USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 588 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 Single : A 22 HIS : no HD1:sc= -0.0237 X(o=-0.024,f=0) USER MOD Single : A 24 GLN : amide:sc= -2.33! K(o=-2.3!,f=-0.9) USER MOD Single : A 26 LYS NZ :NH3+ -132:sc= 0.326 (180deg=-2.89!) USER MOD Single : A 29 SER OG : rot 140:sc= -1.2 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -124:sc= -1.33! (180deg=-3.4!) USER MOD Single : A 43 THR OG1 : rot -65:sc= -0.569! USER MOD Single : A 44 LYS NZ :NH3+ 150:sc= 1.27 (180deg=1.05) USER MOD Single : A 47 LYS NZ :NH3+ -124:sc= -0.185 (180deg=-1.09!) USER MOD Single : A 49 MET CE :methyl -122:sc= -1.67 (180deg=-3.01!) USER MOD Single : A 52 TYR OH : rot -98:sc= 0.274 USER MOD Single : A 53 CYS SG : rot 171:sc= -1.78 USER MOD Single : A 54 ASN : amide:sc= -0.463 K(o=-0.46,f=-3.2!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 59 SER OG : rot 180:sc= -1.11 USER MOD Single : A 60 MET CE :methyl 177:sc= -1.36 (180deg=-1.41) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.413 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.84) USER MOD Single : A 77 THR OG1 : rot 29:sc= 0.245 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 92 MET CE :methyl 159:sc= -0.0923 (180deg=-0.946) USER MOD Single : A 94 GLN : amide:sc= 0.0124 X(o=0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 268 N HIS A 22 38.043 5.080 -14.063 1.00 3.23 N ATOM 269 CA HIS A 22 37.718 6.329 -14.730 1.00 12.43 C ATOM 270 C HIS A 22 38.868 6.763 -15.629 1.00 51.25 C ATOM 271 O HIS A 22 39.924 6.130 -15.640 1.00 12.05 O ATOM 272 CB HIS A 22 37.376 7.414 -13.707 1.00 71.14 C ATOM 273 CG HIS A 22 36.066 7.175 -13.025 1.00 44.35 C ATOM 274 ND1 HIS A 22 35.908 7.190 -11.659 1.00 50.21 N ATOM 275 CD2 HIS A 22 34.847 6.896 -13.539 1.00 44.15 C ATOM 276 CE1 HIS A 22 34.649 6.927 -11.364 1.00 41.13 C ATOM 277 NE2 HIS A 22 33.980 6.745 -12.487 1.00 12.14 N ATOM 0 HA HIS A 22 36.839 6.173 -15.355 1.00 12.43 H new ATOM 0 HB2 HIS A 22 38.167 7.463 -12.958 1.00 71.14 H new ATOM 0 HB3 HIS A 22 37.349 8.382 -14.206 1.00 71.14 H new ATOM 0 HD2 HIS A 22 34.601 6.808 -14.587 1.00 44.15 H new ATOM 0 HE1 HIS A 22 34.235 6.870 -10.368 1.00 41.13 H new ATOM 0 HE2 HIS A 22 32.986 6.529 -12.560 1.00 12.14 H new ATOM 286 N ILE A 23 38.679 7.858 -16.346 1.00 0.22 N ATOM 287 CA ILE A 23 39.602 8.238 -17.405 1.00 11.25 C ATOM 288 C ILE A 23 40.419 9.464 -16.999 1.00 22.25 C ATOM 289 O ILE A 23 40.041 10.204 -16.098 1.00 42.51 O ATOM 290 CB ILE A 23 38.831 8.525 -18.721 1.00 3.34 C ATOM 291 CG1 ILE A 23 37.846 7.388 -19.015 1.00 25.13 C ATOM 292 CG2 ILE A 23 39.790 8.702 -19.893 1.00 32.34 C ATOM 293 CD1 ILE A 23 36.961 7.639 -20.219 1.00 44.31 C ATOM 0 H ILE A 23 37.897 8.499 -16.215 1.00 0.22 H new ATOM 0 HA ILE A 23 40.286 7.406 -17.572 1.00 11.25 H new ATOM 0 HB ILE A 23 38.277 9.455 -18.592 1.00 3.34 H new ATOM 0 HG12 ILE A 23 38.407 6.467 -19.174 1.00 25.13 H new ATOM 0 HG13 ILE A 23 37.216 7.231 -18.140 1.00 25.13 H new ATOM 0 HG21 ILE A 23 39.222 8.902 -20.801 1.00 32.34 H new ATOM 0 HG22 ILE A 23 40.459 9.539 -19.692 1.00 32.34 H new ATOM 0 HG23 ILE A 23 40.376 7.792 -20.024 1.00 32.34 H new ATOM 0 HD11 ILE A 23 36.292 6.790 -20.362 1.00 44.31 H new ATOM 0 HD12 ILE A 23 36.372 8.542 -20.056 1.00 44.31 H new ATOM 0 HD13 ILE A 23 37.581 7.766 -21.106 1.00 44.31 H new ATOM 305 N GLN A 24 41.549 9.644 -17.663 1.00 71.43 N ATOM 306 CA GLN A 24 42.488 10.724 -17.394 1.00 11.44 C ATOM 307 C GLN A 24 43.140 11.162 -18.704 1.00 52.41 C ATOM 308 O GLN A 24 43.692 10.337 -19.432 1.00 4.25 O ATOM 309 CB GLN A 24 43.592 10.295 -16.407 1.00 34.22 C ATOM 310 CG GLN A 24 43.132 10.078 -14.968 1.00 45.54 C ATOM 311 CD GLN A 24 42.473 8.727 -14.735 1.00 43.44 C ATOM 312 OE1 GLN A 24 41.590 8.596 -13.888 1.00 20.15 O ATOM 313 NE2 GLN A 24 42.908 7.710 -15.463 1.00 11.15 N ATOM 0 H GLN A 24 41.847 9.030 -18.421 1.00 71.43 H new ATOM 0 HA GLN A 24 41.930 11.545 -16.944 1.00 11.44 H new ATOM 0 HB2 GLN A 24 44.042 9.371 -16.770 1.00 34.22 H new ATOM 0 HB3 GLN A 24 44.374 11.054 -16.410 1.00 34.22 H new ATOM 0 HG2 GLN A 24 43.990 10.173 -14.303 1.00 45.54 H new ATOM 0 HG3 GLN A 24 42.430 10.867 -14.697 1.00 45.54 H new ATOM 0 HE21 GLN A 24 43.642 7.856 -16.156 1.00 11.15 H new ATOM 0 HE22 GLN A 24 42.509 6.781 -15.331 1.00 11.15 H new ATOM 322 N VAL A 25 43.069 12.449 -19.002 1.00 72.33 N ATOM 323 CA VAL A 25 43.669 13.002 -20.213 1.00 2.21 C ATOM 324 C VAL A 25 44.326 14.341 -19.897 1.00 52.41 C ATOM 325 O VAL A 25 43.834 15.092 -19.064 1.00 50.52 O ATOM 326 CB VAL A 25 42.636 13.191 -21.352 1.00 44.32 C ATOM 327 CG1 VAL A 25 42.170 11.846 -21.894 1.00 41.00 C ATOM 328 CG2 VAL A 25 41.446 14.022 -20.883 1.00 73.23 C ATOM 0 H VAL A 25 42.598 13.139 -18.417 1.00 72.33 H new ATOM 0 HA VAL A 25 44.414 12.286 -20.560 1.00 2.21 H new ATOM 0 HB VAL A 25 43.129 13.732 -22.160 1.00 44.32 H new ATOM 0 HG11 VAL A 25 41.445 12.007 -22.692 1.00 41.00 H new ATOM 0 HG12 VAL A 25 43.025 11.295 -22.286 1.00 41.00 H new ATOM 0 HG13 VAL A 25 41.705 11.272 -21.092 1.00 41.00 H new ATOM 0 HG21 VAL A 25 40.738 14.138 -21.703 1.00 73.23 H new ATOM 0 HG22 VAL A 25 40.957 13.518 -20.049 1.00 73.23 H new ATOM 0 HG23 VAL A 25 41.792 15.004 -20.561 1.00 73.23 H new ATOM 338 N LYS A 26 45.437 14.637 -20.546 1.00 74.44 N ATOM 339 CA LYS A 26 46.168 15.867 -20.263 1.00 34.43 C ATOM 340 C LYS A 26 45.974 16.887 -21.363 1.00 4.33 C ATOM 341 O LYS A 26 46.389 16.679 -22.495 1.00 44.10 O ATOM 342 CB LYS A 26 47.651 15.573 -20.067 1.00 54.54 C ATOM 343 CG LYS A 26 48.130 15.904 -18.667 1.00 22.30 C ATOM 344 CD LYS A 26 49.198 14.922 -18.180 1.00 20.41 C ATOM 345 CE LYS A 26 50.367 14.770 -19.144 1.00 55.05 C ATOM 346 NZ LYS A 26 51.250 15.963 -19.153 1.00 31.31 N1+ ATOM 0 H LYS A 26 45.854 14.050 -21.268 1.00 74.44 H new ATOM 0 HA LYS A 26 45.768 16.288 -19.340 1.00 34.43 H new ATOM 0 HB2 LYS A 26 47.839 14.519 -20.272 1.00 54.54 H new ATOM 0 HB3 LYS A 26 48.230 16.147 -20.791 1.00 54.54 H new ATOM 0 HG2 LYS A 26 48.534 16.916 -18.652 1.00 22.30 H new ATOM 0 HG3 LYS A 26 47.283 15.889 -17.981 1.00 22.30 H new ATOM 0 HD2 LYS A 26 49.575 15.257 -17.214 1.00 20.41 H new ATOM 0 HD3 LYS A 26 48.738 13.946 -18.022 1.00 20.41 H new ATOM 0 HE2 LYS A 26 50.950 13.891 -18.868 1.00 55.05 H new ATOM 0 HE3 LYS A 26 49.985 14.596 -20.150 1.00 55.05 H new ATOM 0 HZ1 LYS A 26 51.439 16.247 -20.135 1.00 31.31 H new ATOM 0 HZ2 LYS A 26 50.783 16.744 -18.650 1.00 31.31 H new ATOM 0 HZ3 LYS A 26 52.147 15.734 -18.680 1.00 31.31 H new ATOM 360 N VAL A 27 45.353 18.000 -21.023 1.00 15.45 N ATOM 361 CA VAL A 27 45.102 19.038 -21.977 1.00 72.53 C ATOM 362 C VAL A 27 46.151 20.103 -21.790 1.00 72.32 C ATOM 363 O VAL A 27 46.096 20.881 -20.835 1.00 14.32 O ATOM 364 CB VAL A 27 43.693 19.651 -21.815 1.00 61.10 C ATOM 365 CG1 VAL A 27 43.431 20.693 -22.892 1.00 55.43 C ATOM 366 CG2 VAL A 27 42.629 18.565 -21.846 1.00 73.33 C ATOM 0 H VAL A 27 45.014 18.200 -20.082 1.00 15.45 H new ATOM 0 HA VAL A 27 45.147 18.614 -22.980 1.00 72.53 H new ATOM 0 HB VAL A 27 43.646 20.147 -20.845 1.00 61.10 H new ATOM 0 HG11 VAL A 27 42.433 21.111 -22.759 1.00 55.43 H new ATOM 0 HG12 VAL A 27 44.171 21.489 -22.816 1.00 55.43 H new ATOM 0 HG13 VAL A 27 43.500 20.226 -23.875 1.00 55.43 H new ATOM 0 HG21 VAL A 27 41.644 19.017 -21.730 1.00 73.33 H new ATOM 0 HG22 VAL A 27 42.676 18.037 -22.798 1.00 73.33 H new ATOM 0 HG23 VAL A 27 42.803 17.862 -21.032 1.00 73.33 H new ATOM 376 N ARG A 28 47.133 20.101 -22.667 1.00 64.53 N ATOM 377 CA ARG A 28 48.151 21.114 -22.636 1.00 65.22 C ATOM 378 C ARG A 28 47.529 22.402 -23.060 1.00 63.41 C ATOM 379 O ARG A 28 47.115 22.556 -24.213 1.00 71.22 O ATOM 380 CB ARG A 28 49.309 20.789 -23.569 1.00 24.25 C ATOM 381 CG ARG A 28 50.303 21.928 -23.708 1.00 22.13 C ATOM 382 CD ARG A 28 51.340 21.615 -24.762 1.00 44.34 C ATOM 383 NE ARG A 28 51.046 22.287 -26.020 1.00 65.10 N ATOM 384 CZ ARG A 28 51.959 22.900 -26.765 1.00 45.54 C ATOM 385 NH1 ARG A 28 53.240 22.863 -26.413 1.00 33.24 N1+ ATOM 386 NH2 ARG A 28 51.588 23.538 -27.866 1.00 23.30 N ATOM 0 H ARG A 28 47.242 19.407 -23.407 1.00 64.53 H new ATOM 0 HA ARG A 28 48.553 21.175 -21.625 1.00 65.22 H new ATOM 0 HB2 ARG A 28 49.828 19.905 -23.199 1.00 24.25 H new ATOM 0 HB3 ARG A 28 48.914 20.538 -24.553 1.00 24.25 H new ATOM 0 HG2 ARG A 28 49.776 22.845 -23.972 1.00 22.13 H new ATOM 0 HG3 ARG A 28 50.794 22.106 -22.751 1.00 22.13 H new ATOM 0 HD2 ARG A 28 52.324 21.921 -24.407 1.00 44.34 H new ATOM 0 HD3 ARG A 28 51.380 20.538 -24.925 1.00 44.34 H new ATOM 0 HE ARG A 28 50.081 22.287 -26.349 1.00 65.10 H new ATOM 0 HH11 ARG A 28 53.523 22.363 -25.570 1.00 33.24 H new ATOM 0 HH12 ARG A 28 53.940 23.334 -26.986 1.00 33.24 H new ATOM 0 HH21 ARG A 28 50.605 23.557 -28.138 1.00 23.30 H new ATOM 0 HH22 ARG A 28 52.285 24.010 -28.441 1.00 23.30 H new ATOM 400 N SER A 29 47.415 23.307 -22.126 1.00 62.33 N ATOM 401 CA SER A 29 46.845 24.586 -22.441 1.00 61.53 C ATOM 402 C SER A 29 47.736 25.285 -23.482 1.00 72.53 C ATOM 403 O SER A 29 48.882 24.871 -23.681 1.00 31.23 O ATOM 404 CB SER A 29 46.699 25.433 -21.173 1.00 54.21 C ATOM 405 OG SER A 29 47.965 25.784 -20.644 1.00 31.13 O ATOM 0 H SER A 29 47.705 23.185 -21.156 1.00 62.33 H new ATOM 0 HA SER A 29 45.848 24.454 -22.860 1.00 61.53 H new ATOM 0 HB2 SER A 29 46.133 26.337 -21.399 1.00 54.21 H new ATOM 0 HB3 SER A 29 46.130 24.879 -20.426 1.00 54.21 H new ATOM 0 HG SER A 29 47.942 26.711 -20.327 1.00 31.13 H new ATOM 411 N PRO A 30 47.256 26.359 -24.142 1.00 15.42 N ATOM 412 CA PRO A 30 47.996 27.017 -25.241 1.00 23.11 C ATOM 413 C PRO A 30 49.290 27.704 -24.794 1.00 5.11 C ATOM 414 O PRO A 30 49.820 28.564 -25.496 1.00 72.52 O ATOM 415 CB PRO A 30 47.004 28.063 -25.757 1.00 45.42 C ATOM 416 CG PRO A 30 46.102 28.332 -24.605 1.00 63.25 C ATOM 417 CD PRO A 30 45.965 27.024 -23.881 1.00 61.25 C ATOM 0 HA PRO A 30 48.319 26.287 -25.983 1.00 23.11 H new ATOM 0 HB2 PRO A 30 47.517 28.970 -26.078 1.00 45.42 H new ATOM 0 HB3 PRO A 30 46.447 27.690 -26.617 1.00 45.42 H new ATOM 0 HG2 PRO A 30 46.519 29.099 -23.952 1.00 63.25 H new ATOM 0 HG3 PRO A 30 45.132 28.695 -24.944 1.00 63.25 H new ATOM 0 HD2 PRO A 30 45.795 27.170 -22.814 1.00 61.25 H new ATOM 0 HD3 PRO A 30 45.127 26.439 -24.260 1.00 61.25 H new ATOM 425 N ASP A 31 49.806 27.306 -23.643 1.00 62.14 N ATOM 426 CA ASP A 31 50.982 27.943 -23.077 1.00 43.34 C ATOM 427 C ASP A 31 52.012 26.903 -22.652 1.00 13.04 C ATOM 428 O ASP A 31 53.164 27.227 -22.364 1.00 21.24 O ATOM 429 CB ASP A 31 50.578 28.824 -21.889 1.00 0.44 C ATOM 430 CG ASP A 31 51.749 29.568 -21.282 1.00 63.12 C ATOM 431 OD1 ASP A 31 52.157 29.227 -20.154 1.00 44.23 O ATOM 432 OD2 ASP A 31 52.269 30.498 -21.927 1.00 12.51 O1- ATOM 0 H ASP A 31 49.428 26.543 -23.082 1.00 62.14 H new ATOM 0 HA ASP A 31 51.439 28.572 -23.841 1.00 43.34 H new ATOM 0 HB2 ASP A 31 49.827 29.543 -22.215 1.00 0.44 H new ATOM 0 HB3 ASP A 31 50.113 28.202 -21.124 1.00 0.44 H new ATOM 437 N GLY A 32 51.599 25.646 -22.630 1.00 1.23 N ATOM 438 CA GLY A 32 52.496 24.593 -22.208 1.00 64.22 C ATOM 439 C GLY A 32 52.177 24.103 -20.814 1.00 54.14 C ATOM 440 O GLY A 32 52.845 23.210 -20.295 1.00 43.15 O ATOM 0 H GLY A 32 50.664 25.337 -22.895 1.00 1.23 H new ATOM 0 HA2 GLY A 32 52.433 23.760 -22.908 1.00 64.22 H new ATOM 0 HA3 GLY A 32 53.523 24.958 -22.238 1.00 64.22 H new ATOM 444 N ALA A 33 51.158 24.692 -20.200 1.00 1.31 N ATOM 445 CA ALA A 33 50.707 24.255 -18.890 1.00 44.21 C ATOM 446 C ALA A 33 49.833 23.020 -19.044 1.00 14.20 C ATOM 447 O ALA A 33 48.651 23.114 -19.372 1.00 2.30 O ATOM 448 CB ALA A 33 49.958 25.370 -18.173 1.00 42.23 C ATOM 0 H ALA A 33 50.630 25.473 -20.590 1.00 1.31 H new ATOM 0 HA ALA A 33 51.574 24.002 -18.280 1.00 44.21 H new ATOM 0 HB1 ALA A 33 49.631 25.018 -17.195 1.00 42.23 H new ATOM 0 HB2 ALA A 33 50.617 26.229 -18.048 1.00 42.23 H new ATOM 0 HB3 ALA A 33 49.089 25.662 -18.763 1.00 42.23 H new ATOM 454 N GLU A 34 50.433 21.862 -18.848 1.00 63.03 N ATOM 455 CA GLU A 34 49.736 20.608 -19.058 1.00 51.32 C ATOM 456 C GLU A 34 49.614 19.847 -17.748 1.00 22.55 C ATOM 457 O GLU A 34 50.550 19.174 -17.314 1.00 43.25 O ATOM 458 CB GLU A 34 50.478 19.776 -20.106 1.00 4.31 C ATOM 459 CG GLU A 34 49.711 18.578 -20.625 1.00 43.11 C ATOM 460 CD GLU A 34 50.500 17.818 -21.672 1.00 11.42 C ATOM 461 OE1 GLU A 34 50.434 16.578 -21.676 1.00 70.41 O ATOM 462 OE2 GLU A 34 51.223 18.457 -22.466 1.00 0.35 O1- ATOM 0 H GLU A 34 51.402 21.763 -18.544 1.00 63.03 H new ATOM 0 HA GLU A 34 48.730 20.812 -19.424 1.00 51.32 H new ATOM 0 HB2 GLU A 34 50.731 20.420 -20.948 1.00 4.31 H new ATOM 0 HB3 GLU A 34 51.418 19.430 -19.676 1.00 4.31 H new ATOM 0 HG2 GLU A 34 49.471 17.912 -19.796 1.00 43.11 H new ATOM 0 HG3 GLU A 34 48.764 18.909 -21.052 1.00 43.11 H new ATOM 469 N VAL A 35 48.467 19.982 -17.113 1.00 72.24 N ATOM 470 CA VAL A 35 48.186 19.272 -15.880 1.00 1.04 C ATOM 471 C VAL A 35 47.267 18.106 -16.196 1.00 15.44 C ATOM 472 O VAL A 35 46.433 18.208 -17.098 1.00 34.34 O ATOM 473 CB VAL A 35 47.520 20.196 -14.834 1.00 73.02 C ATOM 474 CG1 VAL A 35 47.334 19.477 -13.503 1.00 43.24 C ATOM 475 CG2 VAL A 35 48.336 21.465 -14.642 1.00 72.21 C ATOM 0 H VAL A 35 47.708 20.583 -17.434 1.00 72.24 H new ATOM 0 HA VAL A 35 49.124 18.917 -15.454 1.00 1.04 H new ATOM 0 HB VAL A 35 46.535 20.470 -15.211 1.00 73.02 H new ATOM 0 HG11 VAL A 35 46.864 20.152 -12.788 1.00 43.24 H new ATOM 0 HG12 VAL A 35 46.700 18.602 -13.648 1.00 43.24 H new ATOM 0 HG13 VAL A 35 48.305 19.162 -13.121 1.00 43.24 H new ATOM 0 HG21 VAL A 35 47.850 22.101 -13.902 1.00 72.21 H new ATOM 0 HG22 VAL A 35 49.337 21.205 -14.296 1.00 72.21 H new ATOM 0 HG23 VAL A 35 48.407 21.999 -15.590 1.00 72.21 H new ATOM 485 N PHE A 36 47.436 16.994 -15.495 1.00 22.41 N ATOM 486 CA PHE A 36 46.644 15.812 -15.779 1.00 15.50 C ATOM 487 C PHE A 36 45.188 16.058 -15.425 1.00 3.00 C ATOM 488 O PHE A 36 44.859 16.434 -14.299 1.00 12.52 O ATOM 489 CB PHE A 36 47.195 14.575 -15.049 1.00 12.44 C ATOM 490 CG PHE A 36 47.221 14.681 -13.549 1.00 61.13 C ATOM 491 CD1 PHE A 36 48.243 15.360 -12.904 1.00 3.24 C ATOM 492 CD2 PHE A 36 46.229 14.086 -12.784 1.00 5.12 C ATOM 493 CE1 PHE A 36 48.272 15.448 -11.526 1.00 63.02 C ATOM 494 CE2 PHE A 36 46.252 14.173 -11.406 1.00 41.31 C ATOM 495 CZ PHE A 36 47.276 14.853 -10.776 1.00 34.21 C ATOM 0 H PHE A 36 48.107 16.888 -14.734 1.00 22.41 H new ATOM 0 HA PHE A 36 46.709 15.608 -16.848 1.00 15.50 H new ATOM 0 HB2 PHE A 36 46.593 13.710 -15.327 1.00 12.44 H new ATOM 0 HB3 PHE A 36 48.208 14.385 -15.402 1.00 12.44 H new ATOM 0 HD1 PHE A 36 49.025 15.825 -13.485 1.00 3.24 H new ATOM 0 HD2 PHE A 36 45.429 13.548 -13.272 1.00 5.12 H new ATOM 0 HE1 PHE A 36 49.073 15.981 -11.035 1.00 63.02 H new ATOM 0 HE2 PHE A 36 45.470 13.710 -10.822 1.00 41.31 H new ATOM 0 HZ PHE A 36 47.298 14.919 -9.698 1.00 34.21 H new ATOM 505 N PHE A 37 44.320 15.875 -16.400 1.00 25.01 N ATOM 506 CA PHE A 37 42.906 16.070 -16.192 1.00 62.04 C ATOM 507 C PHE A 37 42.231 14.707 -16.251 1.00 14.13 C ATOM 508 O PHE A 37 42.872 13.728 -16.623 1.00 31.45 O ATOM 509 CB PHE A 37 42.335 17.023 -17.244 1.00 14.23 C ATOM 510 CG PHE A 37 41.126 17.782 -16.773 1.00 31.32 C ATOM 511 CD1 PHE A 37 41.273 18.911 -15.984 1.00 22.33 C ATOM 512 CD2 PHE A 37 39.850 17.372 -17.118 1.00 54.35 C ATOM 513 CE1 PHE A 37 40.169 19.613 -15.547 1.00 21.44 C ATOM 514 CE2 PHE A 37 38.743 18.071 -16.682 1.00 51.45 C ATOM 515 CZ PHE A 37 38.902 19.193 -15.897 1.00 44.14 C ATOM 0 H PHE A 37 44.574 15.591 -17.346 1.00 25.01 H new ATOM 0 HA PHE A 37 42.723 16.526 -15.219 1.00 62.04 H new ATOM 0 HB2 PHE A 37 43.108 17.733 -17.537 1.00 14.23 H new ATOM 0 HB3 PHE A 37 42.072 16.453 -18.135 1.00 14.23 H new ATOM 0 HD1 PHE A 37 42.262 19.245 -15.708 1.00 22.33 H new ATOM 0 HD2 PHE A 37 39.719 16.495 -17.735 1.00 54.35 H new ATOM 0 HE1 PHE A 37 40.296 20.491 -14.931 1.00 21.44 H new ATOM 0 HE2 PHE A 37 37.752 17.739 -16.956 1.00 51.45 H new ATOM 0 HZ PHE A 37 38.037 19.742 -15.557 1.00 44.14 H new ATOM 525 N LYS A 38 40.960 14.616 -15.890 1.00 43.23 N ATOM 526 CA LYS A 38 40.328 13.308 -15.738 1.00 35.22 C ATOM 527 C LYS A 38 38.900 13.317 -16.263 1.00 51.03 C ATOM 528 O LYS A 38 38.312 14.375 -16.492 1.00 30.24 O ATOM 529 CB LYS A 38 40.315 12.889 -14.261 1.00 15.03 C ATOM 530 CG LYS A 38 41.514 13.390 -13.470 1.00 64.22 C ATOM 531 CD LYS A 38 41.332 13.212 -11.972 1.00 33.25 C ATOM 532 CE LYS A 38 42.421 13.944 -11.200 1.00 40.42 C ATOM 533 NZ LYS A 38 42.236 13.834 -9.732 1.00 40.01 N1+ ATOM 0 H LYS A 38 40.353 15.413 -15.699 1.00 43.23 H new ATOM 0 HA LYS A 38 40.912 12.595 -16.320 1.00 35.22 H new ATOM 0 HB2 LYS A 38 39.403 13.262 -13.795 1.00 15.03 H new ATOM 0 HB3 LYS A 38 40.281 11.801 -14.202 1.00 15.03 H new ATOM 0 HG2 LYS A 38 42.408 12.855 -13.791 1.00 64.22 H new ATOM 0 HG3 LYS A 38 41.677 14.445 -13.691 1.00 64.22 H new ATOM 0 HD2 LYS A 38 40.354 13.589 -11.674 1.00 33.25 H new ATOM 0 HD3 LYS A 38 41.355 12.151 -11.723 1.00 33.25 H new ATOM 0 HE2 LYS A 38 43.394 13.537 -11.474 1.00 40.42 H new ATOM 0 HE3 LYS A 38 42.423 14.996 -11.487 1.00 40.42 H new ATOM 0 HZ1 LYS A 38 43.000 14.347 -9.246 1.00 40.01 H new ATOM 0 HZ2 LYS A 38 41.319 14.246 -9.466 1.00 40.01 H new ATOM 0 HZ3 LYS A 38 42.260 12.832 -9.453 1.00 40.01 H new ATOM 547 N ILE A 39 38.351 12.126 -16.437 1.00 41.44 N ATOM 548 CA ILE A 39 36.966 11.949 -16.827 1.00 3.01 C ATOM 549 C ILE A 39 36.261 11.093 -15.774 1.00 15.21 C ATOM 550 O ILE A 39 36.809 10.080 -15.336 1.00 30.24 O ATOM 551 CB ILE A 39 36.853 11.278 -18.217 1.00 12.45 C ATOM 552 CG1 ILE A 39 37.545 12.141 -19.280 1.00 11.22 C ATOM 553 CG2 ILE A 39 35.396 11.041 -18.587 1.00 43.02 C ATOM 554 CD1 ILE A 39 37.523 11.536 -20.669 1.00 42.02 C ATOM 0 H ILE A 39 38.859 11.251 -16.310 1.00 41.44 H new ATOM 0 HA ILE A 39 36.492 12.928 -16.894 1.00 3.01 H new ATOM 0 HB ILE A 39 37.352 10.310 -18.173 1.00 12.45 H new ATOM 0 HG12 ILE A 39 37.062 13.118 -19.312 1.00 11.22 H new ATOM 0 HG13 ILE A 39 38.580 12.306 -18.982 1.00 11.22 H new ATOM 0 HG21 ILE A 39 35.342 10.569 -19.568 1.00 43.02 H new ATOM 0 HG22 ILE A 39 34.933 10.390 -17.845 1.00 43.02 H new ATOM 0 HG23 ILE A 39 34.868 11.994 -18.614 1.00 43.02 H new ATOM 0 HD11 ILE A 39 38.031 12.204 -21.365 1.00 42.02 H new ATOM 0 HD12 ILE A 39 38.032 10.572 -20.654 1.00 42.02 H new ATOM 0 HD13 ILE A 39 36.490 11.396 -20.989 1.00 42.02 H new ATOM 566 N LYS A 40 35.058 11.490 -15.367 1.00 5.12 N ATOM 567 CA LYS A 40 34.362 10.804 -14.280 1.00 34.14 C ATOM 568 C LYS A 40 33.060 10.186 -14.771 1.00 65.10 C ATOM 569 O LYS A 40 32.980 8.978 -14.989 1.00 60.22 O ATOM 570 CB LYS A 40 34.062 11.768 -13.132 1.00 24.04 C ATOM 571 CG LYS A 40 35.272 12.545 -12.641 1.00 24.31 C ATOM 572 CD LYS A 40 34.899 13.450 -11.482 1.00 53.32 C ATOM 573 CE LYS A 40 36.053 14.343 -11.063 1.00 24.33 C ATOM 574 NZ LYS A 40 35.698 15.165 -9.879 1.00 41.13 N1+ ATOM 0 H LYS A 40 34.548 12.276 -15.769 1.00 5.12 H new ATOM 0 HA LYS A 40 35.019 10.012 -13.920 1.00 34.14 H new ATOM 0 HB2 LYS A 40 33.297 12.474 -13.455 1.00 24.04 H new ATOM 0 HB3 LYS A 40 33.643 11.204 -12.298 1.00 24.04 H new ATOM 0 HG2 LYS A 40 36.053 11.851 -12.330 1.00 24.31 H new ATOM 0 HG3 LYS A 40 35.682 13.141 -13.456 1.00 24.31 H new ATOM 0 HD2 LYS A 40 34.047 14.068 -11.764 1.00 53.32 H new ATOM 0 HD3 LYS A 40 34.585 12.842 -10.634 1.00 53.32 H new ATOM 0 HE2 LYS A 40 36.925 13.730 -10.834 1.00 24.33 H new ATOM 0 HE3 LYS A 40 36.330 14.995 -11.891 1.00 24.33 H new ATOM 0 HZ1 LYS A 40 36.507 15.764 -9.617 1.00 41.13 H new ATOM 0 HZ2 LYS A 40 34.881 15.767 -10.106 1.00 41.13 H new ATOM 0 HZ3 LYS A 40 35.457 14.541 -9.083 1.00 41.13 H new ATOM 588 N ARG A 41 32.046 11.025 -14.931 1.00 61.11 N ATOM 589 CA ARG A 41 30.766 10.596 -15.474 1.00 55.41 C ATOM 590 C ARG A 41 30.913 10.449 -16.984 1.00 11.40 C ATOM 591 O ARG A 41 31.988 10.725 -17.523 1.00 73.11 O ATOM 592 CB ARG A 41 29.696 11.650 -15.149 1.00 22.45 C ATOM 593 CG ARG A 41 28.263 11.146 -15.212 1.00 52.54 C ATOM 594 CD ARG A 41 27.900 10.351 -13.969 1.00 73.40 C ATOM 595 NE ARG A 41 26.488 9.987 -13.949 1.00 54.01 N ATOM 596 CZ ARG A 41 25.631 10.384 -13.013 1.00 61.02 C ATOM 597 NH1 ARG A 41 26.026 11.215 -12.054 1.00 20.44 N1+ ATOM 598 NH2 ARG A 41 24.372 9.969 -13.056 1.00 0.21 N ATOM 0 H ARG A 41 32.087 12.015 -14.690 1.00 61.11 H new ATOM 0 HA ARG A 41 30.465 9.644 -15.037 1.00 55.41 H new ATOM 0 HB2 ARG A 41 29.884 12.042 -14.150 1.00 22.45 H new ATOM 0 HB3 ARG A 41 29.804 12.483 -15.844 1.00 22.45 H new ATOM 0 HG2 ARG A 41 27.583 11.991 -15.317 1.00 52.54 H new ATOM 0 HG3 ARG A 41 28.134 10.521 -16.096 1.00 52.54 H new ATOM 0 HD2 ARG A 41 28.508 9.448 -13.925 1.00 73.40 H new ATOM 0 HD3 ARG A 41 28.136 10.938 -13.081 1.00 73.40 H new ATOM 0 HE ARG A 41 26.136 9.392 -14.699 1.00 54.01 H new ATOM 0 HH11 ARG A 41 26.989 11.550 -12.034 1.00 20.44 H new ATOM 0 HH12 ARG A 41 25.366 11.518 -11.338 1.00 20.44 H new ATOM 0 HH21 ARG A 41 24.065 9.348 -13.805 1.00 0.21 H new ATOM 0 HH22 ARG A 41 23.711 10.271 -12.340 1.00 0.21 H new ATOM 612 N LYS A 42 29.864 10.013 -17.671 1.00 54.02 N ATOM 613 CA LYS A 42 29.874 10.063 -19.124 1.00 62.15 C ATOM 614 C LYS A 42 29.977 11.515 -19.543 1.00 3.33 C ATOM 615 O LYS A 42 28.992 12.254 -19.525 1.00 72.44 O ATOM 616 CB LYS A 42 28.609 9.441 -19.707 1.00 51.35 C ATOM 617 CG LYS A 42 28.486 9.575 -21.217 1.00 53.14 C ATOM 618 CD LYS A 42 27.099 9.180 -21.709 1.00 3.24 C ATOM 619 CE LYS A 42 26.008 10.066 -21.114 1.00 73.02 C ATOM 620 NZ LYS A 42 25.522 9.568 -19.794 1.00 32.32 N1+ ATOM 0 H LYS A 42 29.015 9.630 -17.256 1.00 54.02 H new ATOM 0 HA LYS A 42 30.723 9.492 -19.500 1.00 62.15 H new ATOM 0 HB2 LYS A 42 28.584 8.383 -19.444 1.00 51.35 H new ATOM 0 HB3 LYS A 42 27.741 9.906 -19.240 1.00 51.35 H new ATOM 0 HG2 LYS A 42 28.696 10.604 -21.509 1.00 53.14 H new ATOM 0 HG3 LYS A 42 29.235 8.948 -21.700 1.00 53.14 H new ATOM 0 HD2 LYS A 42 27.067 9.247 -22.796 1.00 3.24 H new ATOM 0 HD3 LYS A 42 26.904 8.140 -21.448 1.00 3.24 H new ATOM 0 HE2 LYS A 42 26.392 11.080 -20.997 1.00 73.02 H new ATOM 0 HE3 LYS A 42 25.170 10.120 -21.809 1.00 73.02 H new ATOM 0 HZ1 LYS A 42 24.492 9.428 -19.834 1.00 32.32 H new ATOM 0 HZ2 LYS A 42 25.986 8.664 -19.572 1.00 32.32 H new ATOM 0 HZ3 LYS A 42 25.749 10.264 -19.055 1.00 32.32 H new ATOM 634 N THR A 43 31.176 11.924 -19.886 1.00 11.20 N ATOM 635 CA THR A 43 31.437 13.305 -20.183 1.00 30.45 C ATOM 636 C THR A 43 32.278 13.437 -21.433 1.00 71.22 C ATOM 637 O THR A 43 33.466 13.114 -21.445 1.00 12.31 O ATOM 638 CB THR A 43 32.116 14.023 -18.995 1.00 43.34 C ATOM 639 OG1 THR A 43 33.080 13.164 -18.374 1.00 31.45 O ATOM 640 CG2 THR A 43 31.087 14.461 -17.963 1.00 44.42 C ATOM 0 H THR A 43 31.988 11.312 -19.965 1.00 11.20 H new ATOM 0 HA THR A 43 30.476 13.788 -20.359 1.00 30.45 H new ATOM 0 HB THR A 43 32.620 14.907 -19.385 1.00 43.34 H new ATOM 0 HG1 THR A 43 32.623 12.397 -17.970 1.00 31.45 H new ATOM 0 HG21 THR A 43 31.591 14.964 -17.137 1.00 44.42 H new ATOM 0 HG22 THR A 43 30.377 15.146 -18.426 1.00 44.42 H new ATOM 0 HG23 THR A 43 30.555 13.587 -17.586 1.00 44.42 H new ATOM 648 N LYS A 44 31.619 13.869 -22.493 1.00 62.32 N ATOM 649 CA LYS A 44 32.275 14.174 -23.757 1.00 25.23 C ATOM 650 C LYS A 44 33.460 15.117 -23.550 1.00 4.31 C ATOM 651 O LYS A 44 33.628 15.706 -22.477 1.00 45.53 O ATOM 652 CB LYS A 44 31.281 14.842 -24.706 1.00 50.13 C ATOM 653 CG LYS A 44 29.964 14.107 -24.858 1.00 21.31 C ATOM 654 CD LYS A 44 28.952 14.968 -25.594 1.00 45.42 C ATOM 655 CE LYS A 44 27.571 14.337 -25.617 1.00 25.02 C ATOM 656 NZ LYS A 44 27.469 13.225 -26.602 1.00 21.22 N1+ ATOM 0 H LYS A 44 30.610 14.020 -22.504 1.00 62.32 H new ATOM 0 HA LYS A 44 32.636 13.237 -24.181 1.00 25.23 H new ATOM 0 HB2 LYS A 44 31.080 15.852 -24.349 1.00 50.13 H new ATOM 0 HB3 LYS A 44 31.744 14.938 -25.688 1.00 50.13 H new ATOM 0 HG2 LYS A 44 30.122 13.176 -25.403 1.00 21.31 H new ATOM 0 HG3 LYS A 44 29.575 13.839 -23.875 1.00 21.31 H new ATOM 0 HD2 LYS A 44 28.895 15.946 -25.117 1.00 45.42 H new ATOM 0 HD3 LYS A 44 29.292 15.131 -26.617 1.00 45.42 H new ATOM 0 HE2 LYS A 44 27.330 13.961 -24.623 1.00 25.02 H new ATOM 0 HE3 LYS A 44 26.830 15.100 -25.857 1.00 25.02 H new ATOM 0 HZ1 LYS A 44 26.773 12.528 -26.268 1.00 21.22 H new ATOM 0 HZ2 LYS A 44 27.166 13.603 -27.522 1.00 21.22 H new ATOM 0 HZ3 LYS A 44 28.397 12.766 -26.705 1.00 21.22 H new ATOM 670 N LEU A 45 34.245 15.302 -24.605 1.00 35.14 N ATOM 671 CA LEU A 45 35.393 16.204 -24.568 1.00 14.24 C ATOM 672 C LEU A 45 34.937 17.640 -24.310 1.00 21.03 C ATOM 673 O LEU A 45 35.750 18.522 -24.034 1.00 72.43 O ATOM 674 CB LEU A 45 36.168 16.128 -25.888 1.00 45.14 C ATOM 675 CG LEU A 45 36.644 14.729 -26.288 1.00 62.15 C ATOM 676 CD1 LEU A 45 37.168 14.735 -27.715 1.00 1.23 C ATOM 677 CD2 LEU A 45 37.719 14.231 -25.335 1.00 32.21 C ATOM 0 H LEU A 45 34.107 14.837 -25.502 1.00 35.14 H new ATOM 0 HA LEU A 45 36.049 15.895 -23.754 1.00 14.24 H new ATOM 0 HB2 LEU A 45 35.536 16.520 -26.685 1.00 45.14 H new ATOM 0 HB3 LEU A 45 37.036 16.783 -25.819 1.00 45.14 H new ATOM 0 HG LEU A 45 35.793 14.051 -26.230 1.00 62.15 H new ATOM 0 HD11 LEU A 45 37.502 13.733 -27.984 1.00 1.23 H new ATOM 0 HD12 LEU A 45 36.373 15.047 -28.393 1.00 1.23 H new ATOM 0 HD13 LEU A 45 38.004 15.430 -27.793 1.00 1.23 H new ATOM 0 HD21 LEU A 45 38.042 13.235 -25.639 1.00 32.21 H new ATOM 0 HD22 LEU A 45 38.570 14.912 -25.359 1.00 32.21 H new ATOM 0 HD23 LEU A 45 37.317 14.189 -24.323 1.00 32.21 H new ATOM 689 N GLU A 46 33.624 17.852 -24.395 1.00 23.02 N ATOM 690 CA GLU A 46 33.024 19.154 -24.149 1.00 4.12 C ATOM 691 C GLU A 46 33.438 19.709 -22.788 1.00 12.14 C ATOM 692 O GLU A 46 34.024 20.780 -22.704 1.00 22.14 O ATOM 693 CB GLU A 46 31.501 19.042 -24.214 1.00 14.42 C ATOM 694 CG GLU A 46 30.989 18.414 -25.501 1.00 64.54 C ATOM 695 CD GLU A 46 31.189 19.301 -26.713 1.00 23.41 C ATOM 696 OE1 GLU A 46 30.179 19.783 -27.267 1.00 71.11 O ATOM 697 OE2 GLU A 46 32.343 19.517 -27.121 1.00 72.42 O1- ATOM 0 H GLU A 46 32.951 17.124 -24.636 1.00 23.02 H new ATOM 0 HA GLU A 46 33.378 19.839 -24.919 1.00 4.12 H new ATOM 0 HB2 GLU A 46 31.153 18.450 -23.368 1.00 14.42 H new ATOM 0 HB3 GLU A 46 31.067 20.036 -24.108 1.00 14.42 H new ATOM 0 HG2 GLU A 46 31.500 17.465 -25.664 1.00 64.54 H new ATOM 0 HG3 GLU A 46 29.928 18.190 -25.392 1.00 64.54 H new ATOM 704 N LYS A 47 33.168 18.964 -21.721 1.00 62.41 N ATOM 705 CA LYS A 47 33.433 19.467 -20.376 1.00 33.34 C ATOM 706 C LYS A 47 34.933 19.562 -20.117 1.00 42.22 C ATOM 707 O LYS A 47 35.376 20.347 -19.281 1.00 54.00 O ATOM 708 CB LYS A 47 32.737 18.596 -19.315 1.00 45.33 C ATOM 709 CG LYS A 47 33.359 17.225 -19.091 1.00 32.31 C ATOM 710 CD LYS A 47 34.450 17.265 -18.028 1.00 42.23 C ATOM 711 CE LYS A 47 35.042 15.890 -17.776 1.00 42.04 C ATOM 712 NZ LYS A 47 36.171 15.943 -16.808 1.00 24.31 N1+ ATOM 0 H LYS A 47 32.772 18.025 -21.758 1.00 62.41 H new ATOM 0 HA LYS A 47 33.018 20.472 -20.303 1.00 33.34 H new ATOM 0 HB2 LYS A 47 32.737 19.136 -18.368 1.00 45.33 H new ATOM 0 HB3 LYS A 47 31.695 18.461 -19.605 1.00 45.33 H new ATOM 0 HG2 LYS A 47 32.585 16.519 -18.790 1.00 32.31 H new ATOM 0 HG3 LYS A 47 33.778 16.858 -20.028 1.00 32.31 H new ATOM 0 HD2 LYS A 47 35.239 17.948 -18.342 1.00 42.23 H new ATOM 0 HD3 LYS A 47 34.038 17.659 -17.099 1.00 42.23 H new ATOM 0 HE2 LYS A 47 34.267 15.225 -17.394 1.00 42.04 H new ATOM 0 HE3 LYS A 47 35.390 15.466 -18.718 1.00 42.04 H new ATOM 0 HZ1 LYS A 47 37.019 15.525 -17.241 1.00 24.31 H new ATOM 0 HZ2 LYS A 47 36.364 16.933 -16.554 1.00 24.31 H new ATOM 0 HZ3 LYS A 47 35.920 15.409 -15.952 1.00 24.31 H new ATOM 726 N LEU A 48 35.711 18.771 -20.850 1.00 14.11 N ATOM 727 CA LEU A 48 37.161 18.778 -20.708 1.00 44.42 C ATOM 728 C LEU A 48 37.729 20.136 -21.093 1.00 0.14 C ATOM 729 O LEU A 48 38.690 20.607 -20.488 1.00 70.35 O ATOM 730 CB LEU A 48 37.790 17.673 -21.561 1.00 44.10 C ATOM 731 CG LEU A 48 37.542 16.247 -21.059 1.00 40.42 C ATOM 732 CD1 LEU A 48 38.051 15.235 -22.068 1.00 3.42 C ATOM 733 CD2 LEU A 48 38.219 16.033 -19.717 1.00 0.32 C ATOM 0 H LEU A 48 35.360 18.117 -21.549 1.00 14.11 H new ATOM 0 HA LEU A 48 37.404 18.587 -19.663 1.00 44.42 H new ATOM 0 HB2 LEU A 48 37.405 17.756 -22.578 1.00 44.10 H new ATOM 0 HB3 LEU A 48 38.866 17.842 -21.612 1.00 44.10 H new ATOM 0 HG LEU A 48 36.468 16.107 -20.935 1.00 40.42 H new ATOM 0 HD11 LEU A 48 37.867 14.227 -21.697 1.00 3.42 H new ATOM 0 HD12 LEU A 48 37.531 15.373 -23.016 1.00 3.42 H new ATOM 0 HD13 LEU A 48 39.121 15.377 -22.218 1.00 3.42 H new ATOM 0 HD21 LEU A 48 38.033 15.015 -19.374 1.00 0.32 H new ATOM 0 HD22 LEU A 48 39.292 16.190 -19.822 1.00 0.32 H new ATOM 0 HD23 LEU A 48 37.818 16.740 -18.990 1.00 0.32 H new ATOM 745 N MET A 49 37.118 20.769 -22.085 1.00 43.23 N ATOM 746 CA MET A 49 37.539 22.098 -22.504 1.00 60.12 C ATOM 747 C MET A 49 36.793 23.173 -21.711 1.00 53.42 C ATOM 748 O MET A 49 37.359 24.215 -21.392 1.00 5.35 O ATOM 749 CB MET A 49 37.317 22.295 -24.010 1.00 51.40 C ATOM 750 CG MET A 49 35.855 22.274 -24.429 1.00 63.31 C ATOM 751 SD MET A 49 35.621 22.385 -26.211 1.00 50.54 S ATOM 752 CE MET A 49 33.836 22.270 -26.310 1.00 11.13 C ATOM 0 H MET A 49 36.333 20.386 -22.612 1.00 43.23 H new ATOM 0 HA MET A 49 38.606 22.193 -22.301 1.00 60.12 H new ATOM 0 HB2 MET A 49 37.756 23.246 -24.310 1.00 51.40 H new ATOM 0 HB3 MET A 49 37.850 21.513 -24.551 1.00 51.40 H new ATOM 0 HG2 MET A 49 35.394 21.356 -24.066 1.00 63.31 H new ATOM 0 HG3 MET A 49 35.335 23.103 -23.949 1.00 63.31 H new ATOM 0 HE1 MET A 49 33.560 21.420 -26.934 1.00 11.13 H new ATOM 0 HE2 MET A 49 33.424 22.135 -25.310 1.00 11.13 H new ATOM 0 HE3 MET A 49 33.436 23.185 -26.746 1.00 11.13 H new ATOM 762 N GLU A 50 35.535 22.898 -21.364 1.00 62.40 N ATOM 763 CA GLU A 50 34.697 23.879 -20.677 1.00 61.02 C ATOM 764 C GLU A 50 35.209 24.184 -19.274 1.00 64.22 C ATOM 765 O GLU A 50 35.067 25.307 -18.794 1.00 60.03 O ATOM 766 CB GLU A 50 33.242 23.414 -20.616 1.00 62.50 C ATOM 767 CG GLU A 50 32.577 23.309 -21.980 1.00 60.44 C ATOM 768 CD GLU A 50 32.559 24.625 -22.726 1.00 51.34 C ATOM 769 OE1 GLU A 50 33.566 24.966 -23.372 1.00 24.22 O ATOM 770 OE2 GLU A 50 31.527 25.325 -22.679 1.00 23.12 O1- ATOM 0 H GLU A 50 35.076 22.006 -21.547 1.00 62.40 H new ATOM 0 HA GLU A 50 34.748 24.799 -21.259 1.00 61.02 H new ATOM 0 HB2 GLU A 50 33.201 22.442 -20.125 1.00 62.50 H new ATOM 0 HB3 GLU A 50 32.674 24.108 -19.997 1.00 62.50 H new ATOM 0 HG2 GLU A 50 33.102 22.564 -22.579 1.00 60.44 H new ATOM 0 HG3 GLU A 50 31.554 22.954 -21.854 1.00 60.44 H new ATOM 777 N VAL A 51 35.801 23.194 -18.609 1.00 23.21 N ATOM 778 CA VAL A 51 36.419 23.440 -17.308 1.00 24.13 C ATOM 779 C VAL A 51 37.542 24.470 -17.445 1.00 13.12 C ATOM 780 O VAL A 51 37.746 25.306 -16.562 1.00 53.21 O ATOM 781 CB VAL A 51 36.960 22.145 -16.659 1.00 43.11 C ATOM 782 CG1 VAL A 51 37.690 22.452 -15.359 1.00 70.21 C ATOM 783 CG2 VAL A 51 35.827 21.164 -16.403 1.00 72.35 C ATOM 0 H VAL A 51 35.866 22.232 -18.941 1.00 23.21 H new ATOM 0 HA VAL A 51 35.643 23.831 -16.650 1.00 24.13 H new ATOM 0 HB VAL A 51 37.668 21.692 -17.352 1.00 43.11 H new ATOM 0 HG11 VAL A 51 38.061 21.525 -14.922 1.00 70.21 H new ATOM 0 HG12 VAL A 51 38.528 23.119 -15.561 1.00 70.21 H new ATOM 0 HG13 VAL A 51 37.004 22.933 -14.661 1.00 70.21 H new ATOM 0 HG21 VAL A 51 36.226 20.258 -15.946 1.00 72.35 H new ATOM 0 HG22 VAL A 51 35.097 21.618 -15.732 1.00 72.35 H new ATOM 0 HG23 VAL A 51 35.344 20.912 -17.347 1.00 72.35 H new ATOM 793 N TYR A 52 38.246 24.435 -18.569 1.00 25.31 N ATOM 794 CA TYR A 52 39.258 25.441 -18.847 1.00 60.25 C ATOM 795 C TYR A 52 38.602 26.764 -19.207 1.00 22.34 C ATOM 796 O TYR A 52 39.030 27.810 -18.729 1.00 70.03 O ATOM 797 CB TYR A 52 40.197 25.014 -19.966 1.00 50.21 C ATOM 798 CG TYR A 52 41.280 24.053 -19.532 1.00 54.44 C ATOM 799 CD1 TYR A 52 42.417 24.518 -18.885 1.00 10.40 C ATOM 800 CD2 TYR A 52 41.178 22.691 -19.782 1.00 35.44 C ATOM 801 CE1 TYR A 52 43.423 23.654 -18.497 1.00 44.31 C ATOM 802 CE2 TYR A 52 42.179 21.819 -19.393 1.00 2.44 C ATOM 803 CZ TYR A 52 43.300 22.306 -18.753 1.00 61.10 C ATOM 804 OH TYR A 52 44.306 21.445 -18.375 1.00 70.14 O ATOM 0 H TYR A 52 38.136 23.728 -19.295 1.00 25.31 H new ATOM 0 HA TYR A 52 39.851 25.560 -17.940 1.00 60.25 H new ATOM 0 HB2 TYR A 52 39.611 24.550 -20.759 1.00 50.21 H new ATOM 0 HB3 TYR A 52 40.664 25.902 -20.392 1.00 50.21 H new ATOM 0 HD1 TYR A 52 42.517 25.574 -18.681 1.00 10.40 H new ATOM 0 HD2 TYR A 52 40.304 22.307 -20.288 1.00 35.44 H new ATOM 0 HE1 TYR A 52 44.301 24.033 -17.996 1.00 44.31 H new ATOM 0 HE2 TYR A 52 42.083 20.761 -19.589 1.00 2.44 H new ATOM 0 HH TYR A 52 44.882 21.256 -19.145 1.00 70.14 H new ATOM 814 N CYS A 53 37.572 26.719 -20.056 1.00 62.33 N ATOM 815 CA CYS A 53 36.775 27.907 -20.358 1.00 41.30 C ATOM 816 C CYS A 53 36.375 28.621 -19.070 1.00 4.33 C ATOM 817 O CYS A 53 36.479 29.847 -18.956 1.00 34.34 O ATOM 818 CB CYS A 53 35.524 27.518 -21.147 1.00 62.10 C ATOM 819 SG CYS A 53 35.865 26.620 -22.677 1.00 24.41 S ATOM 0 H CYS A 53 37.272 25.875 -20.544 1.00 62.33 H new ATOM 0 HA CYS A 53 37.379 28.584 -20.962 1.00 41.30 H new ATOM 0 HB2 CYS A 53 34.884 26.904 -20.513 1.00 62.10 H new ATOM 0 HB3 CYS A 53 34.963 28.421 -21.386 1.00 62.10 H new ATOM 0 HG CYS A 53 34.750 26.175 -23.177 1.00 24.41 H new ATOM 825 N ASN A 54 35.939 27.832 -18.099 1.00 31.24 N ATOM 826 CA ASN A 54 35.561 28.335 -16.788 1.00 23.21 C ATOM 827 C ASN A 54 36.771 28.929 -16.067 1.00 50.15 C ATOM 828 O ASN A 54 36.762 30.101 -15.682 1.00 44.41 O ATOM 829 CB ASN A 54 34.963 27.188 -15.960 1.00 60.32 C ATOM 830 CG ASN A 54 34.367 27.630 -14.632 1.00 62.25 C ATOM 831 OD1 ASN A 54 34.796 28.614 -14.027 1.00 53.02 O ATOM 832 ND2 ASN A 54 33.378 26.890 -14.160 1.00 23.34 N ATOM 0 H ASN A 54 35.837 26.822 -18.199 1.00 31.24 H new ATOM 0 HA ASN A 54 34.819 29.124 -16.910 1.00 23.21 H new ATOM 0 HB2 ASN A 54 34.189 26.694 -16.548 1.00 60.32 H new ATOM 0 HB3 ASN A 54 35.740 26.447 -15.770 1.00 60.32 H new ATOM 0 HD21 ASN A 54 32.945 27.127 -13.268 1.00 23.34 H new ATOM 0 HD22 ASN A 54 33.048 26.082 -14.688 1.00 23.34 H new ATOM 839 N ARG A 55 37.819 28.124 -15.913 1.00 12.20 N ATOM 840 CA ARG A 55 38.970 28.499 -15.096 1.00 42.42 C ATOM 841 C ARG A 55 39.777 29.642 -15.712 1.00 32.14 C ATOM 842 O ARG A 55 40.192 30.567 -15.013 1.00 34.11 O ATOM 843 CB ARG A 55 39.876 27.291 -14.861 1.00 23.13 C ATOM 844 CG ARG A 55 40.985 27.560 -13.858 1.00 12.33 C ATOM 845 CD ARG A 55 41.854 26.337 -13.637 1.00 14.04 C ATOM 846 NE ARG A 55 42.884 26.579 -12.630 1.00 32.42 N ATOM 847 CZ ARG A 55 44.049 25.937 -12.581 1.00 13.03 C ATOM 848 NH1 ARG A 55 44.347 25.011 -13.484 1.00 74.42 N1+ ATOM 849 NH2 ARG A 55 44.921 26.220 -11.624 1.00 31.52 N ATOM 0 H ARG A 55 37.895 27.203 -16.346 1.00 12.20 H new ATOM 0 HA ARG A 55 38.578 28.852 -14.142 1.00 42.42 H new ATOM 0 HB2 ARG A 55 39.272 26.455 -14.509 1.00 23.13 H new ATOM 0 HB3 ARG A 55 40.319 26.987 -15.810 1.00 23.13 H new ATOM 0 HG2 ARG A 55 41.603 28.385 -14.212 1.00 12.33 H new ATOM 0 HG3 ARG A 55 40.549 27.872 -12.909 1.00 12.33 H new ATOM 0 HD2 ARG A 55 41.230 25.499 -13.325 1.00 14.04 H new ATOM 0 HD3 ARG A 55 42.325 26.051 -14.577 1.00 14.04 H new ATOM 0 HE ARG A 55 42.699 27.286 -11.918 1.00 32.42 H new ATOM 0 HH11 ARG A 55 43.681 24.786 -14.223 1.00 74.42 H new ATOM 0 HH12 ARG A 55 45.242 24.524 -13.439 1.00 74.42 H new ATOM 0 HH21 ARG A 55 44.699 26.929 -10.925 1.00 31.52 H new ATOM 0 HH22 ARG A 55 45.814 25.728 -11.586 1.00 31.52 H new ATOM 863 N LEU A 56 39.997 29.580 -17.014 1.00 75.42 N ATOM 864 CA LEU A 56 40.832 30.564 -17.693 1.00 60.21 C ATOM 865 C LEU A 56 40.073 31.864 -17.914 1.00 22.05 C ATOM 866 O LEU A 56 40.679 32.912 -18.117 1.00 73.52 O ATOM 867 CB LEU A 56 41.326 30.015 -19.034 1.00 50.30 C ATOM 868 CG LEU A 56 42.202 28.764 -18.941 1.00 25.35 C ATOM 869 CD1 LEU A 56 42.582 28.277 -20.330 1.00 0.31 C ATOM 870 CD2 LEU A 56 43.452 29.044 -18.116 1.00 31.13 C ATOM 0 H LEU A 56 39.611 28.860 -17.625 1.00 75.42 H new ATOM 0 HA LEU A 56 41.692 30.769 -17.055 1.00 60.21 H new ATOM 0 HB2 LEU A 56 40.461 29.788 -19.657 1.00 50.30 H new ATOM 0 HB3 LEU A 56 41.889 30.797 -19.544 1.00 50.30 H new ATOM 0 HG LEU A 56 41.630 27.981 -18.443 1.00 25.35 H new ATOM 0 HD11 LEU A 56 43.205 27.387 -20.246 1.00 0.31 H new ATOM 0 HD12 LEU A 56 41.679 28.036 -20.891 1.00 0.31 H new ATOM 0 HD13 LEU A 56 43.135 29.059 -20.851 1.00 0.31 H new ATOM 0 HD21 LEU A 56 44.062 28.142 -18.062 1.00 31.13 H new ATOM 0 HD22 LEU A 56 44.026 29.843 -18.585 1.00 31.13 H new ATOM 0 HD23 LEU A 56 43.163 29.348 -17.110 1.00 31.13 H new ATOM 882 N GLY A 57 38.748 31.788 -17.871 1.00 1.41 N ATOM 883 CA GLY A 57 37.931 32.960 -18.120 1.00 43.53 C ATOM 884 C GLY A 57 37.828 33.252 -19.600 1.00 60.04 C ATOM 885 O GLY A 57 37.500 34.365 -20.010 1.00 13.12 O ATOM 0 H GLY A 57 38.225 30.936 -17.668 1.00 1.41 H new ATOM 0 HA2 GLY A 57 36.934 32.806 -17.707 1.00 43.53 H new ATOM 0 HA3 GLY A 57 38.359 33.821 -17.606 1.00 43.53 H new ATOM 889 N GLN A 58 38.120 32.241 -20.398 1.00 5.23 N ATOM 890 CA GLN A 58 38.100 32.358 -21.841 1.00 75.33 C ATOM 891 C GLN A 58 37.564 31.061 -22.423 1.00 45.23 C ATOM 892 O GLN A 58 38.026 29.982 -22.057 1.00 23.22 O ATOM 893 CB GLN A 58 39.517 32.640 -22.348 1.00 11.42 C ATOM 894 CG GLN A 58 39.601 32.970 -23.827 1.00 44.44 C ATOM 895 CD GLN A 58 41.023 33.281 -24.262 1.00 61.21 C ATOM 896 OE1 GLN A 58 41.764 32.396 -24.681 1.00 43.03 O ATOM 897 NE2 GLN A 58 41.412 34.543 -24.157 1.00 21.11 N ATOM 0 H GLN A 58 38.378 31.314 -20.061 1.00 5.23 H new ATOM 0 HA GLN A 58 37.456 33.181 -22.151 1.00 75.33 H new ATOM 0 HB2 GLN A 58 39.935 33.471 -21.779 1.00 11.42 H new ATOM 0 HB3 GLN A 58 40.142 31.770 -22.147 1.00 11.42 H new ATOM 0 HG2 GLN A 58 39.220 32.130 -24.408 1.00 44.44 H new ATOM 0 HG3 GLN A 58 38.960 33.825 -24.044 1.00 44.44 H new ATOM 0 HE21 GLN A 58 40.765 35.248 -23.804 1.00 21.11 H new ATOM 0 HE22 GLN A 58 42.358 34.809 -24.429 1.00 21.11 H new ATOM 906 N SER A 59 36.593 31.162 -23.313 1.00 14.32 N ATOM 907 CA SER A 59 35.919 29.982 -23.823 1.00 21.14 C ATOM 908 C SER A 59 36.684 29.351 -24.985 1.00 30.15 C ATOM 909 O SER A 59 37.599 29.956 -25.551 1.00 21.13 O ATOM 910 CB SER A 59 34.489 30.333 -24.229 1.00 31.20 C ATOM 911 OG SER A 59 34.447 31.529 -24.984 1.00 0.21 O ATOM 0 H SER A 59 36.255 32.045 -23.696 1.00 14.32 H new ATOM 0 HA SER A 59 35.885 29.239 -23.026 1.00 21.14 H new ATOM 0 HB2 SER A 59 34.064 29.517 -24.813 1.00 31.20 H new ATOM 0 HB3 SER A 59 33.872 30.442 -23.337 1.00 31.20 H new ATOM 0 HG SER A 59 33.520 31.727 -25.231 1.00 0.21 H new ATOM 917 N MET A 60 36.286 28.133 -25.337 1.00 4.23 N ATOM 918 CA MET A 60 36.988 27.328 -26.331 1.00 54.32 C ATOM 919 C MET A 60 36.951 27.960 -27.725 1.00 62.24 C ATOM 920 O MET A 60 37.707 27.566 -28.615 1.00 52.30 O ATOM 921 CB MET A 60 36.433 25.899 -26.345 1.00 53.34 C ATOM 922 CG MET A 60 34.955 25.787 -26.702 1.00 74.42 C ATOM 923 SD MET A 60 34.634 25.943 -28.473 1.00 3.20 S ATOM 924 CE MET A 60 35.556 24.549 -29.117 1.00 21.54 C ATOM 0 H MET A 60 35.466 27.675 -24.940 1.00 4.23 H new ATOM 0 HA MET A 60 38.038 27.289 -26.042 1.00 54.32 H new ATOM 0 HB2 MET A 60 37.009 25.308 -27.057 1.00 53.34 H new ATOM 0 HB3 MET A 60 36.589 25.455 -25.362 1.00 53.34 H new ATOM 0 HG2 MET A 60 34.576 24.826 -26.354 1.00 74.42 H new ATOM 0 HG3 MET A 60 34.400 26.560 -26.170 1.00 74.42 H new ATOM 0 HE1 MET A 60 35.410 24.483 -30.195 1.00 21.54 H new ATOM 0 HE2 MET A 60 36.616 24.684 -28.902 1.00 21.54 H new ATOM 0 HE3 MET A 60 35.204 23.631 -28.646 1.00 21.54 H new ATOM 934 N GLU A 61 36.067 28.933 -27.920 1.00 23.42 N ATOM 935 CA GLU A 61 36.028 29.694 -29.168 1.00 74.42 C ATOM 936 C GLU A 61 37.368 30.394 -29.411 1.00 75.51 C ATOM 937 O GLU A 61 37.722 30.691 -30.551 1.00 20.42 O ATOM 938 CB GLU A 61 34.896 30.727 -29.130 1.00 42.44 C ATOM 939 CG GLU A 61 35.031 31.730 -27.999 1.00 61.05 C ATOM 940 CD GLU A 61 33.850 32.671 -27.900 1.00 11.12 C ATOM 941 OE1 GLU A 61 32.749 32.214 -27.530 1.00 22.14 O ATOM 942 OE2 GLU A 61 34.020 33.878 -28.164 1.00 34.12 O1- ATOM 0 H GLU A 61 35.368 29.214 -27.232 1.00 23.42 H new ATOM 0 HA GLU A 61 35.842 28.999 -29.987 1.00 74.42 H new ATOM 0 HB2 GLU A 61 34.871 31.262 -30.079 1.00 42.44 H new ATOM 0 HB3 GLU A 61 33.943 30.207 -29.032 1.00 42.44 H new ATOM 0 HG2 GLU A 61 35.142 31.194 -27.056 1.00 61.05 H new ATOM 0 HG3 GLU A 61 35.941 32.312 -28.143 1.00 61.05 H new ATOM 949 N ALA A 62 38.109 30.626 -28.330 1.00 52.12 N ATOM 950 CA ALA A 62 39.403 31.279 -28.395 1.00 65.21 C ATOM 951 C ALA A 62 40.535 30.276 -28.191 1.00 34.10 C ATOM 952 O ALA A 62 41.698 30.581 -28.444 1.00 64.00 O ATOM 953 CB ALA A 62 39.484 32.394 -27.366 1.00 61.24 C ATOM 0 H ALA A 62 37.824 30.364 -27.386 1.00 52.12 H new ATOM 0 HA ALA A 62 39.515 31.713 -29.389 1.00 65.21 H new ATOM 0 HB1 ALA A 62 40.460 32.875 -27.427 1.00 61.24 H new ATOM 0 HB2 ALA A 62 38.704 33.130 -27.564 1.00 61.24 H new ATOM 0 HB3 ALA A 62 39.345 31.979 -26.368 1.00 61.24 H new ATOM 959 N VAL A 63 40.189 29.076 -27.736 1.00 73.13 N ATOM 960 CA VAL A 63 41.166 28.003 -27.548 1.00 24.42 C ATOM 961 C VAL A 63 40.548 26.646 -27.887 1.00 55.34 C ATOM 962 O VAL A 63 39.767 26.092 -27.116 1.00 73.14 O ATOM 963 CB VAL A 63 41.734 27.972 -26.105 1.00 61.35 C ATOM 964 CG1 VAL A 63 42.774 29.065 -25.909 1.00 71.21 C ATOM 965 CG2 VAL A 63 40.625 28.120 -25.072 1.00 55.25 C ATOM 0 H VAL A 63 39.233 28.819 -27.489 1.00 73.13 H new ATOM 0 HA VAL A 63 41.993 28.207 -28.228 1.00 24.42 H new ATOM 0 HB VAL A 63 42.211 27.002 -25.962 1.00 61.35 H new ATOM 0 HG11 VAL A 63 43.158 29.023 -24.890 1.00 71.21 H new ATOM 0 HG12 VAL A 63 43.594 28.917 -26.612 1.00 71.21 H new ATOM 0 HG13 VAL A 63 42.316 30.038 -26.085 1.00 71.21 H new ATOM 0 HG21 VAL A 63 41.055 28.094 -24.071 1.00 55.25 H new ATOM 0 HG22 VAL A 63 40.112 29.070 -25.223 1.00 55.25 H new ATOM 0 HG23 VAL A 63 39.913 27.302 -25.182 1.00 55.25 H new ATOM 975 N ARG A 64 40.890 26.109 -29.050 1.00 62.12 N ATOM 976 CA ARG A 64 40.303 24.851 -29.490 1.00 22.32 C ATOM 977 C ARG A 64 41.212 23.681 -29.136 1.00 10.41 C ATOM 978 O ARG A 64 42.436 23.804 -29.168 1.00 51.14 O ATOM 979 CB ARG A 64 40.024 24.860 -30.995 1.00 54.44 C ATOM 980 CG ARG A 64 39.165 23.682 -31.429 1.00 13.01 C ATOM 981 CD ARG A 64 38.835 23.716 -32.908 1.00 42.55 C ATOM 982 NE ARG A 64 37.938 22.621 -33.274 1.00 31.25 N ATOM 983 CZ ARG A 64 37.615 22.301 -34.524 1.00 15.00 C ATOM 984 NH1 ARG A 64 38.097 22.999 -35.548 1.00 3.51 N1+ ATOM 985 NH2 ARG A 64 36.797 21.282 -34.752 1.00 70.22 N ATOM 0 H ARG A 64 41.562 26.518 -29.699 1.00 62.12 H new ATOM 0 HA ARG A 64 39.353 24.733 -28.969 1.00 22.32 H new ATOM 0 HB2 ARG A 64 39.524 25.790 -31.264 1.00 54.44 H new ATOM 0 HB3 ARG A 64 40.969 24.837 -31.538 1.00 54.44 H new ATOM 0 HG2 ARG A 64 39.685 22.753 -31.198 1.00 13.01 H new ATOM 0 HG3 ARG A 64 38.239 23.680 -30.854 1.00 13.01 H new ATOM 0 HD2 ARG A 64 38.370 24.670 -33.158 1.00 42.55 H new ATOM 0 HD3 ARG A 64 39.754 23.647 -33.490 1.00 42.55 H new ATOM 0 HE ARG A 64 37.533 22.065 -32.521 1.00 31.25 H new ATOM 0 HH11 ARG A 64 38.721 23.788 -35.379 1.00 3.51 H new ATOM 0 HH12 ARG A 64 37.843 22.745 -36.503 1.00 3.51 H new ATOM 0 HH21 ARG A 64 36.418 20.747 -33.970 1.00 70.22 H new ATOM 0 HH22 ARG A 64 36.547 21.033 -35.709 1.00 70.22 H new ATOM 999 N PHE A 65 40.600 22.549 -28.813 1.00 1.01 N ATOM 1000 CA PHE A 65 41.324 21.381 -28.335 1.00 71.14 C ATOM 1001 C PHE A 65 41.638 20.402 -29.472 1.00 51.04 C ATOM 1002 O PHE A 65 40.777 20.084 -30.294 1.00 10.13 O ATOM 1003 CB PHE A 65 40.501 20.682 -27.245 1.00 12.02 C ATOM 1004 CG PHE A 65 39.226 20.053 -27.742 1.00 4.35 C ATOM 1005 CD1 PHE A 65 38.118 20.832 -28.029 1.00 23.21 C ATOM 1006 CD2 PHE A 65 39.140 18.682 -27.923 1.00 74.42 C ATOM 1007 CE1 PHE A 65 36.950 20.257 -28.487 1.00 40.23 C ATOM 1008 CE2 PHE A 65 37.973 18.101 -28.382 1.00 32.51 C ATOM 1009 CZ PHE A 65 36.878 18.890 -28.664 1.00 22.21 C ATOM 0 H PHE A 65 39.591 22.416 -28.875 1.00 1.01 H new ATOM 0 HA PHE A 65 42.276 21.716 -27.922 1.00 71.14 H new ATOM 0 HB2 PHE A 65 41.116 19.912 -26.779 1.00 12.02 H new ATOM 0 HB3 PHE A 65 40.257 21.407 -26.469 1.00 12.02 H new ATOM 0 HD1 PHE A 65 38.168 21.902 -27.893 1.00 23.21 H new ATOM 0 HD2 PHE A 65 39.995 18.060 -27.703 1.00 74.42 H new ATOM 0 HE1 PHE A 65 36.093 20.876 -28.707 1.00 40.23 H new ATOM 0 HE2 PHE A 65 37.919 17.031 -28.520 1.00 32.51 H new ATOM 0 HZ PHE A 65 35.965 18.439 -29.023 1.00 22.21 H new ATOM 1019 N LEU A 66 42.883 19.943 -29.518 1.00 3.44 N ATOM 1020 CA LEU A 66 43.312 18.920 -30.466 1.00 54.44 C ATOM 1021 C LEU A 66 43.737 17.664 -29.719 1.00 3.34 C ATOM 1022 O LEU A 66 44.739 17.685 -29.007 1.00 63.15 O ATOM 1023 CB LEU A 66 44.485 19.410 -31.326 1.00 43.35 C ATOM 1024 CG LEU A 66 44.172 20.522 -32.332 1.00 33.23 C ATOM 1025 CD1 LEU A 66 44.088 21.879 -31.648 1.00 0.12 C ATOM 1026 CD2 LEU A 66 45.215 20.538 -33.436 1.00 53.02 C ATOM 0 H LEU A 66 43.625 20.269 -28.899 1.00 3.44 H new ATOM 0 HA LEU A 66 42.468 18.700 -31.120 1.00 54.44 H new ATOM 0 HB2 LEU A 66 45.273 19.763 -30.661 1.00 43.35 H new ATOM 0 HB3 LEU A 66 44.888 18.557 -31.873 1.00 43.35 H new ATOM 0 HG LEU A 66 43.197 20.316 -32.774 1.00 33.23 H new ATOM 0 HD11 LEU A 66 43.865 22.647 -32.389 1.00 0.12 H new ATOM 0 HD12 LEU A 66 43.299 21.859 -30.897 1.00 0.12 H new ATOM 0 HD13 LEU A 66 45.040 22.104 -31.168 1.00 0.12 H new ATOM 0 HD21 LEU A 66 44.982 21.332 -34.145 1.00 53.02 H new ATOM 0 HD22 LEU A 66 46.200 20.715 -33.004 1.00 53.02 H new ATOM 0 HD23 LEU A 66 45.213 19.578 -33.953 1.00 53.02 H new ATOM 1038 N TYR A 67 43.006 16.567 -29.885 1.00 31.41 N ATOM 1039 CA TYR A 67 43.325 15.360 -29.138 1.00 20.11 C ATOM 1040 C TYR A 67 44.028 14.349 -30.036 1.00 74.01 C ATOM 1041 O TYR A 67 43.678 14.194 -31.210 1.00 2.22 O ATOM 1042 CB TYR A 67 42.075 14.755 -28.475 1.00 43.11 C ATOM 1043 CG TYR A 67 41.275 13.796 -29.336 1.00 44.31 C ATOM 1044 CD1 TYR A 67 41.083 12.479 -28.932 1.00 53.11 C ATOM 1045 CD2 TYR A 67 40.712 14.200 -30.537 1.00 43.34 C ATOM 1046 CE1 TYR A 67 40.349 11.596 -29.701 1.00 20.14 C ATOM 1047 CE2 TYR A 67 39.980 13.320 -31.313 1.00 70.41 C ATOM 1048 CZ TYR A 67 39.800 12.020 -30.891 1.00 13.14 C ATOM 1049 OH TYR A 67 39.062 11.144 -31.658 1.00 73.41 O ATOM 0 H TYR A 67 42.207 16.489 -30.515 1.00 31.41 H new ATOM 0 HA TYR A 67 44.008 15.632 -28.333 1.00 20.11 H new ATOM 0 HB2 TYR A 67 42.383 14.232 -27.570 1.00 43.11 H new ATOM 0 HB3 TYR A 67 41.420 15.569 -28.165 1.00 43.11 H new ATOM 0 HD1 TYR A 67 41.515 12.141 -28.002 1.00 53.11 H new ATOM 0 HD2 TYR A 67 40.847 15.218 -30.872 1.00 43.34 H new ATOM 0 HE1 TYR A 67 40.206 10.578 -29.370 1.00 20.14 H new ATOM 0 HE2 TYR A 67 39.550 13.650 -32.247 1.00 70.41 H new ATOM 0 HH TYR A 67 38.746 11.602 -32.465 1.00 73.41 H new ATOM 1059 N ASP A 68 45.049 13.699 -29.484 1.00 41.34 N ATOM 1060 CA ASP A 68 45.947 12.836 -30.255 1.00 70.30 C ATOM 1061 C ASP A 68 46.535 13.616 -31.440 1.00 63.40 C ATOM 1062 O ASP A 68 46.989 13.045 -32.432 1.00 15.11 O ATOM 1063 CB ASP A 68 45.209 11.574 -30.731 1.00 75.51 C ATOM 1064 CG ASP A 68 46.141 10.529 -31.317 1.00 2.14 C ATOM 1065 OD1 ASP A 68 46.068 10.272 -32.539 1.00 32.21 O ATOM 1066 OD2 ASP A 68 46.956 9.955 -30.564 1.00 31.41 O1- ATOM 0 H ASP A 68 45.279 13.754 -28.492 1.00 41.34 H new ATOM 0 HA ASP A 68 46.768 12.517 -29.613 1.00 70.30 H new ATOM 0 HB2 ASP A 68 44.666 11.139 -29.892 1.00 75.51 H new ATOM 0 HB3 ASP A 68 44.468 11.854 -31.480 1.00 75.51 H new ATOM 1071 N GLY A 69 46.547 14.940 -31.309 1.00 73.33 N ATOM 1072 CA GLY A 69 47.098 15.789 -32.342 1.00 31.22 C ATOM 1073 C GLY A 69 46.041 16.382 -33.264 1.00 61.52 C ATOM 1074 O GLY A 69 46.301 17.376 -33.939 1.00 60.14 O ATOM 0 H GLY A 69 46.181 15.439 -30.498 1.00 73.33 H new ATOM 0 HA2 GLY A 69 47.659 16.599 -31.876 1.00 31.22 H new ATOM 0 HA3 GLY A 69 47.806 15.212 -32.937 1.00 31.22 H new ATOM 1078 N ASP A 70 44.845 15.798 -33.292 1.00 53.11 N ATOM 1079 CA ASP A 70 43.804 16.256 -34.214 1.00 72.13 C ATOM 1080 C ASP A 70 42.576 16.767 -33.470 1.00 44.24 C ATOM 1081 O ASP A 70 41.963 16.051 -32.682 1.00 64.30 O ATOM 1082 CB ASP A 70 43.403 15.137 -35.179 1.00 12.43 C ATOM 1083 CG ASP A 70 42.379 15.589 -36.203 1.00 51.11 C ATOM 1084 OD1 ASP A 70 42.610 16.625 -36.863 1.00 0.21 O ATOM 1085 OD2 ASP A 70 41.353 14.902 -36.380 1.00 51.24 O1- ATOM 0 H ASP A 70 44.573 15.016 -32.696 1.00 53.11 H new ATOM 0 HA ASP A 70 44.222 17.085 -34.785 1.00 72.13 H new ATOM 0 HB2 ASP A 70 44.291 14.772 -35.695 1.00 12.43 H new ATOM 0 HB3 ASP A 70 42.998 14.300 -34.611 1.00 12.43 H new ATOM 1090 N ARG A 71 42.245 18.026 -33.705 1.00 22.42 N ATOM 1091 CA ARG A 71 41.056 18.635 -33.123 1.00 4.53 C ATOM 1092 C ARG A 71 39.777 18.054 -33.717 1.00 73.24 C ATOM 1093 O ARG A 71 39.714 17.759 -34.910 1.00 53.50 O ATOM 1094 CB ARG A 71 41.053 20.158 -33.328 1.00 35.54 C ATOM 1095 CG ARG A 71 40.759 20.618 -34.753 1.00 31.51 C ATOM 1096 CD ARG A 71 42.025 20.888 -35.549 1.00 31.40 C ATOM 1097 NE ARG A 71 42.477 19.733 -36.321 1.00 41.13 N ATOM 1098 CZ ARG A 71 43.316 19.825 -37.355 1.00 30.34 C ATOM 1099 NH1 ARG A 71 43.714 21.018 -37.785 1.00 31.45 N1+ ATOM 1100 NH2 ARG A 71 43.733 18.728 -37.967 1.00 61.14 N ATOM 0 H ARG A 71 42.787 18.653 -34.300 1.00 22.42 H new ATOM 0 HA ARG A 71 41.084 18.413 -32.056 1.00 4.53 H new ATOM 0 HB2 ARG A 71 40.312 20.598 -32.661 1.00 35.54 H new ATOM 0 HB3 ARG A 71 42.025 20.551 -33.029 1.00 35.54 H new ATOM 0 HG2 ARG A 71 40.168 19.857 -35.263 1.00 31.51 H new ATOM 0 HG3 ARG A 71 40.153 21.524 -34.722 1.00 31.51 H new ATOM 0 HD2 ARG A 71 41.849 21.723 -36.227 1.00 31.40 H new ATOM 0 HD3 ARG A 71 42.818 21.193 -34.866 1.00 31.40 H new ATOM 0 HE ARG A 71 42.134 18.810 -36.056 1.00 41.13 H new ATOM 0 HH11 ARG A 71 43.378 21.864 -37.325 1.00 31.45 H new ATOM 0 HH12 ARG A 71 44.355 21.087 -38.575 1.00 31.45 H new ATOM 0 HH21 ARG A 71 43.413 17.813 -37.648 1.00 61.14 H new ATOM 0 HH22 ARG A 71 44.374 18.797 -38.757 1.00 61.14 H new ATOM 1114 N ILE A 72 38.766 17.900 -32.875 1.00 75.30 N ATOM 1115 CA ILE A 72 37.438 17.487 -33.315 1.00 23.12 C ATOM 1116 C ILE A 72 36.389 18.231 -32.502 1.00 21.23 C ATOM 1117 O ILE A 72 36.688 19.249 -31.872 1.00 74.34 O ATOM 1118 CB ILE A 72 37.194 15.964 -33.145 1.00 62.51 C ATOM 1119 CG1 ILE A 72 37.344 15.551 -31.676 1.00 50.23 C ATOM 1120 CG2 ILE A 72 38.135 15.154 -34.030 1.00 14.53 C ATOM 1121 CD1 ILE A 72 36.804 14.170 -31.381 1.00 62.02 C ATOM 0 H ILE A 72 38.841 18.057 -31.870 1.00 75.30 H new ATOM 0 HA ILE A 72 37.366 17.722 -34.377 1.00 23.12 H new ATOM 0 HB ILE A 72 36.172 15.752 -33.459 1.00 62.51 H new ATOM 0 HG12 ILE A 72 38.399 15.586 -31.402 1.00 50.23 H new ATOM 0 HG13 ILE A 72 36.827 16.277 -31.048 1.00 50.23 H new ATOM 0 HG21 ILE A 72 37.941 14.091 -33.890 1.00 14.53 H new ATOM 0 HG22 ILE A 72 37.970 15.418 -35.074 1.00 14.53 H new ATOM 0 HG23 ILE A 72 39.168 15.373 -33.759 1.00 14.53 H new ATOM 0 HD11 ILE A 72 36.943 13.943 -30.324 1.00 62.02 H new ATOM 0 HD12 ILE A 72 35.742 14.135 -31.623 1.00 62.02 H new ATOM 0 HD13 ILE A 72 37.338 13.434 -31.983 1.00 62.02 H new ATOM 1133 N HIS A 73 35.164 17.737 -32.534 1.00 53.04 N ATOM 1134 CA HIS A 73 34.123 18.219 -31.641 1.00 43.03 C ATOM 1135 C HIS A 73 34.006 17.270 -30.459 1.00 24.44 C ATOM 1136 O HIS A 73 34.093 16.052 -30.627 1.00 15.32 O ATOM 1137 CB HIS A 73 32.784 18.344 -32.371 1.00 55.44 C ATOM 1138 CG HIS A 73 32.785 19.406 -33.427 1.00 52.52 C ATOM 1139 ND1 HIS A 73 32.898 19.133 -34.774 1.00 23.24 N ATOM 1140 CD2 HIS A 73 32.696 20.753 -33.326 1.00 42.44 C ATOM 1141 CE1 HIS A 73 32.880 20.263 -35.451 1.00 61.52 C ATOM 1142 NE2 HIS A 73 32.757 21.258 -34.598 1.00 53.34 N ATOM 0 H HIS A 73 34.864 16.999 -33.171 1.00 53.04 H new ATOM 0 HA HIS A 73 34.391 19.213 -31.284 1.00 43.03 H new ATOM 0 HB2 HIS A 73 32.536 17.386 -32.828 1.00 55.44 H new ATOM 0 HB3 HIS A 73 32.001 18.563 -31.645 1.00 55.44 H new ATOM 0 HD2 HIS A 73 32.596 21.323 -32.414 1.00 42.44 H new ATOM 0 HE1 HIS A 73 32.954 20.357 -36.524 1.00 61.52 H new ATOM 0 HE2 HIS A 73 32.714 22.247 -34.845 1.00 53.34 H new ATOM 1151 N GLY A 74 33.806 17.826 -29.270 1.00 2.32 N ATOM 1152 CA GLY A 74 33.845 17.033 -28.053 1.00 30.33 C ATOM 1153 C GLY A 74 32.809 15.928 -28.019 1.00 45.23 C ATOM 1154 O GLY A 74 32.981 14.929 -27.318 1.00 50.31 O ATOM 0 H GLY A 74 33.616 18.818 -29.125 1.00 2.32 H new ATOM 0 HA2 GLY A 74 34.837 16.594 -27.946 1.00 30.33 H new ATOM 0 HA3 GLY A 74 33.693 17.689 -27.196 1.00 30.33 H new ATOM 1158 N ASP A 75 31.745 16.106 -28.787 1.00 32.14 N ATOM 1159 CA ASP A 75 30.644 15.150 -28.833 1.00 72.23 C ATOM 1160 C ASP A 75 31.081 13.783 -29.362 1.00 10.20 C ATOM 1161 O ASP A 75 30.453 12.769 -29.063 1.00 3.33 O ATOM 1162 CB ASP A 75 29.517 15.713 -29.699 1.00 71.41 C ATOM 1163 CG ASP A 75 28.394 14.721 -29.934 1.00 34.44 C ATOM 1164 OD1 ASP A 75 28.248 14.243 -31.080 1.00 15.34 O ATOM 1165 OD2 ASP A 75 27.648 14.423 -28.979 1.00 4.31 O1- ATOM 0 H ASP A 75 31.618 16.915 -29.396 1.00 32.14 H new ATOM 0 HA ASP A 75 30.293 15.000 -27.812 1.00 72.23 H new ATOM 0 HB2 ASP A 75 29.112 16.605 -29.222 1.00 71.41 H new ATOM 0 HB3 ASP A 75 29.926 16.024 -30.660 1.00 71.41 H new ATOM 1170 N ASN A 76 32.165 13.744 -30.126 1.00 64.25 N ATOM 1171 CA ASN A 76 32.604 12.493 -30.740 1.00 64.43 C ATOM 1172 C ASN A 76 33.238 11.560 -29.704 1.00 13.52 C ATOM 1173 O ASN A 76 33.323 10.353 -29.927 1.00 71.25 O ATOM 1174 CB ASN A 76 33.585 12.762 -31.884 1.00 33.10 C ATOM 1175 CG ASN A 76 33.742 11.564 -32.806 1.00 40.10 C ATOM 1176 OD1 ASN A 76 34.809 11.340 -33.382 1.00 32.24 O ATOM 1177 ND2 ASN A 76 32.675 10.794 -32.965 1.00 30.14 N ATOM 0 H ASN A 76 32.752 14.552 -30.335 1.00 64.25 H new ATOM 0 HA ASN A 76 31.722 11.999 -31.148 1.00 64.43 H new ATOM 0 HB2 ASN A 76 33.239 13.619 -32.462 1.00 33.10 H new ATOM 0 HB3 ASN A 76 34.557 13.028 -31.470 1.00 33.10 H new ATOM 0 HD21 ASN A 76 32.719 9.983 -33.582 1.00 30.14 H new ATOM 0 HD22 ASN A 76 31.810 11.013 -32.471 1.00 30.14 H new ATOM 1184 N THR A 77 33.650 12.139 -28.568 1.00 21.44 N ATOM 1185 CA THR A 77 34.250 11.411 -27.429 1.00 65.40 C ATOM 1186 C THR A 77 35.534 10.638 -27.784 1.00 53.35 C ATOM 1187 O THR A 77 35.751 10.230 -28.924 1.00 42.51 O ATOM 1188 CB THR A 77 33.236 10.479 -26.705 1.00 70.12 C ATOM 1189 OG1 THR A 77 32.425 9.746 -27.631 1.00 4.33 O ATOM 1190 CG2 THR A 77 32.344 11.284 -25.776 1.00 65.33 C ATOM 0 H THR A 77 33.577 13.144 -28.407 1.00 21.44 H new ATOM 0 HA THR A 77 34.540 12.200 -26.735 1.00 65.40 H new ATOM 0 HB THR A 77 33.818 9.763 -26.125 1.00 70.12 H new ATOM 0 HG1 THR A 77 32.924 9.604 -28.462 1.00 4.33 H new ATOM 0 HG21 THR A 77 31.641 10.616 -25.278 1.00 65.33 H new ATOM 0 HG22 THR A 77 32.957 11.788 -25.029 1.00 65.33 H new ATOM 0 HG23 THR A 77 31.793 12.026 -26.354 1.00 65.33 H new ATOM 1198 N PRO A 78 36.428 10.458 -26.790 1.00 63.14 N ATOM 1199 CA PRO A 78 37.721 9.790 -26.993 1.00 44.41 C ATOM 1200 C PRO A 78 37.595 8.294 -27.287 1.00 73.22 C ATOM 1201 O PRO A 78 38.391 7.742 -28.053 1.00 62.52 O ATOM 1202 CB PRO A 78 38.458 10.016 -25.669 1.00 13.24 C ATOM 1203 CG PRO A 78 37.388 10.252 -24.660 1.00 24.53 C ATOM 1204 CD PRO A 78 36.254 10.911 -25.396 1.00 62.11 C ATOM 0 HA PRO A 78 38.238 10.194 -27.863 1.00 44.41 H new ATOM 0 HB2 PRO A 78 39.065 9.150 -25.404 1.00 13.24 H new ATOM 0 HB3 PRO A 78 39.132 10.870 -25.735 1.00 13.24 H new ATOM 0 HG2 PRO A 78 37.066 9.314 -24.208 1.00 24.53 H new ATOM 0 HG3 PRO A 78 37.749 10.888 -23.852 1.00 24.53 H new ATOM 0 HD2 PRO A 78 35.287 10.608 -24.995 1.00 62.11 H new ATOM 0 HD3 PRO A 78 36.305 11.997 -25.319 1.00 62.11 H new ATOM 1212 N GLU A 79 36.585 7.640 -26.709 1.00 53.55 N ATOM 1213 CA GLU A 79 36.407 6.197 -26.887 1.00 13.34 C ATOM 1214 C GLU A 79 36.138 5.841 -28.348 1.00 42.02 C ATOM 1215 O GLU A 79 36.235 4.678 -28.739 1.00 71.44 O ATOM 1216 CB GLU A 79 35.281 5.651 -25.998 1.00 73.21 C ATOM 1217 CG GLU A 79 33.964 6.400 -26.124 1.00 74.52 C ATOM 1218 CD GLU A 79 33.780 7.438 -25.038 1.00 5.43 C ATOM 1219 OE1 GLU A 79 34.590 8.384 -24.976 1.00 63.15 O ATOM 1220 OE2 GLU A 79 32.824 7.306 -24.242 1.00 62.13 O1- ATOM 0 H GLU A 79 35.882 8.083 -26.117 1.00 53.55 H new ATOM 0 HA GLU A 79 37.342 5.727 -26.584 1.00 13.34 H new ATOM 0 HB2 GLU A 79 35.114 4.603 -26.246 1.00 73.21 H new ATOM 0 HB3 GLU A 79 35.606 5.685 -24.958 1.00 73.21 H new ATOM 0 HG2 GLU A 79 33.919 6.887 -27.098 1.00 74.52 H new ATOM 0 HG3 GLU A 79 33.140 5.688 -26.085 1.00 74.52 H new ATOM 1227 N GLN A 80 35.806 6.845 -29.145 1.00 45.33 N ATOM 1228 CA GLN A 80 35.588 6.659 -30.571 1.00 74.25 C ATOM 1229 C GLN A 80 36.896 6.326 -31.286 1.00 73.11 C ATOM 1230 O GLN A 80 36.901 5.592 -32.273 1.00 61.03 O ATOM 1231 CB GLN A 80 34.966 7.925 -31.172 1.00 42.54 C ATOM 1232 CG GLN A 80 34.916 7.943 -32.694 1.00 40.33 C ATOM 1233 CD GLN A 80 34.100 6.805 -33.275 1.00 61.53 C ATOM 1234 OE1 GLN A 80 33.144 6.335 -32.662 1.00 12.31 O ATOM 1235 NE2 GLN A 80 34.480 6.352 -34.460 1.00 14.43 N ATOM 0 H GLN A 80 35.681 7.805 -28.824 1.00 45.33 H new ATOM 0 HA GLN A 80 34.904 5.821 -30.708 1.00 74.25 H new ATOM 0 HB2 GLN A 80 33.952 8.035 -30.787 1.00 42.54 H new ATOM 0 HB3 GLN A 80 35.533 8.791 -30.829 1.00 42.54 H new ATOM 0 HG2 GLN A 80 34.494 8.891 -33.027 1.00 40.33 H new ATOM 0 HG3 GLN A 80 35.932 7.891 -33.086 1.00 40.33 H new ATOM 0 HE21 GLN A 80 35.280 6.772 -34.934 1.00 14.43 H new ATOM 0 HE22 GLN A 80 33.973 5.583 -34.899 1.00 14.43 H new ATOM 1244 N LEU A 81 38.012 6.842 -30.777 1.00 2.24 N ATOM 1245 CA LEU A 81 39.275 6.721 -31.496 1.00 73.11 C ATOM 1246 C LEU A 81 40.032 5.465 -31.082 1.00 31.23 C ATOM 1247 O LEU A 81 40.771 4.888 -31.878 1.00 13.32 O ATOM 1248 CB LEU A 81 40.149 7.960 -31.271 1.00 12.23 C ATOM 1249 CG LEU A 81 41.436 8.007 -32.105 1.00 34.10 C ATOM 1250 CD1 LEU A 81 41.116 8.009 -33.592 1.00 12.24 C ATOM 1251 CD2 LEU A 81 42.265 9.228 -31.743 1.00 63.31 C ATOM 0 H LEU A 81 38.068 7.338 -29.888 1.00 2.24 H new ATOM 0 HA LEU A 81 39.041 6.643 -32.558 1.00 73.11 H new ATOM 0 HB2 LEU A 81 39.558 8.848 -31.493 1.00 12.23 H new ATOM 0 HB3 LEU A 81 40.416 8.011 -30.215 1.00 12.23 H new ATOM 0 HG LEU A 81 42.017 7.113 -31.879 1.00 34.10 H new ATOM 0 HD11 LEU A 81 42.043 8.043 -34.164 1.00 12.24 H new ATOM 0 HD12 LEU A 81 40.565 7.104 -33.847 1.00 12.24 H new ATOM 0 HD13 LEU A 81 40.510 8.882 -33.833 1.00 12.24 H new ATOM 0 HD21 LEU A 81 43.173 9.243 -32.345 1.00 63.31 H new ATOM 0 HD22 LEU A 81 41.686 10.131 -31.937 1.00 63.31 H new ATOM 0 HD23 LEU A 81 42.531 9.187 -30.687 1.00 63.31 H new ATOM 1263 N GLY A 82 39.852 5.044 -29.839 1.00 62.20 N ATOM 1264 CA GLY A 82 40.551 3.872 -29.358 1.00 2.54 C ATOM 1265 C GLY A 82 41.624 4.264 -28.380 1.00 50.45 C ATOM 1266 O GLY A 82 42.107 3.446 -27.598 1.00 62.11 O ATOM 0 H GLY A 82 39.238 5.491 -29.158 1.00 62.20 H new ATOM 0 HA2 GLY A 82 39.846 3.191 -28.880 1.00 2.54 H new ATOM 0 HA3 GLY A 82 40.994 3.335 -30.197 1.00 2.54 H new ATOM 1270 N ILE A 83 41.999 5.532 -28.433 1.00 21.12 N ATOM 1271 CA ILE A 83 42.848 6.103 -27.416 1.00 62.23 C ATOM 1272 C ILE A 83 41.965 6.541 -26.261 1.00 53.32 C ATOM 1273 O ILE A 83 40.802 6.897 -26.457 1.00 34.30 O ATOM 1274 CB ILE A 83 43.684 7.304 -27.930 1.00 12.34 C ATOM 1275 CG1 ILE A 83 44.723 7.710 -26.880 1.00 11.32 C ATOM 1276 CG2 ILE A 83 42.789 8.486 -28.279 1.00 63.43 C ATOM 1277 CD1 ILE A 83 45.844 6.705 -26.715 1.00 21.45 C ATOM 0 H ILE A 83 41.726 6.180 -29.172 1.00 21.12 H new ATOM 0 HA ILE A 83 43.565 5.345 -27.103 1.00 62.23 H new ATOM 0 HB ILE A 83 44.201 6.996 -28.839 1.00 12.34 H new ATOM 0 HG12 ILE A 83 45.149 8.674 -27.157 1.00 11.32 H new ATOM 0 HG13 ILE A 83 44.224 7.845 -25.921 1.00 11.32 H new ATOM 0 HG21 ILE A 83 43.402 9.313 -28.636 1.00 63.43 H new ATOM 0 HG22 ILE A 83 42.086 8.192 -29.058 1.00 63.43 H new ATOM 0 HG23 ILE A 83 42.238 8.799 -27.392 1.00 63.43 H new ATOM 0 HD11 ILE A 83 46.541 7.059 -25.956 1.00 21.45 H new ATOM 0 HD12 ILE A 83 45.430 5.745 -26.408 1.00 21.45 H new ATOM 0 HD13 ILE A 83 46.369 6.587 -27.663 1.00 21.45 H new ATOM 1289 N GLU A 84 42.503 6.485 -25.072 1.00 64.03 N ATOM 1290 CA GLU A 84 41.752 6.796 -23.883 1.00 52.21 C ATOM 1291 C GLU A 84 42.741 7.241 -22.809 1.00 4.41 C ATOM 1292 O GLU A 84 43.753 7.846 -23.157 1.00 32.15 O ATOM 1293 CB GLU A 84 40.912 5.584 -23.464 1.00 52.31 C ATOM 1294 CG GLU A 84 39.749 5.934 -22.549 1.00 42.14 C ATOM 1295 CD GLU A 84 39.036 4.712 -22.003 1.00 24.00 C ATOM 1296 OE1 GLU A 84 39.509 4.144 -20.997 1.00 30.13 O ATOM 1297 OE2 GLU A 84 37.999 4.318 -22.577 1.00 13.42 O1- ATOM 0 H GLU A 84 43.473 6.223 -24.899 1.00 64.03 H new ATOM 0 HA GLU A 84 41.046 7.608 -24.055 1.00 52.21 H new ATOM 0 HB2 GLU A 84 40.525 5.095 -24.358 1.00 52.31 H new ATOM 0 HB3 GLU A 84 41.556 4.864 -22.959 1.00 52.31 H new ATOM 0 HG2 GLU A 84 40.116 6.535 -21.717 1.00 42.14 H new ATOM 0 HG3 GLU A 84 39.036 6.550 -23.097 1.00 42.14 H new ATOM 1304 N ASP A 85 42.435 6.985 -21.535 1.00 34.14 N ATOM 1305 CA ASP A 85 43.266 7.442 -20.410 1.00 62.20 C ATOM 1306 C ASP A 85 44.766 7.393 -20.739 1.00 24.11 C ATOM 1307 O ASP A 85 45.346 6.331 -20.975 1.00 63.13 O ATOM 1308 CB ASP A 85 42.962 6.623 -19.140 1.00 41.01 C ATOM 1309 CG ASP A 85 43.525 5.211 -19.167 1.00 33.33 C ATOM 1310 OD1 ASP A 85 43.033 4.375 -19.958 1.00 0.20 O ATOM 1311 OD2 ASP A 85 44.453 4.924 -18.376 1.00 54.52 O1- ATOM 0 H ASP A 85 41.609 6.458 -21.251 1.00 34.14 H new ATOM 0 HA ASP A 85 43.010 8.485 -20.225 1.00 62.20 H new ATOM 0 HB2 ASP A 85 43.367 7.148 -18.275 1.00 41.01 H new ATOM 0 HB3 ASP A 85 41.882 6.570 -19.004 1.00 41.01 H new ATOM 1316 N GLY A 86 45.377 8.566 -20.785 1.00 32.23 N ATOM 1317 CA GLY A 86 46.779 8.669 -21.142 1.00 42.34 C ATOM 1318 C GLY A 86 46.982 9.490 -22.399 1.00 60.32 C ATOM 1319 O GLY A 86 48.116 9.765 -22.798 1.00 42.55 O ATOM 0 H GLY A 86 44.924 9.457 -20.580 1.00 32.23 H new ATOM 0 HA2 GLY A 86 47.331 9.123 -20.319 1.00 42.34 H new ATOM 0 HA3 GLY A 86 47.190 7.671 -21.290 1.00 42.34 H new ATOM 1323 N ASP A 87 45.882 9.875 -23.029 1.00 21.12 N ATOM 1324 CA ASP A 87 45.932 10.748 -24.199 1.00 23.23 C ATOM 1325 C ASP A 87 46.097 12.202 -23.770 1.00 62.04 C ATOM 1326 O ASP A 87 45.842 12.553 -22.612 1.00 50.43 O ATOM 1327 CB ASP A 87 44.665 10.589 -25.048 1.00 41.43 C ATOM 1328 CG ASP A 87 44.693 11.444 -26.302 1.00 70.52 C ATOM 1329 OD1 ASP A 87 43.658 12.054 -26.633 1.00 13.22 O ATOM 1330 OD2 ASP A 87 45.766 11.522 -26.947 1.00 3.13 O1- ATOM 0 H ASP A 87 44.941 9.597 -22.751 1.00 21.12 H new ATOM 0 HA ASP A 87 46.792 10.460 -24.803 1.00 23.23 H new ATOM 0 HB2 ASP A 87 44.549 9.542 -25.329 1.00 41.43 H new ATOM 0 HB3 ASP A 87 43.795 10.857 -24.449 1.00 41.43 H new ATOM 1335 N VAL A 88 46.527 13.046 -24.697 1.00 40.21 N ATOM 1336 CA VAL A 88 46.720 14.454 -24.416 1.00 30.05 C ATOM 1337 C VAL A 88 46.015 15.307 -25.459 1.00 62.31 C ATOM 1338 O VAL A 88 45.796 14.881 -26.594 1.00 44.01 O ATOM 1339 CB VAL A 88 48.214 14.848 -24.350 1.00 1.54 C ATOM 1340 CG1 VAL A 88 48.934 14.048 -23.279 1.00 21.12 C ATOM 1341 CG2 VAL A 88 48.888 14.674 -25.698 1.00 55.10 C ATOM 0 H VAL A 88 46.749 12.774 -25.655 1.00 40.21 H new ATOM 0 HA VAL A 88 46.286 14.637 -23.433 1.00 30.05 H new ATOM 0 HB VAL A 88 48.270 15.904 -24.084 1.00 1.54 H new ATOM 0 HG11 VAL A 88 49.983 14.341 -23.250 1.00 21.12 H new ATOM 0 HG12 VAL A 88 48.476 14.243 -22.309 1.00 21.12 H new ATOM 0 HG13 VAL A 88 48.860 12.985 -23.508 1.00 21.12 H new ATOM 0 HG21 VAL A 88 49.937 14.959 -25.620 1.00 55.10 H new ATOM 0 HG22 VAL A 88 48.817 13.632 -26.008 1.00 55.10 H new ATOM 0 HG23 VAL A 88 48.394 15.306 -26.436 1.00 55.10 H new ATOM 1351 N ILE A 89 45.674 16.514 -25.064 1.00 14.43 N ATOM 1352 CA ILE A 89 44.912 17.412 -25.902 1.00 51.25 C ATOM 1353 C ILE A 89 45.577 18.777 -25.917 1.00 71.31 C ATOM 1354 O ILE A 89 45.846 19.342 -24.868 1.00 41.13 O ATOM 1355 CB ILE A 89 43.462 17.550 -25.391 1.00 64.41 C ATOM 1356 CG1 ILE A 89 42.799 16.176 -25.258 1.00 0.23 C ATOM 1357 CG2 ILE A 89 42.662 18.430 -26.329 1.00 64.41 C ATOM 1358 CD1 ILE A 89 41.406 16.224 -24.662 1.00 62.23 C ATOM 0 H ILE A 89 45.918 16.900 -24.152 1.00 14.43 H new ATOM 0 HA ILE A 89 44.883 17.001 -26.911 1.00 51.25 H new ATOM 0 HB ILE A 89 43.487 18.013 -24.405 1.00 64.41 H new ATOM 0 HG12 ILE A 89 42.747 15.711 -26.243 1.00 0.23 H new ATOM 0 HG13 ILE A 89 43.428 15.538 -24.637 1.00 0.23 H new ATOM 0 HG21 ILE A 89 41.640 18.521 -25.960 1.00 64.41 H new ATOM 0 HG22 ILE A 89 43.119 19.418 -26.379 1.00 64.41 H new ATOM 0 HG23 ILE A 89 42.650 17.985 -27.324 1.00 64.41 H new ATOM 0 HD11 ILE A 89 41.002 15.214 -24.600 1.00 62.23 H new ATOM 0 HD12 ILE A 89 41.452 16.659 -23.663 1.00 62.23 H new ATOM 0 HD13 ILE A 89 40.761 16.834 -25.294 1.00 62.23 H new ATOM 1370 N ASP A 90 45.858 19.292 -27.095 1.00 34.30 N ATOM 1371 CA ASP A 90 46.534 20.577 -27.217 1.00 21.13 C ATOM 1372 C ASP A 90 45.541 21.683 -27.518 1.00 54.30 C ATOM 1373 O ASP A 90 44.662 21.521 -28.362 1.00 1.13 O ATOM 1374 CB ASP A 90 47.581 20.517 -28.324 1.00 33.21 C ATOM 1375 CG ASP A 90 48.359 21.810 -28.468 1.00 41.43 C ATOM 1376 OD1 ASP A 90 48.486 22.314 -29.604 1.00 53.43 O ATOM 1377 OD2 ASP A 90 48.849 22.329 -27.448 1.00 21.31 O1- ATOM 0 H ASP A 90 45.631 18.846 -27.984 1.00 34.30 H new ATOM 0 HA ASP A 90 47.022 20.794 -26.267 1.00 21.13 H new ATOM 0 HB2 ASP A 90 48.275 19.702 -28.118 1.00 33.21 H new ATOM 0 HB3 ASP A 90 47.090 20.286 -29.270 1.00 33.21 H new ATOM 1382 N ALA A 91 45.667 22.795 -26.820 1.00 30.14 N ATOM 1383 CA ALA A 91 44.799 23.929 -27.058 1.00 22.54 C ATOM 1384 C ALA A 91 45.499 24.968 -27.927 1.00 62.41 C ATOM 1385 O ALA A 91 46.549 25.498 -27.562 1.00 34.40 O ATOM 1386 CB ALA A 91 44.355 24.539 -25.741 1.00 33.33 C ATOM 0 H ALA A 91 46.361 22.936 -26.086 1.00 30.14 H new ATOM 0 HA ALA A 91 43.914 23.582 -27.592 1.00 22.54 H new ATOM 0 HB1 ALA A 91 43.703 25.390 -25.936 1.00 33.33 H new ATOM 0 HB2 ALA A 91 43.814 23.793 -25.159 1.00 33.33 H new ATOM 0 HB3 ALA A 91 45.229 24.872 -25.181 1.00 33.33 H new ATOM 1392 N MET A 92 44.922 25.234 -29.089 1.00 14.35 N ATOM 1393 CA MET A 92 45.439 26.257 -29.992 1.00 13.21 C ATOM 1394 C MET A 92 44.576 27.509 -29.910 1.00 25.02 C ATOM 1395 O MET A 92 43.381 27.424 -29.625 1.00 71.52 O ATOM 1396 CB MET A 92 45.467 25.752 -31.437 1.00 64.53 C ATOM 1397 CG MET A 92 46.485 24.656 -31.688 1.00 30.25 C ATOM 1398 SD MET A 92 46.516 24.134 -33.413 1.00 45.45 S ATOM 1399 CE MET A 92 47.836 22.925 -33.373 1.00 51.31 C ATOM 0 H MET A 92 44.090 24.754 -29.432 1.00 14.35 H new ATOM 0 HA MET A 92 46.458 26.493 -29.686 1.00 13.21 H new ATOM 0 HB2 MET A 92 44.477 25.381 -31.701 1.00 64.53 H new ATOM 0 HB3 MET A 92 45.680 26.590 -32.100 1.00 64.53 H new ATOM 0 HG2 MET A 92 47.475 25.010 -31.400 1.00 30.25 H new ATOM 0 HG3 MET A 92 46.256 23.799 -31.055 1.00 30.25 H new ATOM 0 HE1 MET A 92 47.742 22.255 -34.228 1.00 51.31 H new ATOM 0 HE2 MET A 92 48.798 23.435 -33.416 1.00 51.31 H new ATOM 0 HE3 MET A 92 47.773 22.347 -32.451 1.00 51.31 H new ATOM 1409 N VAL A 93 45.172 28.661 -30.185 1.00 70.32 N ATOM 1410 CA VAL A 93 44.455 29.928 -30.112 1.00 3.20 C ATOM 1411 C VAL A 93 43.441 30.028 -31.247 1.00 75.10 C ATOM 1412 O VAL A 93 43.788 30.384 -32.376 1.00 71.31 O ATOM 1413 CB VAL A 93 45.415 31.135 -30.171 1.00 52.22 C ATOM 1414 CG1 VAL A 93 44.651 32.443 -30.010 1.00 3.43 C ATOM 1415 CG2 VAL A 93 46.499 31.005 -29.111 1.00 10.04 C ATOM 0 H VAL A 93 46.150 28.745 -30.461 1.00 70.32 H new ATOM 0 HA VAL A 93 43.938 29.953 -29.153 1.00 3.20 H new ATOM 0 HB VAL A 93 45.894 31.145 -31.150 1.00 52.22 H new ATOM 0 HG11 VAL A 93 45.348 33.280 -30.055 1.00 3.43 H new ATOM 0 HG12 VAL A 93 43.919 32.538 -30.812 1.00 3.43 H new ATOM 0 HG13 VAL A 93 44.139 32.449 -29.048 1.00 3.43 H new ATOM 0 HG21 VAL A 93 47.167 31.864 -29.167 1.00 10.04 H new ATOM 0 HG22 VAL A 93 46.039 30.966 -28.123 1.00 10.04 H new ATOM 0 HG23 VAL A 93 47.068 30.091 -29.283 1.00 10.04 H new ATOM 1425 N GLN A 94 42.194 29.666 -30.933 1.00 13.31 N ATOM 1426 CA GLN A 94 41.095 29.649 -31.899 1.00 14.42 C ATOM 1427 C GLN A 94 41.436 28.764 -33.094 1.00 61.22 C ATOM 1428 O GLN A 94 40.872 28.928 -34.172 1.00 71.22 O ATOM 1429 CB GLN A 94 40.768 31.063 -32.380 1.00 11.34 C ATOM 1430 CG GLN A 94 40.386 32.023 -31.278 1.00 20.20 C ATOM 1431 CD GLN A 94 39.883 33.344 -31.813 1.00 32.33 C ATOM 1432 OE1 GLN A 94 40.655 34.279 -32.028 1.00 74.30 O ATOM 1433 NE2 GLN A 94 38.581 33.429 -32.034 1.00 24.31 N ATOM 0 H GLN A 94 41.918 29.375 -29.995 1.00 13.31 H new ATOM 0 HA GLN A 94 40.220 29.239 -31.395 1.00 14.42 H new ATOM 0 HB2 GLN A 94 41.633 31.463 -32.910 1.00 11.34 H new ATOM 0 HB3 GLN A 94 39.950 31.009 -33.099 1.00 11.34 H new ATOM 0 HG2 GLN A 94 39.615 31.569 -30.656 1.00 20.20 H new ATOM 0 HG3 GLN A 94 41.250 32.199 -30.637 1.00 20.20 H new ATOM 0 HE21 GLN A 94 37.978 32.629 -31.842 1.00 24.31 H new ATOM 0 HE22 GLN A 94 38.181 34.294 -32.397 1.00 24.31 H new