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 180:sc= 0.0309 USER MOD Set 1.2: A 46 THR OG1 : rot -160:sc= 0 USER MOD Single : A 1 MET CE :methyl -173:sc= -2.21 (180deg=-2.58!) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.0789 F(o=-1.2,f=-0.079) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ILE N :NH3+ 148:sc= -0.281 (180deg=-0.479) USER MOD Single : A 10 CYS SG : rot -20:sc= 0.002 USER MOD Single : A 18 GLN : amide:sc= 0.248 K(o=0.25,f=-4.2!) USER MOD Single : A 22 GLN : amide:sc= -0.136 K(o=-0.14,f=-0.87) USER MOD Single : A 23 LYS NZ :NH3+ 152:sc= -0.0992! (180deg=-0.947) USER MOD Single : A 26 GLN : amide:sc= -0.0155 K(o=-0.016,f=-1.1) USER MOD Single : A 29 GLN : amide:sc= 1.01 K(o=1,f=-0.75) USER MOD Single : A 34 LYS NZ :NH3+ -168:sc= -0.027 (180deg=-0.239) USER MOD Single : A 35 MET CE :methyl -161:sc= -0.111 (180deg=-0.577) USER MOD Single : A 36 THR OG1 : rot 25:sc= 0.616 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 126:sc= 1.25 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00263 USER MOD ----------------------------------------------------------------- ATOM 181 N ILE A -3 44.943 8.817 30.401 1.00 0.00 N ATOM 182 CA ILE A -3 45.990 9.156 29.461 1.00 0.00 C ATOM 183 C ILE A -3 47.227 9.663 30.207 1.00 0.00 C ATOM 184 O ILE A -3 47.331 9.488 31.426 1.00 0.00 O ATOM 185 CB ILE A -3 45.515 10.226 28.447 1.00 0.00 C ATOM 186 CG1 ILE A -3 44.869 11.411 29.171 1.00 0.00 C ATOM 187 CG2 ILE A -3 44.545 9.612 27.447 1.00 0.00 C ATOM 188 CD1 ILE A -3 44.438 12.525 28.243 1.00 0.00 C ATOM 0 H1 ILE A -3 44.015 9.000 29.968 1.00 0.00 H new ATOM 0 H2 ILE A -3 45.015 7.811 30.653 1.00 0.00 H new ATOM 0 H3 ILE A -3 45.045 9.397 31.258 1.00 0.00 H new ATOM 0 HA ILE A -3 46.245 8.252 28.908 1.00 0.00 H new ATOM 0 HB ILE A -3 46.384 10.596 27.903 1.00 0.00 H new ATOM 0 HG12 ILE A -3 44.001 11.057 29.728 1.00 0.00 H new ATOM 0 HG13 ILE A -3 45.575 11.809 29.900 1.00 0.00 H new ATOM 0 HG21 ILE A -3 44.219 10.375 26.740 1.00 0.00 H new ATOM 0 HG22 ILE A -3 45.041 8.806 26.907 1.00 0.00 H new ATOM 0 HG23 ILE A -3 43.679 9.215 27.977 1.00 0.00 H new ATOM 0 HD11 ILE A -3 43.989 13.330 28.825 1.00 0.00 H new ATOM 0 HD12 ILE A -3 45.306 12.906 27.705 1.00 0.00 H new ATOM 0 HD13 ILE A -3 43.708 12.142 27.530 1.00 0.00 H new ATOM 200 N GLU A -2 48.154 10.299 29.469 1.00 0.00 N ATOM 201 CA GLU A -2 49.423 10.786 30.024 1.00 0.00 C ATOM 202 C GLU A -2 50.350 9.613 30.312 1.00 0.00 C ATOM 203 O GLU A -2 49.959 8.634 30.951 1.00 0.00 O ATOM 204 CB GLU A -2 49.205 11.646 31.277 1.00 0.00 C ATOM 205 CG GLU A -2 50.483 12.114 31.945 1.00 0.00 C ATOM 206 CD GLU A -2 50.215 12.881 33.213 1.00 0.00 C ATOM 207 OE1 GLU A -2 49.899 12.243 34.244 1.00 0.00 O ATOM 208 OE2 GLU A -2 50.319 14.125 33.193 1.00 0.00 O ATOM 0 H GLU A -2 48.042 10.488 28.473 1.00 0.00 H new ATOM 0 HA GLU A -2 49.894 11.429 29.280 1.00 0.00 H new ATOM 0 HB2 GLU A -2 48.611 12.518 31.005 1.00 0.00 H new ATOM 0 HB3 GLU A -2 48.621 11.074 31.998 1.00 0.00 H new ATOM 0 HG2 GLU A -2 51.110 11.251 32.170 1.00 0.00 H new ATOM 0 HG3 GLU A -2 51.043 12.743 31.253 1.00 0.00 H new ATOM 215 N GLY A -1 51.559 9.694 29.809 1.00 0.00 N ATOM 216 CA GLY A -1 52.490 8.598 29.948 1.00 0.00 C ATOM 217 C GLY A -1 52.243 7.566 28.874 1.00 0.00 C ATOM 218 O GLY A -1 53.158 7.152 28.168 1.00 0.00 O ATOM 0 H GLY A -1 51.920 10.502 29.302 1.00 0.00 H new ATOM 0 HA2 GLY A -1 53.513 8.969 29.878 1.00 0.00 H new ATOM 0 HA3 GLY A -1 52.383 8.142 30.932 1.00 0.00 H new ATOM 222 N ARG A 0 50.984 7.161 28.749 1.00 0.00 N ATOM 223 CA ARG A 0 50.576 6.230 27.714 1.00 0.00 C ATOM 224 C ARG A 0 50.481 6.991 26.399 1.00 0.00 C ATOM 225 O ARG A 0 51.079 6.613 25.396 1.00 0.00 O ATOM 226 CB ARG A 0 49.193 5.616 28.027 1.00 0.00 C ATOM 227 CG ARG A 0 48.821 5.541 29.504 1.00 0.00 C ATOM 228 CD ARG A 0 49.764 4.655 30.298 1.00 0.00 C ATOM 229 NE ARG A 0 49.347 4.561 31.697 1.00 0.00 N ATOM 230 CZ ARG A 0 50.140 4.785 32.747 1.00 0.00 C ATOM 231 NH1 ARG A 0 51.429 5.062 32.572 1.00 0.00 N ATOM 232 NH2 ARG A 0 49.644 4.716 33.975 1.00 0.00 N ATOM 0 H ARG A 0 50.226 7.468 29.359 1.00 0.00 H new ATOM 0 HA ARG A 0 51.308 5.424 27.658 1.00 0.00 H new ATOM 0 HB2 ARG A 0 48.432 6.199 27.509 1.00 0.00 H new ATOM 0 HB3 ARG A 0 49.161 4.609 27.612 1.00 0.00 H new ATOM 0 HG2 ARG A 0 48.828 6.545 29.928 1.00 0.00 H new ATOM 0 HG3 ARG A 0 47.804 5.161 29.600 1.00 0.00 H new ATOM 0 HD2 ARG A 0 49.791 3.659 29.856 1.00 0.00 H new ATOM 0 HD3 ARG A 0 50.776 5.055 30.243 1.00 0.00 H new ATOM 0 HE ARG A 0 48.378 4.305 31.884 1.00 0.00 H new ATOM 0 HH11 ARG A 0 51.818 5.105 31.630 1.00 0.00 H new ATOM 0 HH12 ARG A 0 52.028 5.232 33.380 1.00 0.00 H new ATOM 0 HH21 ARG A 0 48.659 4.492 34.115 1.00 0.00 H new ATOM 0 HH22 ARG A 0 50.248 4.887 34.779 1.00 0.00 H new ATOM 246 N MET A 1 49.733 8.087 26.438 1.00 0.00 N ATOM 247 CA MET A 1 49.515 8.932 25.274 1.00 0.00 C ATOM 248 C MET A 1 50.269 10.240 25.454 1.00 0.00 C ATOM 249 O MET A 1 50.085 10.929 26.461 1.00 0.00 O ATOM 250 CB MET A 1 48.015 9.227 25.111 1.00 0.00 C ATOM 251 CG MET A 1 47.119 7.993 25.169 1.00 0.00 C ATOM 252 SD MET A 1 47.379 6.859 23.794 1.00 0.00 S ATOM 253 CE MET A 1 46.688 7.809 22.444 1.00 0.00 C ATOM 0 H MET A 1 49.260 8.414 27.280 1.00 0.00 H new ATOM 0 HA MET A 1 49.876 8.416 24.384 1.00 0.00 H new ATOM 0 HB2 MET A 1 47.707 9.922 25.893 1.00 0.00 H new ATOM 0 HB3 MET A 1 47.858 9.730 24.157 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.299 7.465 26.105 1.00 0.00 H new ATOM 0 HG3 MET A 1 46.076 8.310 25.178 1.00 0.00 H new ATOM 0 HE1 MET A 1 46.660 7.195 21.544 1.00 0.00 H new ATOM 0 HE2 MET A 1 45.676 8.124 22.701 1.00 0.00 H new ATOM 0 HE3 MET A 1 47.307 8.688 22.264 1.00 0.00 H new ATOM 263 N ASP A 2 51.111 10.580 24.495 1.00 0.00 N ATOM 264 CA ASP A 2 51.913 11.801 24.574 1.00 0.00 C ATOM 265 C ASP A 2 52.085 12.429 23.197 1.00 0.00 C ATOM 266 O ASP A 2 52.144 11.723 22.188 1.00 0.00 O ATOM 267 CB ASP A 2 53.287 11.491 25.194 1.00 0.00 C ATOM 268 CG ASP A 2 54.220 12.687 25.213 1.00 0.00 C ATOM 269 OD1 ASP A 2 53.804 13.767 25.685 1.00 0.00 O ATOM 270 OD2 ASP A 2 55.382 12.546 24.774 1.00 0.00 O ATOM 0 H ASP A 2 51.262 10.031 23.649 1.00 0.00 H new ATOM 0 HA ASP A 2 51.389 12.515 25.210 1.00 0.00 H new ATOM 0 HB2 ASP A 2 53.145 11.133 26.214 1.00 0.00 H new ATOM 0 HB3 ASP A 2 53.756 10.682 24.634 1.00 0.00 H new ATOM 275 N VAL A 3 52.152 13.755 23.155 1.00 0.00 N ATOM 276 CA VAL A 3 52.331 14.475 21.903 1.00 0.00 C ATOM 277 C VAL A 3 53.693 14.144 21.308 1.00 0.00 C ATOM 278 O VAL A 3 54.725 14.318 21.958 1.00 0.00 O ATOM 279 CB VAL A 3 52.213 16.007 22.102 1.00 0.00 C ATOM 280 CG1 VAL A 3 52.367 16.741 20.776 1.00 0.00 C ATOM 281 CG2 VAL A 3 50.888 16.362 22.758 1.00 0.00 C ATOM 0 H VAL A 3 52.085 14.354 23.978 1.00 0.00 H new ATOM 0 HA VAL A 3 51.540 14.160 21.223 1.00 0.00 H new ATOM 0 HB VAL A 3 53.020 16.325 22.762 1.00 0.00 H new ATOM 0 HG11 VAL A 3 52.280 17.815 20.942 1.00 0.00 H new ATOM 0 HG12 VAL A 3 53.344 16.518 20.348 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.587 16.416 20.088 1.00 0.00 H new ATOM 0 HG21 VAL A 3 50.825 17.442 22.889 1.00 0.00 H new ATOM 0 HG22 VAL A 3 50.067 16.024 22.126 1.00 0.00 H new ATOM 0 HG23 VAL A 3 50.821 15.874 23.730 1.00 0.00 H new ATOM 291 N GLY A 4 53.692 13.657 20.089 1.00 0.00 N ATOM 292 CA GLY A 4 54.926 13.266 19.451 1.00 0.00 C ATOM 293 C GLY A 4 55.008 11.769 19.276 1.00 0.00 C ATOM 294 O GLY A 4 55.770 11.272 18.446 1.00 0.00 O ATOM 0 H GLY A 4 52.855 13.523 19.522 1.00 0.00 H new ATOM 0 HA2 GLY A 4 55.004 13.752 18.478 1.00 0.00 H new ATOM 0 HA3 GLY A 4 55.771 13.610 20.048 1.00 0.00 H new ATOM 298 N GLN A 5 54.216 11.046 20.057 1.00 0.00 N ATOM 299 CA GLN A 5 54.170 9.595 19.972 1.00 0.00 C ATOM 300 C GLN A 5 53.327 9.173 18.786 1.00 0.00 C ATOM 301 O GLN A 5 52.507 9.948 18.293 1.00 0.00 O ATOM 302 CB GLN A 5 53.591 8.998 21.258 1.00 0.00 C ATOM 303 CG GLN A 5 54.442 9.248 22.493 1.00 0.00 C ATOM 304 CD GLN A 5 55.785 8.545 22.436 1.00 0.00 C ATOM 305 OE1 GLN A 5 55.821 7.385 21.811 1.00 0.00 O flip ATOM 306 NE2 GLN A 5 56.774 9.038 22.967 1.00 0.00 N flip ATOM 0 H GLN A 5 53.594 11.445 20.760 1.00 0.00 H new ATOM 0 HA GLN A 5 55.187 9.224 19.842 1.00 0.00 H new ATOM 0 HB2 GLN A 5 52.597 9.413 21.424 1.00 0.00 H new ATOM 0 HB3 GLN A 5 53.469 7.923 21.125 1.00 0.00 H new ATOM 0 HG2 GLN A 5 54.603 10.320 22.606 1.00 0.00 H new ATOM 0 HG3 GLN A 5 53.899 8.912 23.376 1.00 0.00 H new ATOM 0 HE21 GLN A 5 56.703 9.938 23.441 1.00 0.00 H new ATOM 0 HE22 GLN A 5 57.668 8.548 22.935 1.00 0.00 H new ATOM 315 N LYS A 6 53.524 7.960 18.326 1.00 0.00 N ATOM 316 CA LYS A 6 52.768 7.452 17.206 1.00 0.00 C ATOM 317 C LYS A 6 51.721 6.474 17.686 1.00 0.00 C ATOM 318 O LYS A 6 51.981 5.653 18.566 1.00 0.00 O ATOM 319 CB LYS A 6 53.678 6.771 16.190 1.00 0.00 C ATOM 320 CG LYS A 6 54.839 7.628 15.721 1.00 0.00 C ATOM 321 CD LYS A 6 55.600 6.953 14.593 1.00 0.00 C ATOM 322 CE LYS A 6 56.042 5.556 14.985 1.00 0.00 C ATOM 323 NZ LYS A 6 56.956 4.960 13.978 1.00 0.00 N ATOM 0 H LYS A 6 54.204 7.305 18.712 1.00 0.00 H new ATOM 0 HA LYS A 6 52.281 8.297 16.720 1.00 0.00 H new ATOM 0 HB2 LYS A 6 54.072 5.854 16.629 1.00 0.00 H new ATOM 0 HB3 LYS A 6 53.083 6.480 15.324 1.00 0.00 H new ATOM 0 HG2 LYS A 6 54.467 8.596 15.384 1.00 0.00 H new ATOM 0 HG3 LYS A 6 55.514 7.819 16.555 1.00 0.00 H new ATOM 0 HD2 LYS A 6 54.969 6.902 13.706 1.00 0.00 H new ATOM 0 HD3 LYS A 6 56.472 7.552 14.330 1.00 0.00 H new ATOM 0 HE2 LYS A 6 56.542 5.592 15.953 1.00 0.00 H new ATOM 0 HE3 LYS A 6 55.166 4.918 15.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 57.234 4.006 14.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 56.471 4.902 13.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 57.804 5.555 13.884 1.00 0.00 H new ATOM 337 N VAL A 7 50.547 6.565 17.116 1.00 0.00 N ATOM 338 CA VAL A 7 49.458 5.697 17.484 1.00 0.00 C ATOM 339 C VAL A 7 48.766 5.142 16.253 1.00 0.00 C ATOM 340 O VAL A 7 48.763 5.765 15.187 1.00 0.00 O ATOM 341 CB VAL A 7 48.423 6.407 18.388 1.00 0.00 C ATOM 342 CG1 VAL A 7 49.011 6.690 19.760 1.00 0.00 C ATOM 343 CG2 VAL A 7 47.940 7.692 17.745 1.00 0.00 C ATOM 0 H VAL A 7 50.319 7.240 16.386 1.00 0.00 H new ATOM 0 HA VAL A 7 49.894 4.876 18.053 1.00 0.00 H new ATOM 0 HB VAL A 7 47.569 5.741 18.510 1.00 0.00 H new ATOM 0 HG11 VAL A 7 48.266 7.190 20.379 1.00 0.00 H new ATOM 0 HG12 VAL A 7 49.304 5.752 20.231 1.00 0.00 H new ATOM 0 HG13 VAL A 7 49.886 7.332 19.656 1.00 0.00 H new ATOM 0 HG21 VAL A 7 47.213 8.175 18.398 1.00 0.00 H new ATOM 0 HG22 VAL A 7 48.786 8.361 17.588 1.00 0.00 H new ATOM 0 HG23 VAL A 7 47.473 7.466 16.786 1.00 0.00 H new ATOM 353 N ARG A 8 48.192 3.976 16.404 1.00 0.00 N ATOM 354 CA ARG A 8 47.518 3.302 15.321 1.00 0.00 C ATOM 355 C ARG A 8 46.095 2.965 15.719 1.00 0.00 C ATOM 356 O ARG A 8 45.848 2.501 16.833 1.00 0.00 O ATOM 357 CB ARG A 8 48.283 2.031 14.952 1.00 0.00 C ATOM 358 CG ARG A 8 47.655 1.222 13.834 1.00 0.00 C ATOM 359 CD ARG A 8 48.536 0.053 13.442 1.00 0.00 C ATOM 360 NE ARG A 8 48.743 -0.879 14.555 1.00 0.00 N ATOM 361 CZ ARG A 8 49.792 -1.694 14.667 1.00 0.00 C ATOM 362 NH1 ARG A 8 50.736 -1.708 13.733 1.00 0.00 N ATOM 363 NH2 ARG A 8 49.892 -2.494 15.715 1.00 0.00 N ATOM 0 H ARG A 8 48.178 3.464 17.286 1.00 0.00 H new ATOM 0 HA ARG A 8 47.486 3.961 14.454 1.00 0.00 H new ATOM 0 HB2 ARG A 8 49.297 2.304 14.660 1.00 0.00 H new ATOM 0 HB3 ARG A 8 48.365 1.401 15.838 1.00 0.00 H new ATOM 0 HG2 ARG A 8 46.679 0.855 14.151 1.00 0.00 H new ATOM 0 HG3 ARG A 8 47.489 1.862 12.968 1.00 0.00 H new ATOM 0 HD2 ARG A 8 48.082 -0.478 12.605 1.00 0.00 H new ATOM 0 HD3 ARG A 8 49.501 0.426 13.098 1.00 0.00 H new ATOM 0 HE ARG A 8 48.038 -0.905 15.292 1.00 0.00 H new ATOM 0 HH11 ARG A 8 50.661 -1.092 12.923 1.00 0.00 H new ATOM 0 HH12 ARG A 8 51.536 -2.334 13.826 1.00 0.00 H new ATOM 0 HH21 ARG A 8 49.168 -2.486 16.434 1.00 0.00 H new ATOM 0 HH22 ARG A 8 50.693 -3.119 15.805 1.00 0.00 H new ATOM 377 N VAL A 9 45.161 3.205 14.820 1.00 0.00 N ATOM 378 CA VAL A 9 43.769 2.898 15.084 1.00 0.00 C ATOM 379 C VAL A 9 43.549 1.403 14.909 1.00 0.00 C ATOM 380 O VAL A 9 43.544 0.896 13.786 1.00 0.00 O ATOM 381 CB VAL A 9 42.819 3.674 14.146 1.00 0.00 C ATOM 382 CG1 VAL A 9 41.408 3.693 14.711 1.00 0.00 C ATOM 383 CG2 VAL A 9 43.326 5.087 13.915 1.00 0.00 C ATOM 0 H VAL A 9 45.340 3.611 13.902 1.00 0.00 H new ATOM 0 HA VAL A 9 43.543 3.201 16.106 1.00 0.00 H new ATOM 0 HB VAL A 9 42.795 3.162 13.184 1.00 0.00 H new ATOM 0 HG11 VAL A 9 40.753 4.244 14.036 1.00 0.00 H new ATOM 0 HG12 VAL A 9 41.044 2.671 14.815 1.00 0.00 H new ATOM 0 HG13 VAL A 9 41.414 4.178 15.687 1.00 0.00 H new ATOM 0 HG21 VAL A 9 42.641 5.615 13.251 1.00 0.00 H new ATOM 0 HG22 VAL A 9 43.385 5.613 14.868 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.316 5.049 13.459 1.00 0.00 H new ATOM 393 N CYS A 10 43.401 0.703 16.016 1.00 0.00 N ATOM 394 CA CYS A 10 43.264 -0.744 15.985 1.00 0.00 C ATOM 395 C CYS A 10 41.820 -1.183 16.187 1.00 0.00 C ATOM 396 O CYS A 10 41.364 -2.149 15.572 1.00 0.00 O ATOM 397 CB CYS A 10 44.162 -1.375 17.055 1.00 0.00 C ATOM 398 SG CYS A 10 44.073 -3.180 17.139 1.00 0.00 S ATOM 0 H CYS A 10 43.372 1.111 16.950 1.00 0.00 H new ATOM 0 HA CYS A 10 43.575 -1.086 14.998 1.00 0.00 H new ATOM 0 HB2 CYS A 10 45.195 -1.083 16.863 1.00 0.00 H new ATOM 0 HB3 CYS A 10 43.890 -0.965 18.028 1.00 0.00 H new ATOM 0 HG CYS A 10 42.968 -3.586 16.587 1.00 0.00 H new ATOM 404 N ARG A 11 41.096 -0.475 17.030 1.00 0.00 N ATOM 405 CA ARG A 11 39.732 -0.849 17.345 1.00 0.00 C ATOM 406 C ARG A 11 38.838 0.365 17.434 1.00 0.00 C ATOM 407 O ARG A 11 39.246 1.406 17.921 1.00 0.00 O ATOM 408 CB ARG A 11 39.684 -1.628 18.659 1.00 0.00 C ATOM 409 CG ARG A 11 40.468 -0.980 19.790 1.00 0.00 C ATOM 410 CD ARG A 11 40.243 -1.704 21.103 1.00 0.00 C ATOM 411 NE ARG A 11 38.845 -1.634 21.521 1.00 0.00 N ATOM 412 CZ ARG A 11 38.406 -0.956 22.580 1.00 0.00 C ATOM 413 NH1 ARG A 11 39.260 -0.298 23.351 1.00 0.00 N ATOM 414 NH2 ARG A 11 37.111 -0.942 22.865 1.00 0.00 N ATOM 0 H ARG A 11 41.429 0.362 17.509 1.00 0.00 H new ATOM 0 HA ARG A 11 39.366 -1.484 16.538 1.00 0.00 H new ATOM 0 HB2 ARG A 11 38.644 -1.737 18.967 1.00 0.00 H new ATOM 0 HB3 ARG A 11 40.073 -2.632 18.489 1.00 0.00 H new ATOM 0 HG2 ARG A 11 41.531 -0.984 19.548 1.00 0.00 H new ATOM 0 HG3 ARG A 11 40.169 0.063 19.892 1.00 0.00 H new ATOM 0 HD2 ARG A 11 40.541 -2.747 21.000 1.00 0.00 H new ATOM 0 HD3 ARG A 11 40.877 -1.266 21.874 1.00 0.00 H new ATOM 0 HE ARG A 11 38.157 -2.140 20.963 1.00 0.00 H new ATOM 0 HH11 ARG A 11 40.257 -0.310 23.134 1.00 0.00 H new ATOM 0 HH12 ARG A 11 38.921 0.220 24.161 1.00 0.00 H new ATOM 0 HH21 ARG A 11 36.453 -1.450 22.274 1.00 0.00 H new ATOM 0 HH22 ARG A 11 36.773 -0.423 23.676 1.00 0.00 H new ATOM 428 N ILE A 12 37.624 0.224 16.959 1.00 0.00 N ATOM 429 CA ILE A 12 36.671 1.307 17.005 1.00 0.00 C ATOM 430 C ILE A 12 35.694 1.104 18.146 1.00 0.00 C ATOM 431 O ILE A 12 35.004 0.080 18.224 1.00 0.00 O ATOM 432 CB ILE A 12 35.914 1.453 15.663 1.00 0.00 C ATOM 433 CG1 ILE A 12 36.902 1.808 14.549 1.00 0.00 C ATOM 434 CG2 ILE A 12 34.815 2.505 15.767 1.00 0.00 C ATOM 435 CD1 ILE A 12 37.667 3.095 14.793 1.00 0.00 C ATOM 0 H ILE A 12 37.271 -0.634 16.534 1.00 0.00 H new ATOM 0 HA ILE A 12 37.224 2.230 17.176 1.00 0.00 H new ATOM 0 HB ILE A 12 35.438 0.502 15.424 1.00 0.00 H new ATOM 0 HG12 ILE A 12 37.613 0.990 14.434 1.00 0.00 H new ATOM 0 HG13 ILE A 12 36.358 1.893 13.608 1.00 0.00 H new ATOM 0 HG21 ILE A 12 34.299 2.588 14.811 1.00 0.00 H new ATOM 0 HG22 ILE A 12 34.103 2.213 16.539 1.00 0.00 H new ATOM 0 HG23 ILE A 12 35.256 3.468 16.026 1.00 0.00 H new ATOM 0 HD11 ILE A 12 38.346 3.278 13.960 1.00 0.00 H new ATOM 0 HD12 ILE A 12 36.965 3.925 14.878 1.00 0.00 H new ATOM 0 HD13 ILE A 12 38.240 3.008 15.716 1.00 0.00 H new ATOM 447 N ARG A 13 35.645 2.069 19.030 1.00 0.00 N ATOM 448 CA ARG A 13 34.783 2.009 20.182 1.00 0.00 C ATOM 449 C ARG A 13 33.557 2.883 19.966 1.00 0.00 C ATOM 450 O ARG A 13 32.484 2.606 20.504 1.00 0.00 O ATOM 451 CB ARG A 13 35.538 2.456 21.439 1.00 0.00 C ATOM 452 CG ARG A 13 34.759 2.248 22.730 1.00 0.00 C ATOM 453 CD ARG A 13 35.475 2.855 23.925 1.00 0.00 C ATOM 454 NE ARG A 13 35.562 4.313 23.829 1.00 0.00 N ATOM 455 CZ ARG A 13 35.897 5.125 24.839 1.00 0.00 C ATOM 456 NH1 ARG A 13 36.185 4.623 26.037 1.00 0.00 N ATOM 457 NH2 ARG A 13 35.941 6.441 24.643 1.00 0.00 N ATOM 0 H ARG A 13 36.204 2.920 18.970 1.00 0.00 H new ATOM 0 HA ARG A 13 34.459 0.978 20.321 1.00 0.00 H new ATOM 0 HB2 ARG A 13 36.478 1.908 21.501 1.00 0.00 H new ATOM 0 HB3 ARG A 13 35.790 3.512 21.344 1.00 0.00 H new ATOM 0 HG2 ARG A 13 33.770 2.695 22.634 1.00 0.00 H new ATOM 0 HG3 ARG A 13 34.612 1.181 22.898 1.00 0.00 H new ATOM 0 HD2 ARG A 13 34.949 2.583 24.840 1.00 0.00 H new ATOM 0 HD3 ARG A 13 36.479 2.436 23.998 1.00 0.00 H new ATOM 0 HE ARG A 13 35.352 4.741 22.927 1.00 0.00 H new ATOM 0 HH11 ARG A 13 36.151 3.615 26.189 1.00 0.00 H new ATOM 0 HH12 ARG A 13 36.440 5.246 26.803 1.00 0.00 H new ATOM 0 HH21 ARG A 13 35.720 6.828 23.725 1.00 0.00 H new ATOM 0 HH22 ARG A 13 36.196 7.063 25.410 1.00 0.00 H new ATOM 471 N ASP A 14 33.716 3.930 19.168 1.00 0.00 N ATOM 472 CA ASP A 14 32.615 4.849 18.907 1.00 0.00 C ATOM 473 C ASP A 14 31.807 4.408 17.688 1.00 0.00 C ATOM 474 O ASP A 14 30.832 3.668 17.816 1.00 0.00 O ATOM 475 CB ASP A 14 33.124 6.281 18.731 1.00 0.00 C ATOM 476 CG ASP A 14 31.996 7.288 18.650 1.00 0.00 C ATOM 477 OD1 ASP A 14 31.405 7.602 19.700 1.00 0.00 O ATOM 478 OD2 ASP A 14 31.702 7.773 17.543 1.00 0.00 O ATOM 0 H ASP A 14 34.588 4.164 18.694 1.00 0.00 H new ATOM 0 HA ASP A 14 31.955 4.829 19.774 1.00 0.00 H new ATOM 0 HB2 ASP A 14 33.777 6.537 19.566 1.00 0.00 H new ATOM 0 HB3 ASP A 14 33.727 6.341 17.825 1.00 0.00 H new ATOM 483 N ARG A 15 32.224 4.842 16.507 1.00 0.00 N ATOM 484 CA ARG A 15 31.540 4.475 15.276 1.00 0.00 C ATOM 485 C ARG A 15 32.506 4.540 14.106 1.00 0.00 C ATOM 486 O ARG A 15 33.397 5.392 14.075 1.00 0.00 O ATOM 487 CB ARG A 15 30.314 5.385 15.034 1.00 0.00 C ATOM 488 CG ARG A 15 30.639 6.834 14.660 1.00 0.00 C ATOM 489 CD ARG A 15 30.616 7.046 13.149 1.00 0.00 C ATOM 490 NE ARG A 15 29.313 6.699 12.567 1.00 0.00 N ATOM 491 CZ ARG A 15 28.951 6.942 11.301 1.00 0.00 C ATOM 492 NH1 ARG A 15 29.770 7.586 10.478 1.00 0.00 N ATOM 493 NH2 ARG A 15 27.757 6.559 10.866 1.00 0.00 N ATOM 0 H ARG A 15 33.033 5.449 16.376 1.00 0.00 H new ATOM 0 HA ARG A 15 31.177 3.451 15.370 1.00 0.00 H new ATOM 0 HB2 ARG A 15 29.709 4.949 14.239 1.00 0.00 H new ATOM 0 HB3 ARG A 15 29.701 5.388 15.935 1.00 0.00 H new ATOM 0 HG2 ARG A 15 29.919 7.502 15.132 1.00 0.00 H new ATOM 0 HG3 ARG A 15 31.622 7.099 15.050 1.00 0.00 H new ATOM 0 HD2 ARG A 15 30.848 8.087 12.925 1.00 0.00 H new ATOM 0 HD3 ARG A 15 31.394 6.439 12.685 1.00 0.00 H new ATOM 0 HE ARG A 15 28.633 6.239 13.172 1.00 0.00 H new ATOM 0 HH11 ARG A 15 30.683 7.900 10.809 1.00 0.00 H new ATOM 0 HH12 ARG A 15 29.487 7.767 9.515 1.00 0.00 H new ATOM 0 HH21 ARG A 15 27.114 6.079 11.496 1.00 0.00 H new ATOM 0 HH22 ARG A 15 27.482 6.745 9.901 1.00 0.00 H new ATOM 507 N VAL A 16 32.340 3.650 13.153 1.00 0.00 N ATOM 508 CA VAL A 16 33.225 3.616 12.011 1.00 0.00 C ATOM 509 C VAL A 16 32.736 4.555 10.922 1.00 0.00 C ATOM 510 O VAL A 16 31.666 4.357 10.352 1.00 0.00 O ATOM 511 CB VAL A 16 33.336 2.192 11.417 1.00 0.00 C ATOM 512 CG1 VAL A 16 34.366 2.151 10.301 1.00 0.00 C ATOM 513 CG2 VAL A 16 33.674 1.179 12.492 1.00 0.00 C ATOM 0 H VAL A 16 31.604 2.944 13.146 1.00 0.00 H new ATOM 0 HA VAL A 16 34.206 3.933 12.364 1.00 0.00 H new ATOM 0 HB VAL A 16 32.365 1.929 10.997 1.00 0.00 H new ATOM 0 HG11 VAL A 16 34.427 1.140 9.899 1.00 0.00 H new ATOM 0 HG12 VAL A 16 34.072 2.840 9.509 1.00 0.00 H new ATOM 0 HG13 VAL A 16 35.340 2.444 10.694 1.00 0.00 H new ATOM 0 HG21 VAL A 16 33.746 0.187 12.047 1.00 0.00 H new ATOM 0 HG22 VAL A 16 34.627 1.441 12.952 1.00 0.00 H new ATOM 0 HG23 VAL A 16 32.892 1.180 13.252 1.00 0.00 H new ATOM 523 N ALA A 17 33.503 5.589 10.658 1.00 0.00 N ATOM 524 CA ALA A 17 33.192 6.487 9.572 1.00 0.00 C ATOM 525 C ALA A 17 33.790 5.967 8.279 1.00 0.00 C ATOM 526 O ALA A 17 34.623 5.054 8.296 1.00 0.00 O ATOM 527 CB ALA A 17 33.665 7.899 9.862 1.00 0.00 C ATOM 0 H ALA A 17 34.346 5.828 11.181 1.00 0.00 H new ATOM 0 HA ALA A 17 32.108 6.528 9.465 1.00 0.00 H new ATOM 0 HB1 ALA A 17 33.413 8.547 9.022 1.00 0.00 H new ATOM 0 HB2 ALA A 17 33.177 8.268 10.764 1.00 0.00 H new ATOM 0 HB3 ALA A 17 34.745 7.898 10.009 1.00 0.00 H new ATOM 533 N GLN A 18 33.394 6.559 7.176 1.00 0.00 N ATOM 534 CA GLN A 18 33.862 6.147 5.861 1.00 0.00 C ATOM 535 C GLN A 18 35.372 6.337 5.728 1.00 0.00 C ATOM 536 O GLN A 18 36.050 5.555 5.068 1.00 0.00 O ATOM 537 CB GLN A 18 33.122 6.923 4.760 1.00 0.00 C ATOM 538 CG GLN A 18 31.639 6.561 4.602 1.00 0.00 C ATOM 539 CD GLN A 18 30.788 6.889 5.826 1.00 0.00 C ATOM 540 OE1 GLN A 18 31.070 7.836 6.575 1.00 0.00 O ATOM 541 NE2 GLN A 18 29.749 6.109 6.038 1.00 0.00 N ATOM 0 H GLN A 18 32.738 7.340 7.159 1.00 0.00 H new ATOM 0 HA GLN A 18 33.646 5.085 5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 18 33.200 7.989 4.972 1.00 0.00 H new ATOM 0 HB3 GLN A 18 33.627 6.748 3.810 1.00 0.00 H new ATOM 0 HG2 GLN A 18 31.236 7.091 3.739 1.00 0.00 H new ATOM 0 HG3 GLN A 18 31.556 5.495 4.389 1.00 0.00 H new ATOM 0 HE21 GLN A 18 29.550 5.340 5.399 1.00 0.00 H new ATOM 0 HE22 GLN A 18 29.143 6.274 6.842 1.00 0.00 H new ATOM 550 N ASP A 19 35.898 7.374 6.354 1.00 0.00 N ATOM 551 CA ASP A 19 37.336 7.613 6.328 1.00 0.00 C ATOM 552 C ASP A 19 38.017 6.840 7.435 1.00 0.00 C ATOM 553 O ASP A 19 39.154 6.382 7.287 1.00 0.00 O ATOM 554 CB ASP A 19 37.652 9.093 6.478 1.00 0.00 C ATOM 555 CG ASP A 19 39.139 9.374 6.341 1.00 0.00 C ATOM 556 OD1 ASP A 19 39.681 9.214 5.230 1.00 0.00 O ATOM 557 OD2 ASP A 19 39.781 9.727 7.351 1.00 0.00 O ATOM 0 H ASP A 19 35.360 8.060 6.883 1.00 0.00 H new ATOM 0 HA ASP A 19 37.710 7.274 5.362 1.00 0.00 H new ATOM 0 HB2 ASP A 19 37.105 9.659 5.724 1.00 0.00 H new ATOM 0 HB3 ASP A 19 37.305 9.441 7.451 1.00 0.00 H new ATOM 562 N ILE A 20 37.305 6.680 8.540 1.00 0.00 N ATOM 563 CA ILE A 20 37.825 5.986 9.707 1.00 0.00 C ATOM 564 C ILE A 20 38.132 4.539 9.402 1.00 0.00 C ATOM 565 O ILE A 20 39.120 3.994 9.890 1.00 0.00 O ATOM 566 CB ILE A 20 36.847 6.065 10.895 1.00 0.00 C ATOM 567 CG1 ILE A 20 36.754 7.495 11.390 1.00 0.00 C ATOM 568 CG2 ILE A 20 37.276 5.136 12.007 1.00 0.00 C ATOM 569 CD1 ILE A 20 35.828 7.690 12.575 1.00 0.00 C ATOM 0 H ILE A 20 36.352 7.027 8.653 1.00 0.00 H new ATOM 0 HA ILE A 20 38.752 6.490 9.981 1.00 0.00 H new ATOM 0 HB ILE A 20 35.860 5.746 10.560 1.00 0.00 H new ATOM 0 HG12 ILE A 20 37.752 7.837 11.664 1.00 0.00 H new ATOM 0 HG13 ILE A 20 36.414 8.129 10.571 1.00 0.00 H new ATOM 0 HG21 ILE A 20 36.571 5.209 12.835 1.00 0.00 H new ATOM 0 HG22 ILE A 20 37.297 4.111 11.637 1.00 0.00 H new ATOM 0 HG23 ILE A 20 38.271 5.417 12.352 1.00 0.00 H new ATOM 0 HD11 ILE A 20 35.822 8.741 12.863 1.00 0.00 H new ATOM 0 HD12 ILE A 20 34.818 7.383 12.302 1.00 0.00 H new ATOM 0 HD13 ILE A 20 36.177 7.087 13.413 1.00 0.00 H new ATOM 581 N ILE A 21 37.306 3.917 8.586 1.00 0.00 N ATOM 582 CA ILE A 21 37.525 2.534 8.249 1.00 0.00 C ATOM 583 C ILE A 21 38.861 2.363 7.500 1.00 0.00 C ATOM 584 O ILE A 21 39.501 1.315 7.571 1.00 0.00 O ATOM 585 CB ILE A 21 36.346 1.931 7.439 1.00 0.00 C ATOM 586 CG1 ILE A 21 36.535 0.426 7.267 1.00 0.00 C ATOM 587 CG2 ILE A 21 36.208 2.610 6.083 1.00 0.00 C ATOM 588 CD1 ILE A 21 35.298 -0.293 6.793 1.00 0.00 C ATOM 0 H ILE A 21 36.488 4.344 8.151 1.00 0.00 H new ATOM 0 HA ILE A 21 37.579 1.977 9.184 1.00 0.00 H new ATOM 0 HB ILE A 21 35.427 2.107 7.997 1.00 0.00 H new ATOM 0 HG12 ILE A 21 37.341 0.250 6.555 1.00 0.00 H new ATOM 0 HG13 ILE A 21 36.850 -0.002 8.218 1.00 0.00 H new ATOM 0 HG21 ILE A 21 35.374 2.167 5.538 1.00 0.00 H new ATOM 0 HG22 ILE A 21 36.023 3.675 6.226 1.00 0.00 H new ATOM 0 HG23 ILE A 21 37.127 2.475 5.513 1.00 0.00 H new ATOM 0 HD11 ILE A 21 35.511 -1.357 6.695 1.00 0.00 H new ATOM 0 HD12 ILE A 21 34.494 -0.149 7.515 1.00 0.00 H new ATOM 0 HD13 ILE A 21 34.993 0.107 5.826 1.00 0.00 H new ATOM 600 N GLN A 22 39.278 3.429 6.818 1.00 0.00 N ATOM 601 CA GLN A 22 40.553 3.455 6.116 1.00 0.00 C ATOM 602 C GLN A 22 41.689 3.755 7.087 1.00 0.00 C ATOM 603 O GLN A 22 42.844 3.414 6.837 1.00 0.00 O ATOM 604 CB GLN A 22 40.521 4.511 5.011 1.00 0.00 C ATOM 605 CG GLN A 22 39.821 4.053 3.743 1.00 0.00 C ATOM 606 CD GLN A 22 40.574 2.941 3.039 1.00 0.00 C ATOM 607 OE1 GLN A 22 41.804 2.875 3.095 1.00 0.00 O ATOM 608 NE2 GLN A 22 39.848 2.061 2.385 1.00 0.00 N ATOM 0 H GLN A 22 38.742 4.293 6.739 1.00 0.00 H new ATOM 0 HA GLN A 22 40.724 2.475 5.669 1.00 0.00 H new ATOM 0 HB2 GLN A 22 40.021 5.403 5.389 1.00 0.00 H new ATOM 0 HB3 GLN A 22 41.544 4.798 4.766 1.00 0.00 H new ATOM 0 HG2 GLN A 22 38.816 3.709 3.989 1.00 0.00 H new ATOM 0 HG3 GLN A 22 39.711 4.900 3.065 1.00 0.00 H new ATOM 0 HE21 GLN A 22 38.832 2.153 2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 22 40.301 1.287 1.899 1.00 0.00 H new ATOM 617 N LYS A 23 41.344 4.398 8.196 1.00 0.00 N ATOM 618 CA LYS A 23 42.317 4.757 9.220 1.00 0.00 C ATOM 619 C LYS A 23 42.682 3.531 10.044 1.00 0.00 C ATOM 620 O LYS A 23 43.767 3.459 10.618 1.00 0.00 O ATOM 621 CB LYS A 23 41.747 5.839 10.142 1.00 0.00 C ATOM 622 CG LYS A 23 41.274 7.111 9.445 1.00 0.00 C ATOM 623 CD LYS A 23 42.423 8.012 9.046 1.00 0.00 C ATOM 624 CE LYS A 23 42.912 7.710 7.650 1.00 0.00 C ATOM 625 NZ LYS A 23 41.857 7.961 6.633 1.00 0.00 N ATOM 0 H LYS A 23 40.388 4.684 8.410 1.00 0.00 H new ATOM 0 HA LYS A 23 43.210 5.143 8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 23 40.909 5.416 10.696 1.00 0.00 H new ATOM 0 HB3 LYS A 23 42.509 6.108 10.873 1.00 0.00 H new ATOM 0 HG2 LYS A 23 40.700 6.844 8.558 1.00 0.00 H new ATOM 0 HG3 LYS A 23 40.601 7.656 10.107 1.00 0.00 H new ATOM 0 HD2 LYS A 23 42.105 9.053 9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 23 43.243 7.890 9.753 1.00 0.00 H new ATOM 0 HE2 LYS A 23 43.785 8.325 7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 23 43.232 6.670 7.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 42.301 8.210 5.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 41.280 7.104 6.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 41.251 8.745 6.948 1.00 0.00 H new ATOM 639 N LEU A 24 41.760 2.575 10.108 1.00 0.00 N ATOM 640 CA LEU A 24 41.990 1.336 10.826 1.00 0.00 C ATOM 641 C LEU A 24 43.162 0.585 10.223 1.00 0.00 C ATOM 642 O LEU A 24 43.085 0.082 9.101 1.00 0.00 O ATOM 643 CB LEU A 24 40.735 0.461 10.821 1.00 0.00 C ATOM 644 CG LEU A 24 39.607 0.923 11.742 1.00 0.00 C ATOM 645 CD1 LEU A 24 38.373 0.056 11.544 1.00 0.00 C ATOM 646 CD2 LEU A 24 40.062 0.876 13.199 1.00 0.00 C ATOM 0 H LEU A 24 40.843 2.640 9.667 1.00 0.00 H new ATOM 0 HA LEU A 24 42.228 1.582 11.861 1.00 0.00 H new ATOM 0 HB2 LEU A 24 40.351 0.412 9.802 1.00 0.00 H new ATOM 0 HB3 LEU A 24 41.019 -0.553 11.104 1.00 0.00 H new ATOM 0 HG LEU A 24 39.351 1.952 11.490 1.00 0.00 H new ATOM 0 HD11 LEU A 24 37.578 0.398 12.207 1.00 0.00 H new ATOM 0 HD12 LEU A 24 38.039 0.130 10.509 1.00 0.00 H new ATOM 0 HD13 LEU A 24 38.616 -0.981 11.774 1.00 0.00 H new ATOM 0 HD21 LEU A 24 39.249 1.208 13.845 1.00 0.00 H new ATOM 0 HD22 LEU A 24 40.340 -0.145 13.461 1.00 0.00 H new ATOM 0 HD23 LEU A 24 40.922 1.532 13.333 1.00 0.00 H new ATOM 658 N GLY A 25 44.242 0.513 10.970 1.00 0.00 N ATOM 659 CA GLY A 25 45.433 -0.140 10.487 1.00 0.00 C ATOM 660 C GLY A 25 46.547 0.846 10.211 1.00 0.00 C ATOM 661 O GLY A 25 47.717 0.469 10.154 1.00 0.00 O ATOM 0 H GLY A 25 44.317 0.898 11.911 1.00 0.00 H new ATOM 0 HA2 GLY A 25 45.769 -0.871 11.222 1.00 0.00 H new ATOM 0 HA3 GLY A 25 45.201 -0.689 9.575 1.00 0.00 H new ATOM 665 N GLN A 26 46.191 2.111 10.052 1.00 0.00 N ATOM 666 CA GLN A 26 47.168 3.146 9.795 1.00 0.00 C ATOM 667 C GLN A 26 47.741 3.666 11.098 1.00 0.00 C ATOM 668 O GLN A 26 47.033 3.770 12.104 1.00 0.00 O ATOM 669 CB GLN A 26 46.554 4.306 9.011 1.00 0.00 C ATOM 670 CG GLN A 26 46.238 3.996 7.558 1.00 0.00 C ATOM 671 CD GLN A 26 45.846 5.242 6.780 1.00 0.00 C ATOM 672 OE1 GLN A 26 46.293 6.348 7.088 1.00 0.00 O ATOM 673 NE2 GLN A 26 45.015 5.076 5.771 1.00 0.00 N ATOM 0 H GLN A 26 45.227 2.442 10.097 1.00 0.00 H new ATOM 0 HA GLN A 26 47.965 2.705 9.197 1.00 0.00 H new ATOM 0 HB2 GLN A 26 45.636 4.617 9.509 1.00 0.00 H new ATOM 0 HB3 GLN A 26 47.239 5.153 9.047 1.00 0.00 H new ATOM 0 HG2 GLN A 26 47.107 3.535 7.089 1.00 0.00 H new ATOM 0 HG3 GLN A 26 45.427 3.269 7.511 1.00 0.00 H new ATOM 0 HE21 GLN A 26 44.666 4.144 5.546 1.00 0.00 H new ATOM 0 HE22 GLN A 26 44.721 5.879 5.215 1.00 0.00 H new ATOM 682 N VAL A 27 49.013 3.986 11.079 1.00 0.00 N ATOM 683 CA VAL A 27 49.679 4.516 12.242 1.00 0.00 C ATOM 684 C VAL A 27 50.168 5.943 11.968 1.00 0.00 C ATOM 685 O VAL A 27 50.813 6.208 10.944 1.00 0.00 O ATOM 686 CB VAL A 27 50.858 3.605 12.687 1.00 0.00 C ATOM 687 CG1 VAL A 27 51.848 3.389 11.557 1.00 0.00 C ATOM 688 CG2 VAL A 27 51.553 4.177 13.915 1.00 0.00 C ATOM 0 H VAL A 27 49.612 3.886 10.260 1.00 0.00 H new ATOM 0 HA VAL A 27 48.959 4.543 13.060 1.00 0.00 H new ATOM 0 HB VAL A 27 50.442 2.633 12.953 1.00 0.00 H new ATOM 0 HG11 VAL A 27 52.659 2.748 11.902 1.00 0.00 H new ATOM 0 HG12 VAL A 27 51.342 2.914 10.716 1.00 0.00 H new ATOM 0 HG13 VAL A 27 52.254 4.350 11.240 1.00 0.00 H new ATOM 0 HG21 VAL A 27 52.374 3.522 14.207 1.00 0.00 H new ATOM 0 HG22 VAL A 27 51.944 5.168 13.683 1.00 0.00 H new ATOM 0 HG23 VAL A 27 50.839 4.252 14.735 1.00 0.00 H new ATOM 698 N GLY A 28 49.843 6.854 12.863 1.00 0.00 N ATOM 699 CA GLY A 28 50.228 8.235 12.687 1.00 0.00 C ATOM 700 C GLY A 28 50.803 8.822 13.947 1.00 0.00 C ATOM 701 O GLY A 28 50.873 8.149 14.966 1.00 0.00 O ATOM 0 H GLY A 28 49.316 6.662 13.715 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.962 8.308 11.885 1.00 0.00 H new ATOM 0 HA3 GLY A 28 49.360 8.817 12.378 1.00 0.00 H new ATOM 705 N GLN A 29 51.193 10.076 13.890 1.00 0.00 N ATOM 706 CA GLN A 29 51.790 10.729 15.036 1.00 0.00 C ATOM 707 C GLN A 29 50.788 11.652 15.724 1.00 0.00 C ATOM 708 O GLN A 29 49.988 12.324 15.063 1.00 0.00 O ATOM 709 CB GLN A 29 53.029 11.521 14.617 1.00 0.00 C ATOM 710 CG GLN A 29 53.834 12.058 15.788 1.00 0.00 C ATOM 711 CD GLN A 29 54.996 12.926 15.356 1.00 0.00 C ATOM 712 OE1 GLN A 29 54.935 13.602 14.333 1.00 0.00 O ATOM 713 NE2 GLN A 29 56.056 12.914 16.133 1.00 0.00 N ATOM 0 H GLN A 29 51.108 10.665 13.062 1.00 0.00 H new ATOM 0 HA GLN A 29 52.088 9.956 15.744 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.670 10.882 14.009 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.721 12.355 13.986 1.00 0.00 H new ATOM 0 HG2 GLN A 29 53.178 12.636 16.439 1.00 0.00 H new ATOM 0 HG3 GLN A 29 54.211 11.222 16.377 1.00 0.00 H new ATOM 0 HE21 GLN A 29 56.065 12.338 16.974 1.00 0.00 H new ATOM 0 HE22 GLN A 29 56.870 13.481 15.895 1.00 0.00 H new ATOM 722 N ILE A 30 50.829 11.668 17.044 1.00 0.00 N ATOM 723 CA ILE A 30 49.967 12.525 17.839 1.00 0.00 C ATOM 724 C ILE A 30 50.448 13.964 17.760 1.00 0.00 C ATOM 725 O ILE A 30 51.542 14.285 18.234 1.00 0.00 O ATOM 726 CB ILE A 30 49.958 12.092 19.328 1.00 0.00 C ATOM 727 CG1 ILE A 30 49.460 10.652 19.468 1.00 0.00 C ATOM 728 CG2 ILE A 30 49.103 13.044 20.160 1.00 0.00 C ATOM 729 CD1 ILE A 30 49.495 10.132 20.893 1.00 0.00 C ATOM 0 H ILE A 30 51.461 11.087 17.596 1.00 0.00 H new ATOM 0 HA ILE A 30 48.958 12.438 17.436 1.00 0.00 H new ATOM 0 HB ILE A 30 50.980 12.136 19.704 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.438 10.592 19.093 1.00 0.00 H new ATOM 0 HG13 ILE A 30 50.069 10.003 18.838 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.110 12.723 21.202 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.508 14.053 20.089 1.00 0.00 H new ATOM 0 HG23 ILE A 30 48.080 13.036 19.785 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.128 9.106 20.915 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.519 10.159 21.265 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.863 10.757 21.524 1.00 0.00 H new ATOM 741 N THR A 31 49.647 14.818 17.162 1.00 0.00 N ATOM 742 CA THR A 31 49.991 16.214 17.047 1.00 0.00 C ATOM 743 C THR A 31 49.430 17.017 18.212 1.00 0.00 C ATOM 744 O THR A 31 49.879 18.132 18.491 1.00 0.00 O ATOM 745 CB THR A 31 49.503 16.797 15.721 1.00 0.00 C ATOM 746 OG1 THR A 31 48.170 16.341 15.447 1.00 0.00 O ATOM 747 CG2 THR A 31 50.429 16.392 14.583 1.00 0.00 C ATOM 0 H THR A 31 48.750 14.567 16.747 1.00 0.00 H new ATOM 0 HA THR A 31 51.078 16.283 17.073 1.00 0.00 H new ATOM 0 HB THR A 31 49.504 17.884 15.801 1.00 0.00 H new ATOM 0 HG1 THR A 31 47.863 16.719 14.597 1.00 0.00 H new ATOM 0 HG21 THR A 31 50.064 16.817 13.648 1.00 0.00 H new ATOM 0 HG22 THR A 31 51.434 16.763 14.782 1.00 0.00 H new ATOM 0 HG23 THR A 31 50.453 15.305 14.503 1.00 0.00 H new ATOM 755 N GLY A 32 48.453 16.448 18.902 1.00 0.00 N ATOM 756 CA GLY A 32 47.878 17.119 20.039 1.00 0.00 C ATOM 757 C GLY A 32 46.667 16.406 20.578 1.00 0.00 C ATOM 758 O GLY A 32 46.222 15.403 20.012 1.00 0.00 O ATOM 0 H GLY A 32 48.051 15.534 18.692 1.00 0.00 H new ATOM 0 HA2 GLY A 32 48.628 17.201 20.826 1.00 0.00 H new ATOM 0 HA3 GLY A 32 47.601 18.135 19.756 1.00 0.00 H new ATOM 762 N PHE A 33 46.135 16.915 21.668 1.00 0.00 N ATOM 763 CA PHE A 33 44.957 16.342 22.284 1.00 0.00 C ATOM 764 C PHE A 33 43.756 17.225 22.024 1.00 0.00 C ATOM 765 O PHE A 33 43.864 18.453 22.018 1.00 0.00 O ATOM 766 CB PHE A 33 45.163 16.156 23.791 1.00 0.00 C ATOM 767 CG PHE A 33 46.127 15.057 24.143 1.00 0.00 C ATOM 768 CD1 PHE A 33 45.678 13.759 24.324 1.00 0.00 C ATOM 769 CD2 PHE A 33 47.479 15.320 24.294 1.00 0.00 C ATOM 770 CE1 PHE A 33 46.556 12.745 24.649 1.00 0.00 C ATOM 771 CE2 PHE A 33 48.364 14.308 24.618 1.00 0.00 C ATOM 772 CZ PHE A 33 47.900 13.019 24.796 1.00 0.00 C ATOM 0 H PHE A 33 46.504 17.734 22.151 1.00 0.00 H new ATOM 0 HA PHE A 33 44.780 15.361 21.843 1.00 0.00 H new ATOM 0 HB2 PHE A 33 45.524 17.092 24.217 1.00 0.00 H new ATOM 0 HB3 PHE A 33 44.200 15.944 24.256 1.00 0.00 H new ATOM 0 HD1 PHE A 33 44.627 13.538 24.209 1.00 0.00 H new ATOM 0 HD2 PHE A 33 47.846 16.327 24.157 1.00 0.00 H new ATOM 0 HE1 PHE A 33 46.191 11.738 24.788 1.00 0.00 H new ATOM 0 HE2 PHE A 33 49.416 14.525 24.732 1.00 0.00 H new ATOM 0 HZ PHE A 33 48.589 12.227 25.050 1.00 0.00 H new ATOM 782 N LYS A 34 42.621 16.608 21.812 1.00 0.00 N ATOM 783 CA LYS A 34 41.406 17.332 21.523 1.00 0.00 C ATOM 784 C LYS A 34 40.392 17.098 22.625 1.00 0.00 C ATOM 785 O LYS A 34 40.082 15.956 22.955 1.00 0.00 O ATOM 786 CB LYS A 34 40.822 16.870 20.188 1.00 0.00 C ATOM 787 CG LYS A 34 39.747 17.788 19.646 1.00 0.00 C ATOM 788 CD LYS A 34 38.962 17.134 18.524 1.00 0.00 C ATOM 789 CE LYS A 34 37.924 18.085 17.945 1.00 0.00 C ATOM 790 NZ LYS A 34 36.962 18.565 18.973 1.00 0.00 N ATOM 0 H LYS A 34 42.512 15.594 21.834 1.00 0.00 H new ATOM 0 HA LYS A 34 41.638 18.395 21.463 1.00 0.00 H new ATOM 0 HB2 LYS A 34 41.626 16.794 19.456 1.00 0.00 H new ATOM 0 HB3 LYS A 34 40.406 15.870 20.310 1.00 0.00 H new ATOM 0 HG2 LYS A 34 39.067 18.067 20.451 1.00 0.00 H new ATOM 0 HG3 LYS A 34 40.204 18.708 19.282 1.00 0.00 H new ATOM 0 HD2 LYS A 34 39.646 16.816 17.737 1.00 0.00 H new ATOM 0 HD3 LYS A 34 38.468 16.237 18.898 1.00 0.00 H new ATOM 0 HE2 LYS A 34 38.429 18.940 17.496 1.00 0.00 H new ATOM 0 HE3 LYS A 34 37.378 17.581 17.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 36.163 19.039 18.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 36.610 17.756 19.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 37.439 19.236 19.609 1.00 0.00 H new ATOM 804 N MET A 35 39.882 18.165 23.198 1.00 0.00 N ATOM 805 CA MET A 35 38.881 18.031 24.238 1.00 0.00 C ATOM 806 C MET A 35 37.531 17.667 23.627 1.00 0.00 C ATOM 807 O MET A 35 36.958 18.434 22.848 1.00 0.00 O ATOM 808 CB MET A 35 38.780 19.309 25.098 1.00 0.00 C ATOM 809 CG MET A 35 38.394 20.569 24.331 1.00 0.00 C ATOM 810 SD MET A 35 38.292 22.032 25.390 1.00 0.00 S ATOM 811 CE MET A 35 36.947 21.567 26.488 1.00 0.00 C ATOM 0 H MET A 35 40.138 19.125 22.967 1.00 0.00 H new ATOM 0 HA MET A 35 39.189 17.223 24.902 1.00 0.00 H new ATOM 0 HB2 MET A 35 38.046 19.142 25.887 1.00 0.00 H new ATOM 0 HB3 MET A 35 39.740 19.478 25.586 1.00 0.00 H new ATOM 0 HG2 MET A 35 39.125 20.747 23.543 1.00 0.00 H new ATOM 0 HG3 MET A 35 37.432 20.411 23.843 1.00 0.00 H new ATOM 0 HE1 MET A 35 36.540 22.460 26.963 1.00 0.00 H new ATOM 0 HE2 MET A 35 36.163 21.072 25.914 1.00 0.00 H new ATOM 0 HE3 MET A 35 37.321 20.887 27.253 1.00 0.00 H new ATOM 821 N THR A 36 37.058 16.479 23.936 1.00 0.00 N ATOM 822 CA THR A 36 35.779 16.030 23.445 1.00 0.00 C ATOM 823 C THR A 36 34.732 16.116 24.546 1.00 0.00 C ATOM 824 O THR A 36 34.759 15.345 25.514 1.00 0.00 O ATOM 825 CB THR A 36 35.863 14.593 22.895 1.00 0.00 C ATOM 826 OG1 THR A 36 36.558 13.752 23.822 1.00 0.00 O ATOM 827 CG2 THR A 36 36.584 14.571 21.554 1.00 0.00 C ATOM 0 H THR A 36 37.545 15.806 24.528 1.00 0.00 H new ATOM 0 HA THR A 36 35.485 16.685 22.625 1.00 0.00 H new ATOM 0 HB THR A 36 34.848 14.222 22.756 1.00 0.00 H new ATOM 0 HG1 THR A 36 36.486 14.129 24.724 1.00 0.00 H new ATOM 0 HG21 THR A 36 36.632 13.547 21.184 1.00 0.00 H new ATOM 0 HG22 THR A 36 36.042 15.190 20.839 1.00 0.00 H new ATOM 0 HG23 THR A 36 37.595 14.960 21.678 1.00 0.00 H new ATOM 835 N ASP A 37 33.829 17.065 24.396 1.00 0.00 N ATOM 836 CA ASP A 37 32.794 17.324 25.389 1.00 0.00 C ATOM 837 C ASP A 37 31.886 16.119 25.594 1.00 0.00 C ATOM 838 O ASP A 37 31.173 15.698 24.681 1.00 0.00 O ATOM 839 CB ASP A 37 31.968 18.542 24.985 1.00 0.00 C ATOM 840 CG ASP A 37 30.874 18.860 25.981 1.00 0.00 C ATOM 841 OD1 ASP A 37 31.188 19.408 27.059 1.00 0.00 O ATOM 842 OD2 ASP A 37 29.693 18.586 25.686 1.00 0.00 O ATOM 0 H ASP A 37 33.788 17.681 23.584 1.00 0.00 H new ATOM 0 HA ASP A 37 33.293 17.524 26.337 1.00 0.00 H new ATOM 0 HB2 ASP A 37 32.626 19.406 24.885 1.00 0.00 H new ATOM 0 HB3 ASP A 37 31.523 18.366 24.006 1.00 0.00 H new ATOM 847 N GLY A 38 31.940 15.558 26.790 1.00 0.00 N ATOM 848 CA GLY A 38 31.086 14.441 27.130 1.00 0.00 C ATOM 849 C GLY A 38 31.518 13.138 26.497 1.00 0.00 C ATOM 850 O GLY A 38 30.722 12.203 26.395 1.00 0.00 O ATOM 0 H GLY A 38 32.565 15.859 27.537 1.00 0.00 H new ATOM 0 HA2 GLY A 38 31.071 14.322 28.213 1.00 0.00 H new ATOM 0 HA3 GLY A 38 30.066 14.666 26.820 1.00 0.00 H new ATOM 854 N SER A 39 32.762 13.064 26.068 1.00 0.00 N ATOM 855 CA SER A 39 33.270 11.852 25.447 1.00 0.00 C ATOM 856 C SER A 39 34.677 11.527 25.952 1.00 0.00 C ATOM 857 O SER A 39 35.354 10.651 25.415 1.00 0.00 O ATOM 858 CB SER A 39 33.276 12.009 23.927 1.00 0.00 C ATOM 859 OG SER A 39 32.016 12.485 23.454 1.00 0.00 O ATOM 0 H SER A 39 33.439 13.824 26.136 1.00 0.00 H new ATOM 0 HA SER A 39 32.614 11.025 25.718 1.00 0.00 H new ATOM 0 HB2 SER A 39 34.064 12.703 23.633 1.00 0.00 H new ATOM 0 HB3 SER A 39 33.505 11.051 23.460 1.00 0.00 H new ATOM 0 HG SER A 39 32.047 12.578 22.479 1.00 0.00 H new ATOM 865 N GLY A 40 35.102 12.226 26.994 1.00 0.00 N ATOM 866 CA GLY A 40 36.427 12.013 27.531 1.00 0.00 C ATOM 867 C GLY A 40 37.454 12.865 26.824 1.00 0.00 C ATOM 868 O GLY A 40 37.213 14.056 26.574 1.00 0.00 O ATOM 0 H GLY A 40 34.552 12.937 27.476 1.00 0.00 H new ATOM 0 HA2 GLY A 40 36.431 12.245 28.596 1.00 0.00 H new ATOM 0 HA3 GLY A 40 36.696 10.961 27.433 1.00 0.00 H new ATOM 872 N VAL A 41 38.588 12.278 26.492 1.00 0.00 N ATOM 873 CA VAL A 41 39.635 13.003 25.796 1.00 0.00 C ATOM 874 C VAL A 41 39.908 12.387 24.427 1.00 0.00 C ATOM 875 O VAL A 41 39.997 11.161 24.286 1.00 0.00 O ATOM 876 CB VAL A 41 40.952 13.048 26.615 1.00 0.00 C ATOM 877 CG1 VAL A 41 42.025 13.836 25.873 1.00 0.00 C ATOM 878 CG2 VAL A 41 40.707 13.653 27.990 1.00 0.00 C ATOM 0 H VAL A 41 38.808 11.302 26.692 1.00 0.00 H new ATOM 0 HA VAL A 41 39.277 14.024 25.667 1.00 0.00 H new ATOM 0 HB VAL A 41 41.305 12.025 26.744 1.00 0.00 H new ATOM 0 HG11 VAL A 41 42.939 13.854 26.467 1.00 0.00 H new ATOM 0 HG12 VAL A 41 42.225 13.362 24.912 1.00 0.00 H new ATOM 0 HG13 VAL A 41 41.679 14.856 25.709 1.00 0.00 H new ATOM 0 HG21 VAL A 41 41.642 13.676 28.549 1.00 0.00 H new ATOM 0 HG22 VAL A 41 40.326 14.668 27.878 1.00 0.00 H new ATOM 0 HG23 VAL A 41 39.977 13.049 28.529 1.00 0.00 H new ATOM 888 N GLY A 42 40.024 13.237 23.426 1.00 0.00 N ATOM 889 CA GLY A 42 40.326 12.781 22.099 1.00 0.00 C ATOM 890 C GLY A 42 41.764 13.077 21.734 1.00 0.00 C ATOM 891 O GLY A 42 42.391 13.960 22.319 1.00 0.00 O ATOM 0 H GLY A 42 39.912 14.247 23.514 1.00 0.00 H new ATOM 0 HA2 GLY A 42 40.144 11.709 22.030 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.660 13.265 21.385 1.00 0.00 H new ATOM 895 N VAL A 43 42.283 12.349 20.784 1.00 0.00 N ATOM 896 CA VAL A 43 43.653 12.507 20.353 1.00 0.00 C ATOM 897 C VAL A 43 43.705 12.780 18.853 1.00 0.00 C ATOM 898 O VAL A 43 43.156 12.016 18.058 1.00 0.00 O ATOM 899 CB VAL A 43 44.481 11.236 20.669 1.00 0.00 C ATOM 900 CG1 VAL A 43 45.935 11.430 20.290 1.00 0.00 C ATOM 901 CG2 VAL A 43 44.357 10.862 22.140 1.00 0.00 C ATOM 0 H VAL A 43 41.769 11.625 20.282 1.00 0.00 H new ATOM 0 HA VAL A 43 44.080 13.351 20.894 1.00 0.00 H new ATOM 0 HB VAL A 43 44.080 10.417 20.072 1.00 0.00 H new ATOM 0 HG11 VAL A 43 46.495 10.524 20.521 1.00 0.00 H new ATOM 0 HG12 VAL A 43 46.008 11.639 19.223 1.00 0.00 H new ATOM 0 HG13 VAL A 43 46.349 12.267 20.853 1.00 0.00 H new ATOM 0 HG21 VAL A 43 44.946 9.967 22.339 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.724 11.683 22.756 1.00 0.00 H new ATOM 0 HG23 VAL A 43 43.311 10.668 22.379 1.00 0.00 H new ATOM 911 N ILE A 44 44.353 13.868 18.472 1.00 0.00 N ATOM 912 CA ILE A 44 44.481 14.218 17.069 1.00 0.00 C ATOM 913 C ILE A 44 45.693 13.519 16.468 1.00 0.00 C ATOM 914 O ILE A 44 46.839 13.806 16.832 1.00 0.00 O ATOM 915 CB ILE A 44 44.594 15.749 16.865 1.00 0.00 C ATOM 916 CG1 ILE A 44 43.350 16.448 17.422 1.00 0.00 C ATOM 917 CG2 ILE A 44 44.775 16.081 15.386 1.00 0.00 C ATOM 918 CD1 ILE A 44 43.381 17.956 17.291 1.00 0.00 C ATOM 0 H ILE A 44 44.798 14.523 19.115 1.00 0.00 H new ATOM 0 HA ILE A 44 43.577 13.884 16.560 1.00 0.00 H new ATOM 0 HB ILE A 44 45.469 16.109 17.406 1.00 0.00 H new ATOM 0 HG12 ILE A 44 42.469 16.067 16.905 1.00 0.00 H new ATOM 0 HG13 ILE A 44 43.240 16.187 18.475 1.00 0.00 H new ATOM 0 HG21 ILE A 44 44.852 17.161 15.262 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.684 15.607 15.015 1.00 0.00 H new ATOM 0 HG23 ILE A 44 43.918 15.712 14.823 1.00 0.00 H new ATOM 0 HD11 ILE A 44 42.466 18.376 17.708 1.00 0.00 H new ATOM 0 HD12 ILE A 44 44.241 18.351 17.832 1.00 0.00 H new ATOM 0 HD13 ILE A 44 43.459 18.228 16.238 1.00 0.00 H new ATOM 930 N VAL A 45 45.434 12.591 15.567 1.00 0.00 N ATOM 931 CA VAL A 45 46.490 11.806 14.960 1.00 0.00 C ATOM 932 C VAL A 45 46.710 12.207 13.510 1.00 0.00 C ATOM 933 O VAL A 45 45.766 12.256 12.717 1.00 0.00 O ATOM 934 CB VAL A 45 46.159 10.294 15.007 1.00 0.00 C ATOM 935 CG1 VAL A 45 47.359 9.456 14.565 1.00 0.00 C ATOM 936 CG2 VAL A 45 45.687 9.888 16.396 1.00 0.00 C ATOM 0 H VAL A 45 44.496 12.362 15.238 1.00 0.00 H new ATOM 0 HA VAL A 45 47.397 12.000 15.533 1.00 0.00 H new ATOM 0 HB VAL A 45 45.346 10.103 14.307 1.00 0.00 H new ATOM 0 HG11 VAL A 45 47.099 8.398 14.607 1.00 0.00 H new ATOM 0 HG12 VAL A 45 47.632 9.722 13.544 1.00 0.00 H new ATOM 0 HG13 VAL A 45 48.202 9.650 15.228 1.00 0.00 H new ATOM 0 HG21 VAL A 45 45.460 8.822 16.406 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.471 10.099 17.123 1.00 0.00 H new ATOM 0 HG23 VAL A 45 44.791 10.452 16.655 1.00 0.00 H new ATOM 946 N THR A 46 47.947 12.506 13.177 1.00 0.00 N ATOM 947 CA THR A 46 48.318 12.807 11.817 1.00 0.00 C ATOM 948 C THR A 46 49.039 11.605 11.222 1.00 0.00 C ATOM 949 O THR A 46 50.169 11.288 11.608 1.00 0.00 O ATOM 950 CB THR A 46 49.217 14.055 11.740 1.00 0.00 C ATOM 951 OG1 THR A 46 48.508 15.186 12.269 1.00 0.00 O ATOM 952 CG2 THR A 46 49.626 14.342 10.301 1.00 0.00 C ATOM 0 H THR A 46 48.720 12.546 13.841 1.00 0.00 H new ATOM 0 HA THR A 46 47.413 13.020 11.248 1.00 0.00 H new ATOM 0 HB THR A 46 50.118 13.871 12.326 1.00 0.00 H new ATOM 0 HG1 THR A 46 48.922 16.013 11.944 1.00 0.00 H new ATOM 0 HG21 THR A 46 50.260 15.228 10.273 1.00 0.00 H new ATOM 0 HG22 THR A 46 50.175 13.489 9.902 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.735 14.514 9.697 1.00 0.00 H new ATOM 960 N PHE A 47 48.375 10.924 10.314 1.00 0.00 N ATOM 961 CA PHE A 47 48.912 9.716 9.720 1.00 0.00 C ATOM 962 C PHE A 47 49.902 10.029 8.613 1.00 0.00 C ATOM 963 O PHE A 47 49.983 11.162 8.142 1.00 0.00 O ATOM 964 CB PHE A 47 47.775 8.843 9.185 1.00 0.00 C ATOM 965 CG PHE A 47 46.784 8.444 10.244 1.00 0.00 C ATOM 966 CD1 PHE A 47 45.681 9.236 10.514 1.00 0.00 C ATOM 967 CD2 PHE A 47 46.963 7.285 10.973 1.00 0.00 C ATOM 968 CE1 PHE A 47 44.775 8.878 11.491 1.00 0.00 C ATOM 969 CE2 PHE A 47 46.060 6.919 11.950 1.00 0.00 C ATOM 970 CZ PHE A 47 44.966 7.715 12.209 1.00 0.00 C ATOM 0 H PHE A 47 47.453 11.189 9.967 1.00 0.00 H new ATOM 0 HA PHE A 47 49.448 9.171 10.497 1.00 0.00 H new ATOM 0 HB2 PHE A 47 47.254 9.382 8.394 1.00 0.00 H new ATOM 0 HB3 PHE A 47 48.197 7.945 8.735 1.00 0.00 H new ATOM 0 HD1 PHE A 47 45.528 10.146 9.953 1.00 0.00 H new ATOM 0 HD2 PHE A 47 47.820 6.658 10.776 1.00 0.00 H new ATOM 0 HE1 PHE A 47 43.920 9.506 11.693 1.00 0.00 H new ATOM 0 HE2 PHE A 47 46.211 6.009 12.511 1.00 0.00 H new ATOM 0 HZ PHE A 47 44.258 7.429 12.973 1.00 0.00 H new ATOM 980 N ASP A 48 50.651 9.007 8.202 1.00 0.00 N ATOM 981 CA ASP A 48 51.640 9.124 7.118 1.00 0.00 C ATOM 982 C ASP A 48 50.968 9.565 5.816 1.00 0.00 C ATOM 983 O ASP A 48 51.599 10.140 4.927 1.00 0.00 O ATOM 984 CB ASP A 48 52.350 7.779 6.931 1.00 0.00 C ATOM 985 CG ASP A 48 53.246 7.732 5.711 1.00 0.00 C ATOM 986 OD1 ASP A 48 54.361 8.291 5.760 1.00 0.00 O ATOM 987 OD2 ASP A 48 52.853 7.116 4.705 1.00 0.00 O ATOM 0 H ASP A 48 50.594 8.073 8.607 1.00 0.00 H new ATOM 0 HA ASP A 48 52.375 9.883 7.386 1.00 0.00 H new ATOM 0 HB2 ASP A 48 52.946 7.566 7.818 1.00 0.00 H new ATOM 0 HB3 ASP A 48 51.602 6.990 6.853 1.00 0.00 H new ATOM 992 N ASP A 49 49.673 9.302 5.735 1.00 0.00 N ATOM 993 CA ASP A 49 48.847 9.676 4.588 1.00 0.00 C ATOM 994 C ASP A 49 48.561 11.198 4.586 1.00 0.00 C ATOM 995 O ASP A 49 47.876 11.713 3.707 1.00 0.00 O ATOM 996 CB ASP A 49 47.535 8.867 4.639 1.00 0.00 C ATOM 997 CG ASP A 49 46.529 9.244 3.569 1.00 0.00 C ATOM 998 OD1 ASP A 49 46.821 9.057 2.377 1.00 0.00 O ATOM 999 OD2 ASP A 49 45.426 9.709 3.929 1.00 0.00 O ATOM 0 H ASP A 49 49.157 8.818 6.469 1.00 0.00 H new ATOM 0 HA ASP A 49 49.379 9.447 3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 49 47.771 7.807 4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 49 47.075 9.003 5.618 1.00 0.00 H new ATOM 1004 N ARG A 50 49.105 11.900 5.592 1.00 0.00 N ATOM 1005 CA ARG A 50 48.939 13.358 5.751 1.00 0.00 C ATOM 1006 C ARG A 50 47.523 13.731 6.161 1.00 0.00 C ATOM 1007 O ARG A 50 47.164 14.909 6.203 1.00 0.00 O ATOM 1008 CB ARG A 50 49.339 14.123 4.488 1.00 0.00 C ATOM 1009 CG ARG A 50 50.835 14.202 4.250 1.00 0.00 C ATOM 1010 CD ARG A 50 51.142 15.096 3.064 1.00 0.00 C ATOM 1011 NE ARG A 50 50.526 16.421 3.211 1.00 0.00 N ATOM 1012 CZ ARG A 50 50.041 17.144 2.195 1.00 0.00 C ATOM 1013 NH1 ARG A 50 50.139 16.696 0.948 1.00 0.00 N ATOM 1014 NH2 ARG A 50 49.465 18.318 2.429 1.00 0.00 N ATOM 0 H ARG A 50 49.675 11.473 6.322 1.00 0.00 H new ATOM 0 HA ARG A 50 49.614 13.652 6.555 1.00 0.00 H new ATOM 0 HB2 ARG A 50 48.871 13.647 3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 50 48.939 15.135 4.549 1.00 0.00 H new ATOM 0 HG2 ARG A 50 51.330 14.588 5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 50 51.233 13.203 4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 50 52.222 15.206 2.960 1.00 0.00 H new ATOM 0 HD3 ARG A 50 50.780 14.625 2.150 1.00 0.00 H new ATOM 0 HE ARG A 50 50.464 16.816 4.149 1.00 0.00 H new ATOM 0 HH11 ARG A 50 50.585 15.798 0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 50 49.768 17.250 0.176 1.00 0.00 H new ATOM 0 HH21 ARG A 50 49.392 18.669 3.384 1.00 0.00 H new ATOM 0 HH22 ARG A 50 49.096 18.868 1.654 1.00 0.00 H new ATOM 1028 N SER A 51 46.725 12.736 6.461 1.00 0.00 N ATOM 1029 CA SER A 51 45.375 12.967 6.899 1.00 0.00 C ATOM 1030 C SER A 51 45.318 12.993 8.417 1.00 0.00 C ATOM 1031 O SER A 51 45.809 12.074 9.081 1.00 0.00 O ATOM 1032 CB SER A 51 44.449 11.885 6.349 1.00 0.00 C ATOM 1033 OG SER A 51 44.452 11.894 4.926 1.00 0.00 O ATOM 0 H SER A 51 46.992 11.753 6.409 1.00 0.00 H new ATOM 0 HA SER A 51 45.041 13.933 6.520 1.00 0.00 H new ATOM 0 HB2 SER A 51 44.768 10.908 6.712 1.00 0.00 H new ATOM 0 HB3 SER A 51 43.435 12.046 6.716 1.00 0.00 H new ATOM 0 HG SER A 51 44.677 11.000 4.594 1.00 0.00 H new ATOM 1039 N SER A 52 44.753 14.047 8.961 1.00 0.00 N ATOM 1040 CA SER A 52 44.633 14.180 10.389 1.00 0.00 C ATOM 1041 C SER A 52 43.218 13.845 10.829 1.00 0.00 C ATOM 1042 O SER A 52 42.245 14.267 10.202 1.00 0.00 O ATOM 1043 CB SER A 52 45.014 15.598 10.824 1.00 0.00 C ATOM 1044 OG SER A 52 44.279 16.570 10.094 1.00 0.00 O ATOM 0 H SER A 52 44.368 14.828 8.429 1.00 0.00 H new ATOM 0 HA SER A 52 45.318 13.480 10.867 1.00 0.00 H new ATOM 0 HB2 SER A 52 44.823 15.718 11.890 1.00 0.00 H new ATOM 0 HB3 SER A 52 46.082 15.754 10.671 1.00 0.00 H new ATOM 0 HG SER A 52 44.539 17.467 10.391 1.00 0.00 H new ATOM 1050 N THR A 53 43.101 13.063 11.866 1.00 0.00 N ATOM 1051 CA THR A 53 41.809 12.694 12.389 1.00 0.00 C ATOM 1052 C THR A 53 41.884 12.534 13.893 1.00 0.00 C ATOM 1053 O THR A 53 42.864 12.003 14.422 1.00 0.00 O ATOM 1054 CB THR A 53 41.291 11.384 11.746 1.00 0.00 C ATOM 1055 OG1 THR A 53 41.239 11.535 10.318 1.00 0.00 O ATOM 1056 CG2 THR A 53 39.899 11.032 12.261 1.00 0.00 C ATOM 0 H THR A 53 43.892 12.664 12.372 1.00 0.00 H new ATOM 0 HA THR A 53 41.108 13.492 12.142 1.00 0.00 H new ATOM 0 HB THR A 53 41.976 10.580 12.015 1.00 0.00 H new ATOM 0 HG1 THR A 53 40.913 10.704 9.913 1.00 0.00 H new ATOM 0 HG21 THR A 53 39.561 10.108 11.792 1.00 0.00 H new ATOM 0 HG22 THR A 53 39.934 10.899 13.342 1.00 0.00 H new ATOM 0 HG23 THR A 53 39.206 11.837 12.017 1.00 0.00 H new ATOM 1064 N TRP A 54 40.875 13.018 14.579 1.00 0.00 N ATOM 1065 CA TRP A 54 40.825 12.903 16.008 1.00 0.00 C ATOM 1066 C TRP A 54 40.109 11.628 16.412 1.00 0.00 C ATOM 1067 O TRP A 54 38.980 11.374 15.998 1.00 0.00 O ATOM 1068 CB TRP A 54 40.165 14.141 16.646 1.00 0.00 C ATOM 1069 CG TRP A 54 38.793 14.453 16.118 1.00 0.00 C ATOM 1070 CD1 TRP A 54 38.491 15.163 14.993 1.00 0.00 C ATOM 1071 CD2 TRP A 54 37.539 14.077 16.704 1.00 0.00 C ATOM 1072 NE1 TRP A 54 37.132 15.243 14.839 1.00 0.00 N ATOM 1073 CE2 TRP A 54 36.524 14.585 15.875 1.00 0.00 C ATOM 1074 CE3 TRP A 54 37.177 13.356 17.847 1.00 0.00 C ATOM 1075 CZ2 TRP A 54 35.173 14.397 16.150 1.00 0.00 C ATOM 1076 CZ3 TRP A 54 35.836 13.171 18.119 1.00 0.00 C ATOM 1077 CH2 TRP A 54 34.849 13.688 17.274 1.00 0.00 C ATOM 0 H TRP A 54 40.076 13.497 14.163 1.00 0.00 H new ATOM 0 HA TRP A 54 41.848 12.852 16.381 1.00 0.00 H new ATOM 0 HB2 TRP A 54 40.101 13.989 17.723 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.809 15.005 16.484 1.00 0.00 H new ATOM 0 HD1 TRP A 54 39.217 15.598 14.322 1.00 0.00 H new ATOM 0 HE1 TRP A 54 36.650 15.717 14.075 1.00 0.00 H new ATOM 0 HE3 TRP A 54 37.932 12.952 18.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 34.408 14.796 15.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 35.544 12.618 18.999 1.00 0.00 H new ATOM 0 HH2 TRP A 54 33.809 13.524 17.514 1.00 0.00 H new ATOM 1088 N PHE A 55 40.782 10.820 17.178 1.00 0.00 N ATOM 1089 CA PHE A 55 40.216 9.594 17.674 1.00 0.00 C ATOM 1090 C PHE A 55 40.143 9.646 19.170 1.00 0.00 C ATOM 1091 O PHE A 55 40.739 10.512 19.785 1.00 0.00 O ATOM 1092 CB PHE A 55 41.030 8.389 17.217 1.00 0.00 C ATOM 1093 CG PHE A 55 40.838 8.065 15.771 1.00 0.00 C ATOM 1094 CD1 PHE A 55 39.703 7.399 15.353 1.00 0.00 C ATOM 1095 CD2 PHE A 55 41.785 8.429 14.829 1.00 0.00 C ATOM 1096 CE1 PHE A 55 39.511 7.100 14.026 1.00 0.00 C ATOM 1097 CE2 PHE A 55 41.596 8.131 13.496 1.00 0.00 C ATOM 1098 CZ PHE A 55 40.456 7.465 13.095 1.00 0.00 C ATOM 0 H PHE A 55 41.742 10.991 17.479 1.00 0.00 H new ATOM 0 HA PHE A 55 39.210 9.484 17.269 1.00 0.00 H new ATOM 0 HB2 PHE A 55 42.087 8.581 17.403 1.00 0.00 H new ATOM 0 HB3 PHE A 55 40.753 7.522 17.817 1.00 0.00 H new ATOM 0 HD1 PHE A 55 38.957 7.110 16.078 1.00 0.00 H new ATOM 0 HD2 PHE A 55 42.678 8.950 15.140 1.00 0.00 H new ATOM 0 HE1 PHE A 55 38.618 6.578 13.714 1.00 0.00 H new ATOM 0 HE2 PHE A 55 42.339 8.418 12.767 1.00 0.00 H new ATOM 0 HZ PHE A 55 40.306 7.231 12.052 1.00 0.00 H new ATOM 1108 N PHE A 56 39.425 8.737 19.758 1.00 0.00 N ATOM 1109 CA PHE A 56 39.274 8.742 21.184 1.00 0.00 C ATOM 1110 C PHE A 56 40.434 8.035 21.866 1.00 0.00 C ATOM 1111 O PHE A 56 41.124 7.209 21.259 1.00 0.00 O ATOM 1112 CB PHE A 56 37.934 8.132 21.584 1.00 0.00 C ATOM 1113 CG PHE A 56 36.758 8.888 21.024 1.00 0.00 C ATOM 1114 CD1 PHE A 56 36.198 9.943 21.725 1.00 0.00 C ATOM 1115 CD2 PHE A 56 36.218 8.547 19.793 1.00 0.00 C ATOM 1116 CE1 PHE A 56 35.124 10.642 21.209 1.00 0.00 C ATOM 1117 CE2 PHE A 56 35.146 9.243 19.273 1.00 0.00 C ATOM 1118 CZ PHE A 56 34.599 10.291 19.982 1.00 0.00 C ATOM 0 H PHE A 56 38.935 7.984 19.275 1.00 0.00 H new ATOM 0 HA PHE A 56 39.286 9.778 21.522 1.00 0.00 H new ATOM 0 HB2 PHE A 56 37.893 7.099 21.240 1.00 0.00 H new ATOM 0 HB3 PHE A 56 37.861 8.109 22.671 1.00 0.00 H new ATOM 0 HD1 PHE A 56 36.605 10.222 22.685 1.00 0.00 H new ATOM 0 HD2 PHE A 56 36.642 7.726 19.234 1.00 0.00 H new ATOM 0 HE1 PHE A 56 34.696 11.463 21.765 1.00 0.00 H new ATOM 0 HE2 PHE A 56 34.736 8.967 18.313 1.00 0.00 H new ATOM 0 HZ PHE A 56 33.760 10.837 19.577 1.00 0.00 H new ATOM 1128 N GLU A 57 40.648 8.387 23.120 1.00 0.00 N ATOM 1129 CA GLU A 57 41.713 7.827 23.953 1.00 0.00 C ATOM 1130 C GLU A 57 41.739 6.290 23.918 1.00 0.00 C ATOM 1131 O GLU A 57 42.804 5.677 23.929 1.00 0.00 O ATOM 1132 CB GLU A 57 41.507 8.299 25.389 1.00 0.00 C ATOM 1133 CG GLU A 57 40.090 8.046 25.888 1.00 0.00 C ATOM 1134 CD GLU A 57 39.868 8.462 27.316 1.00 0.00 C ATOM 1135 OE1 GLU A 57 40.309 7.730 28.225 1.00 0.00 O ATOM 1136 OE2 GLU A 57 39.207 9.500 27.537 1.00 0.00 O ATOM 0 H GLU A 57 40.080 9.082 23.604 1.00 0.00 H new ATOM 0 HA GLU A 57 42.668 8.174 23.559 1.00 0.00 H new ATOM 0 HB2 GLU A 57 42.215 7.788 26.041 1.00 0.00 H new ATOM 0 HB3 GLU A 57 41.727 9.365 25.453 1.00 0.00 H new ATOM 0 HG2 GLU A 57 39.388 8.583 25.249 1.00 0.00 H new ATOM 0 HG3 GLU A 57 39.864 6.984 25.789 1.00 0.00 H new ATOM 1143 N ASP A 58 40.564 5.684 23.852 1.00 0.00 N ATOM 1144 CA ASP A 58 40.437 4.230 23.904 1.00 0.00 C ATOM 1145 C ASP A 58 40.214 3.638 22.507 1.00 0.00 C ATOM 1146 O ASP A 58 39.809 2.491 22.366 1.00 0.00 O ATOM 1147 CB ASP A 58 39.265 3.866 24.828 1.00 0.00 C ATOM 1148 CG ASP A 58 39.245 2.406 25.242 1.00 0.00 C ATOM 1149 OD1 ASP A 58 40.171 1.974 25.960 1.00 0.00 O ATOM 1150 OD2 ASP A 58 38.299 1.688 24.869 1.00 0.00 O ATOM 0 H ASP A 58 39.676 6.178 23.762 1.00 0.00 H new ATOM 0 HA ASP A 58 41.364 3.809 24.293 1.00 0.00 H new ATOM 0 HB2 ASP A 58 39.312 4.487 25.722 1.00 0.00 H new ATOM 0 HB3 ASP A 58 38.329 4.104 24.324 1.00 0.00 H new ATOM 1155 N GLU A 59 40.513 4.409 21.486 1.00 0.00 N ATOM 1156 CA GLU A 59 40.277 3.969 20.113 1.00 0.00 C ATOM 1157 C GLU A 59 41.576 3.545 19.430 1.00 0.00 C ATOM 1158 O GLU A 59 41.575 2.749 18.487 1.00 0.00 O ATOM 1159 CB GLU A 59 39.686 5.126 19.326 1.00 0.00 C ATOM 1160 CG GLU A 59 38.793 4.726 18.193 1.00 0.00 C ATOM 1161 CD GLU A 59 37.319 4.789 18.593 1.00 0.00 C ATOM 1162 OE1 GLU A 59 37.020 5.303 19.693 1.00 0.00 O ATOM 1163 OE2 GLU A 59 36.463 4.318 17.827 1.00 0.00 O ATOM 0 H GLU A 59 40.919 5.341 21.570 1.00 0.00 H new ATOM 0 HA GLU A 59 39.600 3.115 20.141 1.00 0.00 H new ATOM 0 HB2 GLU A 59 39.120 5.760 20.009 1.00 0.00 H new ATOM 0 HB3 GLU A 59 40.501 5.732 18.931 1.00 0.00 H new ATOM 0 HG2 GLU A 59 38.968 5.383 17.341 1.00 0.00 H new ATOM 0 HG3 GLU A 59 39.041 3.714 17.872 1.00 0.00 H new ATOM 1170 N VAL A 60 42.685 4.054 19.910 1.00 0.00 N ATOM 1171 CA VAL A 60 43.941 3.808 19.242 1.00 0.00 C ATOM 1172 C VAL A 60 44.995 3.225 20.184 1.00 0.00 C ATOM 1173 O VAL A 60 44.891 3.351 21.407 1.00 0.00 O ATOM 1174 CB VAL A 60 44.475 5.103 18.576 1.00 0.00 C ATOM 1175 CG1 VAL A 60 43.425 5.723 17.667 1.00 0.00 C ATOM 1176 CG2 VAL A 60 44.942 6.108 19.619 1.00 0.00 C ATOM 0 H VAL A 60 42.745 4.633 20.748 1.00 0.00 H new ATOM 0 HA VAL A 60 43.746 3.065 18.469 1.00 0.00 H new ATOM 0 HB VAL A 60 45.335 4.828 17.965 1.00 0.00 H new ATOM 0 HG11 VAL A 60 43.826 6.629 17.213 1.00 0.00 H new ATOM 0 HG12 VAL A 60 43.157 5.013 16.884 1.00 0.00 H new ATOM 0 HG13 VAL A 60 42.539 5.971 18.251 1.00 0.00 H new ATOM 0 HG21 VAL A 60 45.311 7.005 19.121 1.00 0.00 H new ATOM 0 HG22 VAL A 60 44.108 6.371 20.270 1.00 0.00 H new ATOM 0 HG23 VAL A 60 45.742 5.669 20.215 1.00 0.00 H new ATOM 1186 N GLU A 61 45.996 2.579 19.598 1.00 0.00 N ATOM 1187 CA GLU A 61 47.088 1.970 20.345 1.00 0.00 C ATOM 1188 C GLU A 61 48.391 2.707 20.045 1.00 0.00 C ATOM 1189 O GLU A 61 48.521 3.319 18.996 1.00 0.00 O ATOM 1190 CB GLU A 61 47.235 0.493 19.955 1.00 0.00 C ATOM 1191 CG GLU A 61 47.676 0.277 18.511 1.00 0.00 C ATOM 1192 CD GLU A 61 47.926 -1.178 18.178 1.00 0.00 C ATOM 1193 OE1 GLU A 61 48.474 -1.905 19.035 1.00 0.00 O ATOM 1194 OE2 GLU A 61 47.603 -1.597 17.051 1.00 0.00 O ATOM 0 H GLU A 61 46.073 2.463 18.588 1.00 0.00 H new ATOM 0 HA GLU A 61 46.867 2.038 21.410 1.00 0.00 H new ATOM 0 HB2 GLU A 61 47.959 0.022 20.620 1.00 0.00 H new ATOM 0 HB3 GLU A 61 46.282 -0.011 20.113 1.00 0.00 H new ATOM 0 HG2 GLU A 61 46.912 0.671 17.841 1.00 0.00 H new ATOM 0 HG3 GLU A 61 48.586 0.847 18.326 1.00 0.00 H new ATOM 1201 N VAL A 62 49.345 2.641 20.955 1.00 0.00 N ATOM 1202 CA VAL A 62 50.632 3.308 20.763 1.00 0.00 C ATOM 1203 C VAL A 62 51.595 2.399 19.998 1.00 0.00 C ATOM 1204 O VAL A 62 51.689 1.203 20.283 1.00 0.00 O ATOM 1205 CB VAL A 62 51.268 3.713 22.116 1.00 0.00 C ATOM 1206 CG1 VAL A 62 52.552 4.504 21.900 1.00 0.00 C ATOM 1207 CG2 VAL A 62 50.281 4.517 22.946 1.00 0.00 C ATOM 0 H VAL A 62 49.259 2.134 21.836 1.00 0.00 H new ATOM 0 HA VAL A 62 50.448 4.213 20.184 1.00 0.00 H new ATOM 0 HB VAL A 62 51.520 2.802 22.659 1.00 0.00 H new ATOM 0 HG11 VAL A 62 52.978 4.776 22.865 1.00 0.00 H new ATOM 0 HG12 VAL A 62 53.266 3.894 21.347 1.00 0.00 H new ATOM 0 HG13 VAL A 62 52.331 5.408 21.333 1.00 0.00 H new ATOM 0 HG21 VAL A 62 50.743 4.794 23.894 1.00 0.00 H new ATOM 0 HG22 VAL A 62 49.999 5.419 22.403 1.00 0.00 H new ATOM 0 HG23 VAL A 62 49.392 3.916 23.138 1.00 0.00 H new ATOM 1217 N VAL A 63 52.296 2.968 19.026 1.00 0.00 N ATOM 1218 CA VAL A 63 53.231 2.213 18.200 1.00 0.00 C ATOM 1219 C VAL A 63 54.511 3.012 17.997 1.00 0.00 C ATOM 1220 O VAL A 63 54.480 4.121 17.478 1.00 0.00 O ATOM 1221 CB VAL A 63 52.630 1.887 16.801 1.00 0.00 C ATOM 1222 CG1 VAL A 63 53.587 1.029 15.987 1.00 0.00 C ATOM 1223 CG2 VAL A 63 51.279 1.203 16.927 1.00 0.00 C ATOM 0 H VAL A 63 52.234 3.958 18.789 1.00 0.00 H new ATOM 0 HA VAL A 63 53.440 1.279 18.722 1.00 0.00 H new ATOM 0 HB VAL A 63 52.482 2.831 16.277 1.00 0.00 H new ATOM 0 HG11 VAL A 63 53.145 0.814 15.014 1.00 0.00 H new ATOM 0 HG12 VAL A 63 54.527 1.563 15.849 1.00 0.00 H new ATOM 0 HG13 VAL A 63 53.775 0.094 16.514 1.00 0.00 H new ATOM 0 HG21 VAL A 63 50.886 0.989 15.933 1.00 0.00 H new ATOM 0 HG22 VAL A 63 51.393 0.271 17.481 1.00 0.00 H new ATOM 0 HG23 VAL A 63 50.588 1.858 17.457 1.00 0.00 H new ATOM 1233 N GLY A 64 55.624 2.460 18.413 1.00 0.00 N ATOM 1234 CA GLY A 64 56.884 3.138 18.241 1.00 0.00 C ATOM 1235 C GLY A 64 58.006 2.170 17.998 1.00 0.00 C ATOM 1236 O GLY A 64 57.959 1.051 18.547 1.00 0.00 O ATOM 1237 OXT GLY A 64 58.929 2.503 17.234 1.00 0.00 O ATOM 0 H GLY A 64 55.683 1.550 18.870 1.00 0.00 H new ATOM 0 HA2 GLY A 64 56.813 3.831 17.403 1.00 0.00 H new ATOM 0 HA3 GLY A 64 57.102 3.732 19.128 1.00 0.00 H new