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 -131:sc= 0.808 USER MOD Set 1.2: A 46 THR OG1 : rot -150:sc= 0.323 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 134:sc= 1.1 (180deg=0.609) USER MOD Set 2.2: A 26 GLN : amide:sc= 1.38 K(o=2.5,f=-3.8) USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0809 (180deg=-0.486) USER MOD Single : A 5 GLN : amide:sc= -0.383 X(o=-0.38,f=-0.69) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ILE N :NH3+ 174:sc= -0.98 (180deg=-1.06) USER MOD Single : A 10 CYS SG : rot 83:sc= 0.187 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 22 GLN : amide:sc= 0.0619 X(o=0.062,f=-0.23) USER MOD Single : A 29 GLN : amide:sc=-0.00778 K(o=-0.0078,f=-0.91) USER MOD Single : A 34 LYS NZ :NH3+ -115:sc= 0.762 (180deg=0.0011) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 95:sc= 0.3 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 38:sc= 0.0185 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 181 N ILE A -3 45.824 8.324 30.110 1.00 0.00 N ATOM 182 CA ILE A -3 46.653 8.544 28.929 1.00 0.00 C ATOM 183 C ILE A -3 47.865 9.420 29.203 1.00 0.00 C ATOM 184 O ILE A -3 48.733 9.569 28.339 1.00 0.00 O ATOM 185 CB ILE A -3 45.830 9.165 27.799 1.00 0.00 C ATOM 186 CG1 ILE A -3 45.127 10.439 28.283 1.00 0.00 C ATOM 187 CG2 ILE A -3 44.829 8.156 27.279 1.00 0.00 C ATOM 188 CD1 ILE A -3 44.234 11.076 27.242 1.00 0.00 C ATOM 0 H1 ILE A -3 44.963 7.807 29.839 1.00 0.00 H new ATOM 0 H2 ILE A -3 46.356 7.768 30.809 1.00 0.00 H new ATOM 0 H3 ILE A -3 45.561 9.241 30.525 1.00 0.00 H new ATOM 0 HA ILE A -3 47.018 7.561 28.633 1.00 0.00 H new ATOM 0 HB ILE A -3 46.498 9.443 26.983 1.00 0.00 H new ATOM 0 HG12 ILE A -3 44.530 10.201 29.164 1.00 0.00 H new ATOM 0 HG13 ILE A -3 45.880 11.163 28.594 1.00 0.00 H new ATOM 0 HG21 ILE A -3 44.246 8.604 26.474 1.00 0.00 H new ATOM 0 HG22 ILE A -3 45.357 7.281 26.901 1.00 0.00 H new ATOM 0 HG23 ILE A -3 44.162 7.856 28.087 1.00 0.00 H new ATOM 0 HD11 ILE A -3 43.772 11.971 27.658 1.00 0.00 H new ATOM 0 HD12 ILE A -3 44.828 11.346 26.369 1.00 0.00 H new ATOM 0 HD13 ILE A -3 43.457 10.370 26.948 1.00 0.00 H new ATOM 200 N GLU A -2 47.937 9.990 30.395 1.00 0.00 N ATOM 201 CA GLU A -2 49.049 10.864 30.743 1.00 0.00 C ATOM 202 C GLU A -2 50.371 10.109 30.691 1.00 0.00 C ATOM 203 O GLU A -2 50.514 9.050 31.282 1.00 0.00 O ATOM 204 CB GLU A -2 48.822 11.535 32.113 1.00 0.00 C ATOM 205 CG GLU A -2 48.469 10.587 33.264 1.00 0.00 C ATOM 206 CD GLU A -2 49.680 10.049 33.995 1.00 0.00 C ATOM 207 OE1 GLU A -2 50.530 10.858 34.423 1.00 0.00 O ATOM 208 OE2 GLU A -2 49.776 8.824 34.175 1.00 0.00 O ATOM 0 H GLU A -2 47.245 9.866 31.134 1.00 0.00 H new ATOM 0 HA GLU A -2 49.101 11.661 30.001 1.00 0.00 H new ATOM 0 HB2 GLU A -2 49.724 12.085 32.382 1.00 0.00 H new ATOM 0 HB3 GLU A -2 48.021 12.267 32.011 1.00 0.00 H new ATOM 0 HG2 GLU A -2 47.830 11.112 33.974 1.00 0.00 H new ATOM 0 HG3 GLU A -2 47.890 9.751 32.871 1.00 0.00 H new ATOM 215 N GLY A -1 51.312 10.627 29.925 1.00 0.00 N ATOM 216 CA GLY A -1 52.604 9.987 29.809 1.00 0.00 C ATOM 217 C GLY A -1 52.606 8.839 28.813 1.00 0.00 C ATOM 218 O GLY A -1 53.555 8.680 28.049 1.00 0.00 O ATOM 0 H GLY A -1 51.206 11.482 29.379 1.00 0.00 H new ATOM 0 HA2 GLY A -1 53.345 10.727 29.505 1.00 0.00 H new ATOM 0 HA3 GLY A -1 52.909 9.614 30.787 1.00 0.00 H new ATOM 222 N ARG A 0 51.532 8.048 28.815 1.00 0.00 N ATOM 223 CA ARG A 0 51.421 6.891 27.928 1.00 0.00 C ATOM 224 C ARG A 0 51.355 7.341 26.491 1.00 0.00 C ATOM 225 O ARG A 0 51.945 6.726 25.608 1.00 0.00 O ATOM 226 CB ARG A 0 50.179 6.071 28.256 1.00 0.00 C ATOM 227 CG ARG A 0 49.967 5.836 29.734 1.00 0.00 C ATOM 228 CD ARG A 0 51.189 5.194 30.391 1.00 0.00 C ATOM 229 NE ARG A 0 50.909 4.733 31.758 1.00 0.00 N ATOM 230 CZ ARG A 0 50.812 5.529 32.834 1.00 0.00 C ATOM 231 NH1 ARG A 0 50.934 6.838 32.712 1.00 0.00 N ATOM 232 NH2 ARG A 0 50.590 5.003 34.029 1.00 0.00 N ATOM 0 H ARG A 0 50.725 8.189 29.423 1.00 0.00 H new ATOM 0 HA ARG A 0 52.304 6.269 28.076 1.00 0.00 H new ATOM 0 HB2 ARG A 0 49.304 6.579 27.851 1.00 0.00 H new ATOM 0 HB3 ARG A 0 50.250 5.107 27.752 1.00 0.00 H new ATOM 0 HG2 ARG A 0 49.748 6.784 30.224 1.00 0.00 H new ATOM 0 HG3 ARG A 0 49.098 5.194 29.878 1.00 0.00 H new ATOM 0 HD2 ARG A 0 51.523 4.351 29.787 1.00 0.00 H new ATOM 0 HD3 ARG A 0 52.007 5.914 30.413 1.00 0.00 H new ATOM 0 HE ARG A 0 50.778 3.731 31.900 1.00 0.00 H new ATOM 0 HH11 ARG A 0 51.103 7.251 31.795 1.00 0.00 H new ATOM 0 HH12 ARG A 0 50.859 7.436 33.535 1.00 0.00 H new ATOM 0 HH21 ARG A 0 50.493 3.993 34.132 1.00 0.00 H new ATOM 0 HH22 ARG A 0 50.516 5.608 34.847 1.00 0.00 H new ATOM 246 N MET A 1 50.630 8.411 26.260 1.00 0.00 N ATOM 247 CA MET A 1 50.527 8.973 24.940 1.00 0.00 C ATOM 248 C MET A 1 50.743 10.478 24.991 1.00 0.00 C ATOM 249 O MET A 1 50.142 11.177 25.809 1.00 0.00 O ATOM 250 CB MET A 1 49.185 8.618 24.273 1.00 0.00 C ATOM 251 CG MET A 1 47.959 8.961 25.095 1.00 0.00 C ATOM 252 SD MET A 1 46.419 8.678 24.195 1.00 0.00 S ATOM 253 CE MET A 1 46.513 6.913 23.891 1.00 0.00 C ATOM 0 H MET A 1 50.101 8.910 26.976 1.00 0.00 H new ATOM 0 HA MET A 1 51.311 8.534 24.323 1.00 0.00 H new ATOM 0 HB2 MET A 1 49.121 9.137 23.317 1.00 0.00 H new ATOM 0 HB3 MET A 1 49.174 7.550 24.057 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.958 8.363 26.006 1.00 0.00 H new ATOM 0 HG3 MET A 1 48.011 10.006 25.400 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.533 6.543 23.588 1.00 0.00 H new ATOM 0 HE2 MET A 1 47.235 6.718 23.098 1.00 0.00 H new ATOM 0 HE3 MET A 1 46.828 6.403 24.802 1.00 0.00 H new ATOM 263 N ASP A 2 51.627 10.970 24.143 1.00 0.00 N ATOM 264 CA ASP A 2 51.943 12.388 24.112 1.00 0.00 C ATOM 265 C ASP A 2 52.237 12.835 22.684 1.00 0.00 C ATOM 266 O ASP A 2 52.374 12.003 21.786 1.00 0.00 O ATOM 267 CB ASP A 2 53.140 12.682 25.030 1.00 0.00 C ATOM 268 CG ASP A 2 53.420 14.161 25.181 1.00 0.00 C ATOM 269 OD1 ASP A 2 52.455 14.949 25.258 1.00 0.00 O ATOM 270 OD2 ASP A 2 54.604 14.545 25.235 1.00 0.00 O ATOM 0 H ASP A 2 52.141 10.408 23.464 1.00 0.00 H new ATOM 0 HA ASP A 2 51.082 12.949 24.475 1.00 0.00 H new ATOM 0 HB2 ASP A 2 52.951 12.251 26.013 1.00 0.00 H new ATOM 0 HB3 ASP A 2 54.026 12.189 24.631 1.00 0.00 H new ATOM 275 N VAL A 3 52.324 14.143 22.477 1.00 0.00 N ATOM 276 CA VAL A 3 52.614 14.701 21.165 1.00 0.00 C ATOM 277 C VAL A 3 53.969 14.189 20.643 1.00 0.00 C ATOM 278 O VAL A 3 54.945 14.089 21.396 1.00 0.00 O ATOM 279 CB VAL A 3 52.597 16.259 21.197 1.00 0.00 C ATOM 280 CG1 VAL A 3 53.660 16.808 22.142 1.00 0.00 C ATOM 281 CG2 VAL A 3 52.760 16.838 19.798 1.00 0.00 C ATOM 0 H VAL A 3 52.196 14.842 23.209 1.00 0.00 H new ATOM 0 HA VAL A 3 51.831 14.369 20.483 1.00 0.00 H new ATOM 0 HB VAL A 3 51.624 16.569 21.578 1.00 0.00 H new ATOM 0 HG11 VAL A 3 53.621 17.897 22.140 1.00 0.00 H new ATOM 0 HG12 VAL A 3 53.475 16.440 23.151 1.00 0.00 H new ATOM 0 HG13 VAL A 3 54.645 16.480 21.811 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.744 17.927 19.851 1.00 0.00 H new ATOM 0 HG22 VAL A 3 53.710 16.509 19.376 1.00 0.00 H new ATOM 0 HG23 VAL A 3 51.943 16.494 19.164 1.00 0.00 H new ATOM 291 N GLY A 4 54.003 13.828 19.372 1.00 0.00 N ATOM 292 CA GLY A 4 55.217 13.310 18.781 1.00 0.00 C ATOM 293 C GLY A 4 55.237 11.798 18.771 1.00 0.00 C ATOM 294 O GLY A 4 55.963 11.180 17.991 1.00 0.00 O ATOM 0 H GLY A 4 53.208 13.885 18.736 1.00 0.00 H new ATOM 0 HA2 GLY A 4 55.311 13.681 17.761 1.00 0.00 H new ATOM 0 HA3 GLY A 4 56.078 13.681 19.336 1.00 0.00 H new ATOM 298 N GLN A 5 54.430 11.203 19.633 1.00 0.00 N ATOM 299 CA GLN A 5 54.348 9.758 19.732 1.00 0.00 C ATOM 300 C GLN A 5 53.477 9.185 18.639 1.00 0.00 C ATOM 301 O GLN A 5 52.691 9.900 18.014 1.00 0.00 O ATOM 302 CB GLN A 5 53.825 9.338 21.102 1.00 0.00 C ATOM 303 CG GLN A 5 54.843 9.489 22.210 1.00 0.00 C ATOM 304 CD GLN A 5 56.068 8.639 21.964 1.00 0.00 C ATOM 305 OE1 GLN A 5 57.043 9.087 21.360 1.00 0.00 O ATOM 306 NE2 GLN A 5 56.020 7.408 22.415 1.00 0.00 N ATOM 0 H GLN A 5 53.819 11.704 20.278 1.00 0.00 H new ATOM 0 HA GLN A 5 55.355 9.360 19.608 1.00 0.00 H new ATOM 0 HB2 GLN A 5 52.945 9.934 21.344 1.00 0.00 H new ATOM 0 HB3 GLN A 5 53.502 8.298 21.055 1.00 0.00 H new ATOM 0 HG2 GLN A 5 55.137 10.535 22.294 1.00 0.00 H new ATOM 0 HG3 GLN A 5 54.390 9.208 23.161 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.192 7.078 22.910 1.00 0.00 H new ATOM 0 HE22 GLN A 5 56.811 6.781 22.270 1.00 0.00 H new ATOM 315 N LYS A 6 53.614 7.901 18.412 1.00 0.00 N ATOM 316 CA LYS A 6 52.867 7.233 17.381 1.00 0.00 C ATOM 317 C LYS A 6 51.721 6.448 17.967 1.00 0.00 C ATOM 318 O LYS A 6 51.824 5.902 19.063 1.00 0.00 O ATOM 319 CB LYS A 6 53.780 6.310 16.586 1.00 0.00 C ATOM 320 CG LYS A 6 54.882 7.041 15.864 1.00 0.00 C ATOM 321 CD LYS A 6 55.724 6.099 15.038 1.00 0.00 C ATOM 322 CE LYS A 6 56.691 6.871 14.172 1.00 0.00 C ATOM 323 NZ LYS A 6 57.638 5.975 13.472 1.00 0.00 N ATOM 0 H LYS A 6 54.245 7.294 18.936 1.00 0.00 H new ATOM 0 HA LYS A 6 52.456 7.991 16.714 1.00 0.00 H new ATOM 0 HB2 LYS A 6 54.221 5.577 17.261 1.00 0.00 H new ATOM 0 HB3 LYS A 6 53.184 5.757 15.860 1.00 0.00 H new ATOM 0 HG2 LYS A 6 54.450 7.806 15.218 1.00 0.00 H new ATOM 0 HG3 LYS A 6 55.514 7.555 16.588 1.00 0.00 H new ATOM 0 HD2 LYS A 6 56.274 5.424 15.694 1.00 0.00 H new ATOM 0 HD3 LYS A 6 55.080 5.481 14.412 1.00 0.00 H new ATOM 0 HE2 LYS A 6 56.135 7.456 13.439 1.00 0.00 H new ATOM 0 HE3 LYS A 6 57.247 7.577 14.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 58.285 6.542 12.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 58.186 5.435 14.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 57.109 5.318 12.864 1.00 0.00 H new ATOM 337 N VAL A 7 50.630 6.411 17.244 1.00 0.00 N ATOM 338 CA VAL A 7 49.465 5.660 17.647 1.00 0.00 C ATOM 339 C VAL A 7 48.830 4.998 16.448 1.00 0.00 C ATOM 340 O VAL A 7 48.985 5.454 15.316 1.00 0.00 O ATOM 341 CB VAL A 7 48.407 6.525 18.374 1.00 0.00 C ATOM 342 CG1 VAL A 7 48.815 6.796 19.811 1.00 0.00 C ATOM 343 CG2 VAL A 7 48.180 7.824 17.633 1.00 0.00 C ATOM 0 H VAL A 7 50.523 6.902 16.356 1.00 0.00 H new ATOM 0 HA VAL A 7 49.814 4.908 18.355 1.00 0.00 H new ATOM 0 HB VAL A 7 47.471 5.967 18.389 1.00 0.00 H new ATOM 0 HG11 VAL A 7 48.053 7.406 20.297 1.00 0.00 H new ATOM 0 HG12 VAL A 7 48.918 5.851 20.344 1.00 0.00 H new ATOM 0 HG13 VAL A 7 49.767 7.326 19.825 1.00 0.00 H new ATOM 0 HG21 VAL A 7 47.433 8.418 18.160 1.00 0.00 H new ATOM 0 HG22 VAL A 7 49.115 8.381 17.580 1.00 0.00 H new ATOM 0 HG23 VAL A 7 47.828 7.610 16.624 1.00 0.00 H new ATOM 353 N ARG A 8 48.134 3.931 16.699 1.00 0.00 N ATOM 354 CA ARG A 8 47.481 3.173 15.664 1.00 0.00 C ATOM 355 C ARG A 8 46.036 2.941 16.040 1.00 0.00 C ATOM 356 O ARG A 8 45.747 2.532 17.160 1.00 0.00 O ATOM 357 CB ARG A 8 48.214 1.842 15.485 1.00 0.00 C ATOM 358 CG ARG A 8 47.513 0.828 14.602 1.00 0.00 C ATOM 359 CD ARG A 8 48.352 -0.431 14.473 1.00 0.00 C ATOM 360 NE ARG A 8 47.646 -1.501 13.779 1.00 0.00 N ATOM 361 CZ ARG A 8 48.225 -2.364 12.941 1.00 0.00 C ATOM 362 NH1 ARG A 8 49.530 -2.284 12.692 1.00 0.00 N ATOM 363 NH2 ARG A 8 47.500 -3.314 12.366 1.00 0.00 N ATOM 0 H ARG A 8 47.999 3.554 17.637 1.00 0.00 H new ATOM 0 HA ARG A 8 47.507 3.723 14.723 1.00 0.00 H new ATOM 0 HB2 ARG A 8 49.200 2.043 15.066 1.00 0.00 H new ATOM 0 HB3 ARG A 8 48.369 1.397 16.468 1.00 0.00 H new ATOM 0 HG2 ARG A 8 46.538 0.582 15.023 1.00 0.00 H new ATOM 0 HG3 ARG A 8 47.335 1.257 13.616 1.00 0.00 H new ATOM 0 HD2 ARG A 8 49.271 -0.198 13.936 1.00 0.00 H new ATOM 0 HD3 ARG A 8 48.641 -0.775 15.466 1.00 0.00 H new ATOM 0 HE ARG A 8 46.644 -1.597 13.944 1.00 0.00 H new ATOM 0 HH11 ARG A 8 50.092 -1.561 13.142 1.00 0.00 H new ATOM 0 HH12 ARG A 8 49.968 -2.945 12.051 1.00 0.00 H new ATOM 0 HH21 ARG A 8 46.502 -3.384 12.564 1.00 0.00 H new ATOM 0 HH22 ARG A 8 47.940 -3.974 11.725 1.00 0.00 H new ATOM 377 N VAL A 9 45.124 3.231 15.125 1.00 0.00 N ATOM 378 CA VAL A 9 43.710 3.008 15.379 1.00 0.00 C ATOM 379 C VAL A 9 43.469 1.523 15.560 1.00 0.00 C ATOM 380 O VAL A 9 43.558 0.745 14.608 1.00 0.00 O ATOM 381 CB VAL A 9 42.830 3.550 14.236 1.00 0.00 C ATOM 382 CG1 VAL A 9 41.359 3.434 14.594 1.00 0.00 C ATOM 383 CG2 VAL A 9 43.192 4.992 13.926 1.00 0.00 C ATOM 0 H VAL A 9 45.336 3.619 14.206 1.00 0.00 H new ATOM 0 HA VAL A 9 43.434 3.548 16.285 1.00 0.00 H new ATOM 0 HB VAL A 9 43.014 2.949 13.345 1.00 0.00 H new ATOM 0 HG11 VAL A 9 40.753 3.822 13.775 1.00 0.00 H new ATOM 0 HG12 VAL A 9 41.108 2.387 14.767 1.00 0.00 H new ATOM 0 HG13 VAL A 9 41.158 4.009 15.498 1.00 0.00 H new ATOM 0 HG21 VAL A 9 42.561 5.360 13.117 1.00 0.00 H new ATOM 0 HG22 VAL A 9 43.037 5.605 14.814 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.238 5.048 13.625 1.00 0.00 H new ATOM 393 N CYS A 10 43.184 1.139 16.784 1.00 0.00 N ATOM 394 CA CYS A 10 43.064 -0.253 17.135 1.00 0.00 C ATOM 395 C CYS A 10 41.646 -0.761 16.948 1.00 0.00 C ATOM 396 O CYS A 10 41.441 -1.849 16.410 1.00 0.00 O ATOM 397 CB CYS A 10 43.521 -0.464 18.581 1.00 0.00 C ATOM 398 SG CYS A 10 43.802 -2.190 19.035 1.00 0.00 S ATOM 0 H CYS A 10 43.030 1.783 17.560 1.00 0.00 H new ATOM 0 HA CYS A 10 43.705 -0.826 16.465 1.00 0.00 H new ATOM 0 HB2 CYS A 10 44.442 0.095 18.743 1.00 0.00 H new ATOM 0 HB3 CYS A 10 42.771 -0.043 19.251 1.00 0.00 H new ATOM 0 HG CYS A 10 44.991 -2.551 18.654 1.00 0.00 H new ATOM 404 N ARG A 11 40.667 0.021 17.373 1.00 0.00 N ATOM 405 CA ARG A 11 39.287 -0.420 17.296 1.00 0.00 C ATOM 406 C ARG A 11 38.319 0.752 17.247 1.00 0.00 C ATOM 407 O ARG A 11 38.346 1.622 18.103 1.00 0.00 O ATOM 408 CB ARG A 11 38.969 -1.307 18.502 1.00 0.00 C ATOM 409 CG ARG A 11 39.267 -0.649 19.844 1.00 0.00 C ATOM 410 CD ARG A 11 39.111 -1.632 20.985 1.00 0.00 C ATOM 411 NE ARG A 11 39.327 -1.009 22.288 1.00 0.00 N ATOM 412 CZ ARG A 11 39.688 -1.673 23.387 1.00 0.00 C ATOM 413 NH1 ARG A 11 39.926 -2.984 23.334 1.00 0.00 N ATOM 414 NH2 ARG A 11 39.814 -1.025 24.534 1.00 0.00 N ATOM 0 H ARG A 11 40.800 0.951 17.769 1.00 0.00 H new ATOM 0 HA ARG A 11 39.165 -0.985 16.372 1.00 0.00 H new ATOM 0 HB2 ARG A 11 37.915 -1.584 18.470 1.00 0.00 H new ATOM 0 HB3 ARG A 11 39.544 -2.230 18.424 1.00 0.00 H new ATOM 0 HG2 ARG A 11 40.282 -0.252 19.839 1.00 0.00 H new ATOM 0 HG3 ARG A 11 38.595 0.196 19.994 1.00 0.00 H new ATOM 0 HD2 ARG A 11 38.112 -2.066 20.954 1.00 0.00 H new ATOM 0 HD3 ARG A 11 39.818 -2.451 20.855 1.00 0.00 H new ATOM 0 HE ARG A 11 39.193 -0.001 22.362 1.00 0.00 H new ATOM 0 HH11 ARG A 11 39.832 -3.484 22.450 1.00 0.00 H new ATOM 0 HH12 ARG A 11 40.202 -3.487 24.178 1.00 0.00 H new ATOM 0 HH21 ARG A 11 39.635 -0.022 24.575 1.00 0.00 H new ATOM 0 HH22 ARG A 11 40.090 -1.529 25.377 1.00 0.00 H new ATOM 428 N ILE A 12 37.454 0.750 16.250 1.00 0.00 N ATOM 429 CA ILE A 12 36.444 1.783 16.117 1.00 0.00 C ATOM 430 C ILE A 12 35.182 1.357 16.839 1.00 0.00 C ATOM 431 O ILE A 12 34.617 0.294 16.556 1.00 0.00 O ATOM 432 CB ILE A 12 36.116 2.082 14.633 1.00 0.00 C ATOM 433 CG1 ILE A 12 37.351 2.637 13.919 1.00 0.00 C ATOM 434 CG2 ILE A 12 34.947 3.060 14.522 1.00 0.00 C ATOM 435 CD1 ILE A 12 37.817 3.978 14.444 1.00 0.00 C ATOM 0 H ILE A 12 37.431 0.041 15.517 1.00 0.00 H new ATOM 0 HA ILE A 12 36.841 2.695 16.562 1.00 0.00 H new ATOM 0 HB ILE A 12 35.824 1.149 14.150 1.00 0.00 H new ATOM 0 HG12 ILE A 12 38.166 1.919 14.013 1.00 0.00 H new ATOM 0 HG13 ILE A 12 37.131 2.732 12.856 1.00 0.00 H new ATOM 0 HG21 ILE A 12 34.735 3.255 13.471 1.00 0.00 H new ATOM 0 HG22 ILE A 12 34.065 2.629 14.996 1.00 0.00 H new ATOM 0 HG23 ILE A 12 35.206 3.995 15.019 1.00 0.00 H new ATOM 0 HD11 ILE A 12 38.696 4.302 13.886 1.00 0.00 H new ATOM 0 HD12 ILE A 12 37.020 4.712 14.324 1.00 0.00 H new ATOM 0 HD13 ILE A 12 38.071 3.887 15.500 1.00 0.00 H new ATOM 447 N ARG A 13 34.752 2.167 17.776 1.00 0.00 N ATOM 448 CA ARG A 13 33.576 1.843 18.570 1.00 0.00 C ATOM 449 C ARG A 13 32.381 2.677 18.137 1.00 0.00 C ATOM 450 O ARG A 13 31.256 2.432 18.568 1.00 0.00 O ATOM 451 CB ARG A 13 33.858 2.084 20.049 1.00 0.00 C ATOM 452 CG ARG A 13 35.215 1.579 20.510 1.00 0.00 C ATOM 453 CD ARG A 13 35.970 2.680 21.227 1.00 0.00 C ATOM 454 NE ARG A 13 36.021 3.902 20.422 1.00 0.00 N ATOM 455 CZ ARG A 13 35.439 5.058 20.756 1.00 0.00 C ATOM 456 NH1 ARG A 13 34.768 5.172 21.904 1.00 0.00 N ATOM 457 NH2 ARG A 13 35.524 6.097 19.936 1.00 0.00 N ATOM 0 H ARG A 13 35.193 3.056 18.012 1.00 0.00 H new ATOM 0 HA ARG A 13 33.342 0.790 18.412 1.00 0.00 H new ATOM 0 HB2 ARG A 13 33.792 3.153 20.251 1.00 0.00 H new ATOM 0 HB3 ARG A 13 33.081 1.599 20.640 1.00 0.00 H new ATOM 0 HG2 ARG A 13 35.086 0.725 21.175 1.00 0.00 H new ATOM 0 HG3 ARG A 13 35.792 1.232 19.653 1.00 0.00 H new ATOM 0 HD2 ARG A 13 35.489 2.891 22.182 1.00 0.00 H new ATOM 0 HD3 ARG A 13 36.983 2.345 21.448 1.00 0.00 H new ATOM 0 HE ARG A 13 36.538 3.869 19.543 1.00 0.00 H new ATOM 0 HH11 ARG A 13 34.696 4.373 22.534 1.00 0.00 H new ATOM 0 HH12 ARG A 13 34.327 6.058 22.151 1.00 0.00 H new ATOM 0 HH21 ARG A 13 36.032 6.012 19.055 1.00 0.00 H new ATOM 0 HH22 ARG A 13 35.082 6.981 20.186 1.00 0.00 H new ATOM 471 N ASP A 14 32.624 3.663 17.290 1.00 0.00 N ATOM 472 CA ASP A 14 31.555 4.540 16.832 1.00 0.00 C ATOM 473 C ASP A 14 31.093 4.175 15.421 1.00 0.00 C ATOM 474 O ASP A 14 30.171 3.374 15.250 1.00 0.00 O ATOM 475 CB ASP A 14 31.986 6.010 16.900 1.00 0.00 C ATOM 476 CG ASP A 14 30.894 6.956 16.438 1.00 0.00 C ATOM 477 OD1 ASP A 14 29.879 7.099 17.154 1.00 0.00 O ATOM 478 OD2 ASP A 14 31.044 7.554 15.361 1.00 0.00 O ATOM 0 H ASP A 14 33.545 3.877 16.907 1.00 0.00 H new ATOM 0 HA ASP A 14 30.707 4.400 17.503 1.00 0.00 H new ATOM 0 HB2 ASP A 14 32.267 6.256 17.924 1.00 0.00 H new ATOM 0 HB3 ASP A 14 32.873 6.154 16.283 1.00 0.00 H new ATOM 483 N ARG A 15 31.744 4.740 14.415 1.00 0.00 N ATOM 484 CA ARG A 15 31.382 4.485 13.032 1.00 0.00 C ATOM 485 C ARG A 15 32.583 4.698 12.124 1.00 0.00 C ATOM 486 O ARG A 15 33.341 5.649 12.302 1.00 0.00 O ATOM 487 CB ARG A 15 30.242 5.422 12.605 1.00 0.00 C ATOM 488 CG ARG A 15 29.728 5.178 11.193 1.00 0.00 C ATOM 489 CD ARG A 15 29.010 3.843 11.089 1.00 0.00 C ATOM 490 NE ARG A 15 28.513 3.586 9.738 1.00 0.00 N ATOM 491 CZ ARG A 15 27.651 2.615 9.427 1.00 0.00 C ATOM 492 NH1 ARG A 15 27.198 1.794 10.370 1.00 0.00 N ATOM 493 NH2 ARG A 15 27.244 2.468 8.171 1.00 0.00 N ATOM 0 H ARG A 15 32.529 5.381 14.533 1.00 0.00 H new ATOM 0 HA ARG A 15 31.050 3.450 12.946 1.00 0.00 H new ATOM 0 HB2 ARG A 15 29.414 5.311 13.305 1.00 0.00 H new ATOM 0 HB3 ARG A 15 30.587 6.453 12.681 1.00 0.00 H new ATOM 0 HG2 ARG A 15 29.049 5.981 10.907 1.00 0.00 H new ATOM 0 HG3 ARG A 15 30.562 5.200 10.491 1.00 0.00 H new ATOM 0 HD2 ARG A 15 29.690 3.043 11.382 1.00 0.00 H new ATOM 0 HD3 ARG A 15 28.176 3.826 11.790 1.00 0.00 H new ATOM 0 HE ARG A 15 28.846 4.187 8.985 1.00 0.00 H new ATOM 0 HH11 ARG A 15 27.509 1.905 11.335 1.00 0.00 H new ATOM 0 HH12 ARG A 15 26.540 1.053 10.128 1.00 0.00 H new ATOM 0 HH21 ARG A 15 27.590 3.096 7.446 1.00 0.00 H new ATOM 0 HH22 ARG A 15 26.586 1.727 7.932 1.00 0.00 H new ATOM 507 N VAL A 16 32.765 3.810 11.165 1.00 0.00 N ATOM 508 CA VAL A 16 33.851 3.956 10.218 1.00 0.00 C ATOM 509 C VAL A 16 33.390 4.682 8.960 1.00 0.00 C ATOM 510 O VAL A 16 32.523 4.208 8.232 1.00 0.00 O ATOM 511 CB VAL A 16 34.489 2.589 9.823 1.00 0.00 C ATOM 512 CG1 VAL A 16 35.259 2.000 10.985 1.00 0.00 C ATOM 513 CG2 VAL A 16 33.435 1.603 9.337 1.00 0.00 C ATOM 0 H VAL A 16 32.180 2.987 11.023 1.00 0.00 H new ATOM 0 HA VAL A 16 34.614 4.550 10.722 1.00 0.00 H new ATOM 0 HB VAL A 16 35.182 2.776 9.002 1.00 0.00 H new ATOM 0 HG11 VAL A 16 35.695 1.047 10.687 1.00 0.00 H new ATOM 0 HG12 VAL A 16 36.053 2.686 11.280 1.00 0.00 H new ATOM 0 HG13 VAL A 16 34.584 1.843 11.826 1.00 0.00 H new ATOM 0 HG21 VAL A 16 33.914 0.661 9.070 1.00 0.00 H new ATOM 0 HG22 VAL A 16 32.707 1.428 10.129 1.00 0.00 H new ATOM 0 HG23 VAL A 16 32.929 2.013 8.463 1.00 0.00 H new ATOM 523 N ALA A 17 33.948 5.849 8.729 1.00 0.00 N ATOM 524 CA ALA A 17 33.670 6.585 7.517 1.00 0.00 C ATOM 525 C ALA A 17 34.581 6.086 6.415 1.00 0.00 C ATOM 526 O ALA A 17 35.506 5.311 6.682 1.00 0.00 O ATOM 527 CB ALA A 17 33.837 8.084 7.729 1.00 0.00 C ATOM 0 H ALA A 17 34.598 6.309 9.366 1.00 0.00 H new ATOM 0 HA ALA A 17 32.632 6.418 7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 17 33.621 8.609 6.799 1.00 0.00 H new ATOM 0 HB2 ALA A 17 33.149 8.421 8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 17 34.861 8.296 8.036 1.00 0.00 H new ATOM 533 N GLN A 18 34.327 6.513 5.191 1.00 0.00 N ATOM 534 CA GLN A 18 35.121 6.085 4.037 1.00 0.00 C ATOM 535 C GLN A 18 36.629 6.298 4.259 1.00 0.00 C ATOM 536 O GLN A 18 37.446 5.526 3.772 1.00 0.00 O ATOM 537 CB GLN A 18 34.652 6.806 2.775 1.00 0.00 C ATOM 538 CG GLN A 18 34.672 8.320 2.883 1.00 0.00 C ATOM 539 CD GLN A 18 34.078 8.994 1.667 1.00 0.00 C ATOM 540 OE1 GLN A 18 33.189 8.449 1.011 1.00 0.00 O ATOM 541 NE2 GLN A 18 34.561 10.174 1.357 1.00 0.00 N ATOM 0 H GLN A 18 33.573 7.161 4.962 1.00 0.00 H new ATOM 0 HA GLN A 18 34.966 5.013 3.911 1.00 0.00 H new ATOM 0 HB2 GLN A 18 35.284 6.504 1.940 1.00 0.00 H new ATOM 0 HB3 GLN A 18 33.638 6.482 2.540 1.00 0.00 H new ATOM 0 HG2 GLN A 18 34.118 8.625 3.771 1.00 0.00 H new ATOM 0 HG3 GLN A 18 35.700 8.658 3.016 1.00 0.00 H new ATOM 0 HE21 GLN A 18 35.297 10.590 1.927 1.00 0.00 H new ATOM 0 HE22 GLN A 18 34.200 10.676 0.546 1.00 0.00 H new ATOM 550 N ASP A 19 36.988 7.341 4.989 1.00 0.00 N ATOM 551 CA ASP A 19 38.391 7.599 5.292 1.00 0.00 C ATOM 552 C ASP A 19 38.818 6.863 6.559 1.00 0.00 C ATOM 553 O ASP A 19 39.934 6.357 6.648 1.00 0.00 O ATOM 554 CB ASP A 19 38.652 9.098 5.447 1.00 0.00 C ATOM 555 CG ASP A 19 38.074 9.668 6.721 1.00 0.00 C ATOM 556 OD1 ASP A 19 36.832 9.811 6.804 1.00 0.00 O ATOM 557 OD2 ASP A 19 38.853 9.960 7.652 1.00 0.00 O ATOM 0 H ASP A 19 36.335 8.020 5.381 1.00 0.00 H new ATOM 0 HA ASP A 19 38.983 7.228 4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 19 39.727 9.278 5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 19 38.227 9.626 4.593 1.00 0.00 H new ATOM 562 N ILE A 20 37.907 6.786 7.529 1.00 0.00 N ATOM 563 CA ILE A 20 38.193 6.159 8.817 1.00 0.00 C ATOM 564 C ILE A 20 38.479 4.683 8.662 1.00 0.00 C ATOM 565 O ILE A 20 39.339 4.136 9.353 1.00 0.00 O ATOM 566 CB ILE A 20 37.029 6.339 9.811 1.00 0.00 C ATOM 567 CG1 ILE A 20 36.689 7.813 9.956 1.00 0.00 C ATOM 568 CG2 ILE A 20 37.386 5.740 11.158 1.00 0.00 C ATOM 569 CD1 ILE A 20 35.565 8.100 10.933 1.00 0.00 C ATOM 0 H ILE A 20 36.959 7.153 7.445 1.00 0.00 H new ATOM 0 HA ILE A 20 39.078 6.659 9.211 1.00 0.00 H new ATOM 0 HB ILE A 20 36.154 5.816 9.425 1.00 0.00 H new ATOM 0 HG12 ILE A 20 37.581 8.350 10.278 1.00 0.00 H new ATOM 0 HG13 ILE A 20 36.415 8.209 8.978 1.00 0.00 H new ATOM 0 HG21 ILE A 20 36.554 5.875 11.849 1.00 0.00 H new ATOM 0 HG22 ILE A 20 37.590 4.676 11.040 1.00 0.00 H new ATOM 0 HG23 ILE A 20 38.271 6.238 11.554 1.00 0.00 H new ATOM 0 HD11 ILE A 20 35.386 9.174 10.977 1.00 0.00 H new ATOM 0 HD12 ILE A 20 34.658 7.594 10.602 1.00 0.00 H new ATOM 0 HD13 ILE A 20 35.842 7.738 11.923 1.00 0.00 H new ATOM 581 N ILE A 21 37.771 4.038 7.747 1.00 0.00 N ATOM 582 CA ILE A 21 37.966 2.620 7.515 1.00 0.00 C ATOM 583 C ILE A 21 39.419 2.339 7.117 1.00 0.00 C ATOM 584 O ILE A 21 39.974 1.293 7.438 1.00 0.00 O ATOM 585 CB ILE A 21 37.006 2.061 6.424 1.00 0.00 C ATOM 586 CG1 ILE A 21 37.213 0.556 6.245 1.00 0.00 C ATOM 587 CG2 ILE A 21 37.200 2.780 5.100 1.00 0.00 C ATOM 588 CD1 ILE A 21 36.726 -0.273 7.415 1.00 0.00 C ATOM 0 H ILE A 21 37.061 4.473 7.158 1.00 0.00 H new ATOM 0 HA ILE A 21 37.736 2.111 8.451 1.00 0.00 H new ATOM 0 HB ILE A 21 35.984 2.237 6.759 1.00 0.00 H new ATOM 0 HG12 ILE A 21 36.695 0.233 5.342 1.00 0.00 H new ATOM 0 HG13 ILE A 21 38.274 0.361 6.091 1.00 0.00 H new ATOM 0 HG21 ILE A 21 36.516 2.368 4.358 1.00 0.00 H new ATOM 0 HG22 ILE A 21 36.997 3.843 5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 21 38.227 2.646 4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 21 36.907 -1.329 7.213 1.00 0.00 H new ATOM 0 HD12 ILE A 21 37.262 0.021 8.317 1.00 0.00 H new ATOM 0 HD13 ILE A 21 35.658 -0.109 7.558 1.00 0.00 H new ATOM 600 N GLN A 22 40.029 3.301 6.444 1.00 0.00 N ATOM 601 CA GLN A 22 41.400 3.181 6.006 1.00 0.00 C ATOM 602 C GLN A 22 42.345 3.391 7.178 1.00 0.00 C ATOM 603 O GLN A 22 43.416 2.798 7.244 1.00 0.00 O ATOM 604 CB GLN A 22 41.701 4.222 4.939 1.00 0.00 C ATOM 605 CG GLN A 22 43.035 4.019 4.260 1.00 0.00 C ATOM 606 CD GLN A 22 43.547 5.278 3.602 1.00 0.00 C ATOM 607 OE1 GLN A 22 42.770 6.125 3.164 1.00 0.00 O ATOM 608 NE2 GLN A 22 44.855 5.419 3.546 1.00 0.00 N ATOM 0 H GLN A 22 39.585 4.183 6.189 1.00 0.00 H new ATOM 0 HA GLN A 22 41.543 2.182 5.595 1.00 0.00 H new ATOM 0 HB2 GLN A 22 40.912 4.199 4.187 1.00 0.00 H new ATOM 0 HB3 GLN A 22 41.680 5.213 5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 22 43.764 3.674 4.994 1.00 0.00 H new ATOM 0 HG3 GLN A 22 42.942 3.233 3.510 1.00 0.00 H new ATOM 0 HE21 GLN A 22 45.463 4.691 3.922 1.00 0.00 H new ATOM 0 HE22 GLN A 22 45.260 6.256 3.127 1.00 0.00 H new ATOM 617 N LYS A 23 41.919 4.223 8.114 1.00 0.00 N ATOM 618 CA LYS A 23 42.739 4.582 9.260 1.00 0.00 C ATOM 619 C LYS A 23 42.776 3.447 10.280 1.00 0.00 C ATOM 620 O LYS A 23 43.670 3.388 11.121 1.00 0.00 O ATOM 621 CB LYS A 23 42.196 5.858 9.912 1.00 0.00 C ATOM 622 CG LYS A 23 41.938 7.003 8.933 1.00 0.00 C ATOM 623 CD LYS A 23 43.049 8.025 8.924 1.00 0.00 C ATOM 624 CE LYS A 23 44.209 7.573 8.069 1.00 0.00 C ATOM 625 NZ LYS A 23 43.841 7.481 6.630 1.00 0.00 N ATOM 0 H LYS A 23 41.001 4.667 8.102 1.00 0.00 H new ATOM 0 HA LYS A 23 43.756 4.761 8.912 1.00 0.00 H new ATOM 0 HB2 LYS A 23 41.266 5.621 10.429 1.00 0.00 H new ATOM 0 HB3 LYS A 23 42.904 6.195 10.669 1.00 0.00 H new ATOM 0 HG2 LYS A 23 41.816 6.596 7.929 1.00 0.00 H new ATOM 0 HG3 LYS A 23 41.001 7.494 9.194 1.00 0.00 H new ATOM 0 HD2 LYS A 23 42.668 8.975 8.550 1.00 0.00 H new ATOM 0 HD3 LYS A 23 43.393 8.199 9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 23 45.039 8.270 8.187 1.00 0.00 H new ATOM 0 HE3 LYS A 23 44.558 6.601 8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 44.582 7.928 6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 43.747 6.481 6.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 42.936 7.969 6.471 1.00 0.00 H new ATOM 639 N LEU A 24 41.806 2.545 10.197 1.00 0.00 N ATOM 640 CA LEU A 24 41.763 1.399 11.090 1.00 0.00 C ATOM 641 C LEU A 24 42.942 0.482 10.784 1.00 0.00 C ATOM 642 O LEU A 24 43.072 -0.037 9.669 1.00 0.00 O ATOM 643 CB LEU A 24 40.419 0.646 10.941 1.00 0.00 C ATOM 644 CG LEU A 24 40.055 -0.366 12.060 1.00 0.00 C ATOM 645 CD1 LEU A 24 40.870 -1.646 11.939 1.00 0.00 C ATOM 646 CD2 LEU A 24 40.255 0.258 13.438 1.00 0.00 C ATOM 0 H LEU A 24 41.042 2.586 9.522 1.00 0.00 H new ATOM 0 HA LEU A 24 41.837 1.739 12.123 1.00 0.00 H new ATOM 0 HB2 LEU A 24 39.621 1.385 10.879 1.00 0.00 H new ATOM 0 HB3 LEU A 24 40.433 0.111 9.991 1.00 0.00 H new ATOM 0 HG LEU A 24 39.003 -0.623 11.940 1.00 0.00 H new ATOM 0 HD11 LEU A 24 40.590 -2.333 12.738 1.00 0.00 H new ATOM 0 HD12 LEU A 24 40.673 -2.113 10.974 1.00 0.00 H new ATOM 0 HD13 LEU A 24 41.931 -1.410 12.018 1.00 0.00 H new ATOM 0 HD21 LEU A 24 39.994 -0.468 14.208 1.00 0.00 H new ATOM 0 HD22 LEU A 24 41.298 0.553 13.556 1.00 0.00 H new ATOM 0 HD23 LEU A 24 39.616 1.136 13.536 1.00 0.00 H new ATOM 658 N GLY A 25 43.811 0.304 11.766 1.00 0.00 N ATOM 659 CA GLY A 25 44.990 -0.508 11.571 1.00 0.00 C ATOM 660 C GLY A 25 46.141 0.295 11.000 1.00 0.00 C ATOM 661 O GLY A 25 47.215 -0.241 10.735 1.00 0.00 O ATOM 0 H GLY A 25 43.719 0.709 12.697 1.00 0.00 H new ATOM 0 HA2 GLY A 25 45.290 -0.947 12.523 1.00 0.00 H new ATOM 0 HA3 GLY A 25 44.755 -1.334 10.899 1.00 0.00 H new ATOM 665 N GLN A 26 45.913 1.581 10.809 1.00 0.00 N ATOM 666 CA GLN A 26 46.924 2.464 10.269 1.00 0.00 C ATOM 667 C GLN A 26 47.639 3.185 11.408 1.00 0.00 C ATOM 668 O GLN A 26 47.044 3.443 12.460 1.00 0.00 O ATOM 669 CB GLN A 26 46.274 3.469 9.317 1.00 0.00 C ATOM 670 CG GLN A 26 47.239 4.153 8.370 1.00 0.00 C ATOM 671 CD GLN A 26 46.533 5.092 7.412 1.00 0.00 C ATOM 672 OE1 GLN A 26 45.373 4.889 7.061 1.00 0.00 O ATOM 673 NE2 GLN A 26 47.219 6.117 6.985 1.00 0.00 N ATOM 0 H GLN A 26 45.027 2.039 11.023 1.00 0.00 H new ATOM 0 HA GLN A 26 47.658 1.882 9.712 1.00 0.00 H new ATOM 0 HB2 GLN A 26 45.513 2.955 8.731 1.00 0.00 H new ATOM 0 HB3 GLN A 26 45.762 4.230 9.906 1.00 0.00 H new ATOM 0 HG2 GLN A 26 47.976 4.712 8.946 1.00 0.00 H new ATOM 0 HG3 GLN A 26 47.784 3.399 7.802 1.00 0.00 H new ATOM 0 HE21 GLN A 26 48.180 6.254 7.298 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.794 6.781 6.338 1.00 0.00 H new ATOM 682 N VAL A 27 48.906 3.496 11.206 1.00 0.00 N ATOM 683 CA VAL A 27 49.702 4.162 12.227 1.00 0.00 C ATOM 684 C VAL A 27 49.870 5.644 11.892 1.00 0.00 C ATOM 685 O VAL A 27 50.014 6.012 10.724 1.00 0.00 O ATOM 686 CB VAL A 27 51.102 3.503 12.364 1.00 0.00 C ATOM 687 CG1 VAL A 27 51.889 4.114 13.518 1.00 0.00 C ATOM 688 CG2 VAL A 27 50.969 1.996 12.545 1.00 0.00 C ATOM 0 H VAL A 27 49.410 3.298 10.342 1.00 0.00 H new ATOM 0 HA VAL A 27 49.173 4.062 13.175 1.00 0.00 H new ATOM 0 HB VAL A 27 51.654 3.695 11.444 1.00 0.00 H new ATOM 0 HG11 VAL A 27 52.864 3.632 13.589 1.00 0.00 H new ATOM 0 HG12 VAL A 27 52.023 5.181 13.342 1.00 0.00 H new ATOM 0 HG13 VAL A 27 51.343 3.966 14.450 1.00 0.00 H new ATOM 0 HG21 VAL A 27 51.960 1.552 12.639 1.00 0.00 H new ATOM 0 HG22 VAL A 27 50.391 1.787 13.445 1.00 0.00 H new ATOM 0 HG23 VAL A 27 50.461 1.569 11.680 1.00 0.00 H new ATOM 698 N GLY A 28 49.829 6.484 12.908 1.00 0.00 N ATOM 699 CA GLY A 28 49.998 7.901 12.708 1.00 0.00 C ATOM 700 C GLY A 28 50.753 8.547 13.849 1.00 0.00 C ATOM 701 O GLY A 28 51.136 7.870 14.807 1.00 0.00 O ATOM 0 H GLY A 28 49.680 6.205 13.878 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.533 8.074 11.775 1.00 0.00 H new ATOM 0 HA3 GLY A 28 49.020 8.372 12.607 1.00 0.00 H new ATOM 705 N GLN A 29 50.953 9.847 13.758 1.00 0.00 N ATOM 706 CA GLN A 29 51.687 10.590 14.770 1.00 0.00 C ATOM 707 C GLN A 29 50.754 11.534 15.532 1.00 0.00 C ATOM 708 O GLN A 29 49.956 12.253 14.927 1.00 0.00 O ATOM 709 CB GLN A 29 52.811 11.389 14.103 1.00 0.00 C ATOM 710 CG GLN A 29 53.676 12.189 15.064 1.00 0.00 C ATOM 711 CD GLN A 29 54.687 13.057 14.341 1.00 0.00 C ATOM 712 OE1 GLN A 29 54.446 13.514 13.223 1.00 0.00 O ATOM 713 NE2 GLN A 29 55.824 13.287 14.963 1.00 0.00 N ATOM 0 H GLN A 29 50.614 10.419 12.984 1.00 0.00 H new ATOM 0 HA GLN A 29 52.115 9.884 15.482 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.449 10.700 13.548 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.371 12.072 13.376 1.00 0.00 H new ATOM 0 HG2 GLN A 29 53.039 12.818 15.685 1.00 0.00 H new ATOM 0 HG3 GLN A 29 54.199 11.506 15.733 1.00 0.00 H new ATOM 0 HE21 GLN A 29 55.988 12.891 15.889 1.00 0.00 H new ATOM 0 HE22 GLN A 29 56.541 13.861 14.519 1.00 0.00 H new ATOM 722 N ILE A 30 50.850 11.519 16.855 1.00 0.00 N ATOM 723 CA ILE A 30 50.044 12.400 17.691 1.00 0.00 C ATOM 724 C ILE A 30 50.542 13.831 17.573 1.00 0.00 C ATOM 725 O ILE A 30 51.682 14.126 17.932 1.00 0.00 O ATOM 726 CB ILE A 30 50.105 11.994 19.184 1.00 0.00 C ATOM 727 CG1 ILE A 30 49.658 10.546 19.376 1.00 0.00 C ATOM 728 CG2 ILE A 30 49.246 12.934 20.031 1.00 0.00 C ATOM 729 CD1 ILE A 30 49.738 10.072 20.812 1.00 0.00 C ATOM 0 H ILE A 30 51.479 10.906 17.373 1.00 0.00 H new ATOM 0 HA ILE A 30 49.015 12.316 17.341 1.00 0.00 H new ATOM 0 HB ILE A 30 51.141 12.076 19.514 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.632 10.442 19.024 1.00 0.00 H new ATOM 0 HG13 ILE A 30 50.275 9.898 18.753 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.301 12.633 21.077 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.613 13.955 19.927 1.00 0.00 H new ATOM 0 HG23 ILE A 30 48.211 12.884 19.693 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.405 9.036 20.872 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.768 10.143 21.162 1.00 0.00 H new ATOM 0 HD13 ILE A 30 49.098 10.695 21.437 1.00 0.00 H new ATOM 741 N THR A 31 49.706 14.712 17.071 1.00 0.00 N ATOM 742 CA THR A 31 50.077 16.103 16.954 1.00 0.00 C ATOM 743 C THR A 31 49.403 16.946 18.028 1.00 0.00 C ATOM 744 O THR A 31 49.626 18.149 18.120 1.00 0.00 O ATOM 745 CB THR A 31 49.760 16.664 15.566 1.00 0.00 C ATOM 746 OG1 THR A 31 48.415 16.325 15.186 1.00 0.00 O ATOM 747 CG2 THR A 31 50.745 16.127 14.536 1.00 0.00 C ATOM 0 H THR A 31 48.768 14.490 16.738 1.00 0.00 H new ATOM 0 HA THR A 31 51.156 16.154 17.098 1.00 0.00 H new ATOM 0 HB THR A 31 49.852 17.749 15.604 1.00 0.00 H new ATOM 0 HG1 THR A 31 48.416 15.950 14.281 1.00 0.00 H new ATOM 0 HG21 THR A 31 50.505 16.536 13.555 1.00 0.00 H new ATOM 0 HG22 THR A 31 51.758 16.420 14.813 1.00 0.00 H new ATOM 0 HG23 THR A 31 50.679 15.040 14.502 1.00 0.00 H new ATOM 755 N GLY A 32 48.580 16.306 18.840 1.00 0.00 N ATOM 756 CA GLY A 32 47.916 17.006 19.910 1.00 0.00 C ATOM 757 C GLY A 32 46.691 16.277 20.395 1.00 0.00 C ATOM 758 O GLY A 32 46.267 15.290 19.789 1.00 0.00 O ATOM 0 H GLY A 32 48.361 15.312 18.775 1.00 0.00 H new ATOM 0 HA2 GLY A 32 48.610 17.139 20.740 1.00 0.00 H new ATOM 0 HA3 GLY A 32 47.633 18.002 19.569 1.00 0.00 H new ATOM 762 N PHE A 33 46.127 16.747 21.487 1.00 0.00 N ATOM 763 CA PHE A 33 44.930 16.154 22.044 1.00 0.00 C ATOM 764 C PHE A 33 43.744 17.075 21.843 1.00 0.00 C ATOM 765 O PHE A 33 43.867 18.297 21.941 1.00 0.00 O ATOM 766 CB PHE A 33 45.115 15.842 23.527 1.00 0.00 C ATOM 767 CG PHE A 33 46.066 14.712 23.792 1.00 0.00 C ATOM 768 CD1 PHE A 33 47.427 14.946 23.919 1.00 0.00 C ATOM 769 CD2 PHE A 33 45.598 13.416 23.916 1.00 0.00 C ATOM 770 CE1 PHE A 33 48.299 13.905 24.167 1.00 0.00 C ATOM 771 CE2 PHE A 33 46.466 12.372 24.164 1.00 0.00 C ATOM 772 CZ PHE A 33 47.817 12.616 24.288 1.00 0.00 C ATOM 0 H PHE A 33 46.483 17.546 22.011 1.00 0.00 H new ATOM 0 HA PHE A 33 44.739 15.217 21.521 1.00 0.00 H new ATOM 0 HB2 PHE A 33 45.477 16.736 24.035 1.00 0.00 H new ATOM 0 HB3 PHE A 33 44.145 15.599 23.962 1.00 0.00 H new ATOM 0 HD1 PHE A 33 47.808 15.952 23.823 1.00 0.00 H new ATOM 0 HD2 PHE A 33 44.541 13.219 23.818 1.00 0.00 H new ATOM 0 HE1 PHE A 33 49.357 14.098 24.266 1.00 0.00 H new ATOM 0 HE2 PHE A 33 46.087 11.365 24.261 1.00 0.00 H new ATOM 0 HZ PHE A 33 48.498 11.800 24.480 1.00 0.00 H new ATOM 782 N LYS A 34 42.603 16.490 21.582 1.00 0.00 N ATOM 783 CA LYS A 34 41.402 17.242 21.317 1.00 0.00 C ATOM 784 C LYS A 34 40.356 16.945 22.375 1.00 0.00 C ATOM 785 O LYS A 34 40.142 15.787 22.732 1.00 0.00 O ATOM 786 CB LYS A 34 40.854 16.863 19.941 1.00 0.00 C ATOM 787 CG LYS A 34 39.802 17.810 19.415 1.00 0.00 C ATOM 788 CD LYS A 34 39.188 17.303 18.126 1.00 0.00 C ATOM 789 CE LYS A 34 38.159 18.282 17.596 1.00 0.00 C ATOM 790 NZ LYS A 34 37.531 17.810 16.338 1.00 0.00 N ATOM 0 H LYS A 34 42.480 15.478 21.547 1.00 0.00 H new ATOM 0 HA LYS A 34 41.639 18.306 21.338 1.00 0.00 H new ATOM 0 HB2 LYS A 34 41.680 16.824 19.231 1.00 0.00 H new ATOM 0 HB3 LYS A 34 40.431 15.860 19.994 1.00 0.00 H new ATOM 0 HG2 LYS A 34 39.021 17.939 20.164 1.00 0.00 H new ATOM 0 HG3 LYS A 34 40.247 18.791 19.246 1.00 0.00 H new ATOM 0 HD2 LYS A 34 39.969 17.151 17.381 1.00 0.00 H new ATOM 0 HD3 LYS A 34 38.719 16.334 18.298 1.00 0.00 H new ATOM 0 HE2 LYS A 34 37.387 18.438 18.349 1.00 0.00 H new ATOM 0 HE3 LYS A 34 38.634 19.247 17.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 37.785 18.453 15.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 37.870 16.852 16.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 36.497 17.794 16.451 1.00 0.00 H new ATOM 804 N MET A 35 39.713 17.978 22.884 1.00 0.00 N ATOM 805 CA MET A 35 38.661 17.780 23.855 1.00 0.00 C ATOM 806 C MET A 35 37.378 17.405 23.134 1.00 0.00 C ATOM 807 O MET A 35 36.849 18.176 22.333 1.00 0.00 O ATOM 808 CB MET A 35 38.457 19.024 24.745 1.00 0.00 C ATOM 809 CG MET A 35 38.063 20.288 24.000 1.00 0.00 C ATOM 810 SD MET A 35 37.760 21.682 25.103 1.00 0.00 S ATOM 811 CE MET A 35 37.253 22.933 23.924 1.00 0.00 C ATOM 0 H MET A 35 39.899 18.952 22.643 1.00 0.00 H new ATOM 0 HA MET A 35 38.952 16.967 24.520 1.00 0.00 H new ATOM 0 HB2 MET A 35 37.688 18.801 25.484 1.00 0.00 H new ATOM 0 HB3 MET A 35 39.380 19.216 25.293 1.00 0.00 H new ATOM 0 HG2 MET A 35 38.853 20.552 23.297 1.00 0.00 H new ATOM 0 HG3 MET A 35 37.166 20.093 23.412 1.00 0.00 H new ATOM 0 HE1 MET A 35 37.029 23.860 24.451 1.00 0.00 H new ATOM 0 HE2 MET A 35 38.058 23.107 23.210 1.00 0.00 H new ATOM 0 HE3 MET A 35 36.364 22.594 23.393 1.00 0.00 H new ATOM 821 N THR A 36 36.904 16.218 23.387 1.00 0.00 N ATOM 822 CA THR A 36 35.728 15.720 22.726 1.00 0.00 C ATOM 823 C THR A 36 34.479 16.021 23.533 1.00 0.00 C ATOM 824 O THR A 36 34.559 16.371 24.719 1.00 0.00 O ATOM 825 CB THR A 36 35.840 14.208 22.503 1.00 0.00 C ATOM 826 OG1 THR A 36 36.217 13.573 23.732 1.00 0.00 O ATOM 827 CG2 THR A 36 36.878 13.904 21.436 1.00 0.00 C ATOM 0 H THR A 36 37.319 15.569 24.055 1.00 0.00 H new ATOM 0 HA THR A 36 35.651 16.223 21.762 1.00 0.00 H new ATOM 0 HB THR A 36 34.874 13.828 22.171 1.00 0.00 H new ATOM 0 HG1 THR A 36 35.414 13.258 24.197 1.00 0.00 H new ATOM 0 HG21 THR A 36 36.945 12.826 21.290 1.00 0.00 H new ATOM 0 HG22 THR A 36 36.587 14.380 20.499 1.00 0.00 H new ATOM 0 HG23 THR A 36 37.848 14.288 21.752 1.00 0.00 H new ATOM 835 N ASP A 37 33.336 15.893 22.897 1.00 0.00 N ATOM 836 CA ASP A 37 32.071 16.125 23.558 1.00 0.00 C ATOM 837 C ASP A 37 31.621 14.859 24.257 1.00 0.00 C ATOM 838 O ASP A 37 30.879 14.051 23.691 1.00 0.00 O ATOM 839 CB ASP A 37 31.004 16.586 22.557 1.00 0.00 C ATOM 840 CG ASP A 37 31.384 17.865 21.840 1.00 0.00 C ATOM 841 OD1 ASP A 37 31.226 18.953 22.434 1.00 0.00 O ATOM 842 OD2 ASP A 37 31.840 17.790 20.673 1.00 0.00 O ATOM 0 H ASP A 37 33.257 15.627 21.915 1.00 0.00 H new ATOM 0 HA ASP A 37 32.205 16.917 24.295 1.00 0.00 H new ATOM 0 HB2 ASP A 37 30.838 15.799 21.822 1.00 0.00 H new ATOM 0 HB3 ASP A 37 30.061 16.736 23.082 1.00 0.00 H new ATOM 847 N GLY A 38 32.099 14.671 25.473 1.00 0.00 N ATOM 848 CA GLY A 38 31.766 13.486 26.228 1.00 0.00 C ATOM 849 C GLY A 38 32.826 12.410 26.094 1.00 0.00 C ATOM 850 O GLY A 38 33.750 12.540 25.273 1.00 0.00 O ATOM 0 H GLY A 38 32.717 15.324 25.955 1.00 0.00 H new ATOM 0 HA2 GLY A 38 31.646 13.748 27.279 1.00 0.00 H new ATOM 0 HA3 GLY A 38 30.808 13.095 25.886 1.00 0.00 H new ATOM 854 N SER A 39 32.698 11.355 26.903 1.00 0.00 N ATOM 855 CA SER A 39 33.634 10.225 26.895 1.00 0.00 C ATOM 856 C SER A 39 35.036 10.661 27.353 1.00 0.00 C ATOM 857 O SER A 39 35.191 11.680 28.045 1.00 0.00 O ATOM 858 CB SER A 39 33.691 9.582 25.499 1.00 0.00 C ATOM 859 OG SER A 39 32.408 9.145 25.081 1.00 0.00 O ATOM 0 H SER A 39 31.943 11.259 27.582 1.00 0.00 H new ATOM 0 HA SER A 39 33.270 9.481 27.603 1.00 0.00 H new ATOM 0 HB2 SER A 39 34.085 10.301 24.781 1.00 0.00 H new ATOM 0 HB3 SER A 39 34.379 8.737 25.513 1.00 0.00 H new ATOM 0 HG SER A 39 32.474 8.742 24.190 1.00 0.00 H new ATOM 865 N GLY A 40 36.047 9.869 26.997 1.00 0.00 N ATOM 866 CA GLY A 40 37.412 10.191 27.356 1.00 0.00 C ATOM 867 C GLY A 40 37.979 11.329 26.527 1.00 0.00 C ATOM 868 O GLY A 40 37.235 12.155 26.002 1.00 0.00 O ATOM 0 H GLY A 40 35.939 9.006 26.463 1.00 0.00 H new ATOM 0 HA2 GLY A 40 37.453 10.460 28.412 1.00 0.00 H new ATOM 0 HA3 GLY A 40 38.036 9.307 27.228 1.00 0.00 H new ATOM 872 N VAL A 41 39.288 11.370 26.404 1.00 0.00 N ATOM 873 CA VAL A 41 39.946 12.429 25.653 1.00 0.00 C ATOM 874 C VAL A 41 40.203 11.986 24.213 1.00 0.00 C ATOM 875 O VAL A 41 40.430 10.796 23.944 1.00 0.00 O ATOM 876 CB VAL A 41 41.283 12.847 26.322 1.00 0.00 C ATOM 877 CG1 VAL A 41 41.891 14.064 25.633 1.00 0.00 C ATOM 878 CG2 VAL A 41 41.077 13.120 27.805 1.00 0.00 C ATOM 0 H VAL A 41 39.922 10.684 26.813 1.00 0.00 H new ATOM 0 HA VAL A 41 39.280 13.292 25.648 1.00 0.00 H new ATOM 0 HB VAL A 41 41.983 12.018 26.215 1.00 0.00 H new ATOM 0 HG11 VAL A 41 42.826 14.331 26.125 1.00 0.00 H new ATOM 0 HG12 VAL A 41 42.086 13.830 24.586 1.00 0.00 H new ATOM 0 HG13 VAL A 41 41.196 14.902 25.694 1.00 0.00 H new ATOM 0 HG21 VAL A 41 42.025 13.412 28.256 1.00 0.00 H new ATOM 0 HG22 VAL A 41 40.353 13.925 27.930 1.00 0.00 H new ATOM 0 HG23 VAL A 41 40.705 12.219 28.293 1.00 0.00 H new ATOM 888 N GLY A 42 40.144 12.932 23.291 1.00 0.00 N ATOM 889 CA GLY A 42 40.388 12.630 21.908 1.00 0.00 C ATOM 890 C GLY A 42 41.819 12.918 21.516 1.00 0.00 C ATOM 891 O GLY A 42 42.437 13.849 22.029 1.00 0.00 O ATOM 0 H GLY A 42 39.929 13.910 23.483 1.00 0.00 H new ATOM 0 HA2 GLY A 42 40.164 11.580 21.720 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.715 13.217 21.283 1.00 0.00 H new ATOM 895 N VAL A 43 42.341 12.126 20.622 1.00 0.00 N ATOM 896 CA VAL A 43 43.700 12.271 20.161 1.00 0.00 C ATOM 897 C VAL A 43 43.713 12.643 18.686 1.00 0.00 C ATOM 898 O VAL A 43 43.126 11.941 17.861 1.00 0.00 O ATOM 899 CB VAL A 43 44.493 10.953 20.351 1.00 0.00 C ATOM 900 CG1 VAL A 43 45.958 11.145 19.994 1.00 0.00 C ATOM 901 CG2 VAL A 43 44.350 10.436 21.776 1.00 0.00 C ATOM 0 H VAL A 43 41.834 11.355 20.187 1.00 0.00 H new ATOM 0 HA VAL A 43 44.171 13.059 20.749 1.00 0.00 H new ATOM 0 HB VAL A 43 44.074 10.208 19.675 1.00 0.00 H new ATOM 0 HG11 VAL A 43 46.493 10.206 20.136 1.00 0.00 H new ATOM 0 HG12 VAL A 43 46.041 11.456 18.953 1.00 0.00 H new ATOM 0 HG13 VAL A 43 46.392 11.910 20.637 1.00 0.00 H new ATOM 0 HG21 VAL A 43 44.915 9.510 21.886 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.734 11.180 22.473 1.00 0.00 H new ATOM 0 HG23 VAL A 43 43.298 10.247 21.991 1.00 0.00 H new ATOM 911 N ILE A 44 44.360 13.748 18.356 1.00 0.00 N ATOM 912 CA ILE A 44 44.472 14.167 16.974 1.00 0.00 C ATOM 913 C ILE A 44 45.683 13.506 16.346 1.00 0.00 C ATOM 914 O ILE A 44 46.833 13.881 16.623 1.00 0.00 O ATOM 915 CB ILE A 44 44.580 15.706 16.833 1.00 0.00 C ATOM 916 CG1 ILE A 44 43.336 16.374 17.415 1.00 0.00 C ATOM 917 CG2 ILE A 44 44.762 16.101 15.368 1.00 0.00 C ATOM 918 CD1 ILE A 44 43.351 17.886 17.315 1.00 0.00 C ATOM 0 H ILE A 44 44.814 14.368 19.026 1.00 0.00 H new ATOM 0 HA ILE A 44 43.563 13.859 16.458 1.00 0.00 H new ATOM 0 HB ILE A 44 45.454 16.046 17.389 1.00 0.00 H new ATOM 0 HG12 ILE A 44 42.455 15.994 16.898 1.00 0.00 H new ATOM 0 HG13 ILE A 44 43.238 16.089 18.463 1.00 0.00 H new ATOM 0 HG21 ILE A 44 44.836 17.186 15.290 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.673 15.646 14.979 1.00 0.00 H new ATOM 0 HG23 ILE A 44 43.907 15.753 14.788 1.00 0.00 H new ATOM 0 HD11 ILE A 44 42.436 18.288 17.749 1.00 0.00 H new ATOM 0 HD12 ILE A 44 44.212 18.278 17.857 1.00 0.00 H new ATOM 0 HD13 ILE A 44 43.416 18.181 16.268 1.00 0.00 H new ATOM 930 N VAL A 45 45.433 12.509 15.530 1.00 0.00 N ATOM 931 CA VAL A 45 46.498 11.760 14.917 1.00 0.00 C ATOM 932 C VAL A 45 46.695 12.177 13.474 1.00 0.00 C ATOM 933 O VAL A 45 45.762 12.134 12.668 1.00 0.00 O ATOM 934 CB VAL A 45 46.218 10.245 14.957 1.00 0.00 C ATOM 935 CG1 VAL A 45 47.468 9.460 14.583 1.00 0.00 C ATOM 936 CG2 VAL A 45 45.695 9.825 16.324 1.00 0.00 C ATOM 0 H VAL A 45 44.495 12.199 15.276 1.00 0.00 H new ATOM 0 HA VAL A 45 47.401 11.974 15.488 1.00 0.00 H new ATOM 0 HB VAL A 45 45.445 10.020 14.222 1.00 0.00 H new ATOM 0 HG11 VAL A 45 47.251 8.392 14.617 1.00 0.00 H new ATOM 0 HG12 VAL A 45 47.782 9.735 13.576 1.00 0.00 H new ATOM 0 HG13 VAL A 45 48.267 9.690 15.288 1.00 0.00 H new ATOM 0 HG21 VAL A 45 45.505 8.752 16.327 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.436 10.064 17.086 1.00 0.00 H new ATOM 0 HG23 VAL A 45 44.769 10.358 16.539 1.00 0.00 H new ATOM 946 N THR A 46 47.895 12.590 13.156 1.00 0.00 N ATOM 947 CA THR A 46 48.236 12.933 11.807 1.00 0.00 C ATOM 948 C THR A 46 48.928 11.741 11.160 1.00 0.00 C ATOM 949 O THR A 46 50.067 11.406 11.497 1.00 0.00 O ATOM 950 CB THR A 46 49.143 14.173 11.753 1.00 0.00 C ATOM 951 OG1 THR A 46 48.544 15.233 12.521 1.00 0.00 O ATOM 952 CG2 THR A 46 49.324 14.642 10.319 1.00 0.00 C ATOM 0 H THR A 46 48.658 12.696 13.825 1.00 0.00 H new ATOM 0 HA THR A 46 47.324 13.177 11.263 1.00 0.00 H new ATOM 0 HB THR A 46 50.118 13.911 12.165 1.00 0.00 H new ATOM 0 HG1 THR A 46 48.802 16.099 12.141 1.00 0.00 H new ATOM 0 HG21 THR A 46 49.969 15.521 10.302 1.00 0.00 H new ATOM 0 HG22 THR A 46 49.780 13.846 9.731 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.353 14.897 9.894 1.00 0.00 H new ATOM 960 N PHE A 47 48.223 11.086 10.265 1.00 0.00 N ATOM 961 CA PHE A 47 48.721 9.881 9.628 1.00 0.00 C ATOM 962 C PHE A 47 49.608 10.206 8.438 1.00 0.00 C ATOM 963 O PHE A 47 49.842 11.374 8.119 1.00 0.00 O ATOM 964 CB PHE A 47 47.554 8.996 9.189 1.00 0.00 C ATOM 965 CG PHE A 47 46.694 8.511 10.324 1.00 0.00 C ATOM 966 CD1 PHE A 47 45.717 9.328 10.872 1.00 0.00 C ATOM 967 CD2 PHE A 47 46.858 7.237 10.840 1.00 0.00 C ATOM 968 CE1 PHE A 47 44.924 8.885 11.909 1.00 0.00 C ATOM 969 CE2 PHE A 47 46.069 6.787 11.879 1.00 0.00 C ATOM 970 CZ PHE A 47 45.100 7.613 12.414 1.00 0.00 C ATOM 0 H PHE A 47 47.293 11.369 9.957 1.00 0.00 H new ATOM 0 HA PHE A 47 49.325 9.343 10.358 1.00 0.00 H new ATOM 0 HB2 PHE A 47 46.932 9.553 8.488 1.00 0.00 H new ATOM 0 HB3 PHE A 47 47.948 8.134 8.651 1.00 0.00 H new ATOM 0 HD1 PHE A 47 45.575 10.325 10.481 1.00 0.00 H new ATOM 0 HD2 PHE A 47 47.613 6.587 10.424 1.00 0.00 H new ATOM 0 HE1 PHE A 47 44.166 9.532 12.325 1.00 0.00 H new ATOM 0 HE2 PHE A 47 46.209 5.791 12.273 1.00 0.00 H new ATOM 0 HZ PHE A 47 44.481 7.264 13.227 1.00 0.00 H new ATOM 980 N ASP A 48 50.079 9.159 7.776 1.00 0.00 N ATOM 981 CA ASP A 48 50.944 9.282 6.605 1.00 0.00 C ATOM 982 C ASP A 48 50.187 9.841 5.401 1.00 0.00 C ATOM 983 O ASP A 48 50.780 10.145 4.369 1.00 0.00 O ATOM 984 CB ASP A 48 51.547 7.929 6.260 1.00 0.00 C ATOM 985 CG ASP A 48 50.490 6.881 5.993 1.00 0.00 C ATOM 986 OD1 ASP A 48 49.925 6.344 6.972 1.00 0.00 O ATOM 987 OD2 ASP A 48 50.214 6.595 4.810 1.00 0.00 O ATOM 0 H ASP A 48 49.872 8.194 8.035 1.00 0.00 H new ATOM 0 HA ASP A 48 51.741 9.983 6.851 1.00 0.00 H new ATOM 0 HB2 ASP A 48 52.184 8.031 5.382 1.00 0.00 H new ATOM 0 HB3 ASP A 48 52.185 7.598 7.080 1.00 0.00 H new ATOM 992 N ASP A 49 48.873 9.976 5.538 1.00 0.00 N ATOM 993 CA ASP A 49 48.043 10.551 4.476 1.00 0.00 C ATOM 994 C ASP A 49 48.053 12.068 4.569 1.00 0.00 C ATOM 995 O ASP A 49 47.309 12.743 3.866 1.00 0.00 O ATOM 996 CB ASP A 49 46.591 10.065 4.575 1.00 0.00 C ATOM 997 CG ASP A 49 46.437 8.575 4.397 1.00 0.00 C ATOM 998 OD1 ASP A 49 46.600 8.082 3.263 1.00 0.00 O ATOM 999 OD2 ASP A 49 46.135 7.888 5.390 1.00 0.00 O ATOM 0 H ASP A 49 48.356 9.697 6.372 1.00 0.00 H new ATOM 0 HA ASP A 49 48.461 10.227 3.523 1.00 0.00 H new ATOM 0 HB2 ASP A 49 46.187 10.350 5.547 1.00 0.00 H new ATOM 0 HB3 ASP A 49 45.994 10.576 3.820 1.00 0.00 H new ATOM 1004 N ARG A 50 48.885 12.592 5.483 1.00 0.00 N ATOM 1005 CA ARG A 50 49.007 14.041 5.727 1.00 0.00 C ATOM 1006 C ARG A 50 47.724 14.618 6.328 1.00 0.00 C ATOM 1007 O ARG A 50 47.608 15.825 6.541 1.00 0.00 O ATOM 1008 CB ARG A 50 49.385 14.796 4.445 1.00 0.00 C ATOM 1009 CG ARG A 50 50.764 14.449 3.906 1.00 0.00 C ATOM 1010 CD ARG A 50 51.107 15.282 2.683 1.00 0.00 C ATOM 1011 NE ARG A 50 51.065 16.717 2.973 1.00 0.00 N ATOM 1012 CZ ARG A 50 51.459 17.672 2.128 1.00 0.00 C ATOM 1013 NH1 ARG A 50 51.925 17.354 0.924 1.00 0.00 N ATOM 1014 NH2 ARG A 50 51.380 18.944 2.490 1.00 0.00 N ATOM 0 H ARG A 50 49.492 12.025 6.074 1.00 0.00 H new ATOM 0 HA ARG A 50 49.811 14.176 6.451 1.00 0.00 H new ATOM 0 HB2 ARG A 50 48.642 14.582 3.677 1.00 0.00 H new ATOM 0 HB3 ARG A 50 49.342 15.867 4.641 1.00 0.00 H new ATOM 0 HG2 ARG A 50 51.512 14.614 4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 50 50.800 13.390 3.649 1.00 0.00 H new ATOM 0 HD2 ARG A 50 52.101 15.012 2.327 1.00 0.00 H new ATOM 0 HD3 ARG A 50 50.407 15.053 1.879 1.00 0.00 H new ATOM 0 HE ARG A 50 50.710 17.007 3.884 1.00 0.00 H new ATOM 0 HH11 ARG A 50 51.983 16.376 0.642 1.00 0.00 H new ATOM 0 HH12 ARG A 50 52.225 18.088 0.283 1.00 0.00 H new ATOM 0 HH21 ARG A 50 51.019 19.190 3.412 1.00 0.00 H new ATOM 0 HH22 ARG A 50 51.680 19.677 1.847 1.00 0.00 H new ATOM 1028 N SER A 51 46.779 13.749 6.615 1.00 0.00 N ATOM 1029 CA SER A 51 45.520 14.155 7.183 1.00 0.00 C ATOM 1030 C SER A 51 45.467 13.813 8.661 1.00 0.00 C ATOM 1031 O SER A 51 45.889 12.723 9.077 1.00 0.00 O ATOM 1032 CB SER A 51 44.364 13.481 6.441 1.00 0.00 C ATOM 1033 OG SER A 51 44.359 13.847 5.069 1.00 0.00 O ATOM 0 H SER A 51 46.865 12.745 6.460 1.00 0.00 H new ATOM 0 HA SER A 51 45.424 15.235 7.076 1.00 0.00 H new ATOM 0 HB2 SER A 51 44.451 12.398 6.532 1.00 0.00 H new ATOM 0 HB3 SER A 51 43.417 13.765 6.900 1.00 0.00 H new ATOM 0 HG SER A 51 43.613 13.403 4.615 1.00 0.00 H new ATOM 1039 N SER A 52 44.979 14.744 9.448 1.00 0.00 N ATOM 1040 CA SER A 52 44.838 14.539 10.862 1.00 0.00 C ATOM 1041 C SER A 52 43.391 14.226 11.209 1.00 0.00 C ATOM 1042 O SER A 52 42.473 14.979 10.858 1.00 0.00 O ATOM 1043 CB SER A 52 45.329 15.774 11.619 1.00 0.00 C ATOM 1044 OG SER A 52 44.852 16.966 11.008 1.00 0.00 O ATOM 0 H SER A 52 44.671 15.660 9.123 1.00 0.00 H new ATOM 0 HA SER A 52 45.448 13.687 11.162 1.00 0.00 H new ATOM 0 HB2 SER A 52 44.990 15.730 12.654 1.00 0.00 H new ATOM 0 HB3 SER A 52 46.419 15.783 11.641 1.00 0.00 H new ATOM 0 HG SER A 52 43.938 16.825 10.685 1.00 0.00 H new ATOM 1050 N THR A 53 43.190 13.121 11.879 1.00 0.00 N ATOM 1051 CA THR A 53 41.875 12.695 12.275 1.00 0.00 C ATOM 1052 C THR A 53 41.878 12.383 13.766 1.00 0.00 C ATOM 1053 O THR A 53 42.816 11.762 14.273 1.00 0.00 O ATOM 1054 CB THR A 53 41.436 11.449 11.465 1.00 0.00 C ATOM 1055 OG1 THR A 53 41.549 11.727 10.056 1.00 0.00 O ATOM 1056 CG2 THR A 53 39.999 11.063 11.786 1.00 0.00 C ATOM 0 H THR A 53 43.938 12.489 12.166 1.00 0.00 H new ATOM 0 HA THR A 53 41.164 13.496 12.072 1.00 0.00 H new ATOM 0 HB THR A 53 42.087 10.618 11.738 1.00 0.00 H new ATOM 0 HG1 THR A 53 41.273 10.938 9.544 1.00 0.00 H new ATOM 0 HG21 THR A 53 39.719 10.186 11.203 1.00 0.00 H new ATOM 0 HG22 THR A 53 39.912 10.835 12.848 1.00 0.00 H new ATOM 0 HG23 THR A 53 39.335 11.891 11.537 1.00 0.00 H new ATOM 1064 N TRP A 54 40.859 12.834 14.471 1.00 0.00 N ATOM 1065 CA TRP A 54 40.796 12.617 15.900 1.00 0.00 C ATOM 1066 C TRP A 54 40.093 11.309 16.236 1.00 0.00 C ATOM 1067 O TRP A 54 39.066 10.965 15.649 1.00 0.00 O ATOM 1068 CB TRP A 54 40.122 13.803 16.618 1.00 0.00 C ATOM 1069 CG TRP A 54 38.692 14.040 16.222 1.00 0.00 C ATOM 1070 CD1 TRP A 54 38.244 14.789 15.177 1.00 0.00 C ATOM 1071 CD2 TRP A 54 37.523 13.530 16.877 1.00 0.00 C ATOM 1072 NE1 TRP A 54 36.874 14.778 15.141 1.00 0.00 N ATOM 1073 CE2 TRP A 54 36.407 14.009 16.169 1.00 0.00 C ATOM 1074 CE3 TRP A 54 37.314 12.710 17.988 1.00 0.00 C ATOM 1075 CZ2 TRP A 54 35.101 13.699 16.539 1.00 0.00 C ATOM 1076 CZ3 TRP A 54 36.019 12.404 18.353 1.00 0.00 C ATOM 1077 CH2 TRP A 54 34.928 12.896 17.629 1.00 0.00 C ATOM 0 H TRP A 54 40.070 13.349 14.080 1.00 0.00 H new ATOM 0 HA TRP A 54 41.822 12.545 16.261 1.00 0.00 H new ATOM 0 HB2 TRP A 54 40.164 13.632 17.694 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.696 14.707 16.416 1.00 0.00 H new ATOM 0 HD1 TRP A 54 38.877 15.316 14.478 1.00 0.00 H new ATOM 0 HE1 TRP A 54 36.296 15.266 14.457 1.00 0.00 H new ATOM 0 HE3 TRP A 54 38.150 12.323 18.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 34.256 14.080 15.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 35.845 11.774 19.213 1.00 0.00 H new ATOM 0 HH2 TRP A 54 33.927 12.635 17.939 1.00 0.00 H new ATOM 1088 N PHE A 55 40.676 10.582 17.156 1.00 0.00 N ATOM 1089 CA PHE A 55 40.122 9.334 17.643 1.00 0.00 C ATOM 1090 C PHE A 55 40.173 9.343 19.149 1.00 0.00 C ATOM 1091 O PHE A 55 40.815 10.201 19.733 1.00 0.00 O ATOM 1092 CB PHE A 55 40.911 8.143 17.100 1.00 0.00 C ATOM 1093 CG PHE A 55 40.760 7.942 15.622 1.00 0.00 C ATOM 1094 CD1 PHE A 55 39.629 7.335 15.112 1.00 0.00 C ATOM 1095 CD2 PHE A 55 41.744 8.366 14.745 1.00 0.00 C ATOM 1096 CE1 PHE A 55 39.478 7.150 13.755 1.00 0.00 C ATOM 1097 CE2 PHE A 55 41.599 8.183 13.384 1.00 0.00 C ATOM 1098 CZ PHE A 55 40.465 7.575 12.888 1.00 0.00 C ATOM 0 H PHE A 55 41.559 10.839 17.596 1.00 0.00 H new ATOM 0 HA PHE A 55 39.091 9.237 17.302 1.00 0.00 H new ATOM 0 HB2 PHE A 55 41.967 8.282 17.333 1.00 0.00 H new ATOM 0 HB3 PHE A 55 40.587 7.239 17.615 1.00 0.00 H new ATOM 0 HD1 PHE A 55 38.853 7.001 15.785 1.00 0.00 H new ATOM 0 HD2 PHE A 55 42.633 8.844 15.129 1.00 0.00 H new ATOM 0 HE1 PHE A 55 38.589 6.673 13.370 1.00 0.00 H new ATOM 0 HE2 PHE A 55 42.373 8.516 12.708 1.00 0.00 H new ATOM 0 HZ PHE A 55 40.349 7.432 11.824 1.00 0.00 H new ATOM 1108 N PHE A 56 39.505 8.416 19.788 1.00 0.00 N ATOM 1109 CA PHE A 56 39.524 8.388 21.235 1.00 0.00 C ATOM 1110 C PHE A 56 40.734 7.647 21.768 1.00 0.00 C ATOM 1111 O PHE A 56 41.290 6.777 21.105 1.00 0.00 O ATOM 1112 CB PHE A 56 38.232 7.814 21.809 1.00 0.00 C ATOM 1113 CG PHE A 56 37.090 8.791 21.784 1.00 0.00 C ATOM 1114 CD1 PHE A 56 36.289 8.922 20.665 1.00 0.00 C ATOM 1115 CD2 PHE A 56 36.822 9.582 22.888 1.00 0.00 C ATOM 1116 CE1 PHE A 56 35.242 9.821 20.645 1.00 0.00 C ATOM 1117 CE2 PHE A 56 35.779 10.484 22.874 1.00 0.00 C ATOM 1118 CZ PHE A 56 34.987 10.603 21.751 1.00 0.00 C ATOM 0 H PHE A 56 38.951 7.683 19.344 1.00 0.00 H new ATOM 0 HA PHE A 56 39.599 9.423 21.568 1.00 0.00 H new ATOM 0 HB2 PHE A 56 37.954 6.925 21.243 1.00 0.00 H new ATOM 0 HB3 PHE A 56 38.408 7.496 22.837 1.00 0.00 H new ATOM 0 HD1 PHE A 56 36.485 8.313 19.795 1.00 0.00 H new ATOM 0 HD2 PHE A 56 37.437 9.492 23.771 1.00 0.00 H new ATOM 0 HE1 PHE A 56 34.624 9.912 19.764 1.00 0.00 H new ATOM 0 HE2 PHE A 56 35.582 11.097 23.741 1.00 0.00 H new ATOM 0 HZ PHE A 56 34.169 11.308 21.738 1.00 0.00 H new ATOM 1128 N GLU A 57 41.131 8.017 22.969 1.00 0.00 N ATOM 1129 CA GLU A 57 42.278 7.432 23.663 1.00 0.00 C ATOM 1130 C GLU A 57 42.237 5.892 23.702 1.00 0.00 C ATOM 1131 O GLU A 57 43.264 5.234 23.566 1.00 0.00 O ATOM 1132 CB GLU A 57 42.317 7.970 25.081 1.00 0.00 C ATOM 1133 CG GLU A 57 40.962 7.949 25.775 1.00 0.00 C ATOM 1134 CD GLU A 57 41.061 8.236 27.250 1.00 0.00 C ATOM 1135 OE1 GLU A 57 41.421 7.314 28.015 1.00 0.00 O ATOM 1136 OE2 GLU A 57 40.776 9.380 27.660 1.00 0.00 O ATOM 0 H GLU A 57 40.662 8.746 23.506 1.00 0.00 H new ATOM 0 HA GLU A 57 43.174 7.711 23.109 1.00 0.00 H new ATOM 0 HB2 GLU A 57 43.025 7.382 25.665 1.00 0.00 H new ATOM 0 HB3 GLU A 57 42.691 8.994 25.063 1.00 0.00 H new ATOM 0 HG2 GLU A 57 40.308 8.686 25.309 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.498 6.973 25.629 1.00 0.00 H new ATOM 1143 N ASP A 58 41.053 5.334 23.895 1.00 0.00 N ATOM 1144 CA ASP A 58 40.884 3.878 24.000 1.00 0.00 C ATOM 1145 C ASP A 58 40.661 3.257 22.616 1.00 0.00 C ATOM 1146 O ASP A 58 40.628 2.038 22.453 1.00 0.00 O ATOM 1147 CB ASP A 58 39.697 3.571 24.927 1.00 0.00 C ATOM 1148 CG ASP A 58 39.527 2.094 25.226 1.00 0.00 C ATOM 1149 OD1 ASP A 58 40.148 1.598 26.190 1.00 0.00 O ATOM 1150 OD2 ASP A 58 38.746 1.428 24.521 1.00 0.00 O ATOM 0 H ASP A 58 40.185 5.863 23.984 1.00 0.00 H new ATOM 0 HA ASP A 58 41.791 3.442 24.419 1.00 0.00 H new ATOM 0 HB2 ASP A 58 39.830 4.110 25.865 1.00 0.00 H new ATOM 0 HB3 ASP A 58 38.782 3.948 24.470 1.00 0.00 H new ATOM 1155 N GLU A 59 40.540 4.113 21.628 1.00 0.00 N ATOM 1156 CA GLU A 59 40.290 3.702 20.260 1.00 0.00 C ATOM 1157 C GLU A 59 41.615 3.496 19.521 1.00 0.00 C ATOM 1158 O GLU A 59 41.684 2.783 18.512 1.00 0.00 O ATOM 1159 CB GLU A 59 39.425 4.776 19.591 1.00 0.00 C ATOM 1160 CG GLU A 59 38.986 4.502 18.177 1.00 0.00 C ATOM 1161 CD GLU A 59 37.623 5.099 17.913 1.00 0.00 C ATOM 1162 OE1 GLU A 59 37.507 6.337 17.898 1.00 0.00 O ATOM 1163 OE2 GLU A 59 36.639 4.326 17.800 1.00 0.00 O ATOM 0 H GLU A 59 40.612 5.123 21.749 1.00 0.00 H new ATOM 0 HA GLU A 59 39.760 2.750 20.233 1.00 0.00 H new ATOM 0 HB2 GLU A 59 38.535 4.926 20.202 1.00 0.00 H new ATOM 0 HB3 GLU A 59 39.979 5.715 19.600 1.00 0.00 H new ATOM 0 HG2 GLU A 59 39.712 4.919 17.479 1.00 0.00 H new ATOM 0 HG3 GLU A 59 38.957 3.426 18.002 1.00 0.00 H new ATOM 1170 N VAL A 60 42.672 4.099 20.048 1.00 0.00 N ATOM 1171 CA VAL A 60 43.993 3.986 19.458 1.00 0.00 C ATOM 1172 C VAL A 60 44.979 3.310 20.414 1.00 0.00 C ATOM 1173 O VAL A 60 44.862 3.423 21.639 1.00 0.00 O ATOM 1174 CB VAL A 60 44.559 5.369 19.039 1.00 0.00 C ATOM 1175 CG1 VAL A 60 43.722 5.983 17.929 1.00 0.00 C ATOM 1176 CG2 VAL A 60 44.637 6.314 20.233 1.00 0.00 C ATOM 0 H VAL A 60 42.636 4.675 20.889 1.00 0.00 H new ATOM 0 HA VAL A 60 43.878 3.369 18.567 1.00 0.00 H new ATOM 0 HB VAL A 60 45.570 5.214 18.662 1.00 0.00 H new ATOM 0 HG11 VAL A 60 44.138 6.952 17.653 1.00 0.00 H new ATOM 0 HG12 VAL A 60 43.729 5.324 17.061 1.00 0.00 H new ATOM 0 HG13 VAL A 60 42.697 6.114 18.276 1.00 0.00 H new ATOM 0 HG21 VAL A 60 45.037 7.275 19.911 1.00 0.00 H new ATOM 0 HG22 VAL A 60 43.640 6.457 20.650 1.00 0.00 H new ATOM 0 HG23 VAL A 60 45.290 5.886 20.994 1.00 0.00 H new ATOM 1186 N GLU A 61 45.929 2.597 19.848 1.00 0.00 N ATOM 1187 CA GLU A 61 46.969 1.949 20.618 1.00 0.00 C ATOM 1188 C GLU A 61 48.275 2.714 20.432 1.00 0.00 C ATOM 1189 O GLU A 61 48.543 3.233 19.348 1.00 0.00 O ATOM 1190 CB GLU A 61 47.132 0.479 20.180 1.00 0.00 C ATOM 1191 CG GLU A 61 47.583 0.298 18.733 1.00 0.00 C ATOM 1192 CD GLU A 61 47.623 -1.154 18.306 1.00 0.00 C ATOM 1193 OE1 GLU A 61 48.617 -1.840 18.622 1.00 0.00 O ATOM 1194 OE2 GLU A 61 46.662 -1.619 17.648 1.00 0.00 O ATOM 0 H GLU A 61 46.002 2.450 18.841 1.00 0.00 H new ATOM 0 HA GLU A 61 46.695 1.953 21.673 1.00 0.00 H new ATOM 0 HB2 GLU A 61 47.855 -0.005 20.836 1.00 0.00 H new ATOM 0 HB3 GLU A 61 46.181 -0.036 20.319 1.00 0.00 H new ATOM 0 HG2 GLU A 61 46.908 0.846 18.076 1.00 0.00 H new ATOM 0 HG3 GLU A 61 48.574 0.735 18.609 1.00 0.00 H new ATOM 1201 N VAL A 62 49.065 2.806 21.482 1.00 0.00 N ATOM 1202 CA VAL A 62 50.326 3.527 21.414 1.00 0.00 C ATOM 1203 C VAL A 62 51.373 2.690 20.699 1.00 0.00 C ATOM 1204 O VAL A 62 51.536 1.503 20.984 1.00 0.00 O ATOM 1205 CB VAL A 62 50.845 3.922 22.820 1.00 0.00 C ATOM 1206 CG1 VAL A 62 52.111 4.764 22.714 1.00 0.00 C ATOM 1207 CG2 VAL A 62 49.770 4.670 23.597 1.00 0.00 C ATOM 0 H VAL A 62 48.860 2.393 22.392 1.00 0.00 H new ATOM 0 HA VAL A 62 50.144 4.444 20.854 1.00 0.00 H new ATOM 0 HB VAL A 62 51.089 3.008 23.361 1.00 0.00 H new ATOM 0 HG11 VAL A 62 52.456 5.029 23.713 1.00 0.00 H new ATOM 0 HG12 VAL A 62 52.886 4.193 22.202 1.00 0.00 H new ATOM 0 HG13 VAL A 62 51.898 5.673 22.151 1.00 0.00 H new ATOM 0 HG21 VAL A 62 50.153 4.939 24.581 1.00 0.00 H new ATOM 0 HG22 VAL A 62 49.493 5.575 23.056 1.00 0.00 H new ATOM 0 HG23 VAL A 62 48.893 4.033 23.711 1.00 0.00 H new ATOM 1217 N VAL A 63 52.073 3.309 19.774 1.00 0.00 N ATOM 1218 CA VAL A 63 53.080 2.631 18.998 1.00 0.00 C ATOM 1219 C VAL A 63 54.439 3.258 19.256 1.00 0.00 C ATOM 1220 O VAL A 63 54.618 4.467 19.095 1.00 0.00 O ATOM 1221 CB VAL A 63 52.761 2.686 17.481 1.00 0.00 C ATOM 1222 CG1 VAL A 63 53.797 1.920 16.678 1.00 0.00 C ATOM 1223 CG2 VAL A 63 51.369 2.136 17.208 1.00 0.00 C ATOM 0 H VAL A 63 51.958 4.295 19.541 1.00 0.00 H new ATOM 0 HA VAL A 63 53.091 1.585 19.305 1.00 0.00 H new ATOM 0 HB VAL A 63 52.792 3.730 17.169 1.00 0.00 H new ATOM 0 HG11 VAL A 63 53.549 1.975 15.618 1.00 0.00 H new ATOM 0 HG12 VAL A 63 54.782 2.357 16.844 1.00 0.00 H new ATOM 0 HG13 VAL A 63 53.805 0.877 16.995 1.00 0.00 H new ATOM 0 HG21 VAL A 63 51.163 2.183 16.139 1.00 0.00 H new ATOM 0 HG22 VAL A 63 51.315 1.100 17.543 1.00 0.00 H new ATOM 0 HG23 VAL A 63 50.631 2.731 17.746 1.00 0.00 H new ATOM 1233 N GLY A 64 55.379 2.446 19.675 1.00 0.00 N ATOM 1234 CA GLY A 64 56.704 2.931 19.955 1.00 0.00 C ATOM 1235 C GLY A 64 57.289 2.271 21.181 1.00 0.00 C ATOM 1236 O GLY A 64 57.143 2.821 22.290 1.00 0.00 O ATOM 1237 OXT GLY A 64 57.870 1.179 21.046 1.00 0.00 O ATOM 0 H GLY A 64 55.249 1.446 19.829 1.00 0.00 H new ATOM 0 HA2 GLY A 64 57.350 2.744 19.097 1.00 0.00 H new ATOM 0 HA3 GLY A 64 56.674 4.011 20.102 1.00 0.00 H new