USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 529 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 THR OG1 : rot -133:sc= 0.448 USER MOD Set 1.2: A 46 THR OG1 : rot -150:sc= 0.503 USER MOD Single : A 1 MET CE :methyl 156:sc= -2.93! (180deg=-3.32) USER MOD Single : A 5 GLN : amide:sc= -0.847 X(o=-0.85,f=-0.43) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 ILE N :NH3+ -159:sc= -0.211 (180deg=-0.92) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 23 LYS NZ :NH3+ -126:sc= 0.0614 (180deg=-0.127) USER MOD Single : A 26 GLN : amide:sc= -1.72! C(o=-1.7!,f=-9.1!) USER MOD Single : A 29 GLN : amide:sc= 1.02 K(o=1,f=-0.49) USER MOD Single : A 34 LYS NZ :NH3+ -138:sc= 0.0377 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -170:sc= -0.794 USER MOD Single : A 39 SER OG : rot -119:sc= -0.146 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 42:sc= 0.0559 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 181 N ILE A -3 45.141 9.284 30.492 1.00 0.00 N ATOM 182 CA ILE A -3 45.490 9.672 29.131 1.00 0.00 C ATOM 183 C ILE A -3 46.933 10.141 29.037 1.00 0.00 C ATOM 184 O ILE A -3 47.690 9.662 28.208 1.00 0.00 O ATOM 185 CB ILE A -3 44.568 10.793 28.617 1.00 0.00 C ATOM 186 CG1 ILE A -3 43.112 10.432 28.886 1.00 0.00 C ATOM 187 CG2 ILE A -3 44.797 11.040 27.129 1.00 0.00 C ATOM 188 CD1 ILE A -3 42.123 11.450 28.377 1.00 0.00 C ATOM 0 H1 ILE A -3 44.313 8.655 30.472 1.00 0.00 H new ATOM 0 H2 ILE A -3 45.944 8.786 30.928 1.00 0.00 H new ATOM 0 H3 ILE A -3 44.917 10.134 31.049 1.00 0.00 H new ATOM 0 HA ILE A -3 45.362 8.785 28.511 1.00 0.00 H new ATOM 0 HB ILE A -3 44.805 11.714 29.150 1.00 0.00 H new ATOM 0 HG12 ILE A -3 42.896 9.469 28.424 1.00 0.00 H new ATOM 0 HG13 ILE A -3 42.971 10.309 29.960 1.00 0.00 H new ATOM 0 HG21 ILE A -3 44.136 11.836 26.786 1.00 0.00 H new ATOM 0 HG22 ILE A -3 45.834 11.334 26.964 1.00 0.00 H new ATOM 0 HG23 ILE A -3 44.586 10.127 26.572 1.00 0.00 H new ATOM 0 HD11 ILE A -3 41.110 11.120 28.607 1.00 0.00 H new ATOM 0 HD12 ILE A -3 42.310 12.410 28.857 1.00 0.00 H new ATOM 0 HD13 ILE A -3 42.233 11.556 27.298 1.00 0.00 H new ATOM 200 N GLU A -2 47.313 11.053 29.910 1.00 0.00 N ATOM 201 CA GLU A -2 48.653 11.617 29.884 1.00 0.00 C ATOM 202 C GLU A -2 49.710 10.589 30.329 1.00 0.00 C ATOM 203 O GLU A -2 50.906 10.773 30.108 1.00 0.00 O ATOM 204 CB GLU A -2 48.703 12.887 30.742 1.00 0.00 C ATOM 205 CG GLU A -2 50.070 13.547 30.798 1.00 0.00 C ATOM 206 CD GLU A -2 50.034 14.931 31.393 1.00 0.00 C ATOM 207 OE1 GLU A -2 49.815 15.056 32.613 1.00 0.00 O ATOM 208 OE2 GLU A -2 50.251 15.908 30.644 1.00 0.00 O ATOM 0 H GLU A -2 46.713 11.421 30.648 1.00 0.00 H new ATOM 0 HA GLU A -2 48.894 11.887 28.856 1.00 0.00 H new ATOM 0 HB2 GLU A -2 47.981 13.604 30.352 1.00 0.00 H new ATOM 0 HB3 GLU A -2 48.390 12.639 31.756 1.00 0.00 H new ATOM 0 HG2 GLU A -2 50.744 12.923 31.385 1.00 0.00 H new ATOM 0 HG3 GLU A -2 50.482 13.602 29.790 1.00 0.00 H new ATOM 215 N GLY A -1 49.262 9.495 30.919 1.00 0.00 N ATOM 216 CA GLY A -1 50.184 8.463 31.350 1.00 0.00 C ATOM 217 C GLY A -1 50.574 7.532 30.214 1.00 0.00 C ATOM 218 O GLY A -1 51.430 6.661 30.379 1.00 0.00 O ATOM 0 H GLY A -1 48.279 9.301 31.108 1.00 0.00 H new ATOM 0 HA2 GLY A -1 51.080 8.927 31.761 1.00 0.00 H new ATOM 0 HA3 GLY A -1 49.729 7.883 32.153 1.00 0.00 H new ATOM 222 N ARG A 0 49.948 7.716 29.059 1.00 0.00 N ATOM 223 CA ARG A 0 50.222 6.877 27.896 1.00 0.00 C ATOM 224 C ARG A 0 50.293 7.691 26.607 1.00 0.00 C ATOM 225 O ARG A 0 51.149 7.453 25.764 1.00 0.00 O ATOM 226 CB ARG A 0 49.165 5.774 27.759 1.00 0.00 C ATOM 227 CG ARG A 0 47.742 6.235 28.037 1.00 0.00 C ATOM 228 CD ARG A 0 46.728 5.195 27.607 1.00 0.00 C ATOM 229 NE ARG A 0 46.686 5.057 26.152 1.00 0.00 N ATOM 230 CZ ARG A 0 46.178 4.013 25.503 1.00 0.00 C ATOM 231 NH1 ARG A 0 45.664 3.000 26.176 1.00 0.00 N ATOM 232 NH2 ARG A 0 46.185 3.997 24.176 1.00 0.00 N ATOM 0 H ARG A 0 49.246 8.439 28.901 1.00 0.00 H new ATOM 0 HA ARG A 0 51.198 6.420 28.057 1.00 0.00 H new ATOM 0 HB2 ARG A 0 49.212 5.365 26.750 1.00 0.00 H new ATOM 0 HB3 ARG A 0 49.412 4.963 28.443 1.00 0.00 H new ATOM 0 HG2 ARG A 0 47.626 6.440 29.101 1.00 0.00 H new ATOM 0 HG3 ARG A 0 47.552 7.170 27.510 1.00 0.00 H new ATOM 0 HD2 ARG A 0 46.977 4.234 28.058 1.00 0.00 H new ATOM 0 HD3 ARG A 0 45.741 5.474 27.976 1.00 0.00 H new ATOM 0 HE ARG A 0 47.075 5.817 25.594 1.00 0.00 H new ATOM 0 HH11 ARG A 0 45.656 3.017 27.196 1.00 0.00 H new ATOM 0 HH12 ARG A 0 45.275 2.201 25.676 1.00 0.00 H new ATOM 0 HH21 ARG A 0 46.579 4.783 23.659 1.00 0.00 H new ATOM 0 HH22 ARG A 0 45.797 3.199 23.674 1.00 0.00 H new ATOM 246 N MET A 1 49.398 8.649 26.461 1.00 0.00 N ATOM 247 CA MET A 1 49.340 9.453 25.252 1.00 0.00 C ATOM 248 C MET A 1 50.240 10.669 25.385 1.00 0.00 C ATOM 249 O MET A 1 50.195 11.378 26.394 1.00 0.00 O ATOM 250 CB MET A 1 47.900 9.904 24.965 1.00 0.00 C ATOM 251 CG MET A 1 46.846 8.817 25.162 1.00 0.00 C ATOM 252 SD MET A 1 47.194 7.304 24.244 1.00 0.00 S ATOM 253 CE MET A 1 47.057 7.884 22.565 1.00 0.00 C ATOM 0 H MET A 1 48.700 8.891 27.164 1.00 0.00 H new ATOM 0 HA MET A 1 49.686 8.839 24.420 1.00 0.00 H new ATOM 0 HB2 MET A 1 47.660 10.747 25.613 1.00 0.00 H new ATOM 0 HB3 MET A 1 47.844 10.266 23.938 1.00 0.00 H new ATOM 0 HG2 MET A 1 46.774 8.580 26.223 1.00 0.00 H new ATOM 0 HG3 MET A 1 45.874 9.204 24.855 1.00 0.00 H new ATOM 0 HE1 MET A 1 47.635 7.235 21.907 1.00 0.00 H new ATOM 0 HE2 MET A 1 46.011 7.871 22.260 1.00 0.00 H new ATOM 0 HE3 MET A 1 47.442 8.902 22.499 1.00 0.00 H new ATOM 263 N ASP A 2 51.051 10.903 24.374 1.00 0.00 N ATOM 264 CA ASP A 2 51.975 12.028 24.371 1.00 0.00 C ATOM 265 C ASP A 2 52.095 12.608 22.974 1.00 0.00 C ATOM 266 O ASP A 2 52.168 11.866 21.993 1.00 0.00 O ATOM 267 CB ASP A 2 53.355 11.577 24.870 1.00 0.00 C ATOM 268 CG ASP A 2 54.418 12.649 24.732 1.00 0.00 C ATOM 269 OD1 ASP A 2 54.382 13.638 25.499 1.00 0.00 O ATOM 270 OD2 ASP A 2 55.315 12.499 23.871 1.00 0.00 O ATOM 0 H ASP A 2 51.092 10.325 23.534 1.00 0.00 H new ATOM 0 HA ASP A 2 51.589 12.798 25.039 1.00 0.00 H new ATOM 0 HB2 ASP A 2 53.278 11.283 25.917 1.00 0.00 H new ATOM 0 HB3 ASP A 2 53.665 10.693 24.313 1.00 0.00 H new ATOM 275 N VAL A 3 52.092 13.932 22.877 1.00 0.00 N ATOM 276 CA VAL A 3 52.246 14.598 21.592 1.00 0.00 C ATOM 277 C VAL A 3 53.622 14.282 21.021 1.00 0.00 C ATOM 278 O VAL A 3 54.644 14.675 21.585 1.00 0.00 O ATOM 279 CB VAL A 3 52.067 16.130 21.714 1.00 0.00 C ATOM 280 CG1 VAL A 3 52.205 16.801 20.355 1.00 0.00 C ATOM 281 CG2 VAL A 3 50.718 16.461 22.339 1.00 0.00 C ATOM 0 H VAL A 3 51.985 14.563 23.671 1.00 0.00 H new ATOM 0 HA VAL A 3 51.469 14.228 20.923 1.00 0.00 H new ATOM 0 HB VAL A 3 52.853 16.514 22.364 1.00 0.00 H new ATOM 0 HG11 VAL A 3 52.075 17.878 20.466 1.00 0.00 H new ATOM 0 HG12 VAL A 3 53.194 16.595 19.946 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.444 16.412 19.678 1.00 0.00 H new ATOM 0 HG21 VAL A 3 50.609 17.543 22.417 1.00 0.00 H new ATOM 0 HG22 VAL A 3 49.920 16.060 21.715 1.00 0.00 H new ATOM 0 HG23 VAL A 3 50.659 16.018 23.333 1.00 0.00 H new ATOM 291 N GLY A 4 53.640 13.570 19.913 1.00 0.00 N ATOM 292 CA GLY A 4 54.885 13.141 19.325 1.00 0.00 C ATOM 293 C GLY A 4 54.979 11.629 19.277 1.00 0.00 C ATOM 294 O GLY A 4 55.842 11.069 18.598 1.00 0.00 O ATOM 0 H GLY A 4 52.805 13.278 19.404 1.00 0.00 H new ATOM 0 HA2 GLY A 4 54.972 13.545 18.316 1.00 0.00 H new ATOM 0 HA3 GLY A 4 55.719 13.541 19.902 1.00 0.00 H new ATOM 298 N GLN A 5 54.090 10.967 20.005 1.00 0.00 N ATOM 299 CA GLN A 5 54.043 9.513 20.022 1.00 0.00 C ATOM 300 C GLN A 5 53.279 8.980 18.829 1.00 0.00 C ATOM 301 O GLN A 5 52.424 9.668 18.268 1.00 0.00 O ATOM 302 CB GLN A 5 53.410 9.005 21.318 1.00 0.00 C ATOM 303 CG GLN A 5 54.366 8.968 22.491 1.00 0.00 C ATOM 304 CD GLN A 5 55.466 7.950 22.291 1.00 0.00 C ATOM 305 OE1 GLN A 5 55.331 6.794 22.670 1.00 0.00 O ATOM 306 NE2 GLN A 5 56.557 8.370 21.693 1.00 0.00 N ATOM 0 H GLN A 5 53.389 11.417 20.594 1.00 0.00 H new ATOM 0 HA GLN A 5 55.069 9.148 19.967 1.00 0.00 H new ATOM 0 HB2 GLN A 5 52.563 9.642 21.572 1.00 0.00 H new ATOM 0 HB3 GLN A 5 53.016 8.003 21.150 1.00 0.00 H new ATOM 0 HG2 GLN A 5 54.806 9.955 22.632 1.00 0.00 H new ATOM 0 HG3 GLN A 5 53.815 8.732 23.401 1.00 0.00 H new ATOM 0 HE21 GLN A 5 56.632 9.342 21.392 1.00 0.00 H new ATOM 0 HE22 GLN A 5 57.330 7.725 21.530 1.00 0.00 H new ATOM 315 N LYS A 6 53.589 7.758 18.446 1.00 0.00 N ATOM 316 CA LYS A 6 52.934 7.122 17.326 1.00 0.00 C ATOM 317 C LYS A 6 51.756 6.316 17.824 1.00 0.00 C ATOM 318 O LYS A 6 51.822 5.718 18.891 1.00 0.00 O ATOM 319 CB LYS A 6 53.913 6.212 16.587 1.00 0.00 C ATOM 320 CG LYS A 6 55.179 6.916 16.127 1.00 0.00 C ATOM 321 CD LYS A 6 56.135 5.960 15.432 1.00 0.00 C ATOM 322 CE LYS A 6 55.497 5.311 14.215 1.00 0.00 C ATOM 323 NZ LYS A 6 56.450 4.446 13.487 1.00 0.00 N ATOM 0 H LYS A 6 54.298 7.182 18.901 1.00 0.00 H new ATOM 0 HA LYS A 6 52.583 7.889 16.635 1.00 0.00 H new ATOM 0 HB2 LYS A 6 54.186 5.383 17.239 1.00 0.00 H new ATOM 0 HB3 LYS A 6 53.411 5.783 15.719 1.00 0.00 H new ATOM 0 HG2 LYS A 6 54.918 7.727 15.447 1.00 0.00 H new ATOM 0 HG3 LYS A 6 55.676 7.368 16.985 1.00 0.00 H new ATOM 0 HD2 LYS A 6 57.032 6.500 15.128 1.00 0.00 H new ATOM 0 HD3 LYS A 6 56.450 5.187 16.133 1.00 0.00 H new ATOM 0 HE2 LYS A 6 54.637 4.720 14.528 1.00 0.00 H new ATOM 0 HE3 LYS A 6 55.124 6.085 13.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 55.976 4.023 12.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 57.259 5.015 13.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 56.786 3.692 14.119 1.00 0.00 H new ATOM 337 N VAL A 7 50.680 6.312 17.075 1.00 0.00 N ATOM 338 CA VAL A 7 49.493 5.574 17.463 1.00 0.00 C ATOM 339 C VAL A 7 48.801 4.969 16.262 1.00 0.00 C ATOM 340 O VAL A 7 48.685 5.599 15.213 1.00 0.00 O ATOM 341 CB VAL A 7 48.478 6.452 18.246 1.00 0.00 C ATOM 342 CG1 VAL A 7 48.972 6.743 19.652 1.00 0.00 C ATOM 343 CG2 VAL A 7 48.206 7.749 17.505 1.00 0.00 C ATOM 0 H VAL A 7 50.598 6.812 16.190 1.00 0.00 H new ATOM 0 HA VAL A 7 49.839 4.778 18.122 1.00 0.00 H new ATOM 0 HB VAL A 7 47.546 5.892 18.323 1.00 0.00 H new ATOM 0 HG11 VAL A 7 48.240 7.359 20.175 1.00 0.00 H new ATOM 0 HG12 VAL A 7 49.108 5.806 20.191 1.00 0.00 H new ATOM 0 HG13 VAL A 7 49.923 7.274 19.601 1.00 0.00 H new ATOM 0 HG21 VAL A 7 47.493 8.349 18.071 1.00 0.00 H new ATOM 0 HG22 VAL A 7 49.137 8.305 17.390 1.00 0.00 H new ATOM 0 HG23 VAL A 7 47.793 7.526 16.521 1.00 0.00 H new ATOM 353 N ARG A 8 48.355 3.744 16.414 1.00 0.00 N ATOM 354 CA ARG A 8 47.650 3.060 15.355 1.00 0.00 C ATOM 355 C ARG A 8 46.224 2.761 15.796 1.00 0.00 C ATOM 356 O ARG A 8 46.006 2.251 16.900 1.00 0.00 O ATOM 357 CB ARG A 8 48.375 1.765 14.974 1.00 0.00 C ATOM 358 CG ARG A 8 47.832 1.105 13.719 1.00 0.00 C ATOM 359 CD ARG A 8 48.525 -0.215 13.429 1.00 0.00 C ATOM 360 NE ARG A 8 49.969 -0.063 13.214 1.00 0.00 N ATOM 361 CZ ARG A 8 50.585 -0.235 12.036 1.00 0.00 C ATOM 362 NH1 ARG A 8 49.882 -0.463 10.934 1.00 0.00 N ATOM 363 NH2 ARG A 8 51.907 -0.159 11.966 1.00 0.00 N ATOM 0 H ARG A 8 48.469 3.197 17.267 1.00 0.00 H new ATOM 0 HA ARG A 8 47.622 3.705 14.476 1.00 0.00 H new ATOM 0 HB2 ARG A 8 49.434 1.981 14.831 1.00 0.00 H new ATOM 0 HB3 ARG A 8 48.303 1.062 15.804 1.00 0.00 H new ATOM 0 HG2 ARG A 8 46.761 0.936 13.832 1.00 0.00 H new ATOM 0 HG3 ARG A 8 47.961 1.777 12.870 1.00 0.00 H new ATOM 0 HD2 ARG A 8 48.356 -0.899 14.260 1.00 0.00 H new ATOM 0 HD3 ARG A 8 48.076 -0.669 12.546 1.00 0.00 H new ATOM 0 HE ARG A 8 50.544 0.191 14.017 1.00 0.00 H new ATOM 0 HH11 ARG A 8 48.864 -0.509 10.979 1.00 0.00 H new ATOM 0 HH12 ARG A 8 50.360 -0.593 10.042 1.00 0.00 H new ATOM 0 HH21 ARG A 8 52.452 0.030 12.807 1.00 0.00 H new ATOM 0 HH22 ARG A 8 52.379 -0.289 11.071 1.00 0.00 H new ATOM 377 N VAL A 9 45.263 3.094 14.951 1.00 0.00 N ATOM 378 CA VAL A 9 43.858 2.868 15.266 1.00 0.00 C ATOM 379 C VAL A 9 43.547 1.376 15.252 1.00 0.00 C ATOM 380 O VAL A 9 43.688 0.714 14.222 1.00 0.00 O ATOM 381 CB VAL A 9 42.932 3.603 14.274 1.00 0.00 C ATOM 382 CG1 VAL A 9 41.485 3.498 14.715 1.00 0.00 C ATOM 383 CG2 VAL A 9 43.341 5.059 14.140 1.00 0.00 C ATOM 0 H VAL A 9 45.428 3.522 14.040 1.00 0.00 H new ATOM 0 HA VAL A 9 43.674 3.267 16.263 1.00 0.00 H new ATOM 0 HB VAL A 9 43.030 3.126 13.299 1.00 0.00 H new ATOM 0 HG11 VAL A 9 40.848 4.023 14.002 1.00 0.00 H new ATOM 0 HG12 VAL A 9 41.193 2.449 14.758 1.00 0.00 H new ATOM 0 HG13 VAL A 9 41.372 3.947 15.702 1.00 0.00 H new ATOM 0 HG21 VAL A 9 42.676 5.560 13.436 1.00 0.00 H new ATOM 0 HG22 VAL A 9 43.274 5.547 15.113 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.366 5.117 13.775 1.00 0.00 H new ATOM 393 N CYS A 10 43.139 0.854 16.400 1.00 0.00 N ATOM 394 CA CYS A 10 42.865 -0.571 16.543 1.00 0.00 C ATOM 395 C CYS A 10 41.371 -0.854 16.473 1.00 0.00 C ATOM 396 O CYS A 10 40.947 -1.900 15.984 1.00 0.00 O ATOM 397 CB CYS A 10 43.423 -1.075 17.877 1.00 0.00 C ATOM 398 SG CYS A 10 43.396 -2.874 18.067 1.00 0.00 S ATOM 0 H CYS A 10 42.990 1.398 17.250 1.00 0.00 H new ATOM 0 HA CYS A 10 43.351 -1.094 15.720 1.00 0.00 H new ATOM 0 HB2 CYS A 10 44.450 -0.726 17.982 1.00 0.00 H new ATOM 0 HB3 CYS A 10 42.850 -0.628 18.689 1.00 0.00 H new ATOM 0 HG CYS A 10 43.890 -3.195 19.226 1.00 0.00 H new ATOM 404 N ARG A 11 40.580 0.081 16.948 1.00 0.00 N ATOM 405 CA ARG A 11 39.141 -0.086 16.989 1.00 0.00 C ATOM 406 C ARG A 11 38.458 1.181 16.528 1.00 0.00 C ATOM 407 O ARG A 11 39.097 2.213 16.414 1.00 0.00 O ATOM 408 CB ARG A 11 38.702 -0.445 18.414 1.00 0.00 C ATOM 409 CG ARG A 11 39.274 0.481 19.479 1.00 0.00 C ATOM 410 CD ARG A 11 38.870 0.053 20.880 1.00 0.00 C ATOM 411 NE ARG A 11 39.345 -1.294 21.196 1.00 0.00 N ATOM 412 CZ ARG A 11 39.617 -1.736 22.424 1.00 0.00 C ATOM 413 NH1 ARG A 11 39.497 -0.928 23.475 1.00 0.00 N ATOM 414 NH2 ARG A 11 40.022 -2.986 22.599 1.00 0.00 N ATOM 0 H ARG A 11 40.911 0.973 17.315 1.00 0.00 H new ATOM 0 HA ARG A 11 38.854 -0.896 16.318 1.00 0.00 H new ATOM 0 HB2 ARG A 11 37.614 -0.418 18.468 1.00 0.00 H new ATOM 0 HB3 ARG A 11 39.007 -1.468 18.632 1.00 0.00 H new ATOM 0 HG2 ARG A 11 40.361 0.494 19.403 1.00 0.00 H new ATOM 0 HG3 ARG A 11 38.930 1.499 19.297 1.00 0.00 H new ATOM 0 HD2 ARG A 11 39.272 0.760 21.606 1.00 0.00 H new ATOM 0 HD3 ARG A 11 37.784 0.086 20.971 1.00 0.00 H new ATOM 0 HE ARG A 11 39.478 -1.943 20.420 1.00 0.00 H new ATOM 0 HH11 ARG A 11 39.195 0.037 23.344 1.00 0.00 H new ATOM 0 HH12 ARG A 11 39.707 -1.274 24.411 1.00 0.00 H new ATOM 0 HH21 ARG A 11 40.125 -3.606 21.796 1.00 0.00 H new ATOM 0 HH22 ARG A 11 40.231 -3.328 23.537 1.00 0.00 H new ATOM 428 N ILE A 12 37.174 1.092 16.237 1.00 0.00 N ATOM 429 CA ILE A 12 36.407 2.251 15.810 1.00 0.00 C ATOM 430 C ILE A 12 35.116 2.353 16.600 1.00 0.00 C ATOM 431 O ILE A 12 34.323 1.409 16.635 1.00 0.00 O ATOM 432 CB ILE A 12 36.067 2.197 14.295 1.00 0.00 C ATOM 433 CG1 ILE A 12 37.338 2.302 13.444 1.00 0.00 C ATOM 434 CG2 ILE A 12 35.080 3.303 13.923 1.00 0.00 C ATOM 435 CD1 ILE A 12 38.013 3.656 13.501 1.00 0.00 C ATOM 0 H ILE A 12 36.637 0.226 16.288 1.00 0.00 H new ATOM 0 HA ILE A 12 37.029 3.127 15.994 1.00 0.00 H new ATOM 0 HB ILE A 12 35.599 1.234 14.089 1.00 0.00 H new ATOM 0 HG12 ILE A 12 38.046 1.541 13.773 1.00 0.00 H new ATOM 0 HG13 ILE A 12 37.087 2.077 12.407 1.00 0.00 H new ATOM 0 HG21 ILE A 12 34.855 3.247 12.858 1.00 0.00 H new ATOM 0 HG22 ILE A 12 34.161 3.178 14.495 1.00 0.00 H new ATOM 0 HG23 ILE A 12 35.519 4.274 14.151 1.00 0.00 H new ATOM 0 HD11 ILE A 12 38.903 3.646 12.872 1.00 0.00 H new ATOM 0 HD12 ILE A 12 37.324 4.421 13.143 1.00 0.00 H new ATOM 0 HD13 ILE A 12 38.298 3.877 14.530 1.00 0.00 H new ATOM 447 N ARG A 13 34.923 3.479 17.248 1.00 0.00 N ATOM 448 CA ARG A 13 33.701 3.731 17.987 1.00 0.00 C ATOM 449 C ARG A 13 32.519 3.901 17.040 1.00 0.00 C ATOM 450 O ARG A 13 32.541 4.761 16.149 1.00 0.00 O ATOM 451 CB ARG A 13 33.846 4.972 18.878 1.00 0.00 C ATOM 452 CG ARG A 13 34.365 4.684 20.285 1.00 0.00 C ATOM 453 CD ARG A 13 35.712 3.977 20.265 1.00 0.00 C ATOM 454 NE ARG A 13 36.185 3.664 21.615 1.00 0.00 N ATOM 455 CZ ARG A 13 35.897 2.535 22.266 1.00 0.00 C ATOM 456 NH1 ARG A 13 35.116 1.618 21.706 1.00 0.00 N ATOM 457 NH2 ARG A 13 36.387 2.323 23.475 1.00 0.00 N ATOM 0 H ARG A 13 35.600 4.241 17.280 1.00 0.00 H new ATOM 0 HA ARG A 13 33.514 2.867 18.624 1.00 0.00 H new ATOM 0 HB2 ARG A 13 34.522 5.676 18.392 1.00 0.00 H new ATOM 0 HB3 ARG A 13 32.876 5.463 18.956 1.00 0.00 H new ATOM 0 HG2 ARG A 13 34.456 5.620 20.836 1.00 0.00 H new ATOM 0 HG3 ARG A 13 33.641 4.069 20.819 1.00 0.00 H new ATOM 0 HD2 ARG A 13 35.630 3.057 19.687 1.00 0.00 H new ATOM 0 HD3 ARG A 13 36.445 4.607 19.760 1.00 0.00 H new ATOM 0 HE ARG A 13 36.771 4.352 22.088 1.00 0.00 H new ATOM 0 HH11 ARG A 13 34.733 1.775 20.774 1.00 0.00 H new ATOM 0 HH12 ARG A 13 34.899 0.757 22.208 1.00 0.00 H new ATOM 0 HH21 ARG A 13 36.986 3.023 23.912 1.00 0.00 H new ATOM 0 HH22 ARG A 13 36.166 1.460 23.971 1.00 0.00 H new ATOM 471 N ASP A 14 31.505 3.057 17.231 1.00 0.00 N ATOM 472 CA ASP A 14 30.266 3.092 16.448 1.00 0.00 C ATOM 473 C ASP A 14 30.514 2.669 14.985 1.00 0.00 C ATOM 474 O ASP A 14 31.490 1.977 14.686 1.00 0.00 O ATOM 475 CB ASP A 14 29.616 4.487 16.527 1.00 0.00 C ATOM 476 CG ASP A 14 28.131 4.458 16.235 1.00 0.00 C ATOM 477 OD1 ASP A 14 27.348 4.135 17.153 1.00 0.00 O ATOM 478 OD2 ASP A 14 27.743 4.748 15.089 1.00 0.00 O ATOM 0 H ASP A 14 31.519 2.323 17.939 1.00 0.00 H new ATOM 0 HA ASP A 14 29.572 2.370 16.879 1.00 0.00 H new ATOM 0 HB2 ASP A 14 29.778 4.903 17.521 1.00 0.00 H new ATOM 0 HB3 ASP A 14 30.108 5.153 15.819 1.00 0.00 H new ATOM 483 N ARG A 15 29.609 3.065 14.094 1.00 0.00 N ATOM 484 CA ARG A 15 29.687 2.724 12.676 1.00 0.00 C ATOM 485 C ARG A 15 30.972 3.274 12.049 1.00 0.00 C ATOM 486 O ARG A 15 31.338 4.434 12.263 1.00 0.00 O ATOM 487 CB ARG A 15 28.423 3.251 11.955 1.00 0.00 C ATOM 488 CG ARG A 15 28.386 3.045 10.442 1.00 0.00 C ATOM 489 CD ARG A 15 29.025 4.211 9.707 1.00 0.00 C ATOM 490 NE ARG A 15 28.881 4.109 8.260 1.00 0.00 N ATOM 491 CZ ARG A 15 29.234 5.071 7.408 1.00 0.00 C ATOM 492 NH1 ARG A 15 29.764 6.202 7.860 1.00 0.00 N ATOM 493 NH2 ARG A 15 29.061 4.906 6.108 1.00 0.00 N ATOM 0 H ARG A 15 28.798 3.634 14.336 1.00 0.00 H new ATOM 0 HA ARG A 15 29.723 1.640 12.565 1.00 0.00 H new ATOM 0 HB2 ARG A 15 27.550 2.765 12.390 1.00 0.00 H new ATOM 0 HB3 ARG A 15 28.329 4.317 12.160 1.00 0.00 H new ATOM 0 HG2 ARG A 15 28.907 2.122 10.186 1.00 0.00 H new ATOM 0 HG3 ARG A 15 27.353 2.929 10.114 1.00 0.00 H new ATOM 0 HD2 ARG A 15 28.573 5.142 10.048 1.00 0.00 H new ATOM 0 HD3 ARG A 15 30.084 4.259 9.960 1.00 0.00 H new ATOM 0 HE ARG A 15 28.486 3.250 7.877 1.00 0.00 H new ATOM 0 HH11 ARG A 15 29.902 6.336 8.862 1.00 0.00 H new ATOM 0 HH12 ARG A 15 30.033 6.936 7.205 1.00 0.00 H new ATOM 0 HH21 ARG A 15 28.656 4.040 5.753 1.00 0.00 H new ATOM 0 HH22 ARG A 15 29.333 5.645 5.460 1.00 0.00 H new ATOM 507 N VAL A 16 31.644 2.435 11.273 1.00 0.00 N ATOM 508 CA VAL A 16 32.900 2.806 10.645 1.00 0.00 C ATOM 509 C VAL A 16 32.656 3.457 9.287 1.00 0.00 C ATOM 510 O VAL A 16 32.040 2.859 8.405 1.00 0.00 O ATOM 511 CB VAL A 16 33.819 1.577 10.452 1.00 0.00 C ATOM 512 CG1 VAL A 16 35.220 2.012 10.057 1.00 0.00 C ATOM 513 CG2 VAL A 16 33.850 0.716 11.705 1.00 0.00 C ATOM 0 H VAL A 16 31.335 1.486 11.063 1.00 0.00 H new ATOM 0 HA VAL A 16 33.391 3.517 11.309 1.00 0.00 H new ATOM 0 HB VAL A 16 33.410 0.972 9.643 1.00 0.00 H new ATOM 0 HG11 VAL A 16 35.851 1.133 9.926 1.00 0.00 H new ATOM 0 HG12 VAL A 16 35.178 2.570 9.122 1.00 0.00 H new ATOM 0 HG13 VAL A 16 35.638 2.645 10.839 1.00 0.00 H new ATOM 0 HG21 VAL A 16 34.503 -0.141 11.542 1.00 0.00 H new ATOM 0 HG22 VAL A 16 34.226 1.305 12.542 1.00 0.00 H new ATOM 0 HG23 VAL A 16 32.843 0.366 11.931 1.00 0.00 H new ATOM 523 N ALA A 17 33.125 4.686 9.137 1.00 0.00 N ATOM 524 CA ALA A 17 32.990 5.423 7.891 1.00 0.00 C ATOM 525 C ALA A 17 34.112 5.066 6.924 1.00 0.00 C ATOM 526 O ALA A 17 35.123 4.479 7.322 1.00 0.00 O ATOM 527 CB ALA A 17 32.992 6.920 8.161 1.00 0.00 C ATOM 0 H ALA A 17 33.609 5.199 9.874 1.00 0.00 H new ATOM 0 HA ALA A 17 32.040 5.145 7.434 1.00 0.00 H new ATOM 0 HB1 ALA A 17 32.890 7.460 7.219 1.00 0.00 H new ATOM 0 HB2 ALA A 17 32.158 7.173 8.816 1.00 0.00 H new ATOM 0 HB3 ALA A 17 33.929 7.202 8.641 1.00 0.00 H new ATOM 533 N GLN A 18 33.939 5.449 5.667 1.00 0.00 N ATOM 534 CA GLN A 18 34.924 5.168 4.623 1.00 0.00 C ATOM 535 C GLN A 18 36.258 5.854 4.913 1.00 0.00 C ATOM 536 O GLN A 18 37.319 5.307 4.641 1.00 0.00 O ATOM 537 CB GLN A 18 34.400 5.629 3.264 1.00 0.00 C ATOM 538 CG GLN A 18 33.135 4.923 2.810 1.00 0.00 C ATOM 539 CD GLN A 18 32.575 5.511 1.530 1.00 0.00 C ATOM 540 OE1 GLN A 18 33.315 6.035 0.699 1.00 0.00 O ATOM 541 NE2 GLN A 18 31.274 5.435 1.362 1.00 0.00 N ATOM 0 H GLN A 18 33.119 5.960 5.340 1.00 0.00 H new ATOM 0 HA GLN A 18 35.088 4.090 4.607 1.00 0.00 H new ATOM 0 HB2 GLN A 18 34.208 6.701 3.306 1.00 0.00 H new ATOM 0 HB3 GLN A 18 35.177 5.473 2.516 1.00 0.00 H new ATOM 0 HG2 GLN A 18 33.347 3.865 2.659 1.00 0.00 H new ATOM 0 HG3 GLN A 18 32.383 4.988 3.596 1.00 0.00 H new ATOM 0 HE21 GLN A 18 30.693 4.993 2.074 1.00 0.00 H new ATOM 0 HE22 GLN A 18 30.845 5.818 0.520 1.00 0.00 H new ATOM 550 N ASP A 19 36.200 7.047 5.468 1.00 0.00 N ATOM 551 CA ASP A 19 37.416 7.796 5.749 1.00 0.00 C ATOM 552 C ASP A 19 38.196 7.205 6.917 1.00 0.00 C ATOM 553 O ASP A 19 39.423 7.123 6.871 1.00 0.00 O ATOM 554 CB ASP A 19 37.109 9.270 6.013 1.00 0.00 C ATOM 555 CG ASP A 19 38.367 10.075 6.284 1.00 0.00 C ATOM 556 OD1 ASP A 19 39.253 10.121 5.400 1.00 0.00 O ATOM 557 OD2 ASP A 19 38.486 10.657 7.380 1.00 0.00 O ATOM 0 H ASP A 19 35.335 7.519 5.733 1.00 0.00 H new ATOM 0 HA ASP A 19 38.041 7.722 4.859 1.00 0.00 H new ATOM 0 HB2 ASP A 19 36.588 9.691 5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 19 36.435 9.353 6.866 1.00 0.00 H new ATOM 562 N ILE A 20 37.491 6.771 7.951 1.00 0.00 N ATOM 563 CA ILE A 20 38.157 6.257 9.140 1.00 0.00 C ATOM 564 C ILE A 20 38.557 4.784 9.014 1.00 0.00 C ATOM 565 O ILE A 20 39.450 4.330 9.721 1.00 0.00 O ATOM 566 CB ILE A 20 37.341 6.492 10.434 1.00 0.00 C ATOM 567 CG1 ILE A 20 35.970 5.821 10.351 1.00 0.00 C ATOM 568 CG2 ILE A 20 37.196 7.985 10.702 1.00 0.00 C ATOM 569 CD1 ILE A 20 35.115 6.031 11.587 1.00 0.00 C ATOM 0 H ILE A 20 36.472 6.764 7.993 1.00 0.00 H new ATOM 0 HA ILE A 20 39.076 6.838 9.219 1.00 0.00 H new ATOM 0 HB ILE A 20 37.882 6.039 11.265 1.00 0.00 H new ATOM 0 HG12 ILE A 20 35.438 6.207 9.482 1.00 0.00 H new ATOM 0 HG13 ILE A 20 36.107 4.751 10.192 1.00 0.00 H new ATOM 0 HG21 ILE A 20 36.620 8.137 11.615 1.00 0.00 H new ATOM 0 HG22 ILE A 20 38.184 8.431 10.818 1.00 0.00 H new ATOM 0 HG23 ILE A 20 36.680 8.456 9.865 1.00 0.00 H new ATOM 0 HD11 ILE A 20 34.157 5.527 11.457 1.00 0.00 H new ATOM 0 HD12 ILE A 20 35.626 5.619 12.457 1.00 0.00 H new ATOM 0 HD13 ILE A 20 34.946 7.098 11.736 1.00 0.00 H new ATOM 581 N ILE A 21 37.916 4.036 8.106 1.00 0.00 N ATOM 582 CA ILE A 21 38.302 2.632 7.892 1.00 0.00 C ATOM 583 C ILE A 21 39.703 2.577 7.275 1.00 0.00 C ATOM 584 O ILE A 21 40.426 1.589 7.406 1.00 0.00 O ATOM 585 CB ILE A 21 37.283 1.852 6.991 1.00 0.00 C ATOM 586 CG1 ILE A 21 37.628 0.353 6.939 1.00 0.00 C ATOM 587 CG2 ILE A 21 37.244 2.423 5.585 1.00 0.00 C ATOM 588 CD1 ILE A 21 37.522 -0.355 8.274 1.00 0.00 C ATOM 0 H ILE A 21 37.148 4.366 7.521 1.00 0.00 H new ATOM 0 HA ILE A 21 38.299 2.140 8.865 1.00 0.00 H new ATOM 0 HB ILE A 21 36.296 1.969 7.439 1.00 0.00 H new ATOM 0 HG12 ILE A 21 36.964 -0.137 6.227 1.00 0.00 H new ATOM 0 HG13 ILE A 21 38.643 0.238 6.559 1.00 0.00 H new ATOM 0 HG21 ILE A 21 36.529 1.862 4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 21 36.942 3.469 5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 21 38.234 2.349 5.134 1.00 0.00 H new ATOM 0 HD11 ILE A 21 37.781 -1.406 8.150 1.00 0.00 H new ATOM 0 HD12 ILE A 21 38.207 0.106 8.986 1.00 0.00 H new ATOM 0 HD13 ILE A 21 36.501 -0.275 8.648 1.00 0.00 H new ATOM 600 N GLN A 22 40.081 3.670 6.623 1.00 0.00 N ATOM 601 CA GLN A 22 41.397 3.803 6.038 1.00 0.00 C ATOM 602 C GLN A 22 42.439 4.020 7.130 1.00 0.00 C ATOM 603 O GLN A 22 43.611 3.696 6.962 1.00 0.00 O ATOM 604 CB GLN A 22 41.409 4.954 5.032 1.00 0.00 C ATOM 605 CG GLN A 22 40.523 4.700 3.818 1.00 0.00 C ATOM 606 CD GLN A 22 40.352 5.922 2.938 1.00 0.00 C ATOM 607 OE1 GLN A 22 41.229 6.787 2.865 1.00 0.00 O ATOM 608 NE2 GLN A 22 39.223 6.005 2.263 1.00 0.00 N ATOM 0 H GLN A 22 39.481 4.484 6.489 1.00 0.00 H new ATOM 0 HA GLN A 22 41.647 2.884 5.509 1.00 0.00 H new ATOM 0 HB2 GLN A 22 41.080 5.866 5.530 1.00 0.00 H new ATOM 0 HB3 GLN A 22 42.432 5.125 4.698 1.00 0.00 H new ATOM 0 HG2 GLN A 22 40.952 3.891 3.226 1.00 0.00 H new ATOM 0 HG3 GLN A 22 39.543 4.363 4.156 1.00 0.00 H new ATOM 0 HE21 GLN A 22 38.522 5.269 2.350 1.00 0.00 H new ATOM 0 HE22 GLN A 22 39.051 6.805 1.654 1.00 0.00 H new ATOM 617 N LYS A 23 41.996 4.563 8.256 1.00 0.00 N ATOM 618 CA LYS A 23 42.863 4.778 9.396 1.00 0.00 C ATOM 619 C LYS A 23 42.891 3.567 10.302 1.00 0.00 C ATOM 620 O LYS A 23 43.833 3.380 11.066 1.00 0.00 O ATOM 621 CB LYS A 23 42.450 6.017 10.174 1.00 0.00 C ATOM 622 CG LYS A 23 42.920 7.284 9.534 1.00 0.00 C ATOM 623 CD LYS A 23 41.990 7.738 8.465 1.00 0.00 C ATOM 624 CE LYS A 23 42.614 8.836 7.652 1.00 0.00 C ATOM 625 NZ LYS A 23 41.722 9.300 6.553 1.00 0.00 N ATOM 0 H LYS A 23 41.032 4.863 8.400 1.00 0.00 H new ATOM 0 HA LYS A 23 43.871 4.937 9.013 1.00 0.00 H new ATOM 0 HB2 LYS A 23 41.364 6.040 10.262 1.00 0.00 H new ATOM 0 HB3 LYS A 23 42.850 5.956 11.186 1.00 0.00 H new ATOM 0 HG2 LYS A 23 43.011 8.062 10.292 1.00 0.00 H new ATOM 0 HG3 LYS A 23 43.913 7.132 9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 23 41.734 6.899 7.818 1.00 0.00 H new ATOM 0 HD3 LYS A 23 41.060 8.092 8.911 1.00 0.00 H new ATOM 0 HE2 LYS A 23 42.853 9.677 8.303 1.00 0.00 H new ATOM 0 HE3 LYS A 23 43.555 8.483 7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 42.231 9.249 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 40.879 8.693 6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 41.432 10.282 6.733 1.00 0.00 H new ATOM 639 N LEU A 24 41.857 2.751 10.223 1.00 0.00 N ATOM 640 CA LEU A 24 41.807 1.532 11.001 1.00 0.00 C ATOM 641 C LEU A 24 42.899 0.598 10.501 1.00 0.00 C ATOM 642 O LEU A 24 42.828 0.077 9.385 1.00 0.00 O ATOM 643 CB LEU A 24 40.413 0.880 10.889 1.00 0.00 C ATOM 644 CG LEU A 24 40.048 -0.172 11.964 1.00 0.00 C ATOM 645 CD1 LEU A 24 40.800 -1.474 11.744 1.00 0.00 C ATOM 646 CD2 LEU A 24 40.328 0.371 13.359 1.00 0.00 C ATOM 0 H LEU A 24 41.043 2.911 9.629 1.00 0.00 H new ATOM 0 HA LEU A 24 41.977 1.750 12.055 1.00 0.00 H new ATOM 0 HB2 LEU A 24 39.664 1.671 10.920 1.00 0.00 H new ATOM 0 HB3 LEU A 24 40.337 0.407 9.910 1.00 0.00 H new ATOM 0 HG LEU A 24 38.982 -0.381 11.875 1.00 0.00 H new ATOM 0 HD11 LEU A 24 40.520 -2.191 12.516 1.00 0.00 H new ATOM 0 HD12 LEU A 24 40.547 -1.879 10.764 1.00 0.00 H new ATOM 0 HD13 LEU A 24 41.873 -1.287 11.794 1.00 0.00 H new ATOM 0 HD21 LEU A 24 40.065 -0.382 14.102 1.00 0.00 H new ATOM 0 HD22 LEU A 24 41.386 0.616 13.449 1.00 0.00 H new ATOM 0 HD23 LEU A 24 39.733 1.269 13.526 1.00 0.00 H new ATOM 658 N GLY A 25 43.915 0.419 11.314 1.00 0.00 N ATOM 659 CA GLY A 25 45.038 -0.386 10.918 1.00 0.00 C ATOM 660 C GLY A 25 46.207 0.469 10.468 1.00 0.00 C ATOM 661 O GLY A 25 47.315 -0.030 10.290 1.00 0.00 O ATOM 0 H GLY A 25 43.983 0.820 12.249 1.00 0.00 H new ATOM 0 HA2 GLY A 25 45.347 -1.016 11.752 1.00 0.00 H new ATOM 0 HA3 GLY A 25 44.741 -1.053 10.108 1.00 0.00 H new ATOM 665 N GLN A 26 45.964 1.766 10.294 1.00 0.00 N ATOM 666 CA GLN A 26 47.008 2.694 9.876 1.00 0.00 C ATOM 667 C GLN A 26 47.612 3.376 11.099 1.00 0.00 C ATOM 668 O GLN A 26 46.891 3.740 12.035 1.00 0.00 O ATOM 669 CB GLN A 26 46.453 3.754 8.894 1.00 0.00 C ATOM 670 CG GLN A 26 47.536 4.612 8.254 1.00 0.00 C ATOM 671 CD GLN A 26 47.001 5.683 7.317 1.00 0.00 C ATOM 672 OE1 GLN A 26 47.605 6.742 7.165 1.00 0.00 O ATOM 673 NE2 GLN A 26 45.874 5.423 6.684 1.00 0.00 N ATOM 0 H GLN A 26 45.051 2.197 10.437 1.00 0.00 H new ATOM 0 HA GLN A 26 47.782 2.128 9.358 1.00 0.00 H new ATOM 0 HB2 GLN A 26 45.888 3.251 8.110 1.00 0.00 H new ATOM 0 HB3 GLN A 26 45.755 4.400 9.426 1.00 0.00 H new ATOM 0 HG2 GLN A 26 48.119 5.090 9.041 1.00 0.00 H new ATOM 0 HG3 GLN A 26 48.217 3.966 7.700 1.00 0.00 H new ATOM 0 HE21 GLN A 26 45.399 4.533 6.834 1.00 0.00 H new ATOM 0 HE22 GLN A 26 45.478 6.112 6.045 1.00 0.00 H new ATOM 682 N VAL A 27 48.926 3.528 11.106 1.00 0.00 N ATOM 683 CA VAL A 27 49.600 4.157 12.225 1.00 0.00 C ATOM 684 C VAL A 27 49.922 5.622 11.906 1.00 0.00 C ATOM 685 O VAL A 27 50.300 5.956 10.780 1.00 0.00 O ATOM 686 CB VAL A 27 50.901 3.393 12.629 1.00 0.00 C ATOM 687 CG1 VAL A 27 51.947 3.443 11.528 1.00 0.00 C ATOM 688 CG2 VAL A 27 51.471 3.932 13.935 1.00 0.00 C ATOM 0 H VAL A 27 49.543 3.225 10.352 1.00 0.00 H new ATOM 0 HA VAL A 27 48.919 4.119 13.075 1.00 0.00 H new ATOM 0 HB VAL A 27 50.627 2.349 12.779 1.00 0.00 H new ATOM 0 HG11 VAL A 27 52.837 2.901 11.847 1.00 0.00 H new ATOM 0 HG12 VAL A 27 51.546 2.984 10.624 1.00 0.00 H new ATOM 0 HG13 VAL A 27 52.209 4.481 11.322 1.00 0.00 H new ATOM 0 HG21 VAL A 27 52.376 3.382 14.192 1.00 0.00 H new ATOM 0 HG22 VAL A 27 51.710 4.989 13.819 1.00 0.00 H new ATOM 0 HG23 VAL A 27 50.735 3.811 14.730 1.00 0.00 H new ATOM 698 N GLY A 28 49.734 6.484 12.881 1.00 0.00 N ATOM 699 CA GLY A 28 50.021 7.885 12.706 1.00 0.00 C ATOM 700 C GLY A 28 50.764 8.443 13.894 1.00 0.00 C ATOM 701 O GLY A 28 51.252 7.686 14.733 1.00 0.00 O ATOM 0 H GLY A 28 49.382 6.235 13.805 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.615 8.027 11.803 1.00 0.00 H new ATOM 0 HA3 GLY A 28 49.090 8.435 12.565 1.00 0.00 H new ATOM 705 N GLN A 29 50.849 9.752 13.982 1.00 0.00 N ATOM 706 CA GLN A 29 51.540 10.390 15.086 1.00 0.00 C ATOM 707 C GLN A 29 50.640 11.419 15.767 1.00 0.00 C ATOM 708 O GLN A 29 49.927 12.173 15.100 1.00 0.00 O ATOM 709 CB GLN A 29 52.837 11.043 14.600 1.00 0.00 C ATOM 710 CG GLN A 29 53.670 11.667 15.710 1.00 0.00 C ATOM 711 CD GLN A 29 54.996 12.204 15.215 1.00 0.00 C ATOM 712 OE1 GLN A 29 55.127 12.620 14.063 1.00 0.00 O ATOM 713 NE2 GLN A 29 55.991 12.188 16.074 1.00 0.00 N ATOM 0 H GLN A 29 50.448 10.398 13.302 1.00 0.00 H new ATOM 0 HA GLN A 29 51.794 9.625 15.819 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.439 10.293 14.086 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.592 11.812 13.867 1.00 0.00 H new ATOM 0 HG2 GLN A 29 53.105 12.477 16.172 1.00 0.00 H new ATOM 0 HG3 GLN A 29 53.851 10.922 16.485 1.00 0.00 H new ATOM 0 HE21 GLN A 29 55.843 11.836 17.020 1.00 0.00 H new ATOM 0 HE22 GLN A 29 56.911 12.528 15.795 1.00 0.00 H new ATOM 722 N ILE A 30 50.667 11.426 17.092 1.00 0.00 N ATOM 723 CA ILE A 30 49.870 12.353 17.884 1.00 0.00 C ATOM 724 C ILE A 30 50.408 13.767 17.743 1.00 0.00 C ATOM 725 O ILE A 30 51.555 14.035 18.098 1.00 0.00 O ATOM 726 CB ILE A 30 49.894 11.978 19.385 1.00 0.00 C ATOM 727 CG1 ILE A 30 49.436 10.535 19.588 1.00 0.00 C ATOM 728 CG2 ILE A 30 49.021 12.937 20.193 1.00 0.00 C ATOM 729 CD1 ILE A 30 49.529 10.066 21.023 1.00 0.00 C ATOM 0 H ILE A 30 51.240 10.791 17.648 1.00 0.00 H new ATOM 0 HA ILE A 30 48.847 12.295 17.512 1.00 0.00 H new ATOM 0 HB ILE A 30 50.920 12.064 19.742 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.404 10.439 19.249 1.00 0.00 H new ATOM 0 HG13 ILE A 30 50.040 9.879 18.960 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.051 12.657 21.246 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.395 13.954 20.077 1.00 0.00 H new ATOM 0 HG23 ILE A 30 47.994 12.885 19.833 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.187 9.033 21.091 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.564 10.129 21.360 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.903 10.697 21.653 1.00 0.00 H new ATOM 741 N THR A 31 49.592 14.660 17.231 1.00 0.00 N ATOM 742 CA THR A 31 49.996 16.037 17.076 1.00 0.00 C ATOM 743 C THR A 31 49.293 16.948 18.079 1.00 0.00 C ATOM 744 O THR A 31 49.533 18.156 18.112 1.00 0.00 O ATOM 745 CB THR A 31 49.758 16.532 15.649 1.00 0.00 C ATOM 746 OG1 THR A 31 48.485 16.073 15.170 1.00 0.00 O ATOM 747 CG2 THR A 31 50.862 16.049 14.724 1.00 0.00 C ATOM 0 H THR A 31 48.644 14.456 16.915 1.00 0.00 H new ATOM 0 HA THR A 31 51.066 16.077 17.278 1.00 0.00 H new ATOM 0 HB THR A 31 49.763 17.622 15.660 1.00 0.00 H new ATOM 0 HG1 THR A 31 48.588 15.707 14.267 1.00 0.00 H new ATOM 0 HG21 THR A 31 50.675 16.412 13.713 1.00 0.00 H new ATOM 0 HG22 THR A 31 51.822 16.429 15.074 1.00 0.00 H new ATOM 0 HG23 THR A 31 50.883 14.959 14.720 1.00 0.00 H new ATOM 755 N GLY A 32 48.435 16.365 18.905 1.00 0.00 N ATOM 756 CA GLY A 32 47.751 17.138 19.912 1.00 0.00 C ATOM 757 C GLY A 32 46.524 16.437 20.443 1.00 0.00 C ATOM 758 O GLY A 32 46.190 15.335 20.003 1.00 0.00 O ATOM 0 H GLY A 32 48.203 15.372 18.893 1.00 0.00 H new ATOM 0 HA2 GLY A 32 48.435 17.341 20.736 1.00 0.00 H new ATOM 0 HA3 GLY A 32 47.462 18.102 19.492 1.00 0.00 H new ATOM 762 N PHE A 33 45.863 17.066 21.391 1.00 0.00 N ATOM 763 CA PHE A 33 44.649 16.521 21.972 1.00 0.00 C ATOM 764 C PHE A 33 43.456 17.385 21.597 1.00 0.00 C ATOM 765 O PHE A 33 43.607 18.572 21.306 1.00 0.00 O ATOM 766 CB PHE A 33 44.770 16.423 23.494 1.00 0.00 C ATOM 767 CG PHE A 33 45.791 15.422 23.959 1.00 0.00 C ATOM 768 CD1 PHE A 33 45.486 14.072 23.991 1.00 0.00 C ATOM 769 CD2 PHE A 33 47.053 15.831 24.366 1.00 0.00 C ATOM 770 CE1 PHE A 33 46.416 13.147 24.418 1.00 0.00 C ATOM 771 CE2 PHE A 33 47.988 14.909 24.797 1.00 0.00 C ATOM 772 CZ PHE A 33 47.669 13.566 24.822 1.00 0.00 C ATOM 0 H PHE A 33 46.148 17.965 21.781 1.00 0.00 H new ATOM 0 HA PHE A 33 44.500 15.517 21.575 1.00 0.00 H new ATOM 0 HB2 PHE A 33 45.029 17.404 23.892 1.00 0.00 H new ATOM 0 HB3 PHE A 33 43.798 16.157 23.910 1.00 0.00 H new ATOM 0 HD1 PHE A 33 44.508 13.739 23.678 1.00 0.00 H new ATOM 0 HD2 PHE A 33 47.307 16.880 24.346 1.00 0.00 H new ATOM 0 HE1 PHE A 33 46.165 12.097 24.436 1.00 0.00 H new ATOM 0 HE2 PHE A 33 48.967 15.239 25.114 1.00 0.00 H new ATOM 0 HZ PHE A 33 48.398 12.843 25.157 1.00 0.00 H new ATOM 782 N LYS A 34 42.284 16.793 21.608 1.00 0.00 N ATOM 783 CA LYS A 34 41.070 17.496 21.246 1.00 0.00 C ATOM 784 C LYS A 34 39.994 17.270 22.302 1.00 0.00 C ATOM 785 O LYS A 34 40.010 16.263 22.997 1.00 0.00 O ATOM 786 CB LYS A 34 40.562 16.989 19.893 1.00 0.00 C ATOM 787 CG LYS A 34 39.528 17.888 19.254 1.00 0.00 C ATOM 788 CD LYS A 34 38.757 17.174 18.157 1.00 0.00 C ATOM 789 CE LYS A 34 37.681 18.073 17.576 1.00 0.00 C ATOM 790 NZ LYS A 34 36.888 17.390 16.524 1.00 0.00 N ATOM 0 H LYS A 34 42.143 15.816 21.866 1.00 0.00 H new ATOM 0 HA LYS A 34 41.290 18.561 21.181 1.00 0.00 H new ATOM 0 HB2 LYS A 34 41.408 16.884 19.214 1.00 0.00 H new ATOM 0 HB3 LYS A 34 40.134 15.995 20.025 1.00 0.00 H new ATOM 0 HG2 LYS A 34 38.833 18.240 20.016 1.00 0.00 H new ATOM 0 HG3 LYS A 34 40.019 18.768 18.839 1.00 0.00 H new ATOM 0 HD2 LYS A 34 39.442 16.864 17.368 1.00 0.00 H new ATOM 0 HD3 LYS A 34 38.302 16.268 18.558 1.00 0.00 H new ATOM 0 HE2 LYS A 34 37.015 18.403 18.374 1.00 0.00 H new ATOM 0 HE3 LYS A 34 38.144 18.967 17.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 36.726 18.044 15.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 37.408 16.556 16.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 35.973 17.090 16.918 1.00 0.00 H new ATOM 804 N MET A 35 39.080 18.211 22.431 1.00 0.00 N ATOM 805 CA MET A 35 37.964 18.057 23.352 1.00 0.00 C ATOM 806 C MET A 35 36.768 17.459 22.611 1.00 0.00 C ATOM 807 O MET A 35 36.295 18.020 21.615 1.00 0.00 O ATOM 808 CB MET A 35 37.591 19.400 24.007 1.00 0.00 C ATOM 809 CG MET A 35 37.258 20.510 23.023 1.00 0.00 C ATOM 810 SD MET A 35 36.743 22.033 23.837 1.00 0.00 S ATOM 811 CE MET A 35 36.487 23.097 22.420 1.00 0.00 C ATOM 0 H MET A 35 39.085 19.089 21.913 1.00 0.00 H new ATOM 0 HA MET A 35 38.262 17.379 24.152 1.00 0.00 H new ATOM 0 HB2 MET A 35 36.735 19.244 24.663 1.00 0.00 H new ATOM 0 HB3 MET A 35 38.420 19.726 24.636 1.00 0.00 H new ATOM 0 HG2 MET A 35 38.130 20.712 22.402 1.00 0.00 H new ATOM 0 HG3 MET A 35 36.464 20.173 22.357 1.00 0.00 H new ATOM 0 HE1 MET A 35 36.164 24.082 22.758 1.00 0.00 H new ATOM 0 HE2 MET A 35 37.419 23.192 21.863 1.00 0.00 H new ATOM 0 HE3 MET A 35 35.722 22.666 21.775 1.00 0.00 H new ATOM 821 N THR A 36 36.300 16.320 23.077 1.00 0.00 N ATOM 822 CA THR A 36 35.209 15.627 22.424 1.00 0.00 C ATOM 823 C THR A 36 33.920 15.698 23.241 1.00 0.00 C ATOM 824 O THR A 36 33.862 15.226 24.383 1.00 0.00 O ATOM 825 CB THR A 36 35.577 14.153 22.153 1.00 0.00 C ATOM 826 OG1 THR A 36 36.144 13.565 23.336 1.00 0.00 O ATOM 827 CG2 THR A 36 36.574 14.048 21.009 1.00 0.00 C ATOM 0 H THR A 36 36.660 15.853 23.909 1.00 0.00 H new ATOM 0 HA THR A 36 35.035 16.132 21.474 1.00 0.00 H new ATOM 0 HB THR A 36 34.668 13.619 21.877 1.00 0.00 H new ATOM 0 HG1 THR A 36 36.519 12.686 23.117 1.00 0.00 H new ATOM 0 HG21 THR A 36 36.819 13.000 20.835 1.00 0.00 H new ATOM 0 HG22 THR A 36 36.137 14.473 20.105 1.00 0.00 H new ATOM 0 HG23 THR A 36 37.481 14.595 21.265 1.00 0.00 H new ATOM 835 N ASP A 37 32.891 16.290 22.653 1.00 0.00 N ATOM 836 CA ASP A 37 31.597 16.418 23.314 1.00 0.00 C ATOM 837 C ASP A 37 30.915 15.067 23.413 1.00 0.00 C ATOM 838 O ASP A 37 30.496 14.494 22.405 1.00 0.00 O ATOM 839 CB ASP A 37 30.691 17.401 22.561 1.00 0.00 C ATOM 840 CG ASP A 37 31.226 18.813 22.551 1.00 0.00 C ATOM 841 OD1 ASP A 37 30.950 19.570 23.508 1.00 0.00 O ATOM 842 OD2 ASP A 37 31.920 19.182 21.579 1.00 0.00 O ATOM 0 H ASP A 37 32.926 16.691 21.716 1.00 0.00 H new ATOM 0 HA ASP A 37 31.772 16.804 24.318 1.00 0.00 H new ATOM 0 HB2 ASP A 37 30.568 17.058 21.534 1.00 0.00 H new ATOM 0 HB3 ASP A 37 29.702 17.397 23.019 1.00 0.00 H new ATOM 847 N GLY A 38 30.814 14.555 24.622 1.00 0.00 N ATOM 848 CA GLY A 38 30.183 13.273 24.829 1.00 0.00 C ATOM 849 C GLY A 38 31.189 12.187 25.126 1.00 0.00 C ATOM 850 O GLY A 38 30.850 11.005 25.159 1.00 0.00 O ATOM 0 H GLY A 38 31.159 15.005 25.470 1.00 0.00 H new ATOM 0 HA2 GLY A 38 29.475 13.347 25.655 1.00 0.00 H new ATOM 0 HA3 GLY A 38 29.610 13.004 23.941 1.00 0.00 H new ATOM 854 N SER A 39 32.431 12.576 25.332 1.00 0.00 N ATOM 855 CA SER A 39 33.486 11.626 25.636 1.00 0.00 C ATOM 856 C SER A 39 34.532 12.249 26.548 1.00 0.00 C ATOM 857 O SER A 39 34.991 11.623 27.503 1.00 0.00 O ATOM 858 CB SER A 39 34.137 11.120 24.350 1.00 0.00 C ATOM 859 OG SER A 39 33.170 10.541 23.489 1.00 0.00 O ATOM 0 H SER A 39 32.737 13.548 25.294 1.00 0.00 H new ATOM 0 HA SER A 39 33.039 10.780 26.158 1.00 0.00 H new ATOM 0 HB2 SER A 39 34.636 11.945 23.841 1.00 0.00 H new ATOM 0 HB3 SER A 39 34.903 10.383 24.591 1.00 0.00 H new ATOM 0 HG SER A 39 33.392 9.599 23.335 1.00 0.00 H new ATOM 865 N GLY A 40 34.902 13.478 26.257 1.00 0.00 N ATOM 866 CA GLY A 40 35.870 14.159 27.068 1.00 0.00 C ATOM 867 C GLY A 40 37.095 14.554 26.286 1.00 0.00 C ATOM 868 O GLY A 40 37.178 15.669 25.766 1.00 0.00 O ATOM 0 H GLY A 40 34.546 14.018 25.468 1.00 0.00 H new ATOM 0 HA2 GLY A 40 35.415 15.050 27.501 1.00 0.00 H new ATOM 0 HA3 GLY A 40 36.163 13.515 27.897 1.00 0.00 H new ATOM 872 N VAL A 41 38.043 13.643 26.182 1.00 0.00 N ATOM 873 CA VAL A 41 39.287 13.922 25.495 1.00 0.00 C ATOM 874 C VAL A 41 39.477 13.017 24.282 1.00 0.00 C ATOM 875 O VAL A 41 39.260 11.807 24.349 1.00 0.00 O ATOM 876 CB VAL A 41 40.503 13.777 26.443 1.00 0.00 C ATOM 877 CG1 VAL A 41 41.801 14.091 25.713 1.00 0.00 C ATOM 878 CG2 VAL A 41 40.345 14.677 27.663 1.00 0.00 C ATOM 0 H VAL A 41 37.974 12.701 26.566 1.00 0.00 H new ATOM 0 HA VAL A 41 39.227 14.955 25.153 1.00 0.00 H new ATOM 0 HB VAL A 41 40.545 12.742 26.782 1.00 0.00 H new ATOM 0 HG11 VAL A 41 42.640 13.982 26.400 1.00 0.00 H new ATOM 0 HG12 VAL A 41 41.924 13.402 24.877 1.00 0.00 H new ATOM 0 HG13 VAL A 41 41.769 15.114 25.338 1.00 0.00 H new ATOM 0 HG21 VAL A 41 41.210 14.560 28.316 1.00 0.00 H new ATOM 0 HG22 VAL A 41 40.271 15.716 27.342 1.00 0.00 H new ATOM 0 HG23 VAL A 41 39.441 14.400 28.205 1.00 0.00 H new ATOM 888 N GLY A 42 39.863 13.626 23.178 1.00 0.00 N ATOM 889 CA GLY A 42 40.160 12.902 21.971 1.00 0.00 C ATOM 890 C GLY A 42 41.586 13.160 21.547 1.00 0.00 C ATOM 891 O GLY A 42 42.214 14.104 22.027 1.00 0.00 O ATOM 0 H GLY A 42 39.978 14.636 23.099 1.00 0.00 H new ATOM 0 HA2 GLY A 42 40.008 11.835 22.132 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.476 13.206 21.178 1.00 0.00 H new ATOM 895 N VAL A 43 42.103 12.343 20.666 1.00 0.00 N ATOM 896 CA VAL A 43 43.477 12.482 20.223 1.00 0.00 C ATOM 897 C VAL A 43 43.541 12.877 18.750 1.00 0.00 C ATOM 898 O VAL A 43 42.911 12.244 17.903 1.00 0.00 O ATOM 899 CB VAL A 43 44.264 11.164 20.433 1.00 0.00 C ATOM 900 CG1 VAL A 43 45.728 11.340 20.069 1.00 0.00 C ATOM 901 CG2 VAL A 43 44.123 10.675 21.869 1.00 0.00 C ATOM 0 H VAL A 43 41.595 11.570 20.236 1.00 0.00 H new ATOM 0 HA VAL A 43 43.932 13.270 20.823 1.00 0.00 H new ATOM 0 HB VAL A 43 43.839 10.410 19.770 1.00 0.00 H new ATOM 0 HG11 VAL A 43 46.257 10.400 20.226 1.00 0.00 H new ATOM 0 HG12 VAL A 43 45.810 11.633 19.022 1.00 0.00 H new ATOM 0 HG13 VAL A 43 46.169 12.114 20.698 1.00 0.00 H new ATOM 0 HG21 VAL A 43 44.683 9.748 21.995 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.514 11.431 22.551 1.00 0.00 H new ATOM 0 HG23 VAL A 43 43.071 10.496 22.091 1.00 0.00 H new ATOM 911 N ILE A 44 44.292 13.931 18.456 1.00 0.00 N ATOM 912 CA ILE A 44 44.490 14.375 17.087 1.00 0.00 C ATOM 913 C ILE A 44 45.685 13.643 16.494 1.00 0.00 C ATOM 914 O ILE A 44 46.835 13.877 16.888 1.00 0.00 O ATOM 915 CB ILE A 44 44.715 15.913 17.003 1.00 0.00 C ATOM 916 CG1 ILE A 44 43.458 16.666 17.451 1.00 0.00 C ATOM 917 CG2 ILE A 44 45.114 16.333 15.589 1.00 0.00 C ATOM 918 CD1 ILE A 44 42.247 16.414 16.577 1.00 0.00 C ATOM 0 H ILE A 44 44.776 14.496 19.154 1.00 0.00 H new ATOM 0 HA ILE A 44 43.588 14.146 16.520 1.00 0.00 H new ATOM 0 HB ILE A 44 45.533 16.171 17.676 1.00 0.00 H new ATOM 0 HG12 ILE A 44 43.220 16.379 18.475 1.00 0.00 H new ATOM 0 HG13 ILE A 44 43.671 17.735 17.460 1.00 0.00 H new ATOM 0 HG21 ILE A 44 45.265 17.412 15.559 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.039 15.829 15.307 1.00 0.00 H new ATOM 0 HG23 ILE A 44 44.323 16.058 14.891 1.00 0.00 H new ATOM 0 HD11 ILE A 44 41.398 16.982 16.959 1.00 0.00 H new ATOM 0 HD12 ILE A 44 42.464 16.728 15.556 1.00 0.00 H new ATOM 0 HD13 ILE A 44 42.006 15.351 16.587 1.00 0.00 H new ATOM 930 N VAL A 45 45.411 12.737 15.578 1.00 0.00 N ATOM 931 CA VAL A 45 46.451 11.924 14.982 1.00 0.00 C ATOM 932 C VAL A 45 46.675 12.285 13.520 1.00 0.00 C ATOM 933 O VAL A 45 45.726 12.361 12.735 1.00 0.00 O ATOM 934 CB VAL A 45 46.094 10.422 15.069 1.00 0.00 C ATOM 935 CG1 VAL A 45 47.243 9.560 14.573 1.00 0.00 C ATOM 936 CG2 VAL A 45 45.703 10.041 16.489 1.00 0.00 C ATOM 0 H VAL A 45 44.472 12.545 15.229 1.00 0.00 H new ATOM 0 HA VAL A 45 47.364 12.121 15.543 1.00 0.00 H new ATOM 0 HB VAL A 45 45.236 10.241 14.422 1.00 0.00 H new ATOM 0 HG11 VAL A 45 46.966 8.508 14.645 1.00 0.00 H new ATOM 0 HG12 VAL A 45 47.462 9.808 13.534 1.00 0.00 H new ATOM 0 HG13 VAL A 45 48.127 9.745 15.184 1.00 0.00 H new ATOM 0 HG21 VAL A 45 45.456 8.980 16.526 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.536 10.244 17.162 1.00 0.00 H new ATOM 0 HG23 VAL A 45 44.837 10.626 16.797 1.00 0.00 H new ATOM 946 N THR A 46 47.923 12.520 13.163 1.00 0.00 N ATOM 947 CA THR A 46 48.290 12.778 11.791 1.00 0.00 C ATOM 948 C THR A 46 48.798 11.479 11.164 1.00 0.00 C ATOM 949 O THR A 46 49.804 10.919 11.601 1.00 0.00 O ATOM 950 CB THR A 46 49.367 13.876 11.693 1.00 0.00 C ATOM 951 OG1 THR A 46 48.934 15.039 12.423 1.00 0.00 O ATOM 952 CG2 THR A 46 49.608 14.260 10.238 1.00 0.00 C ATOM 0 H THR A 46 48.706 12.537 13.816 1.00 0.00 H new ATOM 0 HA THR A 46 47.412 13.135 11.252 1.00 0.00 H new ATOM 0 HB THR A 46 50.295 13.493 12.117 1.00 0.00 H new ATOM 0 HG1 THR A 46 49.313 15.844 12.011 1.00 0.00 H new ATOM 0 HG21 THR A 46 50.371 15.036 10.188 1.00 0.00 H new ATOM 0 HG22 THR A 46 49.944 13.385 9.682 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.682 14.634 9.802 1.00 0.00 H new ATOM 960 N PHE A 47 48.090 11.002 10.160 1.00 0.00 N ATOM 961 CA PHE A 47 48.387 9.712 9.544 1.00 0.00 C ATOM 962 C PHE A 47 49.331 9.829 8.350 1.00 0.00 C ATOM 963 O PHE A 47 49.756 10.930 7.979 1.00 0.00 O ATOM 964 CB PHE A 47 47.078 9.043 9.132 1.00 0.00 C ATOM 965 CG PHE A 47 46.235 8.658 10.299 1.00 0.00 C ATOM 966 CD1 PHE A 47 45.325 9.549 10.836 1.00 0.00 C ATOM 967 CD2 PHE A 47 46.360 7.404 10.869 1.00 0.00 C ATOM 968 CE1 PHE A 47 44.553 9.195 11.913 1.00 0.00 C ATOM 969 CE2 PHE A 47 45.591 7.044 11.949 1.00 0.00 C ATOM 970 CZ PHE A 47 44.685 7.941 12.472 1.00 0.00 C ATOM 0 H PHE A 47 47.296 11.490 9.746 1.00 0.00 H new ATOM 0 HA PHE A 47 48.905 9.100 10.282 1.00 0.00 H new ATOM 0 HB2 PHE A 47 46.515 9.721 8.490 1.00 0.00 H new ATOM 0 HB3 PHE A 47 47.300 8.155 8.541 1.00 0.00 H new ATOM 0 HD1 PHE A 47 45.221 10.533 10.404 1.00 0.00 H new ATOM 0 HD2 PHE A 47 47.070 6.700 10.461 1.00 0.00 H new ATOM 0 HE1 PHE A 47 43.842 9.897 12.323 1.00 0.00 H new ATOM 0 HE2 PHE A 47 45.696 6.062 12.386 1.00 0.00 H new ATOM 0 HZ PHE A 47 44.078 7.662 13.320 1.00 0.00 H new ATOM 980 N ASP A 48 49.649 8.675 7.752 1.00 0.00 N ATOM 981 CA ASP A 48 50.534 8.606 6.586 1.00 0.00 C ATOM 982 C ASP A 48 49.899 9.308 5.397 1.00 0.00 C ATOM 983 O ASP A 48 50.589 9.880 4.553 1.00 0.00 O ATOM 984 CB ASP A 48 50.849 7.145 6.242 1.00 0.00 C ATOM 985 CG ASP A 48 51.652 6.994 4.959 1.00 0.00 C ATOM 986 OD1 ASP A 48 52.889 7.148 4.999 1.00 0.00 O ATOM 987 OD2 ASP A 48 51.043 6.708 3.907 1.00 0.00 O ATOM 0 H ASP A 48 49.301 7.767 8.062 1.00 0.00 H new ATOM 0 HA ASP A 48 51.468 9.114 6.827 1.00 0.00 H new ATOM 0 HB2 ASP A 48 51.404 6.695 7.066 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.915 6.591 6.146 1.00 0.00 H new ATOM 992 N ASP A 49 48.564 9.288 5.356 1.00 0.00 N ATOM 993 CA ASP A 49 47.800 9.983 4.308 1.00 0.00 C ATOM 994 C ASP A 49 47.903 11.502 4.477 1.00 0.00 C ATOM 995 O ASP A 49 47.277 12.263 3.736 1.00 0.00 O ATOM 996 CB ASP A 49 46.314 9.573 4.346 1.00 0.00 C ATOM 997 CG ASP A 49 46.054 8.173 3.825 1.00 0.00 C ATOM 998 OD1 ASP A 49 46.247 7.941 2.616 1.00 0.00 O ATOM 999 OD2 ASP A 49 45.616 7.305 4.615 1.00 0.00 O ATOM 0 H ASP A 49 47.985 8.797 6.038 1.00 0.00 H new ATOM 0 HA ASP A 49 48.228 9.696 3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 49 45.953 9.642 5.372 1.00 0.00 H new ATOM 0 HB3 ASP A 49 45.735 10.284 3.756 1.00 0.00 H new ATOM 1004 N ARG A 50 48.688 11.926 5.482 1.00 0.00 N ATOM 1005 CA ARG A 50 48.904 13.340 5.811 1.00 0.00 C ATOM 1006 C ARG A 50 47.637 13.974 6.356 1.00 0.00 C ATOM 1007 O ARG A 50 47.555 15.188 6.530 1.00 0.00 O ATOM 1008 CB ARG A 50 49.435 14.127 4.609 1.00 0.00 C ATOM 1009 CG ARG A 50 50.795 13.660 4.116 1.00 0.00 C ATOM 1010 CD ARG A 50 51.365 14.619 3.089 1.00 0.00 C ATOM 1011 NE ARG A 50 51.532 15.963 3.643 1.00 0.00 N ATOM 1012 CZ ARG A 50 52.454 16.842 3.253 1.00 0.00 C ATOM 1013 NH1 ARG A 50 53.327 16.527 2.298 1.00 0.00 N ATOM 1014 NH2 ARG A 50 52.506 18.032 3.830 1.00 0.00 N ATOM 0 H ARG A 50 49.195 11.287 6.094 1.00 0.00 H new ATOM 0 HA ARG A 50 49.665 13.378 6.590 1.00 0.00 H new ATOM 0 HB2 ARG A 50 48.718 14.050 3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 50 49.500 15.181 4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 50 51.481 13.576 4.959 1.00 0.00 H new ATOM 0 HG3 ARG A 50 50.704 12.666 3.678 1.00 0.00 H new ATOM 0 HD2 ARG A 50 52.328 14.247 2.738 1.00 0.00 H new ATOM 0 HD3 ARG A 50 50.704 14.661 2.223 1.00 0.00 H new ATOM 0 HE ARG A 50 50.893 16.249 4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 50 53.293 15.607 1.859 1.00 0.00 H new ATOM 0 HH12 ARG A 50 54.030 17.206 2.005 1.00 0.00 H new ATOM 0 HH21 ARG A 50 51.843 18.271 4.568 1.00 0.00 H new ATOM 0 HH22 ARG A 50 53.209 18.711 3.537 1.00 0.00 H new ATOM 1028 N SER A 51 46.664 13.143 6.644 1.00 0.00 N ATOM 1029 CA SER A 51 45.408 13.595 7.168 1.00 0.00 C ATOM 1030 C SER A 51 45.408 13.521 8.684 1.00 0.00 C ATOM 1031 O SER A 51 45.847 12.522 9.267 1.00 0.00 O ATOM 1032 CB SER A 51 44.282 12.730 6.615 1.00 0.00 C ATOM 1033 OG SER A 51 44.308 12.700 5.199 1.00 0.00 O ATOM 0 H SER A 51 46.726 12.133 6.519 1.00 0.00 H new ATOM 0 HA SER A 51 45.256 14.631 6.867 1.00 0.00 H new ATOM 0 HB2 SER A 51 44.374 11.716 7.005 1.00 0.00 H new ATOM 0 HB3 SER A 51 43.322 13.117 6.956 1.00 0.00 H new ATOM 0 HG SER A 51 43.576 12.137 4.870 1.00 0.00 H new ATOM 1039 N SER A 52 44.933 14.570 9.317 1.00 0.00 N ATOM 1040 CA SER A 52 44.809 14.588 10.749 1.00 0.00 C ATOM 1041 C SER A 52 43.371 14.280 11.125 1.00 0.00 C ATOM 1042 O SER A 52 42.439 14.925 10.641 1.00 0.00 O ATOM 1043 CB SER A 52 45.245 15.947 11.308 1.00 0.00 C ATOM 1044 OG SER A 52 44.588 17.018 10.643 1.00 0.00 O ATOM 0 H SER A 52 44.625 15.426 8.855 1.00 0.00 H new ATOM 0 HA SER A 52 45.461 13.829 11.183 1.00 0.00 H new ATOM 0 HB2 SER A 52 45.026 15.990 12.375 1.00 0.00 H new ATOM 0 HB3 SER A 52 46.324 16.057 11.200 1.00 0.00 H new ATOM 0 HG SER A 52 43.646 16.787 10.502 1.00 0.00 H new ATOM 1050 N THR A 53 43.187 13.288 11.952 1.00 0.00 N ATOM 1051 CA THR A 53 41.863 12.871 12.346 1.00 0.00 C ATOM 1052 C THR A 53 41.826 12.580 13.841 1.00 0.00 C ATOM 1053 O THR A 53 42.814 12.109 14.414 1.00 0.00 O ATOM 1054 CB THR A 53 41.438 11.621 11.541 1.00 0.00 C ATOM 1055 OG1 THR A 53 41.626 11.883 10.139 1.00 0.00 O ATOM 1056 CG2 THR A 53 39.975 11.269 11.789 1.00 0.00 C ATOM 0 H THR A 53 43.943 12.747 12.371 1.00 0.00 H new ATOM 0 HA THR A 53 41.161 13.677 12.133 1.00 0.00 H new ATOM 0 HB THR A 53 42.051 10.780 11.864 1.00 0.00 H new ATOM 0 HG1 THR A 53 41.360 11.095 9.620 1.00 0.00 H new ATOM 0 HG21 THR A 53 39.710 10.386 11.208 1.00 0.00 H new ATOM 0 HG22 THR A 53 39.825 11.065 12.849 1.00 0.00 H new ATOM 0 HG23 THR A 53 39.344 12.105 11.488 1.00 0.00 H new ATOM 1064 N TRP A 54 40.708 12.887 14.468 1.00 0.00 N ATOM 1065 CA TRP A 54 40.558 12.682 15.892 1.00 0.00 C ATOM 1066 C TRP A 54 40.024 11.289 16.195 1.00 0.00 C ATOM 1067 O TRP A 54 39.073 10.820 15.568 1.00 0.00 O ATOM 1068 CB TRP A 54 39.643 13.758 16.508 1.00 0.00 C ATOM 1069 CG TRP A 54 38.253 13.790 15.933 1.00 0.00 C ATOM 1070 CD1 TRP A 54 37.863 14.369 14.761 1.00 0.00 C ATOM 1071 CD2 TRP A 54 37.071 13.224 16.513 1.00 0.00 C ATOM 1072 NE1 TRP A 54 36.516 14.194 14.575 1.00 0.00 N ATOM 1073 CE2 TRP A 54 36.006 13.493 15.636 1.00 0.00 C ATOM 1074 CE3 TRP A 54 36.811 12.512 17.689 1.00 0.00 C ATOM 1075 CZ2 TRP A 54 34.703 13.079 15.894 1.00 0.00 C ATOM 1076 CZ3 TRP A 54 35.518 12.100 17.944 1.00 0.00 C ATOM 1077 CH2 TRP A 54 34.479 12.383 17.051 1.00 0.00 C ATOM 0 H TRP A 54 39.887 13.281 14.009 1.00 0.00 H new ATOM 0 HA TRP A 54 41.546 12.770 16.345 1.00 0.00 H new ATOM 0 HB2 TRP A 54 39.575 13.589 17.583 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.105 14.735 16.367 1.00 0.00 H new ATOM 0 HD1 TRP A 54 38.519 14.889 14.079 1.00 0.00 H new ATOM 0 HE1 TRP A 54 35.980 14.531 13.776 1.00 0.00 H new ATOM 0 HE3 TRP A 54 37.607 12.289 18.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 33.899 13.299 15.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 35.305 11.550 18.849 1.00 0.00 H new ATOM 0 HH2 TRP A 54 33.479 12.045 17.279 1.00 0.00 H new ATOM 1088 N PHE A 55 40.662 10.636 17.136 1.00 0.00 N ATOM 1089 CA PHE A 55 40.248 9.325 17.594 1.00 0.00 C ATOM 1090 C PHE A 55 40.250 9.302 19.108 1.00 0.00 C ATOM 1091 O PHE A 55 40.765 10.223 19.743 1.00 0.00 O ATOM 1092 CB PHE A 55 41.160 8.230 17.026 1.00 0.00 C ATOM 1093 CG PHE A 55 40.915 7.950 15.569 1.00 0.00 C ATOM 1094 CD1 PHE A 55 39.908 7.082 15.182 1.00 0.00 C ATOM 1095 CD2 PHE A 55 41.679 8.559 14.590 1.00 0.00 C ATOM 1096 CE1 PHE A 55 39.669 6.825 13.848 1.00 0.00 C ATOM 1097 CE2 PHE A 55 41.443 8.305 13.253 1.00 0.00 C ATOM 1098 CZ PHE A 55 40.436 7.438 12.883 1.00 0.00 C ATOM 0 H PHE A 55 41.489 10.999 17.611 1.00 0.00 H new ATOM 0 HA PHE A 55 39.239 9.124 17.235 1.00 0.00 H new ATOM 0 HB2 PHE A 55 42.200 8.526 17.162 1.00 0.00 H new ATOM 0 HB3 PHE A 55 41.013 7.312 17.595 1.00 0.00 H new ATOM 0 HD1 PHE A 55 39.302 6.600 15.935 1.00 0.00 H new ATOM 0 HD2 PHE A 55 42.468 9.240 14.874 1.00 0.00 H new ATOM 0 HE1 PHE A 55 38.881 6.144 13.561 1.00 0.00 H new ATOM 0 HE2 PHE A 55 42.047 8.785 12.497 1.00 0.00 H new ATOM 0 HZ PHE A 55 40.250 7.240 11.838 1.00 0.00 H new ATOM 1108 N PHE A 56 39.674 8.280 19.690 1.00 0.00 N ATOM 1109 CA PHE A 56 39.585 8.206 21.135 1.00 0.00 C ATOM 1110 C PHE A 56 40.856 7.638 21.759 1.00 0.00 C ATOM 1111 O PHE A 56 41.650 6.967 21.095 1.00 0.00 O ATOM 1112 CB PHE A 56 38.350 7.423 21.568 1.00 0.00 C ATOM 1113 CG PHE A 56 37.067 8.057 21.106 1.00 0.00 C ATOM 1114 CD1 PHE A 56 36.486 9.083 21.831 1.00 0.00 C ATOM 1115 CD2 PHE A 56 36.450 7.638 19.939 1.00 0.00 C ATOM 1116 CE1 PHE A 56 35.315 9.675 21.403 1.00 0.00 C ATOM 1117 CE2 PHE A 56 35.279 8.227 19.505 1.00 0.00 C ATOM 1118 CZ PHE A 56 34.711 9.247 20.238 1.00 0.00 C ATOM 0 H PHE A 56 39.261 7.491 19.194 1.00 0.00 H new ATOM 0 HA PHE A 56 39.482 9.226 21.506 1.00 0.00 H new ATOM 0 HB2 PHE A 56 38.412 6.409 21.173 1.00 0.00 H new ATOM 0 HB3 PHE A 56 38.339 7.342 22.655 1.00 0.00 H new ATOM 0 HD1 PHE A 56 36.954 9.424 22.742 1.00 0.00 H new ATOM 0 HD2 PHE A 56 36.891 6.840 19.361 1.00 0.00 H new ATOM 0 HE1 PHE A 56 34.871 10.473 21.980 1.00 0.00 H new ATOM 0 HE2 PHE A 56 34.809 7.889 18.593 1.00 0.00 H new ATOM 0 HZ PHE A 56 33.795 9.710 19.901 1.00 0.00 H new ATOM 1128 N GLU A 57 41.024 7.904 23.042 1.00 0.00 N ATOM 1129 CA GLU A 57 42.223 7.528 23.781 1.00 0.00 C ATOM 1130 C GLU A 57 42.444 6.008 23.849 1.00 0.00 C ATOM 1131 O GLU A 57 43.543 5.529 23.576 1.00 0.00 O ATOM 1132 CB GLU A 57 42.227 8.173 25.190 1.00 0.00 C ATOM 1133 CG GLU A 57 40.841 8.584 25.715 1.00 0.00 C ATOM 1134 CD GLU A 57 39.969 7.402 26.091 1.00 0.00 C ATOM 1135 OE1 GLU A 57 39.337 6.817 25.190 1.00 0.00 O ATOM 1136 OE2 GLU A 57 39.908 7.057 27.292 1.00 0.00 O ATOM 0 H GLU A 57 40.329 8.391 23.608 1.00 0.00 H new ATOM 0 HA GLU A 57 43.071 7.922 23.221 1.00 0.00 H new ATOM 0 HB2 GLU A 57 42.673 7.471 25.894 1.00 0.00 H new ATOM 0 HB3 GLU A 57 42.868 9.054 25.169 1.00 0.00 H new ATOM 0 HG2 GLU A 57 40.966 9.227 26.587 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.332 9.175 24.954 1.00 0.00 H new ATOM 1143 N ASP A 58 41.409 5.255 24.194 1.00 0.00 N ATOM 1144 CA ASP A 58 41.540 3.793 24.286 1.00 0.00 C ATOM 1145 C ASP A 58 41.246 3.137 22.936 1.00 0.00 C ATOM 1146 O ASP A 58 41.308 1.912 22.791 1.00 0.00 O ATOM 1147 CB ASP A 58 40.612 3.217 25.374 1.00 0.00 C ATOM 1148 CG ASP A 58 39.227 2.850 24.864 1.00 0.00 C ATOM 1149 OD1 ASP A 58 38.398 3.761 24.656 1.00 0.00 O ATOM 1150 OD2 ASP A 58 38.956 1.640 24.686 1.00 0.00 O ATOM 0 H ASP A 58 40.481 5.617 24.413 1.00 0.00 H new ATOM 0 HA ASP A 58 42.570 3.570 24.565 1.00 0.00 H new ATOM 0 HB2 ASP A 58 41.078 2.330 25.804 1.00 0.00 H new ATOM 0 HB3 ASP A 58 40.512 3.947 26.178 1.00 0.00 H new ATOM 1155 N GLU A 59 40.955 3.961 21.952 1.00 0.00 N ATOM 1156 CA GLU A 59 40.632 3.491 20.616 1.00 0.00 C ATOM 1157 C GLU A 59 41.908 3.246 19.802 1.00 0.00 C ATOM 1158 O GLU A 59 41.922 2.448 18.850 1.00 0.00 O ATOM 1159 CB GLU A 59 39.714 4.516 19.948 1.00 0.00 C ATOM 1160 CG GLU A 59 39.430 4.293 18.489 1.00 0.00 C ATOM 1161 CD GLU A 59 38.367 5.237 17.985 1.00 0.00 C ATOM 1162 OE1 GLU A 59 38.618 6.452 17.967 1.00 0.00 O ATOM 1163 OE2 GLU A 59 37.267 4.769 17.624 1.00 0.00 O ATOM 0 H GLU A 59 40.935 4.976 22.053 1.00 0.00 H new ATOM 0 HA GLU A 59 40.111 2.535 20.671 1.00 0.00 H new ATOM 0 HB2 GLU A 59 38.765 4.529 20.485 1.00 0.00 H new ATOM 0 HB3 GLU A 59 40.160 5.504 20.064 1.00 0.00 H new ATOM 0 HG2 GLU A 59 40.345 4.432 17.913 1.00 0.00 H new ATOM 0 HG3 GLU A 59 39.108 3.263 18.333 1.00 0.00 H new ATOM 1170 N VAL A 60 42.982 3.896 20.203 1.00 0.00 N ATOM 1171 CA VAL A 60 44.260 3.739 19.534 1.00 0.00 C ATOM 1172 C VAL A 60 45.286 3.118 20.482 1.00 0.00 C ATOM 1173 O VAL A 60 45.047 3.024 21.693 1.00 0.00 O ATOM 1174 CB VAL A 60 44.793 5.092 18.999 1.00 0.00 C ATOM 1175 CG1 VAL A 60 43.846 5.664 17.952 1.00 0.00 C ATOM 1176 CG2 VAL A 60 44.990 6.084 20.138 1.00 0.00 C ATOM 0 H VAL A 60 42.996 4.541 20.993 1.00 0.00 H new ATOM 0 HA VAL A 60 44.105 3.075 18.684 1.00 0.00 H new ATOM 0 HB VAL A 60 45.761 4.914 18.530 1.00 0.00 H new ATOM 0 HG11 VAL A 60 44.237 6.614 17.588 1.00 0.00 H new ATOM 0 HG12 VAL A 60 43.758 4.965 17.120 1.00 0.00 H new ATOM 0 HG13 VAL A 60 42.864 5.823 18.398 1.00 0.00 H new ATOM 0 HG21 VAL A 60 45.365 7.027 19.739 1.00 0.00 H new ATOM 0 HG22 VAL A 60 44.038 6.255 20.640 1.00 0.00 H new ATOM 0 HG23 VAL A 60 45.709 5.681 20.851 1.00 0.00 H new ATOM 1186 N GLU A 61 46.408 2.680 19.940 1.00 0.00 N ATOM 1187 CA GLU A 61 47.466 2.088 20.747 1.00 0.00 C ATOM 1188 C GLU A 61 48.740 2.921 20.654 1.00 0.00 C ATOM 1189 O GLU A 61 49.026 3.507 19.610 1.00 0.00 O ATOM 1190 CB GLU A 61 47.735 0.643 20.313 1.00 0.00 C ATOM 1191 CG GLU A 61 48.206 0.502 18.876 1.00 0.00 C ATOM 1192 CD GLU A 61 48.422 -0.938 18.482 1.00 0.00 C ATOM 1193 OE1 GLU A 61 49.522 -1.467 18.733 1.00 0.00 O ATOM 1194 OE2 GLU A 61 47.497 -1.545 17.917 1.00 0.00 O ATOM 0 H GLU A 61 46.613 2.722 18.942 1.00 0.00 H new ATOM 0 HA GLU A 61 47.137 2.077 21.786 1.00 0.00 H new ATOM 0 HB2 GLU A 61 48.486 0.211 20.974 1.00 0.00 H new ATOM 0 HB3 GLU A 61 46.823 0.061 20.443 1.00 0.00 H new ATOM 0 HG2 GLU A 61 47.470 0.952 18.209 1.00 0.00 H new ATOM 0 HG3 GLU A 61 49.136 1.055 18.745 1.00 0.00 H new ATOM 1201 N VAL A 62 49.494 2.970 21.745 1.00 0.00 N ATOM 1202 CA VAL A 62 50.724 3.756 21.800 1.00 0.00 C ATOM 1203 C VAL A 62 51.898 2.974 21.216 1.00 0.00 C ATOM 1204 O VAL A 62 52.191 1.855 21.648 1.00 0.00 O ATOM 1205 CB VAL A 62 51.063 4.180 23.248 1.00 0.00 C ATOM 1206 CG1 VAL A 62 52.286 5.088 23.278 1.00 0.00 C ATOM 1207 CG2 VAL A 62 49.870 4.866 23.897 1.00 0.00 C ATOM 0 H VAL A 62 49.275 2.473 22.608 1.00 0.00 H new ATOM 0 HA VAL A 62 50.555 4.653 21.204 1.00 0.00 H new ATOM 0 HB VAL A 62 51.296 3.281 23.818 1.00 0.00 H new ATOM 0 HG11 VAL A 62 52.503 5.372 24.308 1.00 0.00 H new ATOM 0 HG12 VAL A 62 53.142 4.559 22.859 1.00 0.00 H new ATOM 0 HG13 VAL A 62 52.089 5.983 22.689 1.00 0.00 H new ATOM 0 HG21 VAL A 62 50.127 5.157 24.915 1.00 0.00 H new ATOM 0 HG22 VAL A 62 49.603 5.753 23.322 1.00 0.00 H new ATOM 0 HG23 VAL A 62 49.023 4.180 23.919 1.00 0.00 H new ATOM 1217 N VAL A 63 52.565 3.567 20.248 1.00 0.00 N ATOM 1218 CA VAL A 63 53.682 2.936 19.573 1.00 0.00 C ATOM 1219 C VAL A 63 54.873 3.893 19.551 1.00 0.00 C ATOM 1220 O VAL A 63 54.697 5.114 19.501 1.00 0.00 O ATOM 1221 CB VAL A 63 53.305 2.553 18.108 1.00 0.00 C ATOM 1222 CG1 VAL A 63 54.410 1.739 17.452 1.00 0.00 C ATOM 1223 CG2 VAL A 63 51.984 1.794 18.065 1.00 0.00 C ATOM 0 H VAL A 63 52.348 4.503 19.905 1.00 0.00 H new ATOM 0 HA VAL A 63 53.941 2.027 20.116 1.00 0.00 H new ATOM 0 HB VAL A 63 53.186 3.479 17.545 1.00 0.00 H new ATOM 0 HG11 VAL A 63 54.119 1.487 16.432 1.00 0.00 H new ATOM 0 HG12 VAL A 63 55.330 2.323 17.433 1.00 0.00 H new ATOM 0 HG13 VAL A 63 54.573 0.823 18.020 1.00 0.00 H new ATOM 0 HG21 VAL A 63 51.744 1.539 17.033 1.00 0.00 H new ATOM 0 HG22 VAL A 63 52.070 0.881 18.654 1.00 0.00 H new ATOM 0 HG23 VAL A 63 51.192 2.419 18.478 1.00 0.00 H new ATOM 1233 N GLY A 64 56.070 3.350 19.606 1.00 0.00 N ATOM 1234 CA GLY A 64 57.244 4.177 19.570 1.00 0.00 C ATOM 1235 C GLY A 64 58.332 3.556 18.740 1.00 0.00 C ATOM 1236 O GLY A 64 58.408 2.311 18.703 1.00 0.00 O ATOM 1237 OXT GLY A 64 59.102 4.302 18.101 1.00 0.00 O ATOM 0 H GLY A 64 56.249 2.348 19.675 1.00 0.00 H new ATOM 0 HA2 GLY A 64 56.988 5.155 19.163 1.00 0.00 H new ATOM 0 HA3 GLY A 64 57.607 4.339 20.585 1.00 0.00 H new