ATOM 1221 CB VAL A 63 52.697 1.721 18.164 1.00 0.00 C ATOM 1222 CG1 VAL A 63 52.226 2.731 17.137 1.00 0.00 C ATOM 1223 CG2 VAL A 63 53.665 0.729 17.540 1.00 0.00 C ATOM 0 H VAL A 63 52.224 4.193 19.695 1.00 0.00 H new ATOM 0 HA VAL A 63 53.663 1.674 20.109 1.00 0.00 H new ATOM 0 HB VAL A 63 51.832 1.156 18.512 1.00 0.00 H new ATOM 0 HG11 VAL A 63 51.803 2.208 16.280 1.00 0.00 H new ATOM 0 HG12 VAL A 63 51.466 3.374 17.581 1.00 0.00 H new ATOM 0 HG13 VAL A 63 53.070 3.339 16.811 1.00 0.00 H new ATOM 0 HG21 VAL A 63 53.196 0.257 16.677 1.00 0.00 H new ATOM 0 HG22 VAL A 63 54.567 1.252 17.223 1.00 0.00 H new ATOM 0 HG23 VAL A 63 53.927 -0.034 18.273 1.00 0.00 H new ATOM 1233 N GLY A 64 55.658 2.684 18.774 1.00 0.00 N ATOM 1234 CA GLY A 64 56.827 3.416 18.344 1.00 0.00 C ATOM 1235 C GLY A 64 57.583 4.021 19.500 1.00 0.00 C ATOM 1236 O GLY A 64 58.245 5.060 19.305 1.00 0.00 O ATOM 1237 OXT GLY A 64 57.523 3.461 20.612 1.00 0.00 O ATOM 0 H GLY A 64 55.798 1.680 18.884 1.00 0.00 H new ATOM 0 HA2 GLY A 64 57.488 2.748 17.791 1.00 0.00 H new ATOM 0 HA3 GLY A 64 56.525 4.207 17.657 1.00 0.00 H new