USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=14 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 -132:sc= 1.21 USER MOD Set 1.2: A 46 THR OG1 : rot -170:sc= 1.08 USER MOD Set 2.1: A 23 LYS NZ :NH3+ 159:sc= 3.28 (180deg=0.598) USER MOD Set 2.2: A 51 SER OG : rot 139:sc= 0.996 USER MOD Set 2.3: A 53 THR OG1 : rot -120:sc= 0.811 USER MOD Single : A 1 MET CE :methyl -173:sc= -0.203 (180deg=-0.274) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.326 F(o=-0.94,f=-0.33) USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 1.23 (180deg=1.19) USER MOD Single : A -3 ILE N :NH3+ -160:sc= -0.237 (180deg=-0.966) USER MOD Single : A 10 CYS SG : rot 177:sc= 0.272 USER MOD Single : A 18 GLN : amide:sc= -0.0242 K(o=-0.024,f=-0.53) USER MOD Single : A 22 GLN : amide:sc= 0.578 K(o=0.58,f=-0.3) USER MOD Single : A 26 GLN :FLIP amide:sc= 0.313 F(o=-0.31,f=0.31) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -99:sc= 0.287 USER MOD Single : A 39 SER OG : rot 149:sc= 0.887 USER MOD Single : A 52 SER OG : rot 35:sc= 0.0335 USER MOD ----------------------------------------------------------------- ATOM 181 N ILE A -3 46.105 9.957 30.531 1.00 0.00 N ATOM 182 CA ILE A -3 46.417 10.060 29.117 1.00 0.00 C ATOM 183 C ILE A -3 47.840 10.538 28.906 1.00 0.00 C ATOM 184 O ILE A -3 48.607 9.909 28.203 1.00 0.00 O ATOM 185 CB ILE A -3 45.460 11.050 28.419 1.00 0.00 C ATOM 186 CG1 ILE A -3 44.018 10.750 28.808 1.00 0.00 C ATOM 187 CG2 ILE A -3 45.631 10.990 26.907 1.00 0.00 C ATOM 188 CD1 ILE A -3 43.017 11.702 28.218 1.00 0.00 C ATOM 0 H1 ILE A -3 45.287 9.328 30.661 1.00 0.00 H new ATOM 0 H2 ILE A -3 46.925 9.568 31.040 1.00 0.00 H new ATOM 0 H3 ILE A -3 45.880 10.900 30.906 1.00 0.00 H new ATOM 0 HA ILE A -3 46.300 9.065 28.687 1.00 0.00 H new ATOM 0 HB ILE A -3 45.707 12.060 28.747 1.00 0.00 H new ATOM 0 HG12 ILE A -3 43.770 9.736 28.492 1.00 0.00 H new ATOM 0 HG13 ILE A -3 43.932 10.776 29.894 1.00 0.00 H new ATOM 0 HG21 ILE A -3 44.947 11.696 26.435 1.00 0.00 H new ATOM 0 HG22 ILE A -3 46.657 11.250 26.646 1.00 0.00 H new ATOM 0 HG23 ILE A -3 45.411 9.982 26.556 1.00 0.00 H new ATOM 0 HD11 ILE A -3 42.014 11.422 28.541 1.00 0.00 H new ATOM 0 HD12 ILE A -3 43.237 12.715 28.554 1.00 0.00 H new ATOM 0 HD13 ILE A -3 43.072 11.660 27.130 1.00 0.00 H new ATOM 200 N GLU A -2 48.179 11.640 29.551 1.00 0.00 N ATOM 201 CA GLU A -2 49.484 12.286 29.403 1.00 0.00 C ATOM 202 C GLU A -2 50.649 11.340 29.761 1.00 0.00 C ATOM 203 O GLU A -2 51.764 11.477 29.238 1.00 0.00 O ATOM 204 CB GLU A -2 49.509 13.540 30.279 1.00 0.00 C ATOM 205 CG GLU A -2 50.798 14.337 30.229 1.00 0.00 C ATOM 206 CD GLU A -2 50.734 15.571 31.097 1.00 0.00 C ATOM 207 OE1 GLU A -2 50.836 15.437 32.333 1.00 0.00 O ATOM 208 OE2 GLU A -2 50.565 16.681 30.553 1.00 0.00 O ATOM 0 H GLU A -2 47.555 12.121 30.199 1.00 0.00 H new ATOM 0 HA GLU A -2 49.623 12.557 28.356 1.00 0.00 H new ATOM 0 HB2 GLU A -2 48.687 14.190 29.979 1.00 0.00 H new ATOM 0 HB3 GLU A -2 49.322 13.246 31.312 1.00 0.00 H new ATOM 0 HG2 GLU A -2 51.626 13.708 30.554 1.00 0.00 H new ATOM 0 HG3 GLU A -2 51.004 14.628 29.199 1.00 0.00 H new ATOM 215 N GLY A -1 50.380 10.378 30.630 1.00 0.00 N ATOM 216 CA GLY A -1 51.413 9.448 31.051 1.00 0.00 C ATOM 217 C GLY A -1 51.562 8.246 30.124 1.00 0.00 C ATOM 218 O GLY A -1 52.426 7.394 30.341 1.00 0.00 O ATOM 0 H GLY A -1 49.465 10.222 31.053 1.00 0.00 H new ATOM 0 HA2 GLY A -1 52.365 9.975 31.106 1.00 0.00 H new ATOM 0 HA3 GLY A -1 51.186 9.095 32.057 1.00 0.00 H new ATOM 222 N ARG A 0 50.730 8.177 29.093 1.00 0.00 N ATOM 223 CA ARG A 0 50.777 7.067 28.134 1.00 0.00 C ATOM 224 C ARG A 0 50.756 7.579 26.700 1.00 0.00 C ATOM 225 O ARG A 0 51.577 7.183 25.877 1.00 0.00 O ATOM 226 CB ARG A 0 49.625 6.075 28.376 1.00 0.00 C ATOM 227 CG ARG A 0 48.349 6.717 28.890 1.00 0.00 C ATOM 228 CD ARG A 0 47.245 5.692 29.102 1.00 0.00 C ATOM 229 NE ARG A 0 46.652 5.242 27.841 1.00 0.00 N ATOM 230 CZ ARG A 0 45.401 5.525 27.459 1.00 0.00 C ATOM 231 NH1 ARG A 0 44.630 6.296 28.222 1.00 0.00 N ATOM 232 NH2 ARG A 0 44.931 5.047 26.310 1.00 0.00 N ATOM 0 H ARG A 0 50.012 8.874 28.894 1.00 0.00 H new ATOM 0 HA ARG A 0 51.717 6.537 28.289 1.00 0.00 H new ATOM 0 HB2 ARG A 0 49.407 5.555 27.443 1.00 0.00 H new ATOM 0 HB3 ARG A 0 49.953 5.322 29.092 1.00 0.00 H new ATOM 0 HG2 ARG A 0 48.554 7.230 29.830 1.00 0.00 H new ATOM 0 HG3 ARG A 0 48.012 7.473 28.181 1.00 0.00 H new ATOM 0 HD2 ARG A 0 47.649 4.833 29.638 1.00 0.00 H new ATOM 0 HD3 ARG A 0 46.468 6.124 29.732 1.00 0.00 H new ATOM 0 HE ARG A 0 47.228 4.678 27.215 1.00 0.00 H new ATOM 0 HH11 ARG A 0 44.992 6.672 29.098 1.00 0.00 H new ATOM 0 HH12 ARG A 0 43.677 6.511 27.930 1.00 0.00 H new ATOM 0 HH21 ARG A 0 45.524 4.464 25.719 1.00 0.00 H new ATOM 0 HH22 ARG A 0 43.977 5.263 26.020 1.00 0.00 H new ATOM 246 N MET A 1 49.828 8.462 26.409 1.00 0.00 N ATOM 247 CA MET A 1 49.721 9.051 25.092 1.00 0.00 C ATOM 248 C MET A 1 50.510 10.346 25.101 1.00 0.00 C ATOM 249 O MET A 1 50.164 11.280 25.823 1.00 0.00 O ATOM 250 CB MET A 1 48.250 9.341 24.748 1.00 0.00 C ATOM 251 CG MET A 1 47.256 8.304 25.274 1.00 0.00 C ATOM 252 SD MET A 1 47.564 6.632 24.672 1.00 0.00 S ATOM 253 CE MET A 1 47.179 6.821 22.939 1.00 0.00 C ATOM 0 H MET A 1 49.129 8.792 27.074 1.00 0.00 H new ATOM 0 HA MET A 1 50.113 8.363 24.342 1.00 0.00 H new ATOM 0 HB2 MET A 1 47.982 10.318 25.150 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.150 9.404 23.664 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.291 8.300 26.363 1.00 0.00 H new ATOM 0 HG3 MET A 1 46.248 8.603 24.989 1.00 0.00 H new ATOM 0 HE1 MET A 1 47.201 5.846 22.453 1.00 0.00 H new ATOM 0 HE2 MET A 1 46.186 7.257 22.832 1.00 0.00 H new ATOM 0 HE3 MET A 1 47.915 7.476 22.472 1.00 0.00 H new ATOM 263 N ASP A 2 51.569 10.403 24.328 1.00 0.00 N ATOM 264 CA ASP A 2 52.437 11.569 24.343 1.00 0.00 C ATOM 265 C ASP A 2 52.512 12.210 22.971 1.00 0.00 C ATOM 266 O ASP A 2 52.395 11.526 21.950 1.00 0.00 O ATOM 267 CB ASP A 2 53.836 11.168 24.801 1.00 0.00 C ATOM 268 CG ASP A 2 54.524 12.247 25.604 1.00 0.00 C ATOM 269 OD1 ASP A 2 54.790 13.333 25.056 1.00 0.00 O ATOM 270 OD2 ASP A 2 54.812 12.007 26.800 1.00 0.00 O ATOM 0 H ASP A 2 51.853 9.665 23.684 1.00 0.00 H new ATOM 0 HA ASP A 2 52.019 12.296 25.039 1.00 0.00 H new ATOM 0 HB2 ASP A 2 53.770 10.261 25.402 1.00 0.00 H new ATOM 0 HB3 ASP A 2 54.444 10.928 23.928 1.00 0.00 H new ATOM 275 N VAL A 3 52.710 13.515 22.945 1.00 0.00 N ATOM 276 CA VAL A 3 52.827 14.241 21.695 1.00 0.00 C ATOM 277 C VAL A 3 54.140 13.869 20.999 1.00 0.00 C ATOM 278 O VAL A 3 55.190 13.787 21.635 1.00 0.00 O ATOM 279 CB VAL A 3 52.744 15.780 21.917 1.00 0.00 C ATOM 280 CG1 VAL A 3 53.859 16.271 22.833 1.00 0.00 C ATOM 281 CG2 VAL A 3 52.768 16.523 20.589 1.00 0.00 C ATOM 0 H VAL A 3 52.793 14.096 23.779 1.00 0.00 H new ATOM 0 HA VAL A 3 51.989 13.957 21.058 1.00 0.00 H new ATOM 0 HB VAL A 3 51.794 15.991 22.408 1.00 0.00 H new ATOM 0 HG11 VAL A 3 53.772 17.349 22.967 1.00 0.00 H new ATOM 0 HG12 VAL A 3 53.778 15.777 23.801 1.00 0.00 H new ATOM 0 HG13 VAL A 3 54.826 16.038 22.387 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.709 17.596 20.771 1.00 0.00 H new ATOM 0 HG22 VAL A 3 53.694 16.295 20.061 1.00 0.00 H new ATOM 0 HG23 VAL A 3 51.918 16.211 19.982 1.00 0.00 H new ATOM 291 N GLY A 4 54.072 13.613 19.709 1.00 0.00 N ATOM 292 CA GLY A 4 55.252 13.197 18.980 1.00 0.00 C ATOM 293 C GLY A 4 55.307 11.692 18.839 1.00 0.00 C ATOM 294 O GLY A 4 56.011 11.161 17.980 1.00 0.00 O ATOM 0 H GLY A 4 53.223 13.684 19.149 1.00 0.00 H new ATOM 0 HA2 GLY A 4 55.253 13.657 17.992 1.00 0.00 H new ATOM 0 HA3 GLY A 4 56.145 13.549 19.497 1.00 0.00 H new ATOM 298 N GLN A 5 54.564 11.007 19.695 1.00 0.00 N ATOM 299 CA GLN A 5 54.469 9.564 19.647 1.00 0.00 C ATOM 300 C GLN A 5 53.451 9.152 18.613 1.00 0.00 C ATOM 301 O GLN A 5 52.589 9.945 18.233 1.00 0.00 O ATOM 302 CB GLN A 5 54.092 8.999 21.018 1.00 0.00 C ATOM 303 CG GLN A 5 55.284 8.748 21.920 1.00 0.00 C ATOM 304 CD GLN A 5 56.117 7.578 21.442 1.00 0.00 C ATOM 305 OE1 GLN A 5 57.066 7.842 20.571 1.00 0.00 O flip ATOM 306 NE2 GLN A 5 55.899 6.440 21.849 1.00 0.00 N flip ATOM 0 H GLN A 5 54.014 11.438 20.438 1.00 0.00 H new ATOM 0 HA GLN A 5 55.443 9.160 19.370 1.00 0.00 H new ATOM 0 HB2 GLN A 5 53.412 9.693 21.513 1.00 0.00 H new ATOM 0 HB3 GLN A 5 53.549 8.064 20.879 1.00 0.00 H new ATOM 0 HG2 GLN A 5 55.904 9.643 21.959 1.00 0.00 H new ATOM 0 HG3 GLN A 5 54.937 8.556 22.935 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.154 6.274 22.525 1.00 0.00 H new ATOM 0 HE22 GLN A 5 56.463 5.661 21.511 1.00 0.00 H new ATOM 315 N LYS A 6 53.542 7.932 18.154 1.00 0.00 N ATOM 316 CA LYS A 6 52.630 7.457 17.153 1.00 0.00 C ATOM 317 C LYS A 6 51.602 6.541 17.756 1.00 0.00 C ATOM 318 O LYS A 6 51.849 5.892 18.767 1.00 0.00 O ATOM 319 CB LYS A 6 53.376 6.749 16.027 1.00 0.00 C ATOM 320 CG LYS A 6 54.384 7.630 15.312 1.00 0.00 C ATOM 321 CD LYS A 6 54.999 6.913 14.124 1.00 0.00 C ATOM 322 CE LYS A 6 55.673 5.630 14.558 1.00 0.00 C ATOM 323 NZ LYS A 6 56.396 4.967 13.447 1.00 0.00 N ATOM 0 H LYS A 6 54.238 7.251 18.458 1.00 0.00 H new ATOM 0 HA LYS A 6 52.117 8.322 16.733 1.00 0.00 H new ATOM 0 HB2 LYS A 6 53.892 5.880 16.436 1.00 0.00 H new ATOM 0 HB3 LYS A 6 52.652 6.378 15.301 1.00 0.00 H new ATOM 0 HG2 LYS A 6 53.896 8.544 14.975 1.00 0.00 H new ATOM 0 HG3 LYS A 6 55.170 7.926 16.007 1.00 0.00 H new ATOM 0 HD2 LYS A 6 54.226 6.692 13.388 1.00 0.00 H new ATOM 0 HD3 LYS A 6 55.726 7.564 13.638 1.00 0.00 H new ATOM 0 HE2 LYS A 6 56.373 5.846 15.366 1.00 0.00 H new ATOM 0 HE3 LYS A 6 54.924 4.947 14.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 56.740 4.037 13.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 55.753 4.843 12.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 57.204 5.555 13.159 1.00 0.00 H new ATOM 337 N VAL A 7 50.448 6.508 17.148 1.00 0.00 N ATOM 338 CA VAL A 7 49.374 5.662 17.587 1.00 0.00 C ATOM 339 C VAL A 7 48.744 4.966 16.407 1.00 0.00 C ATOM 340 O VAL A 7 48.809 5.451 15.273 1.00 0.00 O ATOM 341 CB VAL A 7 48.288 6.435 18.373 1.00 0.00 C ATOM 342 CG1 VAL A 7 48.801 6.841 19.740 1.00 0.00 C ATOM 343 CG2 VAL A 7 47.826 7.650 17.598 1.00 0.00 C ATOM 0 H VAL A 7 50.225 7.072 16.328 1.00 0.00 H new ATOM 0 HA VAL A 7 49.809 4.928 18.266 1.00 0.00 H new ATOM 0 HB VAL A 7 47.434 5.771 18.510 1.00 0.00 H new ATOM 0 HG11 VAL A 7 48.021 7.383 20.275 1.00 0.00 H new ATOM 0 HG12 VAL A 7 49.076 5.950 20.305 1.00 0.00 H new ATOM 0 HG13 VAL A 7 49.675 7.482 19.625 1.00 0.00 H new ATOM 0 HG21 VAL A 7 47.063 8.178 18.170 1.00 0.00 H new ATOM 0 HG22 VAL A 7 48.673 8.314 17.424 1.00 0.00 H new ATOM 0 HG23 VAL A 7 47.409 7.335 16.641 1.00 0.00 H new ATOM 353 N ARG A 8 48.153 3.837 16.665 1.00 0.00 N ATOM 354 CA ARG A 8 47.533 3.059 15.631 1.00 0.00 C ATOM 355 C ARG A 8 46.080 2.788 15.976 1.00 0.00 C ATOM 356 O ARG A 8 45.761 2.421 17.111 1.00 0.00 O ATOM 357 CB ARG A 8 48.303 1.758 15.451 1.00 0.00 C ATOM 358 CG ARG A 8 47.817 0.892 14.311 1.00 0.00 C ATOM 359 CD ARG A 8 48.731 -0.300 14.121 1.00 0.00 C ATOM 360 NE ARG A 8 48.850 -1.098 15.351 1.00 0.00 N ATOM 361 CZ ARG A 8 49.556 -2.231 15.455 1.00 0.00 C ATOM 362 NH1 ARG A 8 50.150 -2.752 14.388 1.00 0.00 N ATOM 363 NH2 ARG A 8 49.653 -2.844 16.629 1.00 0.00 N ATOM 0 H ARG A 8 48.087 3.429 17.597 1.00 0.00 H new ATOM 0 HA ARG A 8 47.555 3.614 14.693 1.00 0.00 H new ATOM 0 HB2 ARG A 8 49.355 1.993 15.289 1.00 0.00 H new ATOM 0 HB3 ARG A 8 48.244 1.185 16.376 1.00 0.00 H new ATOM 0 HG2 ARG A 8 46.802 0.550 14.514 1.00 0.00 H new ATOM 0 HG3 ARG A 8 47.779 1.478 13.393 1.00 0.00 H new ATOM 0 HD2 ARG A 8 48.348 -0.927 13.316 1.00 0.00 H new ATOM 0 HD3 ARG A 8 49.719 0.044 13.814 1.00 0.00 H new ATOM 0 HE ARG A 8 48.361 -0.765 16.182 1.00 0.00 H new ATOM 0 HH11 ARG A 8 50.070 -2.289 13.483 1.00 0.00 H new ATOM 0 HH12 ARG A 8 50.686 -3.615 14.474 1.00 0.00 H new ATOM 0 HH21 ARG A 8 49.190 -2.452 17.449 1.00 0.00 H new ATOM 0 HH22 ARG A 8 50.190 -3.707 16.711 1.00 0.00 H new ATOM 377 N VAL A 9 45.205 2.988 15.007 1.00 0.00 N ATOM 378 CA VAL A 9 43.783 2.768 15.205 1.00 0.00 C ATOM 379 C VAL A 9 43.454 1.292 15.039 1.00 0.00 C ATOM 380 O VAL A 9 43.581 0.739 13.944 1.00 0.00 O ATOM 381 CB VAL A 9 42.944 3.591 14.210 1.00 0.00 C ATOM 382 CG1 VAL A 9 41.464 3.489 14.539 1.00 0.00 C ATOM 383 CG2 VAL A 9 43.398 5.042 14.196 1.00 0.00 C ATOM 0 H VAL A 9 45.456 3.304 14.070 1.00 0.00 H new ATOM 0 HA VAL A 9 43.536 3.091 16.216 1.00 0.00 H new ATOM 0 HB VAL A 9 43.097 3.179 13.213 1.00 0.00 H new ATOM 0 HG11 VAL A 9 40.891 4.078 13.823 1.00 0.00 H new ATOM 0 HG12 VAL A 9 41.150 2.447 14.485 1.00 0.00 H new ATOM 0 HG13 VAL A 9 41.288 3.869 15.545 1.00 0.00 H new ATOM 0 HG21 VAL A 9 42.792 5.606 13.487 1.00 0.00 H new ATOM 0 HG22 VAL A 9 43.282 5.469 15.192 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.446 5.093 13.899 1.00 0.00 H new ATOM 393 N CYS A 10 43.050 0.658 16.121 1.00 0.00 N ATOM 394 CA CYS A 10 42.727 -0.758 16.091 1.00 0.00 C ATOM 395 C CYS A 10 41.225 -0.995 16.147 1.00 0.00 C ATOM 396 O CYS A 10 40.742 -2.060 15.761 1.00 0.00 O ATOM 397 CB CYS A 10 43.430 -1.482 17.233 1.00 0.00 C ATOM 398 SG CYS A 10 45.231 -1.414 17.129 1.00 0.00 S ATOM 0 H CYS A 10 42.937 1.099 17.034 1.00 0.00 H new ATOM 0 HA CYS A 10 43.083 -1.162 15.143 1.00 0.00 H new ATOM 0 HB2 CYS A 10 43.112 -1.045 18.180 1.00 0.00 H new ATOM 0 HB3 CYS A 10 43.114 -2.525 17.241 1.00 0.00 H new ATOM 0 HG CYS A 10 45.748 -1.997 18.170 1.00 0.00 H new ATOM 404 N ARG A 11 40.488 -0.008 16.612 1.00 0.00 N ATOM 405 CA ARG A 11 39.048 -0.121 16.694 1.00 0.00 C ATOM 406 C ARG A 11 38.405 1.238 16.576 1.00 0.00 C ATOM 407 O ARG A 11 39.034 2.251 16.852 1.00 0.00 O ATOM 408 CB ARG A 11 38.617 -0.789 18.008 1.00 0.00 C ATOM 409 CG ARG A 11 39.011 -0.024 19.264 1.00 0.00 C ATOM 410 CD ARG A 11 38.377 -0.637 20.503 1.00 0.00 C ATOM 411 NE ARG A 11 36.911 -0.566 20.461 1.00 0.00 N ATOM 412 CZ ARG A 11 36.095 -1.595 20.731 1.00 0.00 C ATOM 413 NH1 ARG A 11 36.598 -2.779 21.071 1.00 0.00 N ATOM 414 NH2 ARG A 11 34.778 -1.434 20.667 1.00 0.00 N ATOM 0 H ARG A 11 40.863 0.882 16.939 1.00 0.00 H new ATOM 0 HA ARG A 11 38.717 -0.747 15.865 1.00 0.00 H new ATOM 0 HB2 ARG A 11 37.534 -0.915 17.999 1.00 0.00 H new ATOM 0 HB3 ARG A 11 39.053 -1.787 18.054 1.00 0.00 H new ATOM 0 HG2 ARG A 11 40.096 -0.026 19.369 1.00 0.00 H new ATOM 0 HG3 ARG A 11 38.701 1.017 19.171 1.00 0.00 H new ATOM 0 HD2 ARG A 11 38.687 -1.678 20.592 1.00 0.00 H new ATOM 0 HD3 ARG A 11 38.740 -0.119 21.391 1.00 0.00 H new ATOM 0 HE ARG A 11 36.485 0.326 20.210 1.00 0.00 H new ATOM 0 HH11 ARG A 11 37.608 -2.907 21.127 1.00 0.00 H new ATOM 0 HH12 ARG A 11 35.973 -3.559 21.276 1.00 0.00 H new ATOM 0 HH21 ARG A 11 34.387 -0.527 20.412 1.00 0.00 H new ATOM 0 HH22 ARG A 11 34.158 -2.217 20.873 1.00 0.00 H new ATOM 428 N ILE A 12 37.162 1.249 16.149 1.00 0.00 N ATOM 429 CA ILE A 12 36.393 2.469 16.042 1.00 0.00 C ATOM 430 C ILE A 12 35.208 2.388 16.988 1.00 0.00 C ATOM 431 O ILE A 12 34.409 1.450 16.914 1.00 0.00 O ATOM 432 CB ILE A 12 35.884 2.708 14.594 1.00 0.00 C ATOM 433 CG1 ILE A 12 37.057 2.829 13.615 1.00 0.00 C ATOM 434 CG2 ILE A 12 35.011 3.956 14.530 1.00 0.00 C ATOM 435 CD1 ILE A 12 37.946 4.030 13.862 1.00 0.00 C ATOM 0 H ILE A 12 36.655 0.411 15.866 1.00 0.00 H new ATOM 0 HA ILE A 12 37.041 3.305 16.306 1.00 0.00 H new ATOM 0 HB ILE A 12 35.282 1.847 14.303 1.00 0.00 H new ATOM 0 HG12 ILE A 12 37.662 1.924 13.675 1.00 0.00 H new ATOM 0 HG13 ILE A 12 36.665 2.883 12.599 1.00 0.00 H new ATOM 0 HG21 ILE A 12 34.665 4.106 13.507 1.00 0.00 H new ATOM 0 HG22 ILE A 12 34.152 3.833 15.190 1.00 0.00 H new ATOM 0 HG23 ILE A 12 35.591 4.823 14.847 1.00 0.00 H new ATOM 0 HD11 ILE A 12 38.752 4.044 13.128 1.00 0.00 H new ATOM 0 HD12 ILE A 12 37.357 4.943 13.772 1.00 0.00 H new ATOM 0 HD13 ILE A 12 38.370 3.969 14.864 1.00 0.00 H new ATOM 447 N ARG A 13 35.113 3.342 17.892 1.00 0.00 N ATOM 448 CA ARG A 13 34.034 3.360 18.870 1.00 0.00 C ATOM 449 C ARG A 13 32.685 3.643 18.224 1.00 0.00 C ATOM 450 O ARG A 13 31.648 3.170 18.697 1.00 0.00 O ATOM 451 CB ARG A 13 34.312 4.380 19.965 1.00 0.00 C ATOM 452 CG ARG A 13 35.533 4.065 20.802 1.00 0.00 C ATOM 453 CD ARG A 13 35.579 4.935 22.040 1.00 0.00 C ATOM 454 NE ARG A 13 34.449 4.664 22.933 1.00 0.00 N ATOM 455 CZ ARG A 13 33.743 5.598 23.576 1.00 0.00 C ATOM 456 NH1 ARG A 13 34.010 6.886 23.395 1.00 0.00 N ATOM 457 NH2 ARG A 13 32.760 5.235 24.392 1.00 0.00 N ATOM 0 H ARG A 13 35.770 4.118 17.973 1.00 0.00 H new ATOM 0 HA ARG A 13 33.990 2.365 19.314 1.00 0.00 H new ATOM 0 HB2 ARG A 13 34.440 5.362 19.509 1.00 0.00 H new ATOM 0 HB3 ARG A 13 33.442 4.443 20.619 1.00 0.00 H new ATOM 0 HG2 ARG A 13 35.519 3.014 21.092 1.00 0.00 H new ATOM 0 HG3 ARG A 13 36.435 4.221 20.210 1.00 0.00 H new ATOM 0 HD2 ARG A 13 36.514 4.761 22.573 1.00 0.00 H new ATOM 0 HD3 ARG A 13 35.569 5.985 21.748 1.00 0.00 H new ATOM 0 HE ARG A 13 34.182 3.690 23.074 1.00 0.00 H new ATOM 0 HH11 ARG A 13 34.758 7.168 22.762 1.00 0.00 H new ATOM 0 HH12 ARG A 13 33.467 7.594 23.889 1.00 0.00 H new ATOM 0 HH21 ARG A 13 32.547 4.246 24.526 1.00 0.00 H new ATOM 0 HH22 ARG A 13 32.218 5.945 24.885 1.00 0.00 H new ATOM 471 N ASP A 14 32.697 4.415 17.157 1.00 0.00 N ATOM 472 CA ASP A 14 31.468 4.747 16.449 1.00 0.00 C ATOM 473 C ASP A 14 31.362 3.884 15.189 1.00 0.00 C ATOM 474 O ASP A 14 32.080 2.893 15.049 1.00 0.00 O ATOM 475 CB ASP A 14 31.454 6.239 16.084 1.00 0.00 C ATOM 476 CG ASP A 14 30.049 6.820 15.999 1.00 0.00 C ATOM 477 OD1 ASP A 14 29.127 6.116 15.527 1.00 0.00 O ATOM 478 OD2 ASP A 14 29.859 7.976 16.413 1.00 0.00 O ATOM 0 H ASP A 14 33.541 4.826 16.758 1.00 0.00 H new ATOM 0 HA ASP A 14 30.611 4.546 17.092 1.00 0.00 H new ATOM 0 HB2 ASP A 14 32.026 6.794 16.827 1.00 0.00 H new ATOM 0 HB3 ASP A 14 31.957 6.377 15.127 1.00 0.00 H new ATOM 483 N ARG A 15 30.468 4.244 14.287 1.00 0.00 N ATOM 484 CA ARG A 15 30.314 3.513 13.043 1.00 0.00 C ATOM 485 C ARG A 15 31.488 3.824 12.116 1.00 0.00 C ATOM 486 O ARG A 15 32.046 4.924 12.166 1.00 0.00 O ATOM 487 CB ARG A 15 28.959 3.848 12.367 1.00 0.00 C ATOM 488 CG ARG A 15 28.970 5.028 11.378 1.00 0.00 C ATOM 489 CD ARG A 15 29.284 6.372 12.040 1.00 0.00 C ATOM 490 NE ARG A 15 28.356 6.707 13.123 1.00 0.00 N ATOM 491 CZ ARG A 15 27.273 7.478 12.997 1.00 0.00 C ATOM 492 NH1 ARG A 15 26.906 7.939 11.804 1.00 0.00 N ATOM 493 NH2 ARG A 15 26.554 7.782 14.072 1.00 0.00 N ATOM 0 H ARG A 15 29.837 5.039 14.393 1.00 0.00 H new ATOM 0 HA ARG A 15 30.313 2.444 13.257 1.00 0.00 H new ATOM 0 HB2 ARG A 15 28.610 2.961 11.839 1.00 0.00 H new ATOM 0 HB3 ARG A 15 28.229 4.061 13.148 1.00 0.00 H new ATOM 0 HG2 ARG A 15 29.708 4.833 10.600 1.00 0.00 H new ATOM 0 HG3 ARG A 15 27.999 5.091 10.888 1.00 0.00 H new ATOM 0 HD2 ARG A 15 30.300 6.348 12.434 1.00 0.00 H new ATOM 0 HD3 ARG A 15 29.253 7.158 11.286 1.00 0.00 H new ATOM 0 HE ARG A 15 28.553 6.321 14.046 1.00 0.00 H new ATOM 0 HH11 ARG A 15 27.453 7.704 10.976 1.00 0.00 H new ATOM 0 HH12 ARG A 15 26.077 8.527 11.717 1.00 0.00 H new ATOM 0 HH21 ARG A 15 26.830 7.427 14.987 1.00 0.00 H new ATOM 0 HH22 ARG A 15 25.726 8.371 13.982 1.00 0.00 H new ATOM 507 N VAL A 16 31.874 2.874 11.289 1.00 0.00 N ATOM 508 CA VAL A 16 32.997 3.096 10.400 1.00 0.00 C ATOM 509 C VAL A 16 32.604 3.942 9.199 1.00 0.00 C ATOM 510 O VAL A 16 31.798 3.539 8.360 1.00 0.00 O ATOM 511 CB VAL A 16 33.653 1.773 9.922 1.00 0.00 C ATOM 512 CG1 VAL A 16 34.414 1.120 11.058 1.00 0.00 C ATOM 513 CG2 VAL A 16 32.613 0.812 9.362 1.00 0.00 C ATOM 0 H VAL A 16 31.436 1.956 11.213 1.00 0.00 H new ATOM 0 HA VAL A 16 33.737 3.640 10.987 1.00 0.00 H new ATOM 0 HB VAL A 16 34.353 2.016 9.122 1.00 0.00 H new ATOM 0 HG11 VAL A 16 34.868 0.193 10.707 1.00 0.00 H new ATOM 0 HG12 VAL A 16 35.194 1.796 11.409 1.00 0.00 H new ATOM 0 HG13 VAL A 16 33.728 0.900 11.876 1.00 0.00 H new ATOM 0 HG21 VAL A 16 33.103 -0.105 9.036 1.00 0.00 H new ATOM 0 HG22 VAL A 16 31.881 0.577 10.135 1.00 0.00 H new ATOM 0 HG23 VAL A 16 32.109 1.275 8.514 1.00 0.00 H new ATOM 523 N ALA A 17 33.172 5.124 9.136 1.00 0.00 N ATOM 524 CA ALA A 17 32.959 6.016 8.027 1.00 0.00 C ATOM 525 C ALA A 17 33.937 5.680 6.917 1.00 0.00 C ATOM 526 O ALA A 17 34.893 4.929 7.140 1.00 0.00 O ATOM 527 CB ALA A 17 33.112 7.464 8.472 1.00 0.00 C ATOM 0 H ALA A 17 33.795 5.492 9.855 1.00 0.00 H new ATOM 0 HA ALA A 17 31.944 5.891 7.650 1.00 0.00 H new ATOM 0 HB1 ALA A 17 32.948 8.125 7.621 1.00 0.00 H new ATOM 0 HB2 ALA A 17 32.381 7.685 9.250 1.00 0.00 H new ATOM 0 HB3 ALA A 17 34.117 7.620 8.864 1.00 0.00 H new ATOM 533 N GLN A 18 33.721 6.249 5.744 1.00 0.00 N ATOM 534 CA GLN A 18 34.562 5.982 4.579 1.00 0.00 C ATOM 535 C GLN A 18 36.034 6.307 4.853 1.00 0.00 C ATOM 536 O GLN A 18 36.925 5.631 4.354 1.00 0.00 O ATOM 537 CB GLN A 18 34.060 6.785 3.370 1.00 0.00 C ATOM 538 CG GLN A 18 34.863 6.567 2.093 1.00 0.00 C ATOM 539 CD GLN A 18 34.812 5.132 1.603 1.00 0.00 C ATOM 540 OE1 GLN A 18 33.820 4.426 1.802 1.00 0.00 O ATOM 541 NE2 GLN A 18 35.879 4.691 0.967 1.00 0.00 N ATOM 0 H GLN A 18 32.962 6.907 5.567 1.00 0.00 H new ATOM 0 HA GLN A 18 34.494 4.916 4.360 1.00 0.00 H new ATOM 0 HB2 GLN A 18 33.020 6.521 3.180 1.00 0.00 H new ATOM 0 HB3 GLN A 18 34.079 7.846 3.620 1.00 0.00 H new ATOM 0 HG2 GLN A 18 34.482 7.226 1.313 1.00 0.00 H new ATOM 0 HG3 GLN A 18 35.901 6.849 2.270 1.00 0.00 H new ATOM 0 HE21 GLN A 18 36.678 5.308 0.823 1.00 0.00 H new ATOM 0 HE22 GLN A 18 35.905 3.733 0.618 1.00 0.00 H new ATOM 550 N ASP A 19 36.277 7.324 5.662 1.00 0.00 N ATOM 551 CA ASP A 19 37.645 7.753 5.947 1.00 0.00 C ATOM 552 C ASP A 19 38.276 6.957 7.085 1.00 0.00 C ATOM 553 O ASP A 19 39.371 6.416 6.939 1.00 0.00 O ATOM 554 CB ASP A 19 37.688 9.237 6.288 1.00 0.00 C ATOM 555 CG ASP A 19 39.107 9.754 6.412 1.00 0.00 C ATOM 556 OD1 ASP A 19 39.681 10.186 5.383 1.00 0.00 O ATOM 557 OD2 ASP A 19 39.659 9.736 7.535 1.00 0.00 O ATOM 0 H ASP A 19 35.554 7.868 6.133 1.00 0.00 H new ATOM 0 HA ASP A 19 38.222 7.567 5.041 1.00 0.00 H new ATOM 0 HB2 ASP A 19 37.164 9.801 5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 19 37.157 9.409 7.224 1.00 0.00 H new ATOM 562 N ILE A 20 37.584 6.878 8.213 1.00 0.00 N ATOM 563 CA ILE A 20 38.143 6.227 9.399 1.00 0.00 C ATOM 564 C ILE A 20 38.319 4.716 9.229 1.00 0.00 C ATOM 565 O ILE A 20 39.069 4.094 9.972 1.00 0.00 O ATOM 566 CB ILE A 20 37.334 6.533 10.681 1.00 0.00 C ATOM 567 CG1 ILE A 20 35.904 6.013 10.564 1.00 0.00 C ATOM 568 CG2 ILE A 20 37.345 8.031 10.963 1.00 0.00 C ATOM 569 CD1 ILE A 20 35.048 6.313 11.778 1.00 0.00 C ATOM 0 H ILE A 20 36.643 7.251 8.336 1.00 0.00 H new ATOM 0 HA ILE A 20 39.136 6.660 9.515 1.00 0.00 H new ATOM 0 HB ILE A 20 37.806 6.018 11.517 1.00 0.00 H new ATOM 0 HG12 ILE A 20 35.437 6.453 9.683 1.00 0.00 H new ATOM 0 HG13 ILE A 20 35.930 4.935 10.406 1.00 0.00 H new ATOM 0 HG21 ILE A 20 36.772 8.235 11.868 1.00 0.00 H new ATOM 0 HG22 ILE A 20 38.373 8.368 11.100 1.00 0.00 H new ATOM 0 HG23 ILE A 20 36.898 8.563 10.123 1.00 0.00 H new ATOM 0 HD11 ILE A 20 34.045 5.914 11.624 1.00 0.00 H new ATOM 0 HD12 ILE A 20 35.491 5.850 12.659 1.00 0.00 H new ATOM 0 HD13 ILE A 20 34.991 7.391 11.925 1.00 0.00 H new ATOM 581 N ILE A 21 37.642 4.125 8.248 1.00 0.00 N ATOM 582 CA ILE A 21 37.811 2.699 7.987 1.00 0.00 C ATOM 583 C ILE A 21 39.185 2.450 7.347 1.00 0.00 C ATOM 584 O ILE A 21 39.759 1.368 7.462 1.00 0.00 O ATOM 585 CB ILE A 21 36.683 2.128 7.082 1.00 0.00 C ATOM 586 CG1 ILE A 21 36.777 0.600 7.013 1.00 0.00 C ATOM 587 CG2 ILE A 21 36.746 2.731 5.684 1.00 0.00 C ATOM 588 CD1 ILE A 21 35.649 -0.049 6.247 1.00 0.00 C ATOM 0 H ILE A 21 36.983 4.601 7.631 1.00 0.00 H new ATOM 0 HA ILE A 21 37.749 2.177 8.942 1.00 0.00 H new ATOM 0 HB ILE A 21 35.724 2.399 7.523 1.00 0.00 H new ATOM 0 HG12 ILE A 21 37.724 0.325 6.549 1.00 0.00 H new ATOM 0 HG13 ILE A 21 36.791 0.201 8.027 1.00 0.00 H new ATOM 0 HG21 ILE A 21 35.946 2.314 5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 21 36.628 3.813 5.749 1.00 0.00 H new ATOM 0 HG23 ILE A 21 37.709 2.498 5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 21 35.787 -1.130 6.243 1.00 0.00 H new ATOM 0 HD12 ILE A 21 34.699 0.194 6.723 1.00 0.00 H new ATOM 0 HD13 ILE A 21 35.646 0.320 5.221 1.00 0.00 H new ATOM 600 N GLN A 22 39.710 3.484 6.701 1.00 0.00 N ATOM 601 CA GLN A 22 41.030 3.437 6.086 1.00 0.00 C ATOM 602 C GLN A 22 42.082 3.572 7.166 1.00 0.00 C ATOM 603 O GLN A 22 43.224 3.130 7.021 1.00 0.00 O ATOM 604 CB GLN A 22 41.177 4.595 5.103 1.00 0.00 C ATOM 605 CG GLN A 22 40.135 4.612 4.001 1.00 0.00 C ATOM 606 CD GLN A 22 40.174 5.886 3.183 1.00 0.00 C ATOM 607 OE1 GLN A 22 41.233 6.501 3.009 1.00 0.00 O ATOM 608 NE2 GLN A 22 39.027 6.306 2.698 1.00 0.00 N ATOM 0 H GLN A 22 39.233 4.378 6.589 1.00 0.00 H new ATOM 0 HA GLN A 22 41.153 2.491 5.558 1.00 0.00 H new ATOM 0 HB2 GLN A 22 41.122 5.534 5.654 1.00 0.00 H new ATOM 0 HB3 GLN A 22 42.167 4.549 4.650 1.00 0.00 H new ATOM 0 HG2 GLN A 22 40.293 3.757 3.343 1.00 0.00 H new ATOM 0 HG3 GLN A 22 39.144 4.497 4.441 1.00 0.00 H new ATOM 0 HE21 GLN A 22 38.176 5.769 2.864 1.00 0.00 H new ATOM 0 HE22 GLN A 22 38.988 7.169 2.155 1.00 0.00 H new ATOM 617 N LYS A 23 41.668 4.183 8.261 1.00 0.00 N ATOM 618 CA LYS A 23 42.532 4.441 9.385 1.00 0.00 C ATOM 619 C LYS A 23 42.684 3.198 10.253 1.00 0.00 C ATOM 620 O LYS A 23 43.570 3.128 11.103 1.00 0.00 O ATOM 621 CB LYS A 23 41.981 5.617 10.188 1.00 0.00 C ATOM 622 CG LYS A 23 41.848 6.876 9.366 1.00 0.00 C ATOM 623 CD LYS A 23 43.191 7.488 9.122 1.00 0.00 C ATOM 624 CE LYS A 23 43.152 8.497 8.009 1.00 0.00 C ATOM 625 NZ LYS A 23 42.192 9.607 8.259 1.00 0.00 N ATOM 0 H LYS A 23 40.712 4.515 8.391 1.00 0.00 H new ATOM 0 HA LYS A 23 43.526 4.700 9.021 1.00 0.00 H new ATOM 0 HB2 LYS A 23 41.005 5.349 10.594 1.00 0.00 H new ATOM 0 HB3 LYS A 23 42.637 5.810 11.037 1.00 0.00 H new ATOM 0 HG2 LYS A 23 41.368 6.647 8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 23 41.206 7.589 9.883 1.00 0.00 H new ATOM 0 HD2 LYS A 23 43.543 7.968 10.035 1.00 0.00 H new ATOM 0 HD3 LYS A 23 43.908 6.705 8.877 1.00 0.00 H new ATOM 0 HE2 LYS A 23 44.150 8.913 7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 23 42.883 7.994 7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 42.449 10.427 7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 41.230 9.295 8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 42.226 9.876 9.263 1.00 0.00 H new ATOM 639 N LEU A 24 41.816 2.215 10.028 1.00 0.00 N ATOM 640 CA LEU A 24 41.909 0.945 10.730 1.00 0.00 C ATOM 641 C LEU A 24 43.184 0.233 10.329 1.00 0.00 C ATOM 642 O LEU A 24 43.324 -0.217 9.190 1.00 0.00 O ATOM 643 CB LEU A 24 40.698 0.056 10.431 1.00 0.00 C ATOM 644 CG LEU A 24 39.405 0.416 11.159 1.00 0.00 C ATOM 645 CD1 LEU A 24 38.268 -0.476 10.690 1.00 0.00 C ATOM 646 CD2 LEU A 24 39.593 0.285 12.664 1.00 0.00 C ATOM 0 H LEU A 24 41.043 2.276 9.366 1.00 0.00 H new ATOM 0 HA LEU A 24 41.923 1.146 11.801 1.00 0.00 H new ATOM 0 HB2 LEU A 24 40.507 0.085 9.358 1.00 0.00 H new ATOM 0 HB3 LEU A 24 40.957 -0.973 10.681 1.00 0.00 H new ATOM 0 HG LEU A 24 39.152 1.451 10.928 1.00 0.00 H new ATOM 0 HD11 LEU A 24 37.353 -0.207 11.218 1.00 0.00 H new ATOM 0 HD12 LEU A 24 38.120 -0.344 9.618 1.00 0.00 H new ATOM 0 HD13 LEU A 24 38.514 -1.518 10.897 1.00 0.00 H new ATOM 0 HD21 LEU A 24 38.664 0.545 13.171 1.00 0.00 H new ATOM 0 HD22 LEU A 24 39.865 -0.742 12.909 1.00 0.00 H new ATOM 0 HD23 LEU A 24 40.385 0.958 12.992 1.00 0.00 H new ATOM 658 N GLY A 25 44.114 0.155 11.252 1.00 0.00 N ATOM 659 CA GLY A 25 45.378 -0.464 10.964 1.00 0.00 C ATOM 660 C GLY A 25 46.386 0.531 10.433 1.00 0.00 C ATOM 661 O GLY A 25 47.486 0.155 10.031 1.00 0.00 O ATOM 0 H GLY A 25 44.016 0.512 12.203 1.00 0.00 H new ATOM 0 HA2 GLY A 25 45.769 -0.929 11.869 1.00 0.00 H new ATOM 0 HA3 GLY A 25 45.234 -1.260 10.233 1.00 0.00 H new ATOM 665 N GLN A 26 46.011 1.802 10.409 1.00 0.00 N ATOM 666 CA GLN A 26 46.907 2.845 9.943 1.00 0.00 C ATOM 667 C GLN A 26 47.604 3.497 11.130 1.00 0.00 C ATOM 668 O GLN A 26 46.980 3.752 12.167 1.00 0.00 O ATOM 669 CB GLN A 26 46.152 3.889 9.095 1.00 0.00 C ATOM 670 CG GLN A 26 47.059 4.758 8.231 1.00 0.00 C ATOM 671 CD GLN A 26 46.284 5.706 7.329 1.00 0.00 C ATOM 672 OE1 GLN A 26 45.960 5.255 6.130 1.00 0.00 O flip ATOM 673 NE2 GLN A 26 45.984 6.833 7.708 1.00 0.00 N flip ATOM 0 H GLN A 26 45.093 2.133 10.707 1.00 0.00 H new ATOM 0 HA GLN A 26 47.664 2.394 9.301 1.00 0.00 H new ATOM 0 HB2 GLN A 26 45.440 3.373 8.451 1.00 0.00 H new ATOM 0 HB3 GLN A 26 45.574 4.532 9.759 1.00 0.00 H new ATOM 0 HG2 GLN A 26 47.721 5.337 8.875 1.00 0.00 H new ATOM 0 HG3 GLN A 26 47.692 4.117 7.618 1.00 0.00 H new ATOM 0 HE21 GLN A 26 46.252 7.145 8.641 1.00 0.00 H new ATOM 0 HE22 GLN A 26 45.466 7.458 7.090 1.00 0.00 H new ATOM 682 N VAL A 27 48.897 3.733 10.991 1.00 0.00 N ATOM 683 CA VAL A 27 49.684 4.329 12.055 1.00 0.00 C ATOM 684 C VAL A 27 49.884 5.825 11.802 1.00 0.00 C ATOM 685 O VAL A 27 50.277 6.228 10.704 1.00 0.00 O ATOM 686 CB VAL A 27 51.071 3.653 12.176 1.00 0.00 C ATOM 687 CG1 VAL A 27 51.901 4.312 13.269 1.00 0.00 C ATOM 688 CG2 VAL A 27 50.920 2.166 12.447 1.00 0.00 C ATOM 0 H VAL A 27 49.426 3.519 10.146 1.00 0.00 H new ATOM 0 HA VAL A 27 49.135 4.181 12.985 1.00 0.00 H new ATOM 0 HB VAL A 27 51.593 3.780 11.228 1.00 0.00 H new ATOM 0 HG11 VAL A 27 52.871 3.820 13.335 1.00 0.00 H new ATOM 0 HG12 VAL A 27 52.044 5.366 13.032 1.00 0.00 H new ATOM 0 HG13 VAL A 27 51.383 4.222 14.224 1.00 0.00 H new ATOM 0 HG21 VAL A 27 51.906 1.709 12.529 1.00 0.00 H new ATOM 0 HG22 VAL A 27 50.374 2.020 13.379 1.00 0.00 H new ATOM 0 HG23 VAL A 27 50.371 1.701 11.628 1.00 0.00 H new ATOM 698 N GLY A 28 49.616 6.634 12.810 1.00 0.00 N ATOM 699 CA GLY A 28 49.793 8.064 12.683 1.00 0.00 C ATOM 700 C GLY A 28 50.488 8.640 13.891 1.00 0.00 C ATOM 701 O GLY A 28 50.717 7.934 14.858 1.00 0.00 O ATOM 0 H GLY A 28 49.277 6.325 13.721 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.375 8.282 11.788 1.00 0.00 H new ATOM 0 HA3 GLY A 28 48.822 8.543 12.557 1.00 0.00 H new ATOM 705 N GLN A 29 50.802 9.918 13.850 1.00 0.00 N ATOM 706 CA GLN A 29 51.520 10.556 14.944 1.00 0.00 C ATOM 707 C GLN A 29 50.634 11.542 15.702 1.00 0.00 C ATOM 708 O GLN A 29 49.863 12.289 15.100 1.00 0.00 O ATOM 709 CB GLN A 29 52.762 11.261 14.407 1.00 0.00 C ATOM 710 CG GLN A 29 53.580 11.975 15.465 1.00 0.00 C ATOM 711 CD GLN A 29 54.837 12.579 14.894 1.00 0.00 C ATOM 712 OE1 GLN A 29 54.833 13.717 14.428 1.00 0.00 O ATOM 713 NE2 GLN A 29 55.915 11.832 14.927 1.00 0.00 N ATOM 0 H GLN A 29 50.574 10.539 13.074 1.00 0.00 H new ATOM 0 HA GLN A 29 51.821 9.780 15.648 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.395 10.527 13.909 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.457 11.984 13.651 1.00 0.00 H new ATOM 0 HG2 GLN A 29 52.976 12.759 15.922 1.00 0.00 H new ATOM 0 HG3 GLN A 29 53.842 11.272 16.256 1.00 0.00 H new ATOM 0 HE21 GLN A 29 55.873 10.893 15.323 1.00 0.00 H new ATOM 0 HE22 GLN A 29 56.795 12.190 14.557 1.00 0.00 H new ATOM 722 N ILE A 30 50.751 11.532 17.026 1.00 0.00 N ATOM 723 CA ILE A 30 49.995 12.439 17.879 1.00 0.00 C ATOM 724 C ILE A 30 50.551 13.848 17.758 1.00 0.00 C ATOM 725 O ILE A 30 51.694 14.107 18.145 1.00 0.00 O ATOM 726 CB ILE A 30 50.064 12.011 19.366 1.00 0.00 C ATOM 727 CG1 ILE A 30 49.548 10.581 19.544 1.00 0.00 C ATOM 728 CG2 ILE A 30 49.271 12.982 20.240 1.00 0.00 C ATOM 729 CD1 ILE A 30 49.613 10.082 20.975 1.00 0.00 C ATOM 0 H ILE A 30 51.369 10.899 17.534 1.00 0.00 H new ATOM 0 HA ILE A 30 48.956 12.407 17.550 1.00 0.00 H new ATOM 0 HB ILE A 30 51.107 12.037 19.681 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.516 10.531 19.198 1.00 0.00 H new ATOM 0 HG13 ILE A 30 50.130 9.913 18.909 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.330 12.666 21.281 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.688 13.984 20.141 1.00 0.00 H new ATOM 0 HG23 ILE A 30 48.228 12.989 19.922 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.231 9.062 21.022 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.647 10.098 21.319 1.00 0.00 H new ATOM 0 HD13 ILE A 30 49.008 10.726 21.613 1.00 0.00 H new ATOM 741 N THR A 31 49.758 14.748 17.220 1.00 0.00 N ATOM 742 CA THR A 31 50.180 16.119 17.049 1.00 0.00 C ATOM 743 C THR A 31 49.413 17.055 17.977 1.00 0.00 C ATOM 744 O THR A 31 49.573 18.279 17.921 1.00 0.00 O ATOM 745 CB THR A 31 49.998 16.566 15.602 1.00 0.00 C ATOM 746 OG1 THR A 31 48.658 16.286 15.175 1.00 0.00 O ATOM 747 CG2 THR A 31 50.992 15.855 14.691 1.00 0.00 C ATOM 0 H THR A 31 48.812 14.553 16.892 1.00 0.00 H new ATOM 0 HA THR A 31 51.238 16.168 17.306 1.00 0.00 H new ATOM 0 HB THR A 31 50.181 17.639 15.542 1.00 0.00 H new ATOM 0 HG1 THR A 31 48.679 15.838 14.304 1.00 0.00 H new ATOM 0 HG21 THR A 31 50.846 16.188 13.663 1.00 0.00 H new ATOM 0 HG22 THR A 31 52.008 16.090 15.007 1.00 0.00 H new ATOM 0 HG23 THR A 31 50.834 14.778 14.750 1.00 0.00 H new ATOM 755 N GLY A 32 48.582 16.475 18.826 1.00 0.00 N ATOM 756 CA GLY A 32 47.815 17.256 19.766 1.00 0.00 C ATOM 757 C GLY A 32 46.607 16.505 20.262 1.00 0.00 C ATOM 758 O GLY A 32 46.268 15.448 19.732 1.00 0.00 O ATOM 0 H GLY A 32 48.425 15.469 18.880 1.00 0.00 H new ATOM 0 HA2 GLY A 32 48.446 17.529 20.612 1.00 0.00 H new ATOM 0 HA3 GLY A 32 47.497 18.185 19.293 1.00 0.00 H new ATOM 762 N PHE A 33 45.962 17.033 21.280 1.00 0.00 N ATOM 763 CA PHE A 33 44.778 16.404 21.835 1.00 0.00 C ATOM 764 C PHE A 33 43.552 17.276 21.613 1.00 0.00 C ATOM 765 O PHE A 33 43.630 18.505 21.693 1.00 0.00 O ATOM 766 CB PHE A 33 44.966 16.113 23.325 1.00 0.00 C ATOM 767 CG PHE A 33 46.035 15.092 23.613 1.00 0.00 C ATOM 768 CD1 PHE A 33 45.735 13.740 23.619 1.00 0.00 C ATOM 769 CD2 PHE A 33 47.339 15.484 23.873 1.00 0.00 C ATOM 770 CE1 PHE A 33 46.712 12.800 23.881 1.00 0.00 C ATOM 771 CE2 PHE A 33 48.320 14.548 24.137 1.00 0.00 C ATOM 772 CZ PHE A 33 48.005 13.204 24.140 1.00 0.00 C ATOM 0 H PHE A 33 46.237 17.899 21.743 1.00 0.00 H new ATOM 0 HA PHE A 33 44.624 15.457 21.318 1.00 0.00 H new ATOM 0 HB2 PHE A 33 45.215 17.041 23.839 1.00 0.00 H new ATOM 0 HB3 PHE A 33 44.021 15.763 23.740 1.00 0.00 H new ATOM 0 HD1 PHE A 33 44.725 13.417 23.416 1.00 0.00 H new ATOM 0 HD2 PHE A 33 47.591 16.534 23.869 1.00 0.00 H new ATOM 0 HE1 PHE A 33 46.464 11.749 23.883 1.00 0.00 H new ATOM 0 HE2 PHE A 33 49.331 14.867 24.341 1.00 0.00 H new ATOM 0 HZ PHE A 33 48.770 12.470 24.345 1.00 0.00 H new ATOM 782 N LYS A 34 42.433 16.636 21.346 1.00 0.00 N ATOM 783 CA LYS A 34 41.189 17.325 21.077 1.00 0.00 C ATOM 784 C LYS A 34 40.206 17.092 22.217 1.00 0.00 C ATOM 785 O LYS A 34 40.025 15.960 22.666 1.00 0.00 O ATOM 786 CB LYS A 34 40.583 16.812 19.768 1.00 0.00 C ATOM 787 CG LYS A 34 39.397 17.615 19.281 1.00 0.00 C ATOM 788 CD LYS A 34 38.666 16.896 18.163 1.00 0.00 C ATOM 789 CE LYS A 34 37.315 17.534 17.870 1.00 0.00 C ATOM 790 NZ LYS A 34 37.442 18.904 17.318 1.00 0.00 N ATOM 0 H LYS A 34 42.361 15.619 21.309 1.00 0.00 H new ATOM 0 HA LYS A 34 41.390 18.393 20.989 1.00 0.00 H new ATOM 0 HB2 LYS A 34 41.353 16.817 18.997 1.00 0.00 H new ATOM 0 HB3 LYS A 34 40.275 15.775 19.904 1.00 0.00 H new ATOM 0 HG2 LYS A 34 38.712 17.795 20.110 1.00 0.00 H new ATOM 0 HG3 LYS A 34 39.735 18.590 18.929 1.00 0.00 H new ATOM 0 HD2 LYS A 34 39.278 16.909 17.261 1.00 0.00 H new ATOM 0 HD3 LYS A 34 38.523 15.850 18.436 1.00 0.00 H new ATOM 0 HE2 LYS A 34 36.768 16.910 17.163 1.00 0.00 H new ATOM 0 HE3 LYS A 34 36.726 17.568 18.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 36.495 19.294 17.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 37.940 19.509 18.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 37.980 18.871 16.429 1.00 0.00 H new ATOM 804 N MET A 35 39.571 18.149 22.676 1.00 0.00 N ATOM 805 CA MET A 35 38.619 18.038 23.766 1.00 0.00 C ATOM 806 C MET A 35 37.292 17.469 23.269 1.00 0.00 C ATOM 807 O MET A 35 36.857 17.760 22.154 1.00 0.00 O ATOM 808 CB MET A 35 38.394 19.396 24.451 1.00 0.00 C ATOM 809 CG MET A 35 37.651 20.417 23.599 1.00 0.00 C ATOM 810 SD MET A 35 37.413 21.987 24.453 1.00 0.00 S ATOM 811 CE MET A 35 36.448 22.886 23.241 1.00 0.00 C ATOM 0 H MET A 35 39.695 19.094 22.314 1.00 0.00 H new ATOM 0 HA MET A 35 39.039 17.353 24.502 1.00 0.00 H new ATOM 0 HB2 MET A 35 37.835 19.236 25.373 1.00 0.00 H new ATOM 0 HB3 MET A 35 39.362 19.812 24.733 1.00 0.00 H new ATOM 0 HG2 MET A 35 38.207 20.589 22.677 1.00 0.00 H new ATOM 0 HG3 MET A 35 36.680 20.011 23.315 1.00 0.00 H new ATOM 0 HE1 MET A 35 36.220 23.881 23.623 1.00 0.00 H new ATOM 0 HE2 MET A 35 37.017 22.974 22.316 1.00 0.00 H new ATOM 0 HE3 MET A 35 35.519 22.350 23.046 1.00 0.00 H new ATOM 821 N THR A 36 36.677 16.650 24.090 1.00 0.00 N ATOM 822 CA THR A 36 35.399 16.052 23.770 1.00 0.00 C ATOM 823 C THR A 36 34.501 16.090 24.992 1.00 0.00 C ATOM 824 O THR A 36 34.979 15.960 26.125 1.00 0.00 O ATOM 825 CB THR A 36 35.558 14.577 23.290 1.00 0.00 C ATOM 826 OG1 THR A 36 34.274 13.957 23.144 1.00 0.00 O ATOM 827 CG2 THR A 36 36.400 13.775 24.271 1.00 0.00 C ATOM 0 H THR A 36 37.048 16.378 25.000 1.00 0.00 H new ATOM 0 HA THR A 36 34.954 16.626 22.957 1.00 0.00 H new ATOM 0 HB THR A 36 36.063 14.593 22.324 1.00 0.00 H new ATOM 0 HG1 THR A 36 34.081 13.414 23.937 1.00 0.00 H new ATOM 0 HG21 THR A 36 36.496 12.750 23.914 1.00 0.00 H new ATOM 0 HG22 THR A 36 37.389 14.225 24.354 1.00 0.00 H new ATOM 0 HG23 THR A 36 35.918 13.775 25.249 1.00 0.00 H new ATOM 835 N ASP A 37 33.221 16.304 24.779 1.00 0.00 N ATOM 836 CA ASP A 37 32.276 16.297 25.873 1.00 0.00 C ATOM 837 C ASP A 37 31.784 14.883 26.093 1.00 0.00 C ATOM 838 O ASP A 37 30.877 14.412 25.407 1.00 0.00 O ATOM 839 CB ASP A 37 31.104 17.238 25.606 1.00 0.00 C ATOM 840 CG ASP A 37 30.120 17.263 26.756 1.00 0.00 C ATOM 841 OD1 ASP A 37 30.488 17.753 27.848 1.00 0.00 O ATOM 842 OD2 ASP A 37 28.972 16.796 26.573 1.00 0.00 O ATOM 0 H ASP A 37 32.812 16.484 23.862 1.00 0.00 H new ATOM 0 HA ASP A 37 32.778 16.655 26.772 1.00 0.00 H new ATOM 0 HB2 ASP A 37 31.481 18.245 25.430 1.00 0.00 H new ATOM 0 HB3 ASP A 37 30.590 16.927 24.696 1.00 0.00 H new ATOM 847 N GLY A 38 32.410 14.200 27.025 1.00 0.00 N ATOM 848 CA GLY A 38 32.088 12.821 27.277 1.00 0.00 C ATOM 849 C GLY A 38 33.131 11.913 26.673 1.00 0.00 C ATOM 850 O GLY A 38 33.787 12.291 25.694 1.00 0.00 O ATOM 0 H GLY A 38 33.146 14.581 27.620 1.00 0.00 H new ATOM 0 HA2 GLY A 38 32.025 12.647 28.351 1.00 0.00 H new ATOM 0 HA3 GLY A 38 31.109 12.588 26.858 1.00 0.00 H new ATOM 854 N SER A 39 33.296 10.720 27.254 1.00 0.00 N ATOM 855 CA SER A 39 34.302 9.751 26.801 1.00 0.00 C ATOM 856 C SER A 39 35.718 10.252 27.104 1.00 0.00 C ATOM 857 O SER A 39 35.901 11.345 27.662 1.00 0.00 O ATOM 858 CB SER A 39 34.156 9.462 25.297 1.00 0.00 C ATOM 859 OG SER A 39 32.874 8.918 24.999 1.00 0.00 O ATOM 0 H SER A 39 32.740 10.399 28.047 1.00 0.00 H new ATOM 0 HA SER A 39 34.135 8.823 27.348 1.00 0.00 H new ATOM 0 HB2 SER A 39 34.304 10.382 24.731 1.00 0.00 H new ATOM 0 HB3 SER A 39 34.932 8.765 24.981 1.00 0.00 H new ATOM 0 HG SER A 39 32.604 9.191 24.097 1.00 0.00 H new ATOM 865 N GLY A 40 36.712 9.446 26.762 1.00 0.00 N ATOM 866 CA GLY A 40 38.087 9.844 26.960 1.00 0.00 C ATOM 867 C GLY A 40 38.479 10.933 25.990 1.00 0.00 C ATOM 868 O GLY A 40 37.861 11.071 24.935 1.00 0.00 O ATOM 0 H GLY A 40 36.589 8.521 26.350 1.00 0.00 H new ATOM 0 HA2 GLY A 40 38.224 10.196 27.982 1.00 0.00 H new ATOM 0 HA3 GLY A 40 38.741 8.982 26.829 1.00 0.00 H new ATOM 872 N VAL A 41 39.495 11.706 26.338 1.00 0.00 N ATOM 873 CA VAL A 41 39.934 12.813 25.493 1.00 0.00 C ATOM 874 C VAL A 41 40.388 12.305 24.125 1.00 0.00 C ATOM 875 O VAL A 41 41.057 11.269 24.020 1.00 0.00 O ATOM 876 CB VAL A 41 41.070 13.631 26.165 1.00 0.00 C ATOM 877 CG1 VAL A 41 41.542 14.767 25.268 1.00 0.00 C ATOM 878 CG2 VAL A 41 40.607 14.177 27.509 1.00 0.00 C ATOM 0 H VAL A 41 40.032 11.591 27.197 1.00 0.00 H new ATOM 0 HA VAL A 41 39.079 13.475 25.356 1.00 0.00 H new ATOM 0 HB VAL A 41 41.913 12.959 26.327 1.00 0.00 H new ATOM 0 HG11 VAL A 41 42.337 15.319 25.768 1.00 0.00 H new ATOM 0 HG12 VAL A 41 41.919 14.358 24.331 1.00 0.00 H new ATOM 0 HG13 VAL A 41 40.708 15.438 25.062 1.00 0.00 H new ATOM 0 HG21 VAL A 41 41.414 14.748 27.967 1.00 0.00 H new ATOM 0 HG22 VAL A 41 39.743 14.825 27.360 1.00 0.00 H new ATOM 0 HG23 VAL A 41 40.331 13.349 28.163 1.00 0.00 H new ATOM 888 N GLY A 42 40.004 13.027 23.085 1.00 0.00 N ATOM 889 CA GLY A 42 40.340 12.633 21.747 1.00 0.00 C ATOM 890 C GLY A 42 41.762 12.980 21.387 1.00 0.00 C ATOM 891 O GLY A 42 42.281 14.016 21.791 1.00 0.00 O ATOM 0 H GLY A 42 39.460 13.887 23.152 1.00 0.00 H new ATOM 0 HA2 GLY A 42 40.193 11.558 21.640 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.661 13.120 21.046 1.00 0.00 H new ATOM 895 N VAL A 43 42.385 12.119 20.638 1.00 0.00 N ATOM 896 CA VAL A 43 43.745 12.314 20.210 1.00 0.00 C ATOM 897 C VAL A 43 43.774 12.679 18.735 1.00 0.00 C ATOM 898 O VAL A 43 43.294 11.917 17.898 1.00 0.00 O ATOM 899 CB VAL A 43 44.576 11.025 20.423 1.00 0.00 C ATOM 900 CG1 VAL A 43 46.031 11.258 20.060 1.00 0.00 C ATOM 901 CG2 VAL A 43 44.452 10.530 21.860 1.00 0.00 C ATOM 0 H VAL A 43 41.963 11.253 20.302 1.00 0.00 H new ATOM 0 HA VAL A 43 44.176 13.120 20.803 1.00 0.00 H new ATOM 0 HB VAL A 43 44.179 10.254 19.763 1.00 0.00 H new ATOM 0 HG11 VAL A 43 46.597 10.340 20.217 1.00 0.00 H new ATOM 0 HG12 VAL A 43 46.102 11.553 19.013 1.00 0.00 H new ATOM 0 HG13 VAL A 43 46.441 12.049 20.689 1.00 0.00 H new ATOM 0 HG21 VAL A 43 45.044 9.624 21.985 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.816 11.298 22.542 1.00 0.00 H new ATOM 0 HG23 VAL A 43 43.407 10.314 22.081 1.00 0.00 H new ATOM 911 N ILE A 44 44.313 13.848 18.416 1.00 0.00 N ATOM 912 CA ILE A 44 44.433 14.265 17.033 1.00 0.00 C ATOM 913 C ILE A 44 45.654 13.605 16.417 1.00 0.00 C ATOM 914 O ILE A 44 46.802 13.955 16.727 1.00 0.00 O ATOM 915 CB ILE A 44 44.512 15.806 16.880 1.00 0.00 C ATOM 916 CG1 ILE A 44 43.211 16.447 17.362 1.00 0.00 C ATOM 917 CG2 ILE A 44 44.796 16.193 15.429 1.00 0.00 C ATOM 918 CD1 ILE A 44 43.187 17.957 17.242 1.00 0.00 C ATOM 0 H ILE A 44 44.671 14.519 19.096 1.00 0.00 H new ATOM 0 HA ILE A 44 43.532 13.948 16.508 1.00 0.00 H new ATOM 0 HB ILE A 44 45.334 16.174 17.494 1.00 0.00 H new ATOM 0 HG12 ILE A 44 42.381 16.034 16.789 1.00 0.00 H new ATOM 0 HG13 ILE A 44 43.047 16.173 18.404 1.00 0.00 H new ATOM 0 HG21 ILE A 44 44.847 17.279 15.345 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.746 15.760 15.116 1.00 0.00 H new ATOM 0 HG23 ILE A 44 43.998 15.817 14.789 1.00 0.00 H new ATOM 0 HD11 ILE A 44 42.231 18.336 17.604 1.00 0.00 H new ATOM 0 HD12 ILE A 44 43.995 18.382 17.838 1.00 0.00 H new ATOM 0 HD13 ILE A 44 43.318 18.241 16.198 1.00 0.00 H new ATOM 930 N VAL A 45 45.402 12.629 15.579 1.00 0.00 N ATOM 931 CA VAL A 45 46.453 11.852 14.981 1.00 0.00 C ATOM 932 C VAL A 45 46.703 12.272 13.541 1.00 0.00 C ATOM 933 O VAL A 45 45.807 12.203 12.697 1.00 0.00 O ATOM 934 CB VAL A 45 46.099 10.350 15.003 1.00 0.00 C ATOM 935 CG1 VAL A 45 47.294 9.508 14.602 1.00 0.00 C ATOM 936 CG2 VAL A 45 45.575 9.937 16.370 1.00 0.00 C ATOM 0 H VAL A 45 44.462 12.353 15.294 1.00 0.00 H new ATOM 0 HA VAL A 45 47.355 12.029 15.566 1.00 0.00 H new ATOM 0 HB VAL A 45 45.307 10.178 14.274 1.00 0.00 H new ATOM 0 HG11 VAL A 45 47.020 8.453 14.625 1.00 0.00 H new ATOM 0 HG12 VAL A 45 47.609 9.779 13.594 1.00 0.00 H new ATOM 0 HG13 VAL A 45 48.114 9.685 15.298 1.00 0.00 H new ATOM 0 HG21 VAL A 45 45.332 8.874 16.361 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.337 10.129 17.125 1.00 0.00 H new ATOM 0 HG23 VAL A 45 44.679 10.512 16.605 1.00 0.00 H new ATOM 946 N THR A 46 47.913 12.713 13.267 1.00 0.00 N ATOM 947 CA THR A 46 48.305 13.069 11.929 1.00 0.00 C ATOM 948 C THR A 46 49.037 11.896 11.290 1.00 0.00 C ATOM 949 O THR A 46 50.173 11.574 11.659 1.00 0.00 O ATOM 950 CB THR A 46 49.208 14.317 11.909 1.00 0.00 C ATOM 951 OG1 THR A 46 48.554 15.393 12.598 1.00 0.00 O ATOM 952 CG2 THR A 46 49.505 14.744 10.477 1.00 0.00 C ATOM 0 H THR A 46 48.646 12.833 13.966 1.00 0.00 H new ATOM 0 HA THR A 46 47.403 13.305 11.364 1.00 0.00 H new ATOM 0 HB THR A 46 50.148 14.073 12.405 1.00 0.00 H new ATOM 0 HG1 THR A 46 49.051 16.225 12.452 1.00 0.00 H new ATOM 0 HG21 THR A 46 50.144 15.627 10.486 1.00 0.00 H new ATOM 0 HG22 THR A 46 50.013 13.934 9.954 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.571 14.977 9.966 1.00 0.00 H new ATOM 960 N PHE A 47 48.378 11.249 10.362 1.00 0.00 N ATOM 961 CA PHE A 47 48.932 10.089 9.699 1.00 0.00 C ATOM 962 C PHE A 47 49.880 10.509 8.586 1.00 0.00 C ATOM 963 O PHE A 47 49.858 11.658 8.139 1.00 0.00 O ATOM 964 CB PHE A 47 47.804 9.214 9.142 1.00 0.00 C ATOM 965 CG PHE A 47 46.846 8.719 10.200 1.00 0.00 C ATOM 966 CD1 PHE A 47 45.806 9.518 10.645 1.00 0.00 C ATOM 967 CD2 PHE A 47 46.990 7.456 10.744 1.00 0.00 C ATOM 968 CE1 PHE A 47 44.931 9.067 11.613 1.00 0.00 C ATOM 969 CE2 PHE A 47 46.119 6.998 11.713 1.00 0.00 C ATOM 970 CZ PHE A 47 45.089 7.805 12.147 1.00 0.00 C ATOM 0 H PHE A 47 47.444 11.508 10.043 1.00 0.00 H new ATOM 0 HA PHE A 47 49.499 9.509 10.427 1.00 0.00 H new ATOM 0 HB2 PHE A 47 47.248 9.783 8.397 1.00 0.00 H new ATOM 0 HB3 PHE A 47 48.240 8.357 8.628 1.00 0.00 H new ATOM 0 HD1 PHE A 47 45.678 10.507 10.229 1.00 0.00 H new ATOM 0 HD2 PHE A 47 47.794 6.819 10.407 1.00 0.00 H new ATOM 0 HE1 PHE A 47 44.125 9.701 11.951 1.00 0.00 H new ATOM 0 HE2 PHE A 47 46.245 6.010 12.130 1.00 0.00 H new ATOM 0 HZ PHE A 47 44.406 7.449 12.905 1.00 0.00 H new ATOM 980 N ASP A 48 50.702 9.569 8.131 1.00 0.00 N ATOM 981 CA ASP A 48 51.683 9.834 7.071 1.00 0.00 C ATOM 982 C ASP A 48 50.984 10.131 5.752 1.00 0.00 C ATOM 983 O ASP A 48 51.587 10.661 4.815 1.00 0.00 O ATOM 984 CB ASP A 48 52.618 8.642 6.898 1.00 0.00 C ATOM 985 CG ASP A 48 51.936 7.450 6.258 1.00 0.00 C ATOM 986 OD1 ASP A 48 51.131 6.785 6.941 1.00 0.00 O ATOM 987 OD2 ASP A 48 52.208 7.169 5.071 1.00 0.00 O ATOM 0 H ASP A 48 50.712 8.610 8.479 1.00 0.00 H new ATOM 0 HA ASP A 48 52.267 10.706 7.365 1.00 0.00 H new ATOM 0 HB2 ASP A 48 53.470 8.940 6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 48 53.012 8.350 7.872 1.00 0.00 H new ATOM 992 N ASP A 49 49.706 9.800 5.703 1.00 0.00 N ATOM 993 CA ASP A 49 48.872 10.021 4.531 1.00 0.00 C ATOM 994 C ASP A 49 48.430 11.496 4.459 1.00 0.00 C ATOM 995 O ASP A 49 47.615 11.872 3.620 1.00 0.00 O ATOM 996 CB ASP A 49 47.652 9.089 4.601 1.00 0.00 C ATOM 997 CG ASP A 49 46.811 9.087 3.341 1.00 0.00 C ATOM 998 OD1 ASP A 49 47.277 8.562 2.307 1.00 0.00 O ATOM 999 OD2 ASP A 49 45.671 9.584 3.383 1.00 0.00 O ATOM 0 H ASP A 49 49.211 9.366 6.482 1.00 0.00 H new ATOM 0 HA ASP A 49 49.441 9.798 3.629 1.00 0.00 H new ATOM 0 HB2 ASP A 49 47.993 8.073 4.800 1.00 0.00 H new ATOM 0 HB3 ASP A 49 47.027 9.386 5.443 1.00 0.00 H new ATOM 1004 N ARG A 50 48.989 12.317 5.368 1.00 0.00 N ATOM 1005 CA ARG A 50 48.700 13.760 5.454 1.00 0.00 C ATOM 1006 C ARG A 50 47.282 14.001 5.951 1.00 0.00 C ATOM 1007 O ARG A 50 46.744 15.103 5.838 1.00 0.00 O ATOM 1008 CB ARG A 50 48.919 14.463 4.107 1.00 0.00 C ATOM 1009 CG ARG A 50 50.318 14.291 3.537 1.00 0.00 C ATOM 1010 CD ARG A 50 50.508 15.126 2.282 1.00 0.00 C ATOM 1011 NE ARG A 50 50.482 16.564 2.572 1.00 0.00 N ATOM 1012 CZ ARG A 50 49.534 17.408 2.150 1.00 0.00 C ATOM 1013 NH1 ARG A 50 48.512 16.965 1.430 1.00 0.00 N ATOM 1014 NH2 ARG A 50 49.607 18.699 2.454 1.00 0.00 N ATOM 0 H ARG A 50 49.658 11.995 6.067 1.00 0.00 H new ATOM 0 HA ARG A 50 49.399 14.188 6.172 1.00 0.00 H new ATOM 0 HB2 ARG A 50 48.196 14.080 3.387 1.00 0.00 H new ATOM 0 HB3 ARG A 50 48.716 15.527 4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 50 51.056 14.581 4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 50 50.493 13.240 3.307 1.00 0.00 H new ATOM 0 HD2 ARG A 50 51.458 14.867 1.814 1.00 0.00 H new ATOM 0 HD3 ARG A 50 49.723 14.886 1.564 1.00 0.00 H new ATOM 0 HE ARG A 50 51.241 16.947 3.136 1.00 0.00 H new ATOM 0 HH11 ARG A 50 48.445 15.975 1.195 1.00 0.00 H new ATOM 0 HH12 ARG A 50 47.793 17.615 1.112 1.00 0.00 H new ATOM 0 HH21 ARG A 50 50.387 19.049 3.010 1.00 0.00 H new ATOM 0 HH22 ARG A 50 48.883 19.341 2.131 1.00 0.00 H new ATOM 1028 N SER A 51 46.699 12.970 6.517 1.00 0.00 N ATOM 1029 CA SER A 51 45.362 13.039 7.041 1.00 0.00 C ATOM 1030 C SER A 51 45.411 13.074 8.557 1.00 0.00 C ATOM 1031 O SER A 51 46.105 12.268 9.179 1.00 0.00 O ATOM 1032 CB SER A 51 44.560 11.822 6.573 1.00 0.00 C ATOM 1033 OG SER A 51 43.198 11.903 6.970 1.00 0.00 O ATOM 0 H SER A 51 47.143 12.058 6.626 1.00 0.00 H new ATOM 0 HA SER A 51 44.878 13.945 6.677 1.00 0.00 H new ATOM 0 HB2 SER A 51 44.618 11.744 5.487 1.00 0.00 H new ATOM 0 HB3 SER A 51 45.004 10.915 6.982 1.00 0.00 H new ATOM 0 HG SER A 51 42.625 11.597 6.236 1.00 0.00 H new ATOM 1039 N SER A 52 44.708 14.008 9.149 1.00 0.00 N ATOM 1040 CA SER A 52 44.651 14.098 10.583 1.00 0.00 C ATOM 1041 C SER A 52 43.241 13.818 11.074 1.00 0.00 C ATOM 1042 O SER A 52 42.276 14.447 10.628 1.00 0.00 O ATOM 1043 CB SER A 52 45.143 15.463 11.057 1.00 0.00 C ATOM 1044 OG SER A 52 44.463 16.518 10.389 1.00 0.00 O ATOM 0 H SER A 52 44.166 14.718 8.656 1.00 0.00 H new ATOM 0 HA SER A 52 45.312 13.342 11.007 1.00 0.00 H new ATOM 0 HB2 SER A 52 44.991 15.553 12.133 1.00 0.00 H new ATOM 0 HB3 SER A 52 46.215 15.548 10.878 1.00 0.00 H new ATOM 0 HG SER A 52 43.535 16.253 10.220 1.00 0.00 H new ATOM 1050 N THR A 53 43.123 12.872 11.969 1.00 0.00 N ATOM 1051 CA THR A 53 41.838 12.482 12.494 1.00 0.00 C ATOM 1052 C THR A 53 41.937 12.294 13.998 1.00 0.00 C ATOM 1053 O THR A 53 42.968 11.855 14.503 1.00 0.00 O ATOM 1054 CB THR A 53 41.374 11.159 11.851 1.00 0.00 C ATOM 1055 OG1 THR A 53 41.681 11.164 10.447 1.00 0.00 O ATOM 1056 CG2 THR A 53 39.876 10.963 12.037 1.00 0.00 C ATOM 0 H THR A 53 43.911 12.351 12.354 1.00 0.00 H new ATOM 0 HA THR A 53 41.116 13.265 12.264 1.00 0.00 H new ATOM 0 HB THR A 53 41.900 10.339 12.341 1.00 0.00 H new ATOM 0 HG1 THR A 53 40.854 11.067 9.931 1.00 0.00 H new ATOM 0 HG21 THR A 53 39.572 10.024 11.575 1.00 0.00 H new ATOM 0 HG22 THR A 53 39.642 10.937 13.101 1.00 0.00 H new ATOM 0 HG23 THR A 53 39.340 11.788 11.568 1.00 0.00 H new ATOM 1064 N TRP A 54 40.885 12.640 14.710 1.00 0.00 N ATOM 1065 CA TRP A 54 40.880 12.482 16.146 1.00 0.00 C ATOM 1066 C TRP A 54 40.190 11.183 16.535 1.00 0.00 C ATOM 1067 O TRP A 54 39.142 10.837 15.989 1.00 0.00 O ATOM 1068 CB TRP A 54 40.217 13.686 16.837 1.00 0.00 C ATOM 1069 CG TRP A 54 38.737 13.801 16.604 1.00 0.00 C ATOM 1070 CD1 TRP A 54 38.112 14.255 15.480 1.00 0.00 C ATOM 1071 CD2 TRP A 54 37.697 13.468 17.533 1.00 0.00 C ATOM 1072 NE1 TRP A 54 36.752 14.219 15.650 1.00 0.00 N ATOM 1073 CE2 TRP A 54 36.470 13.740 16.901 1.00 0.00 C ATOM 1074 CE3 TRP A 54 37.686 12.963 18.836 1.00 0.00 C ATOM 1075 CZ2 TRP A 54 35.246 13.524 17.527 1.00 0.00 C ATOM 1076 CZ3 TRP A 54 36.471 12.750 19.456 1.00 0.00 C ATOM 1077 CH2 TRP A 54 35.267 13.030 18.802 1.00 0.00 C ATOM 0 H TRP A 54 40.028 13.030 14.319 1.00 0.00 H new ATOM 0 HA TRP A 54 41.915 12.437 16.486 1.00 0.00 H new ATOM 0 HB2 TRP A 54 40.399 13.619 17.910 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.699 14.599 16.489 1.00 0.00 H new ATOM 0 HD1 TRP A 54 38.615 14.594 14.586 1.00 0.00 H new ATOM 0 HE1 TRP A 54 36.061 14.504 14.956 1.00 0.00 H new ATOM 0 HE3 TRP A 54 38.611 12.743 19.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 34.314 13.738 17.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 36.450 12.361 20.463 1.00 0.00 H new ATOM 0 HH2 TRP A 54 34.333 12.852 19.315 1.00 0.00 H new ATOM 1088 N PHE A 55 40.798 10.463 17.445 1.00 0.00 N ATOM 1089 CA PHE A 55 40.252 9.206 17.934 1.00 0.00 C ATOM 1090 C PHE A 55 40.286 9.196 19.447 1.00 0.00 C ATOM 1091 O PHE A 55 41.045 9.946 20.052 1.00 0.00 O ATOM 1092 CB PHE A 55 41.055 8.028 17.384 1.00 0.00 C ATOM 1093 CG PHE A 55 40.953 7.867 15.895 1.00 0.00 C ATOM 1094 CD1 PHE A 55 39.856 7.242 15.329 1.00 0.00 C ATOM 1095 CD2 PHE A 55 41.951 8.343 15.062 1.00 0.00 C ATOM 1096 CE1 PHE A 55 39.757 7.094 13.959 1.00 0.00 C ATOM 1097 CE2 PHE A 55 41.858 8.197 13.695 1.00 0.00 C ATOM 1098 CZ PHE A 55 40.759 7.571 13.142 1.00 0.00 C ATOM 0 H PHE A 55 41.686 10.726 17.872 1.00 0.00 H new ATOM 0 HA PHE A 55 39.221 9.110 17.595 1.00 0.00 H new ATOM 0 HB2 PHE A 55 42.103 8.157 17.655 1.00 0.00 H new ATOM 0 HB3 PHE A 55 40.712 7.111 17.863 1.00 0.00 H new ATOM 0 HD1 PHE A 55 39.069 6.866 15.965 1.00 0.00 H new ATOM 0 HD2 PHE A 55 42.813 8.835 15.489 1.00 0.00 H new ATOM 0 HE1 PHE A 55 38.895 6.605 13.529 1.00 0.00 H new ATOM 0 HE2 PHE A 55 42.644 8.572 13.057 1.00 0.00 H new ATOM 0 HZ PHE A 55 40.685 7.455 12.071 1.00 0.00 H new ATOM 1108 N PHE A 56 39.485 8.355 20.061 1.00 0.00 N ATOM 1109 CA PHE A 56 39.443 8.303 21.497 1.00 0.00 C ATOM 1110 C PHE A 56 40.648 7.558 22.035 1.00 0.00 C ATOM 1111 O PHE A 56 41.128 6.601 21.423 1.00 0.00 O ATOM 1112 CB PHE A 56 38.143 7.660 21.987 1.00 0.00 C ATOM 1113 CG PHE A 56 36.909 8.450 21.636 1.00 0.00 C ATOM 1114 CD1 PHE A 56 36.549 9.562 22.380 1.00 0.00 C ATOM 1115 CD2 PHE A 56 36.112 8.085 20.563 1.00 0.00 C ATOM 1116 CE1 PHE A 56 35.420 10.292 22.062 1.00 0.00 C ATOM 1117 CE2 PHE A 56 34.981 8.809 20.240 1.00 0.00 C ATOM 1118 CZ PHE A 56 34.635 9.914 20.991 1.00 0.00 C ATOM 0 H PHE A 56 38.859 7.703 19.588 1.00 0.00 H new ATOM 0 HA PHE A 56 39.472 9.325 21.875 1.00 0.00 H new ATOM 0 HB2 PHE A 56 38.058 6.661 21.560 1.00 0.00 H new ATOM 0 HB3 PHE A 56 38.192 7.541 23.069 1.00 0.00 H new ATOM 0 HD1 PHE A 56 37.159 9.862 23.219 1.00 0.00 H new ATOM 0 HD2 PHE A 56 36.379 7.222 19.971 1.00 0.00 H new ATOM 0 HE1 PHE A 56 35.152 11.157 22.650 1.00 0.00 H new ATOM 0 HE2 PHE A 56 34.369 8.511 19.402 1.00 0.00 H new ATOM 0 HZ PHE A 56 33.751 10.482 20.741 1.00 0.00 H new ATOM 1128 N GLU A 57 41.134 8.004 23.182 1.00 0.00 N ATOM 1129 CA GLU A 57 42.296 7.406 23.841 1.00 0.00 C ATOM 1130 C GLU A 57 42.127 5.895 24.045 1.00 0.00 C ATOM 1131 O GLU A 57 43.104 5.158 24.126 1.00 0.00 O ATOM 1132 CB GLU A 57 42.510 8.067 25.196 1.00 0.00 C ATOM 1133 CG GLU A 57 41.265 8.047 26.069 1.00 0.00 C ATOM 1134 CD GLU A 57 41.585 7.988 27.537 1.00 0.00 C ATOM 1135 OE1 GLU A 57 42.122 6.948 27.987 1.00 0.00 O ATOM 1136 OE2 GLU A 57 41.299 8.964 28.250 1.00 0.00 O ATOM 0 H GLU A 57 40.736 8.794 23.689 1.00 0.00 H new ATOM 0 HA GLU A 57 43.159 7.567 23.194 1.00 0.00 H new ATOM 0 HB2 GLU A 57 43.321 7.559 25.718 1.00 0.00 H new ATOM 0 HB3 GLU A 57 42.825 9.100 25.045 1.00 0.00 H new ATOM 0 HG2 GLU A 57 40.670 8.938 25.867 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.652 7.187 25.800 1.00 0.00 H new ATOM 1143 N ASP A 58 40.888 5.450 24.124 1.00 0.00 N ATOM 1144 CA ASP A 58 40.594 4.053 24.389 1.00 0.00 C ATOM 1145 C ASP A 58 40.434 3.245 23.097 1.00 0.00 C ATOM 1146 O ASP A 58 40.266 2.029 23.135 1.00 0.00 O ATOM 1147 CB ASP A 58 39.332 3.948 25.256 1.00 0.00 C ATOM 1148 CG ASP A 58 39.035 2.535 25.725 1.00 0.00 C ATOM 1149 OD1 ASP A 58 39.923 1.907 26.343 1.00 0.00 O ATOM 1150 OD2 ASP A 58 37.897 2.062 25.517 1.00 0.00 O ATOM 0 H ASP A 58 40.063 6.039 24.008 1.00 0.00 H new ATOM 0 HA ASP A 58 41.440 3.625 24.927 1.00 0.00 H new ATOM 0 HB2 ASP A 58 39.444 4.595 26.126 1.00 0.00 H new ATOM 0 HB3 ASP A 58 38.479 4.321 24.689 1.00 0.00 H new ATOM 1155 N GLU A 59 40.503 3.908 21.950 1.00 0.00 N ATOM 1156 CA GLU A 59 40.328 3.203 20.689 1.00 0.00 C ATOM 1157 C GLU A 59 41.635 3.158 19.877 1.00 0.00 C ATOM 1158 O GLU A 59 41.700 2.552 18.800 1.00 0.00 O ATOM 1159 CB GLU A 59 39.150 3.803 19.889 1.00 0.00 C ATOM 1160 CG GLU A 59 39.467 4.989 19.010 1.00 0.00 C ATOM 1161 CD GLU A 59 38.199 5.604 18.443 1.00 0.00 C ATOM 1162 OE1 GLU A 59 37.322 4.847 17.973 1.00 0.00 O ATOM 1163 OE2 GLU A 59 38.068 6.834 18.489 1.00 0.00 O ATOM 0 H GLU A 59 40.675 4.910 21.867 1.00 0.00 H new ATOM 0 HA GLU A 59 40.074 2.166 20.909 1.00 0.00 H new ATOM 0 HB2 GLU A 59 38.728 3.017 19.263 1.00 0.00 H new ATOM 0 HB3 GLU A 59 38.374 4.099 20.595 1.00 0.00 H new ATOM 0 HG2 GLU A 59 40.012 5.737 19.586 1.00 0.00 H new ATOM 0 HG3 GLU A 59 40.120 4.677 18.195 1.00 0.00 H new ATOM 1170 N VAL A 60 42.684 3.775 20.421 1.00 0.00 N ATOM 1171 CA VAL A 60 43.996 3.780 19.774 1.00 0.00 C ATOM 1172 C VAL A 60 45.083 3.290 20.731 1.00 0.00 C ATOM 1173 O VAL A 60 44.909 3.321 21.955 1.00 0.00 O ATOM 1174 CB VAL A 60 44.379 5.184 19.241 1.00 0.00 C ATOM 1175 CG1 VAL A 60 43.464 5.596 18.104 1.00 0.00 C ATOM 1176 CG2 VAL A 60 44.343 6.219 20.359 1.00 0.00 C ATOM 0 H VAL A 60 42.651 4.278 21.308 1.00 0.00 H new ATOM 0 HA VAL A 60 43.924 3.099 18.926 1.00 0.00 H new ATOM 0 HB VAL A 60 45.398 5.132 18.859 1.00 0.00 H new ATOM 0 HG11 VAL A 60 43.751 6.584 17.746 1.00 0.00 H new ATOM 0 HG12 VAL A 60 43.549 4.876 17.290 1.00 0.00 H new ATOM 0 HG13 VAL A 60 42.434 5.624 18.458 1.00 0.00 H new ATOM 0 HG21 VAL A 60 44.616 7.196 19.959 1.00 0.00 H new ATOM 0 HG22 VAL A 60 43.338 6.266 20.779 1.00 0.00 H new ATOM 0 HG23 VAL A 60 45.049 5.936 21.139 1.00 0.00 H new ATOM 1186 N GLU A 61 46.189 2.826 20.172 1.00 0.00 N ATOM 1187 CA GLU A 61 47.315 2.331 20.962 1.00 0.00 C ATOM 1188 C GLU A 61 48.613 2.999 20.518 1.00 0.00 C ATOM 1189 O GLU A 61 48.757 3.355 19.350 1.00 0.00 O ATOM 1190 CB GLU A 61 47.428 0.810 20.826 1.00 0.00 C ATOM 1191 CG GLU A 61 47.518 0.329 19.390 1.00 0.00 C ATOM 1192 CD GLU A 61 47.664 -1.167 19.286 1.00 0.00 C ATOM 1193 OE1 GLU A 61 46.719 -1.892 19.668 1.00 0.00 O ATOM 1194 OE2 GLU A 61 48.719 -1.634 18.817 1.00 0.00 O ATOM 0 H GLU A 61 46.336 2.780 19.164 1.00 0.00 H new ATOM 0 HA GLU A 61 47.140 2.578 22.009 1.00 0.00 H new ATOM 0 HB2 GLU A 61 48.310 0.470 21.369 1.00 0.00 H new ATOM 0 HB3 GLU A 61 46.563 0.347 21.301 1.00 0.00 H new ATOM 0 HG2 GLU A 61 46.624 0.641 18.850 1.00 0.00 H new ATOM 0 HG3 GLU A 61 48.368 0.808 18.903 1.00 0.00 H new ATOM 1201 N VAL A 62 49.549 3.167 21.447 1.00 0.00 N ATOM 1202 CA VAL A 62 50.827 3.818 21.146 1.00 0.00 C ATOM 1203 C VAL A 62 51.792 2.845 20.471 1.00 0.00 C ATOM 1204 O VAL A 62 51.930 1.696 20.900 1.00 0.00 O ATOM 1205 CB VAL A 62 51.490 4.387 22.423 1.00 0.00 C ATOM 1206 CG1 VAL A 62 52.733 5.195 22.073 1.00 0.00 C ATOM 1207 CG2 VAL A 62 50.506 5.236 23.208 1.00 0.00 C ATOM 0 H VAL A 62 49.450 2.863 22.415 1.00 0.00 H new ATOM 0 HA VAL A 62 50.610 4.642 20.466 1.00 0.00 H new ATOM 0 HB VAL A 62 51.793 3.548 23.049 1.00 0.00 H new ATOM 0 HG11 VAL A 62 53.182 5.585 22.986 1.00 0.00 H new ATOM 0 HG12 VAL A 62 53.451 4.555 21.560 1.00 0.00 H new ATOM 0 HG13 VAL A 62 52.457 6.024 21.422 1.00 0.00 H new ATOM 0 HG21 VAL A 62 50.994 5.626 24.102 1.00 0.00 H new ATOM 0 HG22 VAL A 62 50.167 6.066 22.589 1.00 0.00 H new ATOM 0 HG23 VAL A 62 49.650 4.626 23.498 1.00 0.00 H new ATOM 1217 N VAL A 63 52.449 3.313 19.419 1.00 0.00 N ATOM 1218 CA VAL A 63 53.400 2.515 18.653 1.00 0.00 C ATOM 1219 C VAL A 63 54.541 3.400 18.157 1.00 0.00 C ATOM 1220 O VAL A 63 54.431 4.629 18.169 1.00 0.00 O ATOM 1221 CB VAL A 63 52.733 1.818 17.427 1.00 0.00 C ATOM 1222 CG1 VAL A 63 51.765 0.728 17.870 1.00 0.00 C ATOM 1223 CG2 VAL A 63 52.021 2.837 16.550 1.00 0.00 C ATOM 0 H VAL A 63 52.337 4.265 19.069 1.00 0.00 H new ATOM 0 HA VAL A 63 53.778 1.740 19.320 1.00 0.00 H new ATOM 0 HB VAL A 63 53.524 1.349 16.842 1.00 0.00 H new ATOM 0 HG11 VAL A 63 51.317 0.261 16.993 1.00 0.00 H new ATOM 0 HG12 VAL A 63 52.303 -0.025 18.446 1.00 0.00 H new ATOM 0 HG13 VAL A 63 50.982 1.166 18.488 1.00 0.00 H new ATOM 0 HG21 VAL A 63 51.563 2.330 15.701 1.00 0.00 H new ATOM 0 HG22 VAL A 63 51.249 3.341 17.131 1.00 0.00 H new ATOM 0 HG23 VAL A 63 52.740 3.572 16.188 1.00 0.00 H new ATOM 1233 N GLY A 64 55.630 2.786 17.736 1.00 0.00 N ATOM 1234 CA GLY A 64 56.747 3.553 17.236 1.00 0.00 C ATOM 1235 C GLY A 64 57.539 2.795 16.197 1.00 0.00 C ATOM 1236 O GLY A 64 58.508 2.105 16.571 1.00 0.00 O ATOM 1237 OXT GLY A 64 57.189 2.876 15.000 1.00 0.00 O ATOM 0 H GLY A 64 55.762 1.775 17.731 1.00 0.00 H new ATOM 0 HA2 GLY A 64 56.382 4.485 16.804 1.00 0.00 H new ATOM 0 HA3 GLY A 64 57.402 3.821 18.065 1.00 0.00 H new