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 -142:sc= 1.29 USER MOD Set 1.2: A 46 THR OG1 : rot -159:sc= 1.03 USER MOD Set 2.1: A 23 LYS NZ :NH3+ -177:sc= 0.406 (180deg=0.35) USER MOD Set 2.2: A 26 GLN : amide:sc= -0.0284 K(o=0.38,f=-1.7!) USER MOD Single : A 1 MET CE :methyl 146:sc= -0.122 (180deg=-1.14) USER MOD Single : A 5 GLN : amide:sc= -0.162 K(o=-0.16,f=-0.87) USER MOD Single : A 6 LYS NZ :NH3+ -138:sc= 0.451 (180deg=-0.138) USER MOD Single : A -3 ILE N :NH3+ -151:sc= -0.2 (180deg=-1.41!) USER MOD Single : A 10 CYS SG : rot -50:sc= -0.9 USER MOD Single : A 18 GLN : amide:sc= -0.78 X(o=-0.78,f=-0.92) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 29 GLN : amide:sc= 0.499 K(o=0.5,f=-0.6) USER MOD Single : A 34 LYS NZ :NH3+ 156:sc= 0.0341 (180deg=0) USER MOD Single : A 35 MET CE :methyl -161:sc= -0.208 (180deg=-0.759) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 39 SER OG : rot 107:sc= 0.533 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 32:sc= 0.153 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 181 N ILE A -3 46.430 9.267 30.446 1.00 0.00 N ATOM 182 CA ILE A -3 46.755 9.770 29.130 1.00 0.00 C ATOM 183 C ILE A -3 48.185 10.300 29.105 1.00 0.00 C ATOM 184 O ILE A -3 49.019 9.821 28.339 1.00 0.00 O ATOM 185 CB ILE A -3 45.771 10.897 28.741 1.00 0.00 C ATOM 186 CG1 ILE A -3 44.341 10.414 28.958 1.00 0.00 C ATOM 187 CG2 ILE A -3 45.980 11.336 27.297 1.00 0.00 C ATOM 188 CD1 ILE A -3 43.286 11.466 28.726 1.00 0.00 C ATOM 0 H1 ILE A -3 45.724 8.508 30.363 1.00 0.00 H new ATOM 0 H2 ILE A -3 47.289 8.892 30.896 1.00 0.00 H new ATOM 0 H3 ILE A -3 46.043 10.038 31.027 1.00 0.00 H new ATOM 0 HA ILE A -3 46.670 8.955 28.412 1.00 0.00 H new ATOM 0 HB ILE A -3 45.959 11.764 29.375 1.00 0.00 H new ATOM 0 HG12 ILE A -3 44.150 9.572 28.292 1.00 0.00 H new ATOM 0 HG13 ILE A -3 44.247 10.041 29.978 1.00 0.00 H new ATOM 0 HG21 ILE A -3 45.274 12.129 27.052 1.00 0.00 H new ATOM 0 HG22 ILE A -3 46.998 11.705 27.173 1.00 0.00 H new ATOM 0 HG23 ILE A -3 45.818 10.488 26.632 1.00 0.00 H new ATOM 0 HD11 ILE A -3 42.300 11.037 28.902 1.00 0.00 H new ATOM 0 HD12 ILE A -3 43.447 12.300 29.410 1.00 0.00 H new ATOM 0 HD13 ILE A -3 43.348 11.823 27.698 1.00 0.00 H new ATOM 200 N GLU A -2 48.459 11.269 29.970 1.00 0.00 N ATOM 201 CA GLU A -2 49.775 11.888 30.060 1.00 0.00 C ATOM 202 C GLU A -2 50.843 10.854 30.377 1.00 0.00 C ATOM 203 O GLU A -2 50.667 10.010 31.259 1.00 0.00 O ATOM 204 CB GLU A -2 49.758 12.975 31.131 1.00 0.00 C ATOM 205 CG GLU A -2 51.091 13.669 31.351 1.00 0.00 C ATOM 206 CD GLU A -2 51.016 14.736 32.423 1.00 0.00 C ATOM 207 OE1 GLU A -2 51.217 14.409 33.609 1.00 0.00 O ATOM 208 OE2 GLU A -2 50.754 15.906 32.087 1.00 0.00 O ATOM 0 H GLU A -2 47.777 11.647 30.627 1.00 0.00 H new ATOM 0 HA GLU A -2 50.016 12.335 29.095 1.00 0.00 H new ATOM 0 HB2 GLU A -2 49.015 13.724 30.858 1.00 0.00 H new ATOM 0 HB3 GLU A -2 49.434 12.533 32.073 1.00 0.00 H new ATOM 0 HG2 GLU A -2 51.841 12.929 31.630 1.00 0.00 H new ATOM 0 HG3 GLU A -2 51.421 14.120 30.415 1.00 0.00 H new ATOM 215 N GLY A -1 51.934 10.905 29.631 1.00 0.00 N ATOM 216 CA GLY A -1 53.024 9.978 29.841 1.00 0.00 C ATOM 217 C GLY A -1 52.841 8.686 29.076 1.00 0.00 C ATOM 218 O GLY A -1 53.813 8.019 28.734 1.00 0.00 O ATOM 0 H GLY A -1 52.085 11.577 28.879 1.00 0.00 H new ATOM 0 HA2 GLY A -1 53.960 10.447 29.537 1.00 0.00 H new ATOM 0 HA3 GLY A -1 53.109 9.758 30.905 1.00 0.00 H new ATOM 222 N ARG A 0 51.595 8.332 28.807 1.00 0.00 N ATOM 223 CA ARG A 0 51.284 7.100 28.087 1.00 0.00 C ATOM 224 C ARG A 0 51.115 7.410 26.617 1.00 0.00 C ATOM 225 O ARG A 0 51.662 6.726 25.754 1.00 0.00 O ATOM 226 CB ARG A 0 50.003 6.471 28.639 1.00 0.00 C ATOM 227 CG ARG A 0 49.858 6.614 30.144 1.00 0.00 C ATOM 228 CD ARG A 0 51.035 5.997 30.891 1.00 0.00 C ATOM 229 NE ARG A 0 51.006 6.335 32.314 1.00 0.00 N ATOM 230 CZ ARG A 0 52.082 6.634 33.046 1.00 0.00 C ATOM 231 NH1 ARG A 0 53.299 6.593 32.509 1.00 0.00 N ATOM 232 NH2 ARG A 0 51.942 6.968 34.318 1.00 0.00 N ATOM 0 H ARG A 0 50.778 8.880 29.076 1.00 0.00 H new ATOM 0 HA ARG A 0 52.102 6.392 28.219 1.00 0.00 H new ATOM 0 HB2 ARG A 0 49.143 6.932 28.154 1.00 0.00 H new ATOM 0 HB3 ARG A 0 49.986 5.413 28.379 1.00 0.00 H new ATOM 0 HG2 ARG A 0 49.778 7.670 30.402 1.00 0.00 H new ATOM 0 HG3 ARG A 0 48.933 6.136 30.466 1.00 0.00 H new ATOM 0 HD2 ARG A 0 51.014 4.914 30.773 1.00 0.00 H new ATOM 0 HD3 ARG A 0 51.969 6.347 30.452 1.00 0.00 H new ATOM 0 HE ARG A 0 50.099 6.343 32.780 1.00 0.00 H new ATOM 0 HH11 ARG A 0 53.416 6.331 31.530 1.00 0.00 H new ATOM 0 HH12 ARG A 0 54.115 6.823 33.076 1.00 0.00 H new ATOM 0 HH21 ARG A 0 51.013 6.997 34.738 1.00 0.00 H new ATOM 0 HH22 ARG A 0 52.763 7.197 34.879 1.00 0.00 H new ATOM 246 N MET A 1 50.347 8.443 26.347 1.00 0.00 N ATOM 247 CA MET A 1 50.143 8.928 25.005 1.00 0.00 C ATOM 248 C MET A 1 50.398 10.424 24.987 1.00 0.00 C ATOM 249 O MET A 1 49.771 11.179 25.728 1.00 0.00 O ATOM 250 CB MET A 1 48.729 8.589 24.489 1.00 0.00 C ATOM 251 CG MET A 1 47.601 9.058 25.389 1.00 0.00 C ATOM 252 SD MET A 1 45.964 8.620 24.762 1.00 0.00 S ATOM 253 CE MET A 1 46.055 6.828 24.769 1.00 0.00 C ATOM 0 H MET A 1 49.844 8.972 27.060 1.00 0.00 H new ATOM 0 HA MET A 1 50.842 8.433 24.331 1.00 0.00 H new ATOM 0 HB2 MET A 1 48.599 9.035 23.503 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.651 7.509 24.363 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.731 8.625 26.381 1.00 0.00 H new ATOM 0 HG3 MET A 1 47.662 10.140 25.504 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.074 6.415 25.006 1.00 0.00 H new ATOM 0 HE2 MET A 1 46.370 6.476 23.787 1.00 0.00 H new ATOM 0 HE3 MET A 1 46.776 6.503 25.519 1.00 0.00 H new ATOM 263 N ASP A 2 51.334 10.843 24.170 1.00 0.00 N ATOM 264 CA ASP A 2 51.743 12.236 24.139 1.00 0.00 C ATOM 265 C ASP A 2 52.094 12.656 22.719 1.00 0.00 C ATOM 266 O ASP A 2 52.323 11.807 21.857 1.00 0.00 O ATOM 267 CB ASP A 2 52.947 12.418 25.076 1.00 0.00 C ATOM 268 CG ASP A 2 53.499 13.822 25.094 1.00 0.00 C ATOM 269 OD1 ASP A 2 52.716 14.771 25.248 1.00 0.00 O ATOM 270 OD2 ASP A 2 54.734 13.977 24.962 1.00 0.00 O ATOM 0 H ASP A 2 51.831 10.241 23.514 1.00 0.00 H new ATOM 0 HA ASP A 2 50.922 12.869 24.477 1.00 0.00 H new ATOM 0 HB2 ASP A 2 52.653 12.140 26.088 1.00 0.00 H new ATOM 0 HB3 ASP A 2 53.737 11.731 24.774 1.00 0.00 H new ATOM 275 N VAL A 3 52.127 13.963 22.472 1.00 0.00 N ATOM 276 CA VAL A 3 52.456 14.482 21.151 1.00 0.00 C ATOM 277 C VAL A 3 53.838 13.999 20.714 1.00 0.00 C ATOM 278 O VAL A 3 54.779 13.965 21.507 1.00 0.00 O ATOM 279 CB VAL A 3 52.390 16.031 21.095 1.00 0.00 C ATOM 280 CG1 VAL A 3 50.965 16.511 21.323 1.00 0.00 C ATOM 281 CG2 VAL A 3 53.331 16.657 22.114 1.00 0.00 C ATOM 0 H VAL A 3 51.930 14.680 23.170 1.00 0.00 H new ATOM 0 HA VAL A 3 51.705 14.097 20.461 1.00 0.00 H new ATOM 0 HB VAL A 3 52.710 16.346 20.102 1.00 0.00 H new ATOM 0 HG11 VAL A 3 50.937 17.600 21.281 1.00 0.00 H new ATOM 0 HG12 VAL A 3 50.315 16.101 20.550 1.00 0.00 H new ATOM 0 HG13 VAL A 3 50.621 16.177 22.302 1.00 0.00 H new ATOM 0 HG21 VAL A 3 53.264 17.743 22.052 1.00 0.00 H new ATOM 0 HG22 VAL A 3 53.050 16.333 23.116 1.00 0.00 H new ATOM 0 HG23 VAL A 3 54.354 16.344 21.905 1.00 0.00 H new ATOM 291 N GLY A 4 53.943 13.594 19.471 1.00 0.00 N ATOM 292 CA GLY A 4 55.195 13.069 18.975 1.00 0.00 C ATOM 293 C GLY A 4 55.177 11.557 18.928 1.00 0.00 C ATOM 294 O GLY A 4 55.894 10.940 18.137 1.00 0.00 O ATOM 0 H GLY A 4 53.185 13.617 18.789 1.00 0.00 H new ATOM 0 HA2 GLY A 4 55.388 13.464 17.977 1.00 0.00 H new ATOM 0 HA3 GLY A 4 56.011 13.405 19.614 1.00 0.00 H new ATOM 298 N GLN A 5 54.346 10.961 19.775 1.00 0.00 N ATOM 299 CA GLN A 5 54.193 9.518 19.816 1.00 0.00 C ATOM 300 C GLN A 5 53.341 9.043 18.664 1.00 0.00 C ATOM 301 O GLN A 5 52.557 9.809 18.102 1.00 0.00 O ATOM 302 CB GLN A 5 53.562 9.074 21.135 1.00 0.00 C ATOM 303 CG GLN A 5 54.563 8.806 22.237 1.00 0.00 C ATOM 304 CD GLN A 5 55.482 7.650 21.901 1.00 0.00 C ATOM 305 OE1 GLN A 5 55.108 6.733 21.170 1.00 0.00 O ATOM 306 NE2 GLN A 5 56.679 7.679 22.423 1.00 0.00 N ATOM 0 H GLN A 5 53.765 11.463 20.446 1.00 0.00 H new ATOM 0 HA GLN A 5 55.186 9.075 19.734 1.00 0.00 H new ATOM 0 HB2 GLN A 5 52.866 9.843 21.470 1.00 0.00 H new ATOM 0 HB3 GLN A 5 52.979 8.170 20.961 1.00 0.00 H new ATOM 0 HG2 GLN A 5 55.158 9.703 22.412 1.00 0.00 H new ATOM 0 HG3 GLN A 5 54.032 8.589 23.164 1.00 0.00 H new ATOM 0 HE21 GLN A 5 56.954 8.455 23.025 1.00 0.00 H new ATOM 0 HE22 GLN A 5 57.338 6.925 22.229 1.00 0.00 H new ATOM 315 N LYS A 6 53.493 7.792 18.312 1.00 0.00 N ATOM 316 CA LYS A 6 52.726 7.217 17.242 1.00 0.00 C ATOM 317 C LYS A 6 51.613 6.368 17.794 1.00 0.00 C ATOM 318 O LYS A 6 51.788 5.662 18.784 1.00 0.00 O ATOM 319 CB LYS A 6 53.611 6.383 16.331 1.00 0.00 C ATOM 320 CG LYS A 6 54.720 7.174 15.659 1.00 0.00 C ATOM 321 CD LYS A 6 55.441 6.340 14.614 1.00 0.00 C ATOM 322 CE LYS A 6 55.805 4.966 15.152 1.00 0.00 C ATOM 323 NZ LYS A 6 56.656 5.042 16.371 1.00 0.00 N ATOM 0 H LYS A 6 54.148 7.149 18.757 1.00 0.00 H new ATOM 0 HA LYS A 6 52.296 8.031 16.658 1.00 0.00 H new ATOM 0 HB2 LYS A 6 54.055 5.575 16.912 1.00 0.00 H new ATOM 0 HB3 LYS A 6 52.991 5.920 15.563 1.00 0.00 H new ATOM 0 HG2 LYS A 6 54.301 8.065 15.190 1.00 0.00 H new ATOM 0 HG3 LYS A 6 55.433 7.514 16.410 1.00 0.00 H new ATOM 0 HD2 LYS A 6 54.808 6.231 13.734 1.00 0.00 H new ATOM 0 HD3 LYS A 6 56.345 6.858 14.294 1.00 0.00 H new ATOM 0 HE2 LYS A 6 54.893 4.416 15.383 1.00 0.00 H new ATOM 0 HE3 LYS A 6 56.330 4.404 14.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 57.410 4.328 16.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 57.081 5.989 16.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 56.073 4.863 17.213 1.00 0.00 H new ATOM 337 N VAL A 7 50.470 6.442 17.163 1.00 0.00 N ATOM 338 CA VAL A 7 49.321 5.678 17.576 1.00 0.00 C ATOM 339 C VAL A 7 48.636 5.045 16.381 1.00 0.00 C ATOM 340 O VAL A 7 48.521 5.656 15.314 1.00 0.00 O ATOM 341 CB VAL A 7 48.305 6.526 18.377 1.00 0.00 C ATOM 342 CG1 VAL A 7 48.800 6.773 19.791 1.00 0.00 C ATOM 343 CG2 VAL A 7 48.039 7.843 17.677 1.00 0.00 C ATOM 0 H VAL A 7 50.309 7.034 16.348 1.00 0.00 H new ATOM 0 HA VAL A 7 49.690 4.894 18.237 1.00 0.00 H new ATOM 0 HB VAL A 7 47.371 5.966 18.433 1.00 0.00 H new ATOM 0 HG11 VAL A 7 48.068 7.371 20.333 1.00 0.00 H new ATOM 0 HG12 VAL A 7 48.938 5.819 20.300 1.00 0.00 H new ATOM 0 HG13 VAL A 7 49.750 7.306 19.756 1.00 0.00 H new ATOM 0 HG21 VAL A 7 47.322 8.425 18.256 1.00 0.00 H new ATOM 0 HG22 VAL A 7 48.971 8.402 17.587 1.00 0.00 H new ATOM 0 HG23 VAL A 7 47.633 7.652 16.684 1.00 0.00 H new ATOM 353 N ARG A 8 48.207 3.817 16.554 1.00 0.00 N ATOM 354 CA ARG A 8 47.547 3.082 15.498 1.00 0.00 C ATOM 355 C ARG A 8 46.088 2.839 15.851 1.00 0.00 C ATOM 356 O ARG A 8 45.772 2.468 16.980 1.00 0.00 O ATOM 357 CB ARG A 8 48.263 1.749 15.260 1.00 0.00 C ATOM 358 CG ARG A 8 47.670 0.924 14.135 1.00 0.00 C ATOM 359 CD ARG A 8 48.465 -0.347 13.898 1.00 0.00 C ATOM 360 NE ARG A 8 48.443 -1.241 15.065 1.00 0.00 N ATOM 361 CZ ARG A 8 48.088 -2.531 15.031 1.00 0.00 C ATOM 362 NH1 ARG A 8 47.711 -3.101 13.893 1.00 0.00 N ATOM 363 NH2 ARG A 8 48.119 -3.247 16.144 1.00 0.00 N ATOM 0 H ARG A 8 48.305 3.299 17.428 1.00 0.00 H new ATOM 0 HA ARG A 8 47.587 3.673 14.583 1.00 0.00 H new ATOM 0 HB2 ARG A 8 49.312 1.946 15.039 1.00 0.00 H new ATOM 0 HB3 ARG A 8 48.236 1.164 16.179 1.00 0.00 H new ATOM 0 HG2 ARG A 8 46.638 0.669 14.374 1.00 0.00 H new ATOM 0 HG3 ARG A 8 47.648 1.517 13.220 1.00 0.00 H new ATOM 0 HD2 ARG A 8 48.059 -0.871 13.033 1.00 0.00 H new ATOM 0 HD3 ARG A 8 49.497 -0.089 13.659 1.00 0.00 H new ATOM 0 HE ARG A 8 48.718 -0.850 15.966 1.00 0.00 H new ATOM 0 HH11 ARG A 8 47.690 -2.555 13.032 1.00 0.00 H new ATOM 0 HH12 ARG A 8 47.443 -4.085 13.880 1.00 0.00 H new ATOM 0 HH21 ARG A 8 48.412 -2.815 17.020 1.00 0.00 H new ATOM 0 HH22 ARG A 8 47.850 -4.231 16.125 1.00 0.00 H new ATOM 377 N VAL A 9 45.205 3.062 14.891 1.00 0.00 N ATOM 378 CA VAL A 9 43.780 2.852 15.102 1.00 0.00 C ATOM 379 C VAL A 9 43.469 1.370 14.970 1.00 0.00 C ATOM 380 O VAL A 9 43.724 0.768 13.921 1.00 0.00 O ATOM 381 CB VAL A 9 42.931 3.643 14.085 1.00 0.00 C ATOM 382 CG1 VAL A 9 41.490 3.757 14.560 1.00 0.00 C ATOM 383 CG2 VAL A 9 43.528 5.018 13.832 1.00 0.00 C ATOM 0 H VAL A 9 45.450 3.389 13.956 1.00 0.00 H new ATOM 0 HA VAL A 9 43.529 3.209 16.101 1.00 0.00 H new ATOM 0 HB VAL A 9 42.936 3.096 13.142 1.00 0.00 H new ATOM 0 HG11 VAL A 9 40.909 4.318 13.828 1.00 0.00 H new ATOM 0 HG12 VAL A 9 41.064 2.760 14.674 1.00 0.00 H new ATOM 0 HG13 VAL A 9 41.463 4.275 15.519 1.00 0.00 H new ATOM 0 HG21 VAL A 9 42.911 5.556 13.112 1.00 0.00 H new ATOM 0 HG22 VAL A 9 43.564 5.577 14.767 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.537 4.909 13.435 1.00 0.00 H new ATOM 393 N CYS A 10 42.933 0.780 16.027 1.00 0.00 N ATOM 394 CA CYS A 10 42.674 -0.654 16.030 1.00 0.00 C ATOM 395 C CYS A 10 41.231 -1.004 16.373 1.00 0.00 C ATOM 396 O CYS A 10 40.739 -2.053 15.964 1.00 0.00 O ATOM 397 CB CYS A 10 43.609 -1.347 17.013 1.00 0.00 C ATOM 398 SG CYS A 10 45.357 -1.172 16.617 1.00 0.00 S ATOM 0 H CYS A 10 42.671 1.264 16.886 1.00 0.00 H new ATOM 0 HA CYS A 10 42.856 -1.004 15.014 1.00 0.00 H new ATOM 0 HB2 CYS A 10 43.432 -0.945 18.011 1.00 0.00 H new ATOM 0 HB3 CYS A 10 43.360 -2.408 17.048 1.00 0.00 H new ATOM 0 HG CYS A 10 45.554 -1.488 15.371 1.00 0.00 H new ATOM 404 N ARG A 11 40.554 -0.147 17.116 1.00 0.00 N ATOM 405 CA ARG A 11 39.205 -0.467 17.555 1.00 0.00 C ATOM 406 C ARG A 11 38.336 0.781 17.623 1.00 0.00 C ATOM 407 O ARG A 11 38.699 1.760 18.260 1.00 0.00 O ATOM 408 CB ARG A 11 39.270 -1.159 18.925 1.00 0.00 C ATOM 409 CG ARG A 11 39.871 -0.289 20.022 1.00 0.00 C ATOM 410 CD ARG A 11 40.329 -1.104 21.216 1.00 0.00 C ATOM 411 NE ARG A 11 41.564 -1.831 20.929 1.00 0.00 N ATOM 412 CZ ARG A 11 42.691 -1.714 21.639 1.00 0.00 C ATOM 413 NH1 ARG A 11 42.741 -0.902 22.698 1.00 0.00 N ATOM 414 NH2 ARG A 11 43.769 -2.402 21.289 1.00 0.00 N ATOM 0 H ARG A 11 40.906 0.759 17.424 1.00 0.00 H new ATOM 0 HA ARG A 11 38.749 -1.141 16.830 1.00 0.00 H new ATOM 0 HB2 ARG A 11 38.264 -1.457 19.220 1.00 0.00 H new ATOM 0 HB3 ARG A 11 39.859 -2.072 18.834 1.00 0.00 H new ATOM 0 HG2 ARG A 11 40.717 0.268 19.619 1.00 0.00 H new ATOM 0 HG3 ARG A 11 39.133 0.444 20.347 1.00 0.00 H new ATOM 0 HD2 ARG A 11 40.484 -0.444 22.070 1.00 0.00 H new ATOM 0 HD3 ARG A 11 39.547 -1.810 21.497 1.00 0.00 H new ATOM 0 HE ARG A 11 41.566 -2.470 20.134 1.00 0.00 H new ATOM 0 HH11 ARG A 11 41.916 -0.367 22.969 1.00 0.00 H new ATOM 0 HH12 ARG A 11 43.604 -0.817 23.235 1.00 0.00 H new ATOM 0 HH21 ARG A 11 43.738 -3.020 20.478 1.00 0.00 H new ATOM 0 HH22 ARG A 11 44.629 -2.313 21.830 1.00 0.00 H new ATOM 428 N ILE A 12 37.188 0.734 16.975 1.00 0.00 N ATOM 429 CA ILE A 12 36.270 1.866 16.954 1.00 0.00 C ATOM 430 C ILE A 12 35.001 1.543 17.729 1.00 0.00 C ATOM 431 O ILE A 12 34.541 0.392 17.739 1.00 0.00 O ATOM 432 CB ILE A 12 35.882 2.256 15.499 1.00 0.00 C ATOM 433 CG1 ILE A 12 37.137 2.465 14.657 1.00 0.00 C ATOM 434 CG2 ILE A 12 35.012 3.520 15.484 1.00 0.00 C ATOM 435 CD1 ILE A 12 36.856 2.747 13.197 1.00 0.00 C ATOM 0 H ILE A 12 36.864 -0.079 16.452 1.00 0.00 H new ATOM 0 HA ILE A 12 36.785 2.705 17.422 1.00 0.00 H new ATOM 0 HB ILE A 12 35.301 1.440 15.069 1.00 0.00 H new ATOM 0 HG12 ILE A 12 37.708 3.295 15.074 1.00 0.00 H new ATOM 0 HG13 ILE A 12 37.764 1.577 14.731 1.00 0.00 H new ATOM 0 HG21 ILE A 12 34.754 3.772 14.455 1.00 0.00 H new ATOM 0 HG22 ILE A 12 34.100 3.341 16.053 1.00 0.00 H new ATOM 0 HG23 ILE A 12 35.563 4.346 15.933 1.00 0.00 H new ATOM 0 HD11 ILE A 12 37.798 2.884 12.665 1.00 0.00 H new ATOM 0 HD12 ILE A 12 36.312 1.908 12.762 1.00 0.00 H new ATOM 0 HD13 ILE A 12 36.255 3.652 13.110 1.00 0.00 H new ATOM 447 N ARG A 13 34.451 2.547 18.397 1.00 0.00 N ATOM 448 CA ARG A 13 33.181 2.401 19.106 1.00 0.00 C ATOM 449 C ARG A 13 32.033 2.318 18.096 1.00 0.00 C ATOM 450 O ARG A 13 32.258 2.105 16.901 1.00 0.00 O ATOM 451 CB ARG A 13 32.936 3.595 20.045 1.00 0.00 C ATOM 452 CG ARG A 13 33.593 3.494 21.417 1.00 0.00 C ATOM 453 CD ARG A 13 34.860 4.330 21.518 1.00 0.00 C ATOM 454 NE ARG A 13 36.001 3.692 20.877 1.00 0.00 N ATOM 455 CZ ARG A 13 36.905 2.960 21.523 1.00 0.00 C ATOM 456 NH1 ARG A 13 36.806 2.775 22.840 1.00 0.00 N ATOM 457 NH2 ARG A 13 37.907 2.415 20.860 1.00 0.00 N ATOM 0 H ARG A 13 34.864 3.477 18.465 1.00 0.00 H new ATOM 0 HA ARG A 13 33.226 1.488 19.700 1.00 0.00 H new ATOM 0 HB2 ARG A 13 33.295 4.500 19.555 1.00 0.00 H new ATOM 0 HB3 ARG A 13 31.861 3.712 20.183 1.00 0.00 H new ATOM 0 HG2 ARG A 13 32.885 3.818 22.180 1.00 0.00 H new ATOM 0 HG3 ARG A 13 33.832 2.451 21.626 1.00 0.00 H new ATOM 0 HD2 ARG A 13 34.687 5.303 21.059 1.00 0.00 H new ATOM 0 HD3 ARG A 13 35.091 4.509 22.568 1.00 0.00 H new ATOM 0 HE ARG A 13 36.114 3.814 19.871 1.00 0.00 H new ATOM 0 HH11 ARG A 13 36.034 3.196 23.357 1.00 0.00 H new ATOM 0 HH12 ARG A 13 37.502 2.213 23.330 1.00 0.00 H new ATOM 0 HH21 ARG A 13 37.988 2.555 19.853 1.00 0.00 H new ATOM 0 HH22 ARG A 13 38.600 1.854 21.355 1.00 0.00 H new ATOM 471 N ASP A 14 30.805 2.464 18.568 1.00 0.00 N ATOM 472 CA ASP A 14 29.664 2.497 17.665 1.00 0.00 C ATOM 473 C ASP A 14 29.757 3.749 16.801 1.00 0.00 C ATOM 474 O ASP A 14 30.333 4.752 17.239 1.00 0.00 O ATOM 475 CB ASP A 14 28.343 2.467 18.440 1.00 0.00 C ATOM 476 CG ASP A 14 27.135 2.415 17.526 1.00 0.00 C ATOM 477 OD1 ASP A 14 27.066 1.496 16.675 1.00 0.00 O ATOM 478 OD2 ASP A 14 26.246 3.280 17.656 1.00 0.00 O ATOM 0 H ASP A 14 30.574 2.560 19.557 1.00 0.00 H new ATOM 0 HA ASP A 14 29.684 1.612 17.029 1.00 0.00 H new ATOM 0 HB2 ASP A 14 28.333 1.600 19.100 1.00 0.00 H new ATOM 0 HB3 ASP A 14 28.277 3.351 19.074 1.00 0.00 H new ATOM 483 N ARG A 15 29.192 3.683 15.587 1.00 0.00 N ATOM 484 CA ARG A 15 29.286 4.760 14.586 1.00 0.00 C ATOM 485 C ARG A 15 30.628 4.687 13.868 1.00 0.00 C ATOM 486 O ARG A 15 31.590 5.360 14.239 1.00 0.00 O ATOM 487 CB ARG A 15 29.080 6.166 15.198 1.00 0.00 C ATOM 488 CG ARG A 15 29.318 7.308 14.217 1.00 0.00 C ATOM 489 CD ARG A 15 29.567 8.623 14.942 1.00 0.00 C ATOM 490 NE ARG A 15 29.796 9.732 14.008 1.00 0.00 N ATOM 491 CZ ARG A 15 30.372 10.899 14.334 1.00 0.00 C ATOM 492 NH1 ARG A 15 30.761 11.136 15.584 1.00 0.00 N ATOM 493 NH2 ARG A 15 30.551 11.827 13.407 1.00 0.00 N ATOM 0 H ARG A 15 28.654 2.877 15.268 1.00 0.00 H new ATOM 0 HA ARG A 15 28.477 4.606 13.872 1.00 0.00 H new ATOM 0 HB2 ARG A 15 28.063 6.238 15.584 1.00 0.00 H new ATOM 0 HB3 ARG A 15 29.753 6.284 16.048 1.00 0.00 H new ATOM 0 HG2 ARG A 15 30.173 7.073 13.584 1.00 0.00 H new ATOM 0 HG3 ARG A 15 28.454 7.411 13.560 1.00 0.00 H new ATOM 0 HD2 ARG A 15 28.712 8.855 15.577 1.00 0.00 H new ATOM 0 HD3 ARG A 15 30.431 8.517 15.598 1.00 0.00 H new ATOM 0 HE ARG A 15 29.496 9.606 13.041 1.00 0.00 H new ATOM 0 HH11 ARG A 15 30.622 10.427 16.304 1.00 0.00 H new ATOM 0 HH12 ARG A 15 31.198 12.026 15.822 1.00 0.00 H new ATOM 0 HH21 ARG A 15 30.251 11.654 12.448 1.00 0.00 H new ATOM 0 HH22 ARG A 15 30.989 12.715 13.652 1.00 0.00 H new ATOM 507 N VAL A 16 30.699 3.845 12.861 1.00 0.00 N ATOM 508 CA VAL A 16 31.919 3.692 12.106 1.00 0.00 C ATOM 509 C VAL A 16 31.791 4.371 10.752 1.00 0.00 C ATOM 510 O VAL A 16 30.979 3.970 9.918 1.00 0.00 O ATOM 511 CB VAL A 16 32.272 2.200 11.900 1.00 0.00 C ATOM 512 CG1 VAL A 16 33.567 2.056 11.120 1.00 0.00 C ATOM 513 CG2 VAL A 16 32.376 1.486 13.238 1.00 0.00 C ATOM 0 H VAL A 16 29.927 3.257 12.548 1.00 0.00 H new ATOM 0 HA VAL A 16 32.720 4.162 12.677 1.00 0.00 H new ATOM 0 HB VAL A 16 31.471 1.738 11.323 1.00 0.00 H new ATOM 0 HG11 VAL A 16 33.796 0.999 10.987 1.00 0.00 H new ATOM 0 HG12 VAL A 16 33.459 2.529 10.144 1.00 0.00 H new ATOM 0 HG13 VAL A 16 34.377 2.536 11.668 1.00 0.00 H new ATOM 0 HG21 VAL A 16 32.625 0.438 13.073 1.00 0.00 H new ATOM 0 HG22 VAL A 16 33.155 1.953 13.840 1.00 0.00 H new ATOM 0 HG23 VAL A 16 31.423 1.554 13.762 1.00 0.00 H new ATOM 523 N ALA A 17 32.579 5.406 10.549 1.00 0.00 N ATOM 524 CA ALA A 17 32.592 6.125 9.291 1.00 0.00 C ATOM 525 C ALA A 17 33.535 5.449 8.311 1.00 0.00 C ATOM 526 O ALA A 17 34.500 4.797 8.723 1.00 0.00 O ATOM 527 CB ALA A 17 32.998 7.578 9.511 1.00 0.00 C ATOM 0 H ALA A 17 33.226 5.772 11.247 1.00 0.00 H new ATOM 0 HA ALA A 17 31.586 6.112 8.871 1.00 0.00 H new ATOM 0 HB1 ALA A 17 33.003 8.103 8.556 1.00 0.00 H new ATOM 0 HB2 ALA A 17 32.287 8.056 10.185 1.00 0.00 H new ATOM 0 HB3 ALA A 17 33.995 7.615 9.950 1.00 0.00 H new ATOM 533 N GLN A 18 33.274 5.622 7.024 1.00 0.00 N ATOM 534 CA GLN A 18 34.102 5.015 5.978 1.00 0.00 C ATOM 535 C GLN A 18 35.516 5.581 6.012 1.00 0.00 C ATOM 536 O GLN A 18 36.463 4.957 5.537 1.00 0.00 O ATOM 537 CB GLN A 18 33.484 5.239 4.589 1.00 0.00 C ATOM 538 CG GLN A 18 32.250 4.387 4.287 1.00 0.00 C ATOM 539 CD GLN A 18 31.102 4.625 5.248 1.00 0.00 C ATOM 540 OE1 GLN A 18 30.969 3.935 6.260 1.00 0.00 O ATOM 541 NE2 GLN A 18 30.280 5.607 4.952 1.00 0.00 N ATOM 0 H GLN A 18 32.495 6.178 6.672 1.00 0.00 H new ATOM 0 HA GLN A 18 34.147 3.943 6.171 1.00 0.00 H new ATOM 0 HB2 GLN A 18 33.214 6.291 4.493 1.00 0.00 H new ATOM 0 HB3 GLN A 18 34.242 5.035 3.833 1.00 0.00 H new ATOM 0 HG2 GLN A 18 31.913 4.596 3.272 1.00 0.00 H new ATOM 0 HG3 GLN A 18 32.528 3.334 4.320 1.00 0.00 H new ATOM 0 HE21 GLN A 18 30.425 6.155 4.104 1.00 0.00 H new ATOM 0 HE22 GLN A 18 29.497 5.821 5.570 1.00 0.00 H new ATOM 550 N ASP A 19 35.647 6.763 6.577 1.00 0.00 N ATOM 551 CA ASP A 19 36.938 7.418 6.691 1.00 0.00 C ATOM 552 C ASP A 19 37.775 6.783 7.786 1.00 0.00 C ATOM 553 O ASP A 19 38.911 6.380 7.558 1.00 0.00 O ATOM 554 CB ASP A 19 36.761 8.908 6.985 1.00 0.00 C ATOM 555 CG ASP A 19 36.109 9.661 5.851 1.00 0.00 C ATOM 556 OD1 ASP A 19 34.861 9.656 5.766 1.00 0.00 O ATOM 557 OD2 ASP A 19 36.837 10.272 5.041 1.00 0.00 O ATOM 0 H ASP A 19 34.870 7.295 6.968 1.00 0.00 H new ATOM 0 HA ASP A 19 37.455 7.298 5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 19 36.158 9.026 7.886 1.00 0.00 H new ATOM 0 HB3 ASP A 19 37.735 9.349 7.194 1.00 0.00 H new ATOM 562 N ILE A 20 37.194 6.670 8.975 1.00 0.00 N ATOM 563 CA ILE A 20 37.915 6.146 10.127 1.00 0.00 C ATOM 564 C ILE A 20 38.145 4.639 10.037 1.00 0.00 C ATOM 565 O ILE A 20 39.136 4.132 10.552 1.00 0.00 O ATOM 566 CB ILE A 20 37.221 6.500 11.468 1.00 0.00 C ATOM 567 CG1 ILE A 20 35.805 5.918 11.528 1.00 0.00 C ATOM 568 CG2 ILE A 20 37.190 8.011 11.663 1.00 0.00 C ATOM 569 CD1 ILE A 20 35.081 6.209 12.828 1.00 0.00 C ATOM 0 H ILE A 20 36.227 6.934 9.165 1.00 0.00 H new ATOM 0 HA ILE A 20 38.888 6.636 10.109 1.00 0.00 H new ATOM 0 HB ILE A 20 37.798 6.055 12.278 1.00 0.00 H new ATOM 0 HG12 ILE A 20 35.221 6.319 10.700 1.00 0.00 H new ATOM 0 HG13 ILE A 20 35.859 4.839 11.386 1.00 0.00 H new ATOM 0 HG21 ILE A 20 36.700 8.246 12.608 1.00 0.00 H new ATOM 0 HG22 ILE A 20 38.209 8.397 11.677 1.00 0.00 H new ATOM 0 HG23 ILE A 20 36.638 8.472 10.844 1.00 0.00 H new ATOM 0 HD11 ILE A 20 34.086 5.766 12.797 1.00 0.00 H new ATOM 0 HD12 ILE A 20 35.642 5.783 13.660 1.00 0.00 H new ATOM 0 HD13 ILE A 20 34.994 7.287 12.963 1.00 0.00 H new ATOM 581 N ILE A 21 37.247 3.923 9.362 1.00 0.00 N ATOM 582 CA ILE A 21 37.398 2.476 9.219 1.00 0.00 C ATOM 583 C ILE A 21 38.585 2.147 8.307 1.00 0.00 C ATOM 584 O ILE A 21 39.205 1.092 8.427 1.00 0.00 O ATOM 585 CB ILE A 21 36.101 1.802 8.682 1.00 0.00 C ATOM 586 CG1 ILE A 21 36.192 0.276 8.811 1.00 0.00 C ATOM 587 CG2 ILE A 21 35.842 2.198 7.236 1.00 0.00 C ATOM 588 CD1 ILE A 21 34.922 -0.451 8.413 1.00 0.00 C ATOM 0 H ILE A 21 36.419 4.314 8.912 1.00 0.00 H new ATOM 0 HA ILE A 21 37.589 2.072 10.213 1.00 0.00 H new ATOM 0 HB ILE A 21 35.264 2.152 9.286 1.00 0.00 H new ATOM 0 HG12 ILE A 21 37.014 -0.083 8.191 1.00 0.00 H new ATOM 0 HG13 ILE A 21 36.436 0.022 9.843 1.00 0.00 H new ATOM 0 HG21 ILE A 21 34.931 1.714 6.884 1.00 0.00 H new ATOM 0 HG22 ILE A 21 35.727 3.280 7.170 1.00 0.00 H new ATOM 0 HG23 ILE A 21 36.682 1.884 6.617 1.00 0.00 H new ATOM 0 HD11 ILE A 21 35.065 -1.525 8.531 1.00 0.00 H new ATOM 0 HD12 ILE A 21 34.100 -0.122 9.049 1.00 0.00 H new ATOM 0 HD13 ILE A 21 34.687 -0.229 7.372 1.00 0.00 H new ATOM 600 N GLN A 22 38.914 3.075 7.414 1.00 0.00 N ATOM 601 CA GLN A 22 40.038 2.898 6.506 1.00 0.00 C ATOM 602 C GLN A 22 41.345 3.119 7.256 1.00 0.00 C ATOM 603 O GLN A 22 42.399 2.622 6.867 1.00 0.00 O ATOM 604 CB GLN A 22 39.945 3.888 5.346 1.00 0.00 C ATOM 605 CG GLN A 22 40.869 3.558 4.182 1.00 0.00 C ATOM 606 CD GLN A 22 40.919 4.655 3.139 1.00 0.00 C ATOM 607 OE1 GLN A 22 39.952 5.401 2.953 1.00 0.00 O ATOM 608 NE2 GLN A 22 42.035 4.756 2.444 1.00 0.00 N ATOM 0 H GLN A 22 38.416 3.958 7.301 1.00 0.00 H new ATOM 0 HA GLN A 22 40.010 1.883 6.110 1.00 0.00 H new ATOM 0 HB2 GLN A 22 38.917 3.915 4.985 1.00 0.00 H new ATOM 0 HB3 GLN A 22 40.181 4.887 5.713 1.00 0.00 H new ATOM 0 HG2 GLN A 22 41.875 3.379 4.563 1.00 0.00 H new ATOM 0 HG3 GLN A 22 40.537 2.632 3.712 1.00 0.00 H new ATOM 0 HE21 GLN A 22 42.810 4.120 2.629 1.00 0.00 H new ATOM 0 HE22 GLN A 22 42.123 5.470 1.721 1.00 0.00 H new ATOM 617 N LYS A 23 41.254 3.858 8.348 1.00 0.00 N ATOM 618 CA LYS A 23 42.411 4.196 9.154 1.00 0.00 C ATOM 619 C LYS A 23 42.800 3.034 10.060 1.00 0.00 C ATOM 620 O LYS A 23 43.873 3.038 10.660 1.00 0.00 O ATOM 621 CB LYS A 23 42.117 5.444 9.987 1.00 0.00 C ATOM 622 CG LYS A 23 41.588 6.625 9.169 1.00 0.00 C ATOM 623 CD LYS A 23 42.694 7.577 8.711 1.00 0.00 C ATOM 624 CE LYS A 23 43.678 6.914 7.759 1.00 0.00 C ATOM 625 NZ LYS A 23 44.630 7.896 7.179 1.00 0.00 N ATOM 0 H LYS A 23 40.376 4.240 8.700 1.00 0.00 H new ATOM 0 HA LYS A 23 43.250 4.401 8.488 1.00 0.00 H new ATOM 0 HB2 LYS A 23 41.387 5.192 10.756 1.00 0.00 H new ATOM 0 HB3 LYS A 23 43.029 5.749 10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 23 41.057 6.246 8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 23 40.864 7.179 9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 23 42.245 8.441 8.220 1.00 0.00 H new ATOM 0 HD3 LYS A 23 43.232 7.949 9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 23 44.232 6.140 8.290 1.00 0.00 H new ATOM 0 HE3 LYS A 23 43.131 6.420 6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 45.252 7.416 6.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 44.100 8.648 6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 45.206 8.312 7.939 1.00 0.00 H new ATOM 639 N LEU A 24 41.922 2.043 10.160 1.00 0.00 N ATOM 640 CA LEU A 24 42.190 0.864 10.965 1.00 0.00 C ATOM 641 C LEU A 24 43.381 0.111 10.405 1.00 0.00 C ATOM 642 O LEU A 24 43.385 -0.281 9.233 1.00 0.00 O ATOM 643 CB LEU A 24 40.966 -0.054 11.016 1.00 0.00 C ATOM 644 CG LEU A 24 39.735 0.522 11.714 1.00 0.00 C ATOM 645 CD1 LEU A 24 38.572 -0.447 11.617 1.00 0.00 C ATOM 646 CD2 LEU A 24 40.043 0.833 13.168 1.00 0.00 C ATOM 0 H LEU A 24 41.016 2.036 9.691 1.00 0.00 H new ATOM 0 HA LEU A 24 42.417 1.189 11.981 1.00 0.00 H new ATOM 0 HB2 LEU A 24 40.691 -0.320 9.995 1.00 0.00 H new ATOM 0 HB3 LEU A 24 41.248 -0.978 11.521 1.00 0.00 H new ATOM 0 HG LEU A 24 39.458 1.450 11.214 1.00 0.00 H new ATOM 0 HD11 LEU A 24 37.702 -0.023 12.119 1.00 0.00 H new ATOM 0 HD12 LEU A 24 38.334 -0.626 10.568 1.00 0.00 H new ATOM 0 HD13 LEU A 24 38.843 -1.389 12.094 1.00 0.00 H new ATOM 0 HD21 LEU A 24 39.154 1.242 13.649 1.00 0.00 H new ATOM 0 HD22 LEU A 24 40.344 -0.081 13.680 1.00 0.00 H new ATOM 0 HD23 LEU A 24 40.852 1.561 13.221 1.00 0.00 H new ATOM 658 N GLY A 25 44.388 -0.072 11.229 1.00 0.00 N ATOM 659 CA GLY A 25 45.586 -0.743 10.788 1.00 0.00 C ATOM 660 C GLY A 25 46.673 0.237 10.405 1.00 0.00 C ATOM 661 O GLY A 25 47.825 -0.147 10.204 1.00 0.00 O ATOM 0 H GLY A 25 44.400 0.233 12.202 1.00 0.00 H new ATOM 0 HA2 GLY A 25 45.949 -1.396 11.581 1.00 0.00 H new ATOM 0 HA3 GLY A 25 45.353 -1.378 9.934 1.00 0.00 H new ATOM 665 N GLN A 26 46.306 1.504 10.302 1.00 0.00 N ATOM 666 CA GLN A 26 47.248 2.545 9.965 1.00 0.00 C ATOM 667 C GLN A 26 47.756 3.213 11.229 1.00 0.00 C ATOM 668 O GLN A 26 46.999 3.421 12.182 1.00 0.00 O ATOM 669 CB GLN A 26 46.597 3.591 9.064 1.00 0.00 C ATOM 670 CG GLN A 26 46.183 3.077 7.694 1.00 0.00 C ATOM 671 CD GLN A 26 45.784 4.205 6.761 1.00 0.00 C ATOM 672 OE1 GLN A 26 46.285 5.325 6.879 1.00 0.00 O ATOM 673 NE2 GLN A 26 44.883 3.929 5.840 1.00 0.00 N ATOM 0 H GLN A 26 45.352 1.833 10.450 1.00 0.00 H new ATOM 0 HA GLN A 26 48.083 2.091 9.431 1.00 0.00 H new ATOM 0 HB2 GLN A 26 45.717 3.990 9.569 1.00 0.00 H new ATOM 0 HB3 GLN A 26 47.292 4.420 8.932 1.00 0.00 H new ATOM 0 HG2 GLN A 26 47.007 2.516 7.253 1.00 0.00 H new ATOM 0 HG3 GLN A 26 45.348 2.385 7.803 1.00 0.00 H new ATOM 0 HE21 GLN A 26 44.492 2.989 5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 26 44.577 4.655 5.192 1.00 0.00 H new ATOM 682 N VAL A 27 49.030 3.536 11.244 1.00 0.00 N ATOM 683 CA VAL A 27 49.626 4.190 12.386 1.00 0.00 C ATOM 684 C VAL A 27 50.047 5.618 12.024 1.00 0.00 C ATOM 685 O VAL A 27 50.611 5.860 10.954 1.00 0.00 O ATOM 686 CB VAL A 27 50.843 3.393 12.936 1.00 0.00 C ATOM 687 CG1 VAL A 27 51.920 3.230 11.880 1.00 0.00 C ATOM 688 CG2 VAL A 27 51.411 4.059 14.180 1.00 0.00 C ATOM 0 H VAL A 27 49.675 3.355 10.475 1.00 0.00 H new ATOM 0 HA VAL A 27 48.872 4.229 13.173 1.00 0.00 H new ATOM 0 HB VAL A 27 50.488 2.399 13.209 1.00 0.00 H new ATOM 0 HG11 VAL A 27 52.756 2.669 12.297 1.00 0.00 H new ATOM 0 HG12 VAL A 27 51.512 2.692 11.024 1.00 0.00 H new ATOM 0 HG13 VAL A 27 52.266 4.212 11.559 1.00 0.00 H new ATOM 0 HG21 VAL A 27 52.261 3.483 14.545 1.00 0.00 H new ATOM 0 HG22 VAL A 27 51.737 5.070 13.935 1.00 0.00 H new ATOM 0 HG23 VAL A 27 50.643 4.102 14.952 1.00 0.00 H new ATOM 698 N GLY A 28 49.748 6.556 12.898 1.00 0.00 N ATOM 699 CA GLY A 28 50.111 7.932 12.660 1.00 0.00 C ATOM 700 C GLY A 28 50.761 8.547 13.871 1.00 0.00 C ATOM 701 O GLY A 28 50.960 7.871 14.874 1.00 0.00 O ATOM 0 H GLY A 28 49.256 6.389 13.776 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.793 7.988 11.811 1.00 0.00 H new ATOM 0 HA3 GLY A 28 49.222 8.503 12.393 1.00 0.00 H new ATOM 705 N GLN A 29 51.077 9.822 13.794 1.00 0.00 N ATOM 706 CA GLN A 29 51.738 10.505 14.892 1.00 0.00 C ATOM 707 C GLN A 29 50.785 11.480 15.582 1.00 0.00 C ATOM 708 O GLN A 29 50.021 12.186 14.922 1.00 0.00 O ATOM 709 CB GLN A 29 52.971 11.249 14.377 1.00 0.00 C ATOM 710 CG GLN A 29 53.847 11.824 15.474 1.00 0.00 C ATOM 711 CD GLN A 29 55.035 12.589 14.930 1.00 0.00 C ATOM 712 OE1 GLN A 29 54.966 13.196 13.856 1.00 0.00 O ATOM 713 NE2 GLN A 29 56.134 12.554 15.654 1.00 0.00 N ATOM 0 H GLN A 29 50.888 10.410 12.982 1.00 0.00 H new ATOM 0 HA GLN A 29 52.049 9.759 15.623 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.567 10.567 13.770 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.647 12.058 13.723 1.00 0.00 H new ATOM 0 HG2 GLN A 29 53.250 12.486 16.101 1.00 0.00 H new ATOM 0 HG3 GLN A 29 54.202 11.015 16.112 1.00 0.00 H new ATOM 0 HE21 GLN A 29 56.148 12.041 16.535 1.00 0.00 H new ATOM 0 HE22 GLN A 29 56.971 13.040 15.334 1.00 0.00 H new ATOM 722 N ILE A 30 50.828 11.504 16.908 1.00 0.00 N ATOM 723 CA ILE A 30 49.992 12.403 17.692 1.00 0.00 C ATOM 724 C ILE A 30 50.476 13.838 17.534 1.00 0.00 C ATOM 725 O ILE A 30 51.640 14.146 17.821 1.00 0.00 O ATOM 726 CB ILE A 30 50.015 12.038 19.198 1.00 0.00 C ATOM 727 CG1 ILE A 30 49.599 10.580 19.406 1.00 0.00 C ATOM 728 CG2 ILE A 30 49.103 12.973 19.989 1.00 0.00 C ATOM 729 CD1 ILE A 30 49.638 10.134 20.853 1.00 0.00 C ATOM 0 H ILE A 30 51.438 10.906 17.466 1.00 0.00 H new ATOM 0 HA ILE A 30 48.972 12.302 17.321 1.00 0.00 H new ATOM 0 HB ILE A 30 51.034 12.159 19.565 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.589 10.441 19.020 1.00 0.00 H new ATOM 0 HG13 ILE A 30 50.256 9.937 18.820 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.131 12.702 21.044 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.444 14.001 19.869 1.00 0.00 H new ATOM 0 HG23 ILE A 30 48.082 12.884 19.619 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.330 9.090 20.921 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.652 10.239 21.239 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.960 10.751 21.442 1.00 0.00 H new ATOM 741 N THR A 31 49.598 14.703 17.071 1.00 0.00 N ATOM 742 CA THR A 31 49.939 16.100 16.889 1.00 0.00 C ATOM 743 C THR A 31 49.107 17.007 17.794 1.00 0.00 C ATOM 744 O THR A 31 49.262 18.235 17.773 1.00 0.00 O ATOM 745 CB THR A 31 49.761 16.519 15.432 1.00 0.00 C ATOM 746 OG1 THR A 31 48.479 16.087 14.957 1.00 0.00 O ATOM 747 CG2 THR A 31 50.861 15.927 14.562 1.00 0.00 C ATOM 0 H THR A 31 48.641 14.463 16.813 1.00 0.00 H new ATOM 0 HA THR A 31 50.987 16.212 17.166 1.00 0.00 H new ATOM 0 HB THR A 31 49.823 17.606 15.374 1.00 0.00 H new ATOM 0 HG1 THR A 31 48.558 15.789 14.027 1.00 0.00 H new ATOM 0 HG21 THR A 31 50.714 16.239 13.528 1.00 0.00 H new ATOM 0 HG22 THR A 31 51.831 16.279 14.913 1.00 0.00 H new ATOM 0 HG23 THR A 31 50.826 14.839 14.622 1.00 0.00 H new ATOM 755 N GLY A 32 48.231 16.409 18.589 1.00 0.00 N ATOM 756 CA GLY A 32 47.412 17.187 19.489 1.00 0.00 C ATOM 757 C GLY A 32 46.337 16.361 20.154 1.00 0.00 C ATOM 758 O GLY A 32 46.198 15.167 19.873 1.00 0.00 O ATOM 0 H GLY A 32 48.075 15.402 18.625 1.00 0.00 H new ATOM 0 HA2 GLY A 32 48.045 17.637 20.254 1.00 0.00 H new ATOM 0 HA3 GLY A 32 46.948 18.005 18.938 1.00 0.00 H new ATOM 762 N PHE A 33 45.579 16.994 21.034 1.00 0.00 N ATOM 763 CA PHE A 33 44.500 16.333 21.747 1.00 0.00 C ATOM 764 C PHE A 33 43.233 17.174 21.682 1.00 0.00 C ATOM 765 O PHE A 33 43.293 18.390 21.480 1.00 0.00 O ATOM 766 CB PHE A 33 44.883 16.079 23.213 1.00 0.00 C ATOM 767 CG PHE A 33 45.962 15.045 23.401 1.00 0.00 C ATOM 768 CD1 PHE A 33 45.647 13.695 23.414 1.00 0.00 C ATOM 769 CD2 PHE A 33 47.286 15.422 23.569 1.00 0.00 C ATOM 770 CE1 PHE A 33 46.631 12.742 23.591 1.00 0.00 C ATOM 771 CE2 PHE A 33 48.275 14.472 23.746 1.00 0.00 C ATOM 772 CZ PHE A 33 47.945 13.131 23.758 1.00 0.00 C ATOM 0 H PHE A 33 45.694 17.979 21.274 1.00 0.00 H new ATOM 0 HA PHE A 33 44.318 15.372 21.267 1.00 0.00 H new ATOM 0 HB2 PHE A 33 45.214 17.018 23.658 1.00 0.00 H new ATOM 0 HB3 PHE A 33 43.994 15.763 23.759 1.00 0.00 H new ATOM 0 HD1 PHE A 33 44.621 13.385 23.284 1.00 0.00 H new ATOM 0 HD2 PHE A 33 47.548 16.470 23.561 1.00 0.00 H new ATOM 0 HE1 PHE A 33 46.373 11.693 23.599 1.00 0.00 H new ATOM 0 HE2 PHE A 33 49.303 14.778 23.875 1.00 0.00 H new ATOM 0 HZ PHE A 33 48.715 12.387 23.898 1.00 0.00 H new ATOM 782 N LYS A 34 42.099 16.524 21.845 1.00 0.00 N ATOM 783 CA LYS A 34 40.805 17.190 21.805 1.00 0.00 C ATOM 784 C LYS A 34 39.927 16.736 22.949 1.00 0.00 C ATOM 785 O LYS A 34 40.093 15.642 23.468 1.00 0.00 O ATOM 786 CB LYS A 34 40.085 16.906 20.487 1.00 0.00 C ATOM 787 CG LYS A 34 40.590 17.711 19.306 1.00 0.00 C ATOM 788 CD LYS A 34 39.773 17.428 18.049 1.00 0.00 C ATOM 789 CE LYS A 34 38.301 17.755 18.260 1.00 0.00 C ATOM 790 NZ LYS A 34 37.504 17.598 17.021 1.00 0.00 N ATOM 0 H LYS A 34 42.044 15.519 22.009 1.00 0.00 H new ATOM 0 HA LYS A 34 40.990 18.261 21.894 1.00 0.00 H new ATOM 0 HB2 LYS A 34 40.183 15.845 20.256 1.00 0.00 H new ATOM 0 HB3 LYS A 34 39.022 17.106 20.618 1.00 0.00 H new ATOM 0 HG2 LYS A 34 40.542 18.774 19.541 1.00 0.00 H new ATOM 0 HG3 LYS A 34 41.638 17.472 19.122 1.00 0.00 H new ATOM 0 HD2 LYS A 34 40.163 18.017 17.219 1.00 0.00 H new ATOM 0 HD3 LYS A 34 39.879 16.379 17.773 1.00 0.00 H new ATOM 0 HE2 LYS A 34 37.895 17.105 19.035 1.00 0.00 H new ATOM 0 HE3 LYS A 34 38.207 18.779 18.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 36.508 17.428 17.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 37.576 18.464 16.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 37.868 16.792 16.474 1.00 0.00 H new ATOM 804 N MET A 35 39.007 17.579 23.349 1.00 0.00 N ATOM 805 CA MET A 35 38.052 17.218 24.374 1.00 0.00 C ATOM 806 C MET A 35 36.769 16.717 23.714 1.00 0.00 C ATOM 807 O MET A 35 36.030 17.483 23.092 1.00 0.00 O ATOM 808 CB MET A 35 37.776 18.400 25.326 1.00 0.00 C ATOM 809 CG MET A 35 37.390 19.704 24.634 1.00 0.00 C ATOM 810 SD MET A 35 37.068 21.048 25.798 1.00 0.00 S ATOM 811 CE MET A 35 35.719 20.358 26.757 1.00 0.00 C ATOM 0 H MET A 35 38.897 18.524 22.980 1.00 0.00 H new ATOM 0 HA MET A 35 38.470 16.417 24.984 1.00 0.00 H new ATOM 0 HB2 MET A 35 36.976 18.118 26.010 1.00 0.00 H new ATOM 0 HB3 MET A 35 38.665 18.576 25.931 1.00 0.00 H new ATOM 0 HG2 MET A 35 38.190 20.001 23.956 1.00 0.00 H new ATOM 0 HG3 MET A 35 36.502 19.537 24.025 1.00 0.00 H new ATOM 0 HE1 MET A 35 35.192 21.160 27.273 1.00 0.00 H new ATOM 0 HE2 MET A 35 35.028 19.839 26.092 1.00 0.00 H new ATOM 0 HE3 MET A 35 36.116 19.655 27.489 1.00 0.00 H new ATOM 821 N THR A 36 36.527 15.428 23.822 1.00 0.00 N ATOM 822 CA THR A 36 35.377 14.811 23.187 1.00 0.00 C ATOM 823 C THR A 36 34.167 14.809 24.110 1.00 0.00 C ATOM 824 O THR A 36 34.306 14.812 25.339 1.00 0.00 O ATOM 825 CB THR A 36 35.685 13.363 22.747 1.00 0.00 C ATOM 826 OG1 THR A 36 36.129 12.595 23.871 1.00 0.00 O ATOM 827 CG2 THR A 36 36.757 13.347 21.665 1.00 0.00 C ATOM 0 H THR A 36 37.115 14.781 24.347 1.00 0.00 H new ATOM 0 HA THR A 36 35.148 15.408 22.304 1.00 0.00 H new ATOM 0 HB THR A 36 34.772 12.925 22.344 1.00 0.00 H new ATOM 0 HG1 THR A 36 36.321 11.678 23.585 1.00 0.00 H new ATOM 0 HG21 THR A 36 36.960 12.318 21.369 1.00 0.00 H new ATOM 0 HG22 THR A 36 36.409 13.912 20.800 1.00 0.00 H new ATOM 0 HG23 THR A 36 37.670 13.800 22.051 1.00 0.00 H new ATOM 835 N ASP A 37 32.989 14.797 23.518 1.00 0.00 N ATOM 836 CA ASP A 37 31.745 14.807 24.272 1.00 0.00 C ATOM 837 C ASP A 37 31.302 13.390 24.591 1.00 0.00 C ATOM 838 O ASP A 37 30.450 13.174 25.451 1.00 0.00 O ATOM 839 CB ASP A 37 30.647 15.534 23.487 1.00 0.00 C ATOM 840 CG ASP A 37 30.975 16.990 23.244 1.00 0.00 C ATOM 841 OD1 ASP A 37 31.689 17.291 22.264 1.00 0.00 O ATOM 842 OD2 ASP A 37 30.536 17.843 24.040 1.00 0.00 O ATOM 0 H ASP A 37 32.864 14.780 22.506 1.00 0.00 H new ATOM 0 HA ASP A 37 31.919 15.338 25.208 1.00 0.00 H new ATOM 0 HB2 ASP A 37 30.498 15.034 22.530 1.00 0.00 H new ATOM 0 HB3 ASP A 37 29.707 15.463 24.034 1.00 0.00 H new ATOM 847 N GLY A 38 31.884 12.430 23.886 1.00 0.00 N ATOM 848 CA GLY A 38 31.547 11.041 24.107 1.00 0.00 C ATOM 849 C GLY A 38 32.322 10.432 25.257 1.00 0.00 C ATOM 850 O GLY A 38 31.797 10.297 26.363 1.00 0.00 O ATOM 0 H GLY A 38 32.585 12.591 23.163 1.00 0.00 H new ATOM 0 HA2 GLY A 38 30.479 10.957 24.308 1.00 0.00 H new ATOM 0 HA3 GLY A 38 31.746 10.473 23.198 1.00 0.00 H new ATOM 854 N SER A 39 33.567 10.070 25.002 1.00 0.00 N ATOM 855 CA SER A 39 34.403 9.454 26.019 1.00 0.00 C ATOM 856 C SER A 39 34.990 10.504 26.963 1.00 0.00 C ATOM 857 O SER A 39 34.506 10.696 28.081 1.00 0.00 O ATOM 858 CB SER A 39 35.530 8.658 25.357 1.00 0.00 C ATOM 859 OG SER A 39 35.026 7.778 24.366 1.00 0.00 O ATOM 0 H SER A 39 34.023 10.192 24.098 1.00 0.00 H new ATOM 0 HA SER A 39 33.780 8.780 26.607 1.00 0.00 H new ATOM 0 HB2 SER A 39 36.247 9.344 24.906 1.00 0.00 H new ATOM 0 HB3 SER A 39 36.068 8.087 26.114 1.00 0.00 H new ATOM 0 HG SER A 39 35.252 8.123 23.477 1.00 0.00 H new ATOM 865 N GLY A 40 36.015 11.189 26.497 1.00 0.00 N ATOM 866 CA GLY A 40 36.670 12.190 27.299 1.00 0.00 C ATOM 867 C GLY A 40 37.675 12.954 26.487 1.00 0.00 C ATOM 868 O GLY A 40 37.407 14.072 26.047 1.00 0.00 O ATOM 0 H GLY A 40 36.409 11.067 25.564 1.00 0.00 H new ATOM 0 HA2 GLY A 40 35.929 12.877 27.707 1.00 0.00 H new ATOM 0 HA3 GLY A 40 37.166 11.716 28.146 1.00 0.00 H new ATOM 872 N VAL A 41 38.816 12.347 26.248 1.00 0.00 N ATOM 873 CA VAL A 41 39.853 12.979 25.467 1.00 0.00 C ATOM 874 C VAL A 41 40.040 12.266 24.128 1.00 0.00 C ATOM 875 O VAL A 41 39.983 11.037 24.044 1.00 0.00 O ATOM 876 CB VAL A 41 41.194 13.028 26.242 1.00 0.00 C ATOM 877 CG1 VAL A 41 42.305 13.636 25.390 1.00 0.00 C ATOM 878 CG2 VAL A 41 41.025 13.819 27.533 1.00 0.00 C ATOM 0 H VAL A 41 39.049 11.413 26.585 1.00 0.00 H new ATOM 0 HA VAL A 41 39.536 14.004 25.273 1.00 0.00 H new ATOM 0 HB VAL A 41 41.481 12.005 26.486 1.00 0.00 H new ATOM 0 HG11 VAL A 41 43.233 13.656 25.962 1.00 0.00 H new ATOM 0 HG12 VAL A 41 42.446 13.034 24.492 1.00 0.00 H new ATOM 0 HG13 VAL A 41 42.031 14.652 25.107 1.00 0.00 H new ATOM 0 HG21 VAL A 41 41.973 13.847 28.069 1.00 0.00 H new ATOM 0 HG22 VAL A 41 40.711 14.836 27.298 1.00 0.00 H new ATOM 0 HG23 VAL A 41 40.270 13.341 28.156 1.00 0.00 H new ATOM 888 N GLY A 42 40.223 13.049 23.087 1.00 0.00 N ATOM 889 CA GLY A 42 40.450 12.517 21.777 1.00 0.00 C ATOM 890 C GLY A 42 41.864 12.777 21.327 1.00 0.00 C ATOM 891 O GLY A 42 42.463 13.791 21.695 1.00 0.00 O ATOM 0 H GLY A 42 40.217 14.068 23.133 1.00 0.00 H new ATOM 0 HA2 GLY A 42 40.256 11.444 21.777 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.751 12.967 21.072 1.00 0.00 H new ATOM 895 N VAL A 43 42.395 11.879 20.539 1.00 0.00 N ATOM 896 CA VAL A 43 43.758 11.982 20.068 1.00 0.00 C ATOM 897 C VAL A 43 43.786 12.365 18.595 1.00 0.00 C ATOM 898 O VAL A 43 43.144 11.717 17.767 1.00 0.00 O ATOM 899 CB VAL A 43 44.504 10.638 20.249 1.00 0.00 C ATOM 900 CG1 VAL A 43 45.961 10.766 19.835 1.00 0.00 C ATOM 901 CG2 VAL A 43 44.396 10.151 21.688 1.00 0.00 C ATOM 0 H VAL A 43 41.897 11.054 20.204 1.00 0.00 H new ATOM 0 HA VAL A 43 44.254 12.754 20.657 1.00 0.00 H new ATOM 0 HB VAL A 43 44.031 9.900 19.601 1.00 0.00 H new ATOM 0 HG11 VAL A 43 46.464 9.808 19.972 1.00 0.00 H new ATOM 0 HG12 VAL A 43 46.017 11.059 18.787 1.00 0.00 H new ATOM 0 HG13 VAL A 43 46.449 11.523 20.450 1.00 0.00 H new ATOM 0 HG21 VAL A 43 44.927 9.205 21.793 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.837 10.891 22.356 1.00 0.00 H new ATOM 0 HG23 VAL A 43 43.347 10.008 21.946 1.00 0.00 H new ATOM 911 N ILE A 44 44.508 13.426 18.273 1.00 0.00 N ATOM 912 CA ILE A 44 44.655 13.845 16.892 1.00 0.00 C ATOM 913 C ILE A 44 45.830 13.116 16.268 1.00 0.00 C ATOM 914 O ILE A 44 46.991 13.362 16.618 1.00 0.00 O ATOM 915 CB ILE A 44 44.865 15.373 16.762 1.00 0.00 C ATOM 916 CG1 ILE A 44 43.667 16.127 17.353 1.00 0.00 C ATOM 917 CG2 ILE A 44 45.072 15.762 15.301 1.00 0.00 C ATOM 918 CD1 ILE A 44 43.774 17.632 17.226 1.00 0.00 C ATOM 0 H ILE A 44 45.000 14.011 18.949 1.00 0.00 H new ATOM 0 HA ILE A 44 43.731 13.596 16.370 1.00 0.00 H new ATOM 0 HB ILE A 44 45.759 15.649 17.321 1.00 0.00 H new ATOM 0 HG12 ILE A 44 42.757 15.793 16.855 1.00 0.00 H new ATOM 0 HG13 ILE A 44 43.568 15.866 18.407 1.00 0.00 H new ATOM 0 HG21 ILE A 44 45.218 16.840 15.229 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.951 15.250 14.909 1.00 0.00 H new ATOM 0 HG23 ILE A 44 44.195 15.475 14.720 1.00 0.00 H new ATOM 0 HD11 ILE A 44 42.892 18.098 17.665 1.00 0.00 H new ATOM 0 HD12 ILE A 44 44.666 17.979 17.748 1.00 0.00 H new ATOM 0 HD13 ILE A 44 43.842 17.904 16.173 1.00 0.00 H new ATOM 930 N VAL A 45 45.528 12.209 15.363 1.00 0.00 N ATOM 931 CA VAL A 45 46.543 11.396 14.735 1.00 0.00 C ATOM 932 C VAL A 45 46.808 11.855 13.308 1.00 0.00 C ATOM 933 O VAL A 45 45.911 11.830 12.458 1.00 0.00 O ATOM 934 CB VAL A 45 46.123 9.907 14.708 1.00 0.00 C ATOM 935 CG1 VAL A 45 47.297 9.018 14.328 1.00 0.00 C ATOM 936 CG2 VAL A 45 45.531 9.488 16.045 1.00 0.00 C ATOM 0 H VAL A 45 44.578 12.017 15.045 1.00 0.00 H new ATOM 0 HA VAL A 45 47.452 11.507 15.326 1.00 0.00 H new ATOM 0 HB VAL A 45 45.353 9.787 13.946 1.00 0.00 H new ATOM 0 HG11 VAL A 45 46.976 7.976 14.316 1.00 0.00 H new ATOM 0 HG12 VAL A 45 47.660 9.297 13.339 1.00 0.00 H new ATOM 0 HG13 VAL A 45 48.098 9.142 15.056 1.00 0.00 H new ATOM 0 HG21 VAL A 45 45.243 8.438 16.002 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.272 9.629 16.831 1.00 0.00 H new ATOM 0 HG23 VAL A 45 44.653 10.096 16.261 1.00 0.00 H new ATOM 946 N THR A 46 48.023 12.290 13.055 1.00 0.00 N ATOM 947 CA THR A 46 48.428 12.689 11.730 1.00 0.00 C ATOM 948 C THR A 46 49.181 11.542 11.061 1.00 0.00 C ATOM 949 O THR A 46 50.293 11.187 11.467 1.00 0.00 O ATOM 950 CB THR A 46 49.314 13.949 11.770 1.00 0.00 C ATOM 951 OG1 THR A 46 48.628 14.993 12.479 1.00 0.00 O ATOM 952 CG2 THR A 46 49.640 14.429 10.362 1.00 0.00 C ATOM 0 H THR A 46 48.754 12.376 13.761 1.00 0.00 H new ATOM 0 HA THR A 46 47.534 12.928 11.155 1.00 0.00 H new ATOM 0 HB THR A 46 50.246 13.700 12.278 1.00 0.00 H new ATOM 0 HG1 THR A 46 49.009 15.861 12.232 1.00 0.00 H new ATOM 0 HG21 THR A 46 50.266 15.319 10.417 1.00 0.00 H new ATOM 0 HG22 THR A 46 50.172 13.644 9.824 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.716 14.668 9.836 1.00 0.00 H new ATOM 960 N PHE A 47 48.561 10.953 10.060 1.00 0.00 N ATOM 961 CA PHE A 47 49.134 9.812 9.356 1.00 0.00 C ATOM 962 C PHE A 47 50.076 10.269 8.251 1.00 0.00 C ATOM 963 O PHE A 47 50.327 11.465 8.089 1.00 0.00 O ATOM 964 CB PHE A 47 48.020 8.945 8.757 1.00 0.00 C ATOM 965 CG PHE A 47 47.055 8.408 9.774 1.00 0.00 C ATOM 966 CD1 PHE A 47 45.977 9.169 10.194 1.00 0.00 C ATOM 967 CD2 PHE A 47 47.220 7.141 10.304 1.00 0.00 C ATOM 968 CE1 PHE A 47 45.086 8.680 11.123 1.00 0.00 C ATOM 969 CE2 PHE A 47 46.332 6.644 11.237 1.00 0.00 C ATOM 970 CZ PHE A 47 45.263 7.415 11.647 1.00 0.00 C ATOM 0 H PHE A 47 47.649 11.246 9.708 1.00 0.00 H new ATOM 0 HA PHE A 47 49.703 9.224 10.076 1.00 0.00 H new ATOM 0 HB2 PHE A 47 47.469 9.534 8.023 1.00 0.00 H new ATOM 0 HB3 PHE A 47 48.471 8.110 8.222 1.00 0.00 H new ATOM 0 HD1 PHE A 47 45.833 10.159 9.788 1.00 0.00 H new ATOM 0 HD2 PHE A 47 48.053 6.533 9.984 1.00 0.00 H new ATOM 0 HE1 PHE A 47 44.250 9.285 11.441 1.00 0.00 H new ATOM 0 HE2 PHE A 47 46.473 5.654 11.645 1.00 0.00 H new ATOM 0 HZ PHE A 47 44.566 7.029 12.376 1.00 0.00 H new ATOM 980 N ASP A 48 50.589 9.306 7.484 1.00 0.00 N ATOM 981 CA ASP A 48 51.483 9.592 6.358 1.00 0.00 C ATOM 982 C ASP A 48 50.733 10.331 5.255 1.00 0.00 C ATOM 983 O ASP A 48 51.328 10.827 4.300 1.00 0.00 O ATOM 984 CB ASP A 48 52.081 8.301 5.804 1.00 0.00 C ATOM 985 CG ASP A 48 51.035 7.389 5.195 1.00 0.00 C ATOM 986 OD1 ASP A 48 50.285 6.753 5.959 1.00 0.00 O ATOM 987 OD2 ASP A 48 50.960 7.299 3.951 1.00 0.00 O ATOM 0 H ASP A 48 50.399 8.313 7.623 1.00 0.00 H new ATOM 0 HA ASP A 48 52.292 10.226 6.721 1.00 0.00 H new ATOM 0 HB2 ASP A 48 52.828 8.546 5.049 1.00 0.00 H new ATOM 0 HB3 ASP A 48 52.598 7.772 6.604 1.00 0.00 H new ATOM 992 N ASP A 49 49.419 10.400 5.403 1.00 0.00 N ATOM 993 CA ASP A 49 48.561 11.112 4.466 1.00 0.00 C ATOM 994 C ASP A 49 48.628 12.595 4.719 1.00 0.00 C ATOM 995 O ASP A 49 47.988 13.375 4.015 1.00 0.00 O ATOM 996 CB ASP A 49 47.102 10.651 4.599 1.00 0.00 C ATOM 997 CG ASP A 49 46.912 9.172 4.362 1.00 0.00 C ATOM 998 OD1 ASP A 49 46.910 8.747 3.192 1.00 0.00 O ATOM 999 OD2 ASP A 49 46.743 8.425 5.350 1.00 0.00 O ATOM 0 H ASP A 49 48.916 9.964 6.176 1.00 0.00 H new ATOM 0 HA ASP A 49 48.916 10.892 3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 49 46.740 10.900 5.597 1.00 0.00 H new ATOM 0 HB3 ASP A 49 46.488 11.206 3.890 1.00 0.00 H new ATOM 1004 N ARG A 50 49.379 12.984 5.760 1.00 0.00 N ATOM 1005 CA ARG A 50 49.542 14.388 6.146 1.00 0.00 C ATOM 1006 C ARG A 50 48.252 14.935 6.797 1.00 0.00 C ATOM 1007 O ARG A 50 48.256 15.983 7.446 1.00 0.00 O ATOM 1008 CB ARG A 50 49.973 15.237 4.927 1.00 0.00 C ATOM 1009 CG ARG A 50 49.830 16.722 5.125 1.00 0.00 C ATOM 1010 CD ARG A 50 50.196 17.501 3.876 1.00 0.00 C ATOM 1011 NE ARG A 50 50.007 18.942 4.067 1.00 0.00 N ATOM 1012 CZ ARG A 50 49.517 19.770 3.138 1.00 0.00 C ATOM 1013 NH1 ARG A 50 49.167 19.304 1.945 1.00 0.00 N ATOM 1014 NH2 ARG A 50 49.376 21.063 3.406 1.00 0.00 N ATOM 0 H ARG A 50 49.889 12.332 6.356 1.00 0.00 H new ATOM 0 HA ARG A 50 50.333 14.454 6.893 1.00 0.00 H new ATOM 0 HB2 ARG A 50 51.013 15.012 4.692 1.00 0.00 H new ATOM 0 HB3 ARG A 50 49.379 14.939 4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 50 48.803 16.953 5.408 1.00 0.00 H new ATOM 0 HG3 ARG A 50 50.467 17.040 5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 50 51.235 17.301 3.612 1.00 0.00 H new ATOM 0 HD3 ARG A 50 49.584 17.160 3.041 1.00 0.00 H new ATOM 0 HE ARG A 50 50.267 19.340 4.969 1.00 0.00 H new ATOM 0 HH11 ARG A 50 49.271 18.311 1.734 1.00 0.00 H new ATOM 0 HH12 ARG A 50 48.794 19.939 1.239 1.00 0.00 H new ATOM 0 HH21 ARG A 50 49.642 21.426 4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 50 49.002 21.693 2.696 1.00 0.00 H new ATOM 1028 N SER A 51 47.171 14.194 6.649 1.00 0.00 N ATOM 1029 CA SER A 51 45.901 14.576 7.207 1.00 0.00 C ATOM 1030 C SER A 51 45.834 14.151 8.664 1.00 0.00 C ATOM 1031 O SER A 51 46.359 13.094 9.041 1.00 0.00 O ATOM 1032 CB SER A 51 44.767 13.920 6.417 1.00 0.00 C ATOM 1033 OG SER A 51 43.499 14.428 6.807 1.00 0.00 O ATOM 0 H SER A 51 47.155 13.312 6.138 1.00 0.00 H new ATOM 0 HA SER A 51 45.793 15.659 7.146 1.00 0.00 H new ATOM 0 HB2 SER A 51 44.917 14.093 5.351 1.00 0.00 H new ATOM 0 HB3 SER A 51 44.791 12.841 6.572 1.00 0.00 H new ATOM 0 HG SER A 51 42.796 13.990 6.283 1.00 0.00 H new ATOM 1039 N SER A 52 45.208 14.969 9.472 1.00 0.00 N ATOM 1040 CA SER A 52 45.058 14.677 10.868 1.00 0.00 C ATOM 1041 C SER A 52 43.625 14.286 11.174 1.00 0.00 C ATOM 1042 O SER A 52 42.688 15.023 10.851 1.00 0.00 O ATOM 1043 CB SER A 52 45.468 15.889 11.685 1.00 0.00 C ATOM 1044 OG SER A 52 44.729 17.038 11.289 1.00 0.00 O ATOM 0 H SER A 52 44.791 15.852 9.178 1.00 0.00 H new ATOM 0 HA SER A 52 45.701 13.837 11.131 1.00 0.00 H new ATOM 0 HB2 SER A 52 45.303 15.692 12.744 1.00 0.00 H new ATOM 0 HB3 SER A 52 46.534 16.075 11.558 1.00 0.00 H new ATOM 0 HG SER A 52 43.833 16.767 11.000 1.00 0.00 H new ATOM 1050 N THR A 53 43.456 13.139 11.778 1.00 0.00 N ATOM 1051 CA THR A 53 42.146 12.654 12.132 1.00 0.00 C ATOM 1052 C THR A 53 42.097 12.378 13.630 1.00 0.00 C ATOM 1053 O THR A 53 43.041 11.829 14.194 1.00 0.00 O ATOM 1054 CB THR A 53 41.814 11.368 11.344 1.00 0.00 C ATOM 1055 OG1 THR A 53 42.077 11.583 9.944 1.00 0.00 O ATOM 1056 CG2 THR A 53 40.350 10.982 11.524 1.00 0.00 C ATOM 0 H THR A 53 44.220 12.515 12.038 1.00 0.00 H new ATOM 0 HA THR A 53 41.405 13.412 11.878 1.00 0.00 H new ATOM 0 HB THR A 53 42.438 10.560 11.725 1.00 0.00 H new ATOM 0 HG1 THR A 53 41.868 10.767 9.443 1.00 0.00 H new ATOM 0 HG21 THR A 53 40.141 10.073 10.959 1.00 0.00 H new ATOM 0 HG22 THR A 53 40.147 10.807 12.581 1.00 0.00 H new ATOM 0 HG23 THR A 53 39.714 11.789 11.161 1.00 0.00 H new ATOM 1064 N TRP A 54 41.019 12.782 14.275 1.00 0.00 N ATOM 1065 CA TRP A 54 40.897 12.593 15.704 1.00 0.00 C ATOM 1066 C TRP A 54 40.127 11.319 16.031 1.00 0.00 C ATOM 1067 O TRP A 54 39.107 11.017 15.414 1.00 0.00 O ATOM 1068 CB TRP A 54 40.245 13.820 16.375 1.00 0.00 C ATOM 1069 CG TRP A 54 38.861 14.133 15.883 1.00 0.00 C ATOM 1070 CD1 TRP A 54 38.526 14.858 14.778 1.00 0.00 C ATOM 1071 CD2 TRP A 54 37.624 13.732 16.490 1.00 0.00 C ATOM 1072 NE1 TRP A 54 37.161 14.931 14.659 1.00 0.00 N ATOM 1073 CE2 TRP A 54 36.586 14.245 15.697 1.00 0.00 C ATOM 1074 CE3 TRP A 54 37.300 12.985 17.628 1.00 0.00 C ATOM 1075 CZ2 TRP A 54 35.242 14.037 16.002 1.00 0.00 C ATOM 1076 CZ3 TRP A 54 35.967 12.780 17.930 1.00 0.00 C ATOM 1077 CH2 TRP A 54 34.954 13.304 17.118 1.00 0.00 C ATOM 0 H TRP A 54 40.221 13.240 13.834 1.00 0.00 H new ATOM 0 HA TRP A 54 41.904 12.486 16.108 1.00 0.00 H new ATOM 0 HB2 TRP A 54 40.206 13.652 17.451 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.881 14.690 16.211 1.00 0.00 H new ATOM 0 HD1 TRP A 54 39.232 15.309 14.096 1.00 0.00 H new ATOM 0 HE1 TRP A 54 36.656 15.417 13.918 1.00 0.00 H new ATOM 0 HE3 TRP A 54 38.076 12.577 18.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 34.457 14.440 15.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 35.703 12.207 18.806 1.00 0.00 H new ATOM 0 HH2 TRP A 54 33.922 13.125 17.380 1.00 0.00 H new ATOM 1088 N PHE A 55 40.649 10.573 16.979 1.00 0.00 N ATOM 1089 CA PHE A 55 40.032 9.337 17.438 1.00 0.00 C ATOM 1090 C PHE A 55 39.934 9.379 18.947 1.00 0.00 C ATOM 1091 O PHE A 55 40.533 10.248 19.577 1.00 0.00 O ATOM 1092 CB PHE A 55 40.872 8.127 17.016 1.00 0.00 C ATOM 1093 CG PHE A 55 41.067 8.002 15.534 1.00 0.00 C ATOM 1094 CD1 PHE A 55 40.147 7.324 14.753 1.00 0.00 C ATOM 1095 CD2 PHE A 55 42.174 8.562 14.922 1.00 0.00 C ATOM 1096 CE1 PHE A 55 40.330 7.211 13.389 1.00 0.00 C ATOM 1097 CE2 PHE A 55 42.360 8.452 13.563 1.00 0.00 C ATOM 1098 CZ PHE A 55 41.439 7.775 12.795 1.00 0.00 C ATOM 0 H PHE A 55 41.519 10.804 17.459 1.00 0.00 H new ATOM 0 HA PHE A 55 39.041 9.242 16.994 1.00 0.00 H new ATOM 0 HB2 PHE A 55 41.849 8.191 17.496 1.00 0.00 H new ATOM 0 HB3 PHE A 55 40.394 7.220 17.386 1.00 0.00 H new ATOM 0 HD1 PHE A 55 39.278 6.879 15.215 1.00 0.00 H new ATOM 0 HD2 PHE A 55 42.902 9.092 15.518 1.00 0.00 H new ATOM 0 HE1 PHE A 55 39.605 6.681 12.788 1.00 0.00 H new ATOM 0 HE2 PHE A 55 43.228 8.896 13.099 1.00 0.00 H new ATOM 0 HZ PHE A 55 41.585 7.686 11.729 1.00 0.00 H new ATOM 1108 N PHE A 56 39.194 8.466 19.534 1.00 0.00 N ATOM 1109 CA PHE A 56 39.087 8.439 20.981 1.00 0.00 C ATOM 1110 C PHE A 56 40.365 7.886 21.611 1.00 0.00 C ATOM 1111 O PHE A 56 41.124 7.155 20.973 1.00 0.00 O ATOM 1112 CB PHE A 56 37.869 7.632 21.445 1.00 0.00 C ATOM 1113 CG PHE A 56 36.555 8.200 20.979 1.00 0.00 C ATOM 1114 CD1 PHE A 56 36.020 9.325 21.588 1.00 0.00 C ATOM 1115 CD2 PHE A 56 35.858 7.613 19.937 1.00 0.00 C ATOM 1116 CE1 PHE A 56 34.814 9.851 21.165 1.00 0.00 C ATOM 1117 CE2 PHE A 56 34.651 8.135 19.509 1.00 0.00 C ATOM 1118 CZ PHE A 56 34.129 9.256 20.124 1.00 0.00 C ATOM 0 H PHE A 56 38.665 7.743 19.046 1.00 0.00 H new ATOM 0 HA PHE A 56 38.951 9.468 21.315 1.00 0.00 H new ATOM 0 HB2 PHE A 56 37.962 6.609 21.081 1.00 0.00 H new ATOM 0 HB3 PHE A 56 37.869 7.585 22.534 1.00 0.00 H new ATOM 0 HD1 PHE A 56 36.552 9.795 22.402 1.00 0.00 H new ATOM 0 HD2 PHE A 56 36.262 6.736 19.452 1.00 0.00 H new ATOM 0 HE1 PHE A 56 34.407 10.727 21.648 1.00 0.00 H new ATOM 0 HE2 PHE A 56 34.117 7.667 18.695 1.00 0.00 H new ATOM 0 HZ PHE A 56 33.187 9.666 19.791 1.00 0.00 H new ATOM 1128 N GLU A 57 40.597 8.253 22.856 1.00 0.00 N ATOM 1129 CA GLU A 57 41.774 7.818 23.609 1.00 0.00 C ATOM 1130 C GLU A 57 41.904 6.281 23.666 1.00 0.00 C ATOM 1131 O GLU A 57 43.005 5.744 23.652 1.00 0.00 O ATOM 1132 CB GLU A 57 41.708 8.399 25.021 1.00 0.00 C ATOM 1133 CG GLU A 57 40.339 8.240 25.667 1.00 0.00 C ATOM 1134 CD GLU A 57 40.290 8.758 27.082 1.00 0.00 C ATOM 1135 OE1 GLU A 57 40.900 8.117 27.971 1.00 0.00 O ATOM 1136 OE2 GLU A 57 39.631 9.792 27.319 1.00 0.00 O ATOM 0 H GLU A 57 39.975 8.865 23.384 1.00 0.00 H new ATOM 0 HA GLU A 57 42.659 8.187 23.091 1.00 0.00 H new ATOM 0 HB2 GLU A 57 42.457 7.910 25.644 1.00 0.00 H new ATOM 0 HB3 GLU A 57 41.966 9.457 24.985 1.00 0.00 H new ATOM 0 HG2 GLU A 57 39.597 8.767 25.067 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.062 7.186 25.662 1.00 0.00 H new ATOM 1143 N ASP A 58 40.773 5.588 23.714 1.00 0.00 N ATOM 1144 CA ASP A 58 40.759 4.117 23.793 1.00 0.00 C ATOM 1145 C ASP A 58 40.592 3.503 22.395 1.00 0.00 C ATOM 1146 O ASP A 58 40.406 2.295 22.234 1.00 0.00 O ATOM 1147 CB ASP A 58 39.611 3.670 24.719 1.00 0.00 C ATOM 1148 CG ASP A 58 39.539 2.169 24.933 1.00 0.00 C ATOM 1149 OD1 ASP A 58 40.444 1.614 25.585 1.00 0.00 O ATOM 1150 OD2 ASP A 58 38.550 1.546 24.472 1.00 0.00 O ATOM 0 H ASP A 58 39.847 6.015 23.700 1.00 0.00 H new ATOM 0 HA ASP A 58 41.708 3.770 24.201 1.00 0.00 H new ATOM 0 HB2 ASP A 58 39.727 4.159 25.686 1.00 0.00 H new ATOM 0 HB3 ASP A 58 38.665 4.013 24.299 1.00 0.00 H new ATOM 1155 N GLU A 59 40.684 4.344 21.389 1.00 0.00 N ATOM 1156 CA GLU A 59 40.469 3.928 20.013 1.00 0.00 C ATOM 1157 C GLU A 59 41.789 3.598 19.325 1.00 0.00 C ATOM 1158 O GLU A 59 41.832 2.832 18.349 1.00 0.00 O ATOM 1159 CB GLU A 59 39.755 5.056 19.280 1.00 0.00 C ATOM 1160 CG GLU A 59 39.091 4.669 17.991 1.00 0.00 C ATOM 1161 CD GLU A 59 37.663 5.169 17.947 1.00 0.00 C ATOM 1162 OE1 GLU A 59 36.754 4.432 18.424 1.00 0.00 O ATOM 1163 OE2 GLU A 59 37.449 6.298 17.483 1.00 0.00 O ATOM 0 H GLU A 59 40.909 5.333 21.497 1.00 0.00 H new ATOM 0 HA GLU A 59 39.861 3.024 19.997 1.00 0.00 H new ATOM 0 HB2 GLU A 59 39.001 5.478 19.945 1.00 0.00 H new ATOM 0 HB3 GLU A 59 40.477 5.846 19.074 1.00 0.00 H new ATOM 0 HG2 GLU A 59 39.651 5.081 17.151 1.00 0.00 H new ATOM 0 HG3 GLU A 59 39.104 3.585 17.882 1.00 0.00 H new ATOM 1170 N VAL A 60 42.866 4.146 19.852 1.00 0.00 N ATOM 1171 CA VAL A 60 44.173 3.962 19.262 1.00 0.00 C ATOM 1172 C VAL A 60 45.171 3.403 20.276 1.00 0.00 C ATOM 1173 O VAL A 60 44.958 3.495 21.485 1.00 0.00 O ATOM 1174 CB VAL A 60 44.716 5.291 18.679 1.00 0.00 C ATOM 1175 CG1 VAL A 60 43.805 5.814 17.581 1.00 0.00 C ATOM 1176 CG2 VAL A 60 44.889 6.337 19.775 1.00 0.00 C ATOM 0 H VAL A 60 42.859 4.725 20.692 1.00 0.00 H new ATOM 0 HA VAL A 60 44.057 3.241 18.453 1.00 0.00 H new ATOM 0 HB VAL A 60 45.695 5.089 18.243 1.00 0.00 H new ATOM 0 HG11 VAL A 60 44.208 6.748 17.188 1.00 0.00 H new ATOM 0 HG12 VAL A 60 43.743 5.079 16.778 1.00 0.00 H new ATOM 0 HG13 VAL A 60 42.809 5.991 17.988 1.00 0.00 H new ATOM 0 HG21 VAL A 60 45.271 7.260 19.340 1.00 0.00 H new ATOM 0 HG22 VAL A 60 43.927 6.530 20.249 1.00 0.00 H new ATOM 0 HG23 VAL A 60 45.593 5.969 20.521 1.00 0.00 H new ATOM 1186 N GLU A 61 46.243 2.815 19.771 1.00 0.00 N ATOM 1187 CA GLU A 61 47.291 2.254 20.615 1.00 0.00 C ATOM 1188 C GLU A 61 48.611 2.983 20.383 1.00 0.00 C ATOM 1189 O GLU A 61 48.952 3.313 19.250 1.00 0.00 O ATOM 1190 CB GLU A 61 47.460 0.762 20.326 1.00 0.00 C ATOM 1191 CG GLU A 61 47.720 0.447 18.863 1.00 0.00 C ATOM 1192 CD GLU A 61 47.938 -1.020 18.611 1.00 0.00 C ATOM 1193 OE1 GLU A 61 47.100 -1.838 19.051 1.00 0.00 O ATOM 1194 OE2 GLU A 61 48.940 -1.374 17.963 1.00 0.00 O ATOM 0 H GLU A 61 46.413 2.712 18.771 1.00 0.00 H new ATOM 0 HA GLU A 61 47.000 2.382 21.658 1.00 0.00 H new ATOM 0 HB2 GLU A 61 48.286 0.377 20.923 1.00 0.00 H new ATOM 0 HB3 GLU A 61 46.562 0.235 20.647 1.00 0.00 H new ATOM 0 HG2 GLU A 61 46.875 0.792 18.266 1.00 0.00 H new ATOM 0 HG3 GLU A 61 48.595 1.003 18.527 1.00 0.00 H new ATOM 1201 N VAL A 62 49.343 3.226 21.457 1.00 0.00 N ATOM 1202 CA VAL A 62 50.618 3.933 21.381 1.00 0.00 C ATOM 1203 C VAL A 62 51.743 2.977 21.007 1.00 0.00 C ATOM 1204 O VAL A 62 51.891 1.911 21.610 1.00 0.00 O ATOM 1205 CB VAL A 62 50.958 4.613 22.725 1.00 0.00 C ATOM 1206 CG1 VAL A 62 52.213 5.467 22.602 1.00 0.00 C ATOM 1207 CG2 VAL A 62 49.786 5.445 23.217 1.00 0.00 C ATOM 0 H VAL A 62 49.077 2.943 22.400 1.00 0.00 H new ATOM 0 HA VAL A 62 50.521 4.698 20.610 1.00 0.00 H new ATOM 0 HB VAL A 62 51.154 3.831 23.459 1.00 0.00 H new ATOM 0 HG11 VAL A 62 52.430 5.935 23.562 1.00 0.00 H new ATOM 0 HG12 VAL A 62 53.053 4.839 22.306 1.00 0.00 H new ATOM 0 HG13 VAL A 62 52.055 6.240 21.850 1.00 0.00 H new ATOM 0 HG21 VAL A 62 50.046 5.915 24.165 1.00 0.00 H new ATOM 0 HG22 VAL A 62 49.552 6.215 22.482 1.00 0.00 H new ATOM 0 HG23 VAL A 62 48.917 4.802 23.358 1.00 0.00 H new ATOM 1217 N VAL A 63 52.535 3.363 20.021 1.00 0.00 N ATOM 1218 CA VAL A 63 53.641 2.549 19.552 1.00 0.00 C ATOM 1219 C VAL A 63 54.866 3.414 19.276 1.00 0.00 C ATOM 1220 O VAL A 63 54.760 4.511 18.719 1.00 0.00 O ATOM 1221 CB VAL A 63 53.279 1.733 18.275 1.00 0.00 C ATOM 1222 CG1 VAL A 63 52.265 0.642 18.593 1.00 0.00 C ATOM 1223 CG2 VAL A 63 52.747 2.645 17.179 1.00 0.00 C ATOM 0 H VAL A 63 52.429 4.248 19.525 1.00 0.00 H new ATOM 0 HA VAL A 63 53.866 1.839 20.348 1.00 0.00 H new ATOM 0 HB VAL A 63 54.192 1.259 17.916 1.00 0.00 H new ATOM 0 HG11 VAL A 63 52.030 0.088 17.684 1.00 0.00 H new ATOM 0 HG12 VAL A 63 52.683 -0.038 19.335 1.00 0.00 H new ATOM 0 HG13 VAL A 63 51.355 1.095 18.988 1.00 0.00 H new ATOM 0 HG21 VAL A 63 52.502 2.051 16.299 1.00 0.00 H new ATOM 0 HG22 VAL A 63 51.851 3.156 17.533 1.00 0.00 H new ATOM 0 HG23 VAL A 63 53.506 3.383 16.919 1.00 0.00 H new ATOM 1233 N GLY A 64 56.011 2.923 19.675 1.00 0.00 N ATOM 1234 CA GLY A 64 57.239 3.649 19.486 1.00 0.00 C ATOM 1235 C GLY A 64 58.250 3.323 20.559 1.00 0.00 C ATOM 1236 O GLY A 64 57.835 2.999 21.695 1.00 0.00 O ATOM 1237 OXT GLY A 64 59.458 3.386 20.286 1.00 0.00 O ATOM 0 H GLY A 64 56.118 2.019 20.135 1.00 0.00 H new ATOM 0 HA2 GLY A 64 57.656 3.410 18.508 1.00 0.00 H new ATOM 0 HA3 GLY A 64 57.034 4.719 19.492 1.00 0.00 H new