USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=12 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 Set 1.1: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 76 ASN : amide:sc= -0.0592 X(o=-0.059,f=-0.39) USER MOD Single : A 22 HIS : no HD1:sc= -1.43! K(o=-1.4!,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 26 LYS NZ :NH3+ 136:sc= -1.03! (180deg=-3.95!) USER MOD Single : A 29 SER OG : rot -91:sc= 0.17 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+ -173:sc= 0 (180deg=-0.0521) USER MOD Single : A 43 THR OG1 : rot -58:sc= 0.101 USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= 1.16 (180deg=0.953) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -122:sc= -2.31 (180deg=-5.11!) USER MOD Single : A 52 TYR OH : rot 93:sc= -0.0531 USER MOD Single : A 53 CYS SG : rot 43:sc= -4.24! USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 58 GLN : amide:sc= -0.0936 X(o=-0.094,f=-0.32) USER MOD Single : A 59 SER OG : rot 180:sc= 0.00441 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.23) USER MOD Single : A 77 THR OG1 : rot -10:sc= 0.548 USER MOD Single : A 80 GLN : amide:sc=-0.00187 X(o=-0.0019,f=-0.0019) USER MOD Single : A 92 MET CE :methyl 165:sc= -0.0689 (180deg=-0.528) USER MOD Single : A 94 GLN : amide:sc= -1.43 K(o=-1.4,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 268 N HIS A 22 37.452 5.063 -14.214 1.00 3.23 N ATOM 269 CA HIS A 22 37.744 6.483 -14.302 1.00 12.43 C ATOM 270 C HIS A 22 38.821 6.729 -15.340 1.00 51.25 C ATOM 271 O HIS A 22 39.753 5.937 -15.478 1.00 12.05 O ATOM 272 CB HIS A 22 38.182 7.030 -12.943 1.00 71.14 C ATOM 273 CG HIS A 22 37.085 7.029 -11.925 1.00 44.35 C ATOM 274 ND1 HIS A 22 37.160 6.352 -10.727 1.00 50.21 N ATOM 275 CD2 HIS A 22 35.875 7.633 -11.936 1.00 44.15 C ATOM 276 CE1 HIS A 22 36.043 6.539 -10.050 1.00 41.13 C ATOM 277 NE2 HIS A 22 35.247 7.313 -10.761 1.00 12.14 N ATOM 0 HA HIS A 22 36.836 7.005 -14.604 1.00 12.43 H new ATOM 0 HB2 HIS A 22 39.015 6.434 -12.570 1.00 71.14 H new ATOM 0 HB3 HIS A 22 38.550 8.048 -13.070 1.00 71.14 H new ATOM 0 HD2 HIS A 22 35.477 8.253 -12.725 1.00 44.15 H new ATOM 0 HE1 HIS A 22 35.819 6.127 -9.077 1.00 41.13 H new ATOM 0 HE2 HIS A 22 34.316 7.623 -10.482 1.00 12.14 H new ATOM 286 N ILE A 23 38.687 7.826 -16.066 1.00 0.22 N ATOM 287 CA ILE A 23 39.609 8.147 -17.144 1.00 11.25 C ATOM 288 C ILE A 23 40.456 9.359 -16.752 1.00 22.25 C ATOM 289 O ILE A 23 40.120 10.080 -15.810 1.00 42.51 O ATOM 290 CB ILE A 23 38.843 8.420 -18.467 1.00 3.34 C ATOM 291 CG1 ILE A 23 37.854 7.284 -18.761 1.00 25.13 C ATOM 292 CG2 ILE A 23 39.803 8.584 -19.638 1.00 32.34 C ATOM 293 CD1 ILE A 23 38.506 5.927 -18.963 1.00 44.31 C ATOM 0 H ILE A 23 37.945 8.513 -15.928 1.00 0.22 H new ATOM 0 HA ILE A 23 40.265 7.292 -17.310 1.00 11.25 H new ATOM 0 HB ILE A 23 38.291 9.351 -18.342 1.00 3.34 H new ATOM 0 HG12 ILE A 23 37.143 7.214 -17.938 1.00 25.13 H new ATOM 0 HG13 ILE A 23 37.283 7.537 -19.654 1.00 25.13 H new ATOM 0 HG21 ILE A 23 39.236 8.774 -20.549 1.00 32.34 H new ATOM 0 HG22 ILE A 23 40.472 9.423 -19.445 1.00 32.34 H new ATOM 0 HG23 ILE A 23 40.389 7.673 -19.758 1.00 32.34 H new ATOM 0 HD11 ILE A 23 37.738 5.181 -19.166 1.00 44.31 H new ATOM 0 HD12 ILE A 23 39.195 5.976 -19.806 1.00 44.31 H new ATOM 0 HD13 ILE A 23 39.053 5.649 -18.062 1.00 44.31 H new ATOM 305 N GLN A 24 41.547 9.567 -17.461 1.00 71.43 N ATOM 306 CA GLN A 24 42.481 10.639 -17.170 1.00 11.44 C ATOM 307 C GLN A 24 42.907 11.308 -18.467 1.00 52.41 C ATOM 308 O GLN A 24 43.385 10.645 -19.386 1.00 4.25 O ATOM 309 CB GLN A 24 43.706 10.082 -16.449 1.00 34.22 C ATOM 310 CG GLN A 24 44.632 11.151 -15.898 1.00 45.54 C ATOM 311 CD GLN A 24 45.865 10.561 -15.249 1.00 43.44 C ATOM 312 OE1 GLN A 24 46.342 9.498 -15.643 1.00 20.15 O ATOM 313 NE2 GLN A 24 46.380 11.238 -14.239 1.00 11.15 N ATOM 0 H GLN A 24 41.814 8.994 -18.261 1.00 71.43 H new ATOM 0 HA GLN A 24 41.995 11.373 -16.527 1.00 11.44 H new ATOM 0 HB2 GLN A 24 43.375 9.444 -15.630 1.00 34.22 H new ATOM 0 HB3 GLN A 24 44.266 9.450 -17.139 1.00 34.22 H new ATOM 0 HG2 GLN A 24 44.933 11.819 -16.705 1.00 45.54 H new ATOM 0 HG3 GLN A 24 44.093 11.755 -15.168 1.00 45.54 H new ATOM 0 HE21 GLN A 24 45.954 12.116 -13.943 1.00 11.15 H new ATOM 0 HE22 GLN A 24 47.204 10.883 -13.754 1.00 11.15 H new ATOM 322 N VAL A 25 42.736 12.614 -18.532 1.00 72.33 N ATOM 323 CA VAL A 25 43.051 13.365 -19.737 1.00 2.21 C ATOM 324 C VAL A 25 43.905 14.581 -19.400 1.00 52.41 C ATOM 325 O VAL A 25 43.680 15.251 -18.402 1.00 50.52 O ATOM 326 CB VAL A 25 41.764 13.822 -20.459 1.00 44.32 C ATOM 327 CG1 VAL A 25 40.885 14.630 -19.516 1.00 41.00 C ATOM 328 CG2 VAL A 25 42.090 14.628 -21.711 1.00 73.23 C ATOM 0 H VAL A 25 42.379 13.181 -17.763 1.00 72.33 H new ATOM 0 HA VAL A 25 43.609 12.706 -20.402 1.00 2.21 H new ATOM 0 HB VAL A 25 41.217 12.931 -20.769 1.00 44.32 H new ATOM 0 HG11 VAL A 25 39.982 14.945 -20.040 1.00 41.00 H new ATOM 0 HG12 VAL A 25 40.611 14.016 -18.658 1.00 41.00 H new ATOM 0 HG13 VAL A 25 41.431 15.509 -19.174 1.00 41.00 H new ATOM 0 HG21 VAL A 25 41.164 14.935 -22.197 1.00 73.23 H new ATOM 0 HG22 VAL A 25 42.666 15.512 -21.435 1.00 73.23 H new ATOM 0 HG23 VAL A 25 42.674 14.014 -22.397 1.00 73.23 H new ATOM 338 N LYS A 26 44.892 14.860 -20.222 1.00 74.44 N ATOM 339 CA LYS A 26 45.731 16.023 -20.004 1.00 34.43 C ATOM 340 C LYS A 26 45.481 17.070 -21.067 1.00 4.33 C ATOM 341 O LYS A 26 45.713 16.834 -22.248 1.00 44.10 O ATOM 342 CB LYS A 26 47.201 15.627 -19.986 1.00 54.54 C ATOM 343 CG LYS A 26 47.822 15.739 -18.606 1.00 22.30 C ATOM 344 CD LYS A 26 49.290 15.332 -18.586 1.00 20.41 C ATOM 345 CE LYS A 26 49.502 13.858 -18.924 1.00 55.05 C ATOM 346 NZ LYS A 26 49.313 13.563 -20.370 1.00 31.31 N1+ ATOM 0 H LYS A 26 45.134 14.304 -21.042 1.00 74.44 H new ATOM 0 HA LYS A 26 45.475 16.449 -19.034 1.00 34.43 H new ATOM 0 HB2 LYS A 26 47.301 14.602 -20.343 1.00 54.54 H new ATOM 0 HB3 LYS A 26 47.752 16.261 -20.680 1.00 54.54 H new ATOM 0 HG2 LYS A 26 47.729 16.766 -18.253 1.00 22.30 H new ATOM 0 HG3 LYS A 26 47.266 15.111 -17.910 1.00 22.30 H new ATOM 0 HD2 LYS A 26 49.842 15.946 -19.298 1.00 20.41 H new ATOM 0 HD3 LYS A 26 49.705 15.537 -17.599 1.00 20.41 H new ATOM 0 HE2 LYS A 26 50.508 13.563 -18.627 1.00 55.05 H new ATOM 0 HE3 LYS A 26 48.807 13.253 -18.341 1.00 55.05 H new ATOM 0 HZ1 LYS A 26 50.074 12.935 -20.699 1.00 31.31 H new ATOM 0 HZ2 LYS A 26 48.394 13.097 -20.512 1.00 31.31 H new ATOM 0 HZ3 LYS A 26 49.339 14.450 -20.912 1.00 31.31 H new ATOM 360 N VAL A 27 45.025 18.238 -20.652 1.00 15.45 N ATOM 361 CA VAL A 27 44.758 19.292 -21.579 1.00 72.53 C ATOM 362 C VAL A 27 45.983 20.168 -21.627 1.00 72.32 C ATOM 363 O VAL A 27 46.281 20.900 -20.681 1.00 14.32 O ATOM 364 CB VAL A 27 43.498 20.110 -21.196 1.00 61.10 C ATOM 365 CG1 VAL A 27 43.339 21.322 -22.101 1.00 55.43 C ATOM 366 CG2 VAL A 27 42.262 19.227 -21.273 1.00 73.33 C ATOM 0 H VAL A 27 44.836 18.468 -19.677 1.00 15.45 H new ATOM 0 HA VAL A 27 44.545 18.870 -22.561 1.00 72.53 H new ATOM 0 HB VAL A 27 43.618 20.467 -20.173 1.00 61.10 H new ATOM 0 HG11 VAL A 27 42.448 21.878 -21.811 1.00 55.43 H new ATOM 0 HG12 VAL A 27 44.215 21.964 -22.006 1.00 55.43 H new ATOM 0 HG13 VAL A 27 43.241 20.993 -23.136 1.00 55.43 H new ATOM 0 HG21 VAL A 27 41.381 19.809 -21.002 1.00 73.33 H new ATOM 0 HG22 VAL A 27 42.148 18.848 -22.289 1.00 73.33 H new ATOM 0 HG23 VAL A 27 42.369 18.390 -20.583 1.00 73.33 H new ATOM 376 N ARG A 28 46.729 20.034 -22.704 1.00 64.53 N ATOM 377 CA ARG A 28 47.935 20.795 -22.871 1.00 65.22 C ATOM 378 C ARG A 28 47.552 22.227 -23.088 1.00 63.41 C ATOM 379 O ARG A 28 46.934 22.575 -24.096 1.00 71.22 O ATOM 380 CB ARG A 28 48.749 20.277 -24.056 1.00 24.25 C ATOM 381 CG ARG A 28 49.974 21.114 -24.380 1.00 22.13 C ATOM 382 CD ARG A 28 50.677 20.577 -25.611 1.00 44.34 C ATOM 383 NE ARG A 28 51.938 21.269 -25.879 1.00 65.10 N ATOM 384 CZ ARG A 28 52.073 22.303 -26.713 1.00 45.54 C ATOM 385 NH1 ARG A 28 51.027 22.795 -27.358 1.00 33.24 N1+ ATOM 386 NH2 ARG A 28 53.268 22.839 -26.908 1.00 23.30 N ATOM 0 H ARG A 28 46.515 19.402 -23.475 1.00 64.53 H new ATOM 0 HA ARG A 28 48.558 20.699 -21.982 1.00 65.22 H new ATOM 0 HB2 ARG A 28 49.065 19.255 -23.847 1.00 24.25 H new ATOM 0 HB3 ARG A 28 48.106 20.238 -24.935 1.00 24.25 H new ATOM 0 HG2 ARG A 28 49.680 22.150 -24.546 1.00 22.13 H new ATOM 0 HG3 ARG A 28 50.659 21.109 -23.532 1.00 22.13 H new ATOM 0 HD2 ARG A 28 50.871 19.512 -25.480 1.00 44.34 H new ATOM 0 HD3 ARG A 28 50.020 20.678 -26.475 1.00 44.34 H new ATOM 0 HE ARG A 28 52.773 20.938 -25.395 1.00 65.10 H new ATOM 0 HH11 ARG A 28 50.104 22.384 -27.221 1.00 33.24 H new ATOM 0 HH12 ARG A 28 51.144 23.585 -27.992 1.00 33.24 H new ATOM 0 HH21 ARG A 28 54.082 22.462 -26.422 1.00 23.30 H new ATOM 0 HH22 ARG A 28 53.375 23.629 -27.544 1.00 23.30 H new ATOM 400 N SER A 29 47.845 23.042 -22.102 1.00 62.33 N ATOM 401 CA SER A 29 47.570 24.447 -22.220 1.00 61.53 C ATOM 402 C SER A 29 48.356 25.004 -23.415 1.00 72.53 C ATOM 403 O SER A 29 49.339 24.384 -23.837 1.00 31.23 O ATOM 404 CB SER A 29 47.943 25.168 -20.924 1.00 54.21 C ATOM 405 OG SER A 29 49.300 24.940 -20.590 1.00 31.13 O ATOM 0 H SER A 29 48.269 22.757 -21.219 1.00 62.33 H new ATOM 0 HA SER A 29 46.505 24.608 -22.390 1.00 61.53 H new ATOM 0 HB2 SER A 29 47.767 26.238 -21.035 1.00 54.21 H new ATOM 0 HB3 SER A 29 47.302 24.822 -20.113 1.00 54.21 H new ATOM 0 HG SER A 29 49.366 24.154 -20.008 1.00 31.13 H new ATOM 411 N PRO A 30 47.954 26.166 -23.968 1.00 15.42 N ATOM 412 CA PRO A 30 48.555 26.734 -25.198 1.00 23.11 C ATOM 413 C PRO A 30 50.048 27.085 -25.090 1.00 5.11 C ATOM 414 O PRO A 30 50.555 27.898 -25.863 1.00 72.52 O ATOM 415 CB PRO A 30 47.740 28.011 -25.438 1.00 45.42 C ATOM 416 CG PRO A 30 47.126 28.335 -24.122 1.00 63.25 C ATOM 417 CD PRO A 30 46.867 27.017 -23.455 1.00 61.25 C ATOM 0 HA PRO A 30 48.518 26.000 -26.003 1.00 23.11 H new ATOM 0 HB2 PRO A 30 48.376 28.824 -25.787 1.00 45.42 H new ATOM 0 HB3 PRO A 30 46.977 27.854 -26.200 1.00 45.42 H new ATOM 0 HG2 PRO A 30 47.793 28.953 -23.521 1.00 63.25 H new ATOM 0 HG3 PRO A 30 46.201 28.897 -24.250 1.00 63.25 H new ATOM 0 HD2 PRO A 30 46.899 27.101 -22.369 1.00 61.25 H new ATOM 0 HD3 PRO A 30 45.886 26.619 -23.715 1.00 61.25 H new ATOM 425 N ASP A 31 50.753 26.467 -24.155 1.00 62.14 N ATOM 426 CA ASP A 31 52.178 26.710 -23.985 1.00 43.34 C ATOM 427 C ASP A 31 52.944 25.399 -23.884 1.00 13.04 C ATOM 428 O ASP A 31 54.135 25.333 -24.196 1.00 21.24 O ATOM 429 CB ASP A 31 52.440 27.566 -22.745 1.00 0.44 C ATOM 430 CG ASP A 31 53.919 27.808 -22.515 1.00 63.12 C ATOM 431 OD1 ASP A 31 54.487 27.206 -21.579 1.00 44.23 O ATOM 432 OD2 ASP A 31 54.526 28.593 -23.275 1.00 12.51 O1- ATOM 0 H ASP A 31 50.360 25.791 -23.500 1.00 62.14 H new ATOM 0 HA ASP A 31 52.530 27.251 -24.863 1.00 43.34 H new ATOM 0 HB2 ASP A 31 51.930 28.523 -22.853 1.00 0.44 H new ATOM 0 HB3 ASP A 31 52.014 27.074 -21.870 1.00 0.44 H new ATOM 437 N GLY A 32 52.253 24.350 -23.473 1.00 1.23 N ATOM 438 CA GLY A 32 52.909 23.080 -23.256 1.00 64.22 C ATOM 439 C GLY A 32 52.855 22.652 -21.808 1.00 54.14 C ATOM 440 O GLY A 32 53.416 21.625 -21.432 1.00 43.15 O ATOM 0 H GLY A 32 51.250 24.355 -23.286 1.00 1.23 H new ATOM 0 HA2 GLY A 32 52.437 22.318 -23.876 1.00 64.22 H new ATOM 0 HA3 GLY A 32 53.949 23.151 -23.574 1.00 64.22 H new ATOM 444 N ALA A 33 52.191 23.448 -20.986 1.00 1.31 N ATOM 445 CA ALA A 33 51.980 23.086 -19.597 1.00 44.21 C ATOM 446 C ALA A 33 50.768 22.174 -19.497 1.00 14.20 C ATOM 447 O ALA A 33 49.637 22.635 -19.346 1.00 2.30 O ATOM 448 CB ALA A 33 51.804 24.324 -18.729 1.00 42.23 C ATOM 0 H ALA A 33 51.790 24.346 -21.257 1.00 1.31 H new ATOM 0 HA ALA A 33 52.859 22.556 -19.229 1.00 44.21 H new ATOM 0 HB1 ALA A 33 51.648 24.023 -17.693 1.00 42.23 H new ATOM 0 HB2 ALA A 33 52.697 24.945 -18.795 1.00 42.23 H new ATOM 0 HB3 ALA A 33 50.941 24.892 -19.076 1.00 42.23 H new ATOM 454 N GLU A 34 51.008 20.884 -19.631 1.00 63.03 N ATOM 455 CA GLU A 34 49.940 19.909 -19.673 1.00 51.32 C ATOM 456 C GLU A 34 49.494 19.558 -18.262 1.00 22.55 C ATOM 457 O GLU A 34 50.254 18.978 -17.488 1.00 43.25 O ATOM 458 CB GLU A 34 50.434 18.671 -20.413 1.00 4.31 C ATOM 459 CG GLU A 34 49.363 17.929 -21.181 1.00 43.11 C ATOM 460 CD GLU A 34 49.949 16.858 -22.075 1.00 11.42 C ATOM 461 OE1 GLU A 34 50.181 15.734 -21.587 1.00 70.41 O ATOM 462 OE2 GLU A 34 50.204 17.143 -23.262 1.00 0.35 O1- ATOM 0 H GLU A 34 51.943 20.486 -19.713 1.00 63.03 H new ATOM 0 HA GLU A 34 49.080 20.322 -20.200 1.00 51.32 H new ATOM 0 HB2 GLU A 34 51.221 18.968 -21.107 1.00 4.31 H new ATOM 0 HB3 GLU A 34 50.885 17.989 -19.693 1.00 4.31 H new ATOM 0 HG2 GLU A 34 48.663 17.474 -20.480 1.00 43.11 H new ATOM 0 HG3 GLU A 34 48.794 18.636 -21.786 1.00 43.11 H new ATOM 469 N VAL A 35 48.268 19.928 -17.928 1.00 72.24 N ATOM 470 CA VAL A 35 47.734 19.668 -16.602 1.00 1.04 C ATOM 471 C VAL A 35 46.776 18.486 -16.657 1.00 15.44 C ATOM 472 O VAL A 35 45.940 18.394 -17.564 1.00 34.34 O ATOM 473 CB VAL A 35 47.006 20.904 -16.025 1.00 73.02 C ATOM 474 CG1 VAL A 35 46.559 20.656 -14.591 1.00 43.24 C ATOM 475 CG2 VAL A 35 47.889 22.141 -16.103 1.00 72.21 C ATOM 0 H VAL A 35 47.625 20.409 -18.557 1.00 72.24 H new ATOM 0 HA VAL A 35 48.572 19.437 -15.944 1.00 1.04 H new ATOM 0 HB VAL A 35 46.118 21.079 -16.632 1.00 73.02 H new ATOM 0 HG11 VAL A 35 46.050 21.541 -14.210 1.00 43.24 H new ATOM 0 HG12 VAL A 35 45.877 19.806 -14.564 1.00 43.24 H new ATOM 0 HG13 VAL A 35 47.429 20.443 -13.970 1.00 43.24 H new ATOM 0 HG21 VAL A 35 47.354 22.997 -15.691 1.00 72.21 H new ATOM 0 HG22 VAL A 35 48.801 21.974 -15.530 1.00 72.21 H new ATOM 0 HG23 VAL A 35 48.145 22.340 -17.144 1.00 72.21 H new ATOM 485 N PHE A 36 46.917 17.573 -15.705 1.00 22.41 N ATOM 486 CA PHE A 36 46.131 16.353 -15.707 1.00 15.50 C ATOM 487 C PHE A 36 44.725 16.593 -15.175 1.00 3.00 C ATOM 488 O PHE A 36 44.524 17.073 -14.057 1.00 12.52 O ATOM 489 CB PHE A 36 46.838 15.232 -14.926 1.00 12.44 C ATOM 490 CG PHE A 36 47.171 15.559 -13.494 1.00 61.13 C ATOM 491 CD1 PHE A 36 46.370 15.098 -12.459 1.00 3.24 C ATOM 492 CD2 PHE A 36 48.290 16.319 -13.180 1.00 5.12 C ATOM 493 CE1 PHE A 36 46.677 15.386 -11.145 1.00 63.02 C ATOM 494 CE2 PHE A 36 48.599 16.612 -11.865 1.00 41.31 C ATOM 495 CZ PHE A 36 47.793 16.145 -10.847 1.00 34.21 C ATOM 0 H PHE A 36 47.568 17.657 -14.924 1.00 22.41 H new ATOM 0 HA PHE A 36 46.037 16.028 -16.743 1.00 15.50 H new ATOM 0 HB2 PHE A 36 46.204 14.345 -14.941 1.00 12.44 H new ATOM 0 HB3 PHE A 36 47.760 14.974 -15.447 1.00 12.44 H new ATOM 0 HD1 PHE A 36 45.495 14.506 -12.685 1.00 3.24 H new ATOM 0 HD2 PHE A 36 48.926 16.685 -13.972 1.00 5.12 H new ATOM 0 HE1 PHE A 36 46.046 15.018 -10.350 1.00 63.02 H new ATOM 0 HE2 PHE A 36 49.471 17.206 -11.634 1.00 41.31 H new ATOM 0 HZ PHE A 36 48.034 16.372 -9.819 1.00 34.21 H new ATOM 505 N PHE A 37 43.763 16.280 -16.016 1.00 25.01 N ATOM 506 CA PHE A 37 42.363 16.349 -15.667 1.00 62.04 C ATOM 507 C PHE A 37 41.792 14.937 -15.748 1.00 14.13 C ATOM 508 O PHE A 37 42.493 14.008 -16.152 1.00 31.45 O ATOM 509 CB PHE A 37 41.611 17.322 -16.581 1.00 14.23 C ATOM 510 CG PHE A 37 40.269 17.727 -16.042 1.00 31.32 C ATOM 511 CD1 PHE A 37 40.162 18.330 -14.798 1.00 22.33 C ATOM 512 CD2 PHE A 37 39.119 17.503 -16.774 1.00 54.35 C ATOM 513 CE1 PHE A 37 38.929 18.698 -14.296 1.00 21.44 C ATOM 514 CE2 PHE A 37 37.883 17.870 -16.278 1.00 51.45 C ATOM 515 CZ PHE A 37 37.788 18.468 -15.038 1.00 44.14 C ATOM 0 H PHE A 37 43.934 15.967 -16.972 1.00 25.01 H new ATOM 0 HA PHE A 37 42.245 16.734 -14.654 1.00 62.04 H new ATOM 0 HB2 PHE A 37 42.219 18.214 -16.729 1.00 14.23 H new ATOM 0 HB3 PHE A 37 41.478 16.861 -17.560 1.00 14.23 H new ATOM 0 HD1 PHE A 37 41.052 18.514 -14.215 1.00 22.33 H new ATOM 0 HD2 PHE A 37 39.187 17.036 -17.745 1.00 54.35 H new ATOM 0 HE1 PHE A 37 38.858 19.165 -13.325 1.00 21.44 H new ATOM 0 HE2 PHE A 37 36.992 17.689 -16.860 1.00 51.45 H new ATOM 0 HZ PHE A 37 36.823 18.756 -14.649 1.00 44.14 H new ATOM 525 N LYS A 38 40.549 14.753 -15.357 1.00 43.23 N ATOM 526 CA LYS A 38 40.030 13.415 -15.155 1.00 35.22 C ATOM 527 C LYS A 38 38.639 13.272 -15.744 1.00 51.03 C ATOM 528 O LYS A 38 37.900 14.251 -15.866 1.00 30.24 O ATOM 529 CB LYS A 38 40.011 13.106 -13.657 1.00 15.03 C ATOM 530 CG LYS A 38 39.147 14.072 -12.862 1.00 64.22 C ATOM 531 CD LYS A 38 39.760 14.404 -11.510 1.00 33.25 C ATOM 532 CE LYS A 38 39.861 13.186 -10.608 1.00 40.42 C ATOM 533 NZ LYS A 38 40.652 13.480 -9.385 1.00 40.01 N1+ ATOM 0 H LYS A 38 39.884 15.504 -15.174 1.00 43.23 H new ATOM 0 HA LYS A 38 40.678 12.704 -15.667 1.00 35.22 H new ATOM 0 HB2 LYS A 38 39.645 12.091 -13.506 1.00 15.03 H new ATOM 0 HB3 LYS A 38 41.030 13.138 -13.272 1.00 15.03 H new ATOM 0 HG2 LYS A 38 39.010 14.990 -13.433 1.00 64.22 H new ATOM 0 HG3 LYS A 38 38.158 13.637 -12.715 1.00 64.22 H new ATOM 0 HD2 LYS A 38 40.754 14.827 -11.658 1.00 33.25 H new ATOM 0 HD3 LYS A 38 39.158 15.168 -11.019 1.00 33.25 H new ATOM 0 HE2 LYS A 38 38.861 12.857 -10.326 1.00 40.42 H new ATOM 0 HE3 LYS A 38 40.325 12.365 -11.154 1.00 40.42 H new ATOM 0 HZ1 LYS A 38 40.702 12.628 -8.791 1.00 40.01 H new ATOM 0 HZ2 LYS A 38 41.613 13.771 -9.655 1.00 40.01 H new ATOM 0 HZ3 LYS A 38 40.195 14.247 -8.852 1.00 40.01 H new ATOM 547 N ILE A 39 38.296 12.049 -16.110 1.00 41.44 N ATOM 548 CA ILE A 39 36.963 11.732 -16.577 1.00 3.01 C ATOM 549 C ILE A 39 36.310 10.778 -15.583 1.00 15.21 C ATOM 550 O ILE A 39 36.937 9.818 -15.129 1.00 30.24 O ATOM 551 CB ILE A 39 36.983 11.104 -17.989 1.00 12.45 C ATOM 552 CG1 ILE A 39 37.711 12.034 -18.966 1.00 11.22 C ATOM 553 CG2 ILE A 39 35.567 10.834 -18.472 1.00 43.02 C ATOM 554 CD1 ILE A 39 37.798 11.493 -20.377 1.00 42.02 C ATOM 0 H ILE A 39 38.933 11.253 -16.091 1.00 41.44 H new ATOM 0 HA ILE A 39 36.389 12.656 -16.646 1.00 3.01 H new ATOM 0 HB ILE A 39 37.516 10.155 -17.942 1.00 12.45 H new ATOM 0 HG12 ILE A 39 37.199 12.996 -18.987 1.00 11.22 H new ATOM 0 HG13 ILE A 39 38.719 12.218 -18.595 1.00 11.22 H new ATOM 0 HG21 ILE A 39 35.600 10.392 -19.468 1.00 43.02 H new ATOM 0 HG22 ILE A 39 35.074 10.146 -17.786 1.00 43.02 H new ATOM 0 HG23 ILE A 39 35.011 11.770 -18.509 1.00 43.02 H new ATOM 0 HD11 ILE A 39 38.326 12.207 -21.009 1.00 42.02 H new ATOM 0 HD12 ILE A 39 38.337 10.546 -20.371 1.00 42.02 H new ATOM 0 HD13 ILE A 39 36.793 11.336 -20.769 1.00 42.02 H new ATOM 566 N LYS A 40 35.061 11.043 -15.238 1.00 5.12 N ATOM 567 CA LYS A 40 34.400 10.308 -14.164 1.00 34.14 C ATOM 568 C LYS A 40 33.065 9.749 -14.634 1.00 65.10 C ATOM 569 O LYS A 40 32.834 8.539 -14.589 1.00 60.22 O ATOM 570 CB LYS A 40 34.208 11.229 -12.954 1.00 24.04 C ATOM 571 CG LYS A 40 35.511 11.859 -12.479 1.00 24.31 C ATOM 572 CD LYS A 40 35.285 12.902 -11.397 1.00 53.32 C ATOM 573 CE LYS A 40 34.816 12.278 -10.094 1.00 24.33 C ATOM 574 NZ LYS A 40 34.683 13.295 -9.017 1.00 41.13 N1+ ATOM 0 H LYS A 40 34.484 11.757 -15.681 1.00 5.12 H new ATOM 0 HA LYS A 40 35.028 9.466 -13.873 1.00 34.14 H new ATOM 0 HB2 LYS A 40 33.501 12.018 -13.212 1.00 24.04 H new ATOM 0 HB3 LYS A 40 33.766 10.660 -12.136 1.00 24.04 H new ATOM 0 HG2 LYS A 40 36.171 11.080 -12.098 1.00 24.31 H new ATOM 0 HG3 LYS A 40 36.019 12.321 -13.326 1.00 24.31 H new ATOM 0 HD2 LYS A 40 36.211 13.451 -11.224 1.00 53.32 H new ATOM 0 HD3 LYS A 40 34.545 13.625 -11.740 1.00 53.32 H new ATOM 0 HE2 LYS A 40 33.856 11.785 -10.251 1.00 24.33 H new ATOM 0 HE3 LYS A 40 35.523 11.508 -9.783 1.00 24.33 H new ATOM 0 HZ1 LYS A 40 34.361 12.834 -8.142 1.00 41.13 H new ATOM 0 HZ2 LYS A 40 35.605 13.748 -8.851 1.00 41.13 H new ATOM 0 HZ3 LYS A 40 33.990 14.016 -9.304 1.00 41.13 H new ATOM 588 N ARG A 41 32.188 10.635 -15.076 1.00 61.11 N ATOM 589 CA ARG A 41 30.926 10.228 -15.674 1.00 55.41 C ATOM 590 C ARG A 41 31.104 10.200 -17.182 1.00 11.40 C ATOM 591 O ARG A 41 32.189 10.526 -17.669 1.00 73.11 O ATOM 592 CB ARG A 41 29.813 11.212 -15.293 1.00 22.45 C ATOM 593 CG ARG A 41 29.694 11.455 -13.797 1.00 52.54 C ATOM 594 CD ARG A 41 29.311 10.186 -13.053 1.00 73.40 C ATOM 595 NE ARG A 41 27.941 9.773 -13.345 1.00 54.01 N ATOM 596 CZ ARG A 41 27.216 8.995 -12.545 1.00 61.02 C ATOM 597 NH1 ARG A 41 27.724 8.549 -11.402 1.00 20.44 N1+ ATOM 598 NH2 ARG A 41 25.977 8.671 -12.884 1.00 0.21 N ATOM 0 H ARG A 41 32.327 11.645 -15.032 1.00 61.11 H new ATOM 0 HA ARG A 41 30.643 9.241 -15.309 1.00 55.41 H new ATOM 0 HB2 ARG A 41 29.995 12.163 -15.793 1.00 22.45 H new ATOM 0 HB3 ARG A 41 28.862 10.833 -15.667 1.00 22.45 H new ATOM 0 HG2 ARG A 41 30.642 11.831 -13.412 1.00 52.54 H new ATOM 0 HG3 ARG A 41 28.946 12.226 -13.611 1.00 52.54 H new ATOM 0 HD2 ARG A 41 29.997 9.384 -13.326 1.00 73.40 H new ATOM 0 HD3 ARG A 41 29.420 10.348 -11.981 1.00 73.40 H new ATOM 0 HE ARG A 41 27.515 10.100 -14.212 1.00 54.01 H new ATOM 0 HH11 ARG A 41 28.675 8.802 -11.133 1.00 20.44 H new ATOM 0 HH12 ARG A 41 27.163 7.953 -10.793 1.00 20.44 H new ATOM 0 HH21 ARG A 41 25.580 9.018 -13.757 1.00 0.21 H new ATOM 0 HH22 ARG A 41 25.420 8.075 -12.272 1.00 0.21 H new ATOM 612 N LYS A 42 30.081 9.809 -17.932 1.00 54.02 N ATOM 613 CA LYS A 42 30.169 9.919 -19.380 1.00 62.15 C ATOM 614 C LYS A 42 30.281 11.391 -19.762 1.00 3.33 C ATOM 615 O LYS A 42 29.312 12.149 -19.738 1.00 72.44 O ATOM 616 CB LYS A 42 29.001 9.210 -20.098 1.00 51.35 C ATOM 617 CG LYS A 42 27.598 9.634 -19.671 1.00 53.14 C ATOM 618 CD LYS A 42 27.012 10.681 -20.611 1.00 3.24 C ATOM 619 CE LYS A 42 25.571 11.011 -20.264 1.00 73.02 C ATOM 620 NZ LYS A 42 24.648 9.899 -20.611 1.00 32.32 N1+ ATOM 0 H LYS A 42 29.206 9.424 -17.575 1.00 54.02 H new ATOM 0 HA LYS A 42 31.066 9.400 -19.717 1.00 62.15 H new ATOM 0 HB2 LYS A 42 29.101 9.382 -21.170 1.00 51.35 H new ATOM 0 HB3 LYS A 42 29.100 8.136 -19.937 1.00 51.35 H new ATOM 0 HG2 LYS A 42 26.946 8.761 -19.648 1.00 53.14 H new ATOM 0 HG3 LYS A 42 27.632 10.034 -18.658 1.00 53.14 H new ATOM 0 HD2 LYS A 42 27.614 11.589 -20.564 1.00 3.24 H new ATOM 0 HD3 LYS A 42 27.064 10.317 -21.637 1.00 3.24 H new ATOM 0 HE2 LYS A 42 25.495 11.227 -19.198 1.00 73.02 H new ATOM 0 HE3 LYS A 42 25.268 11.914 -20.795 1.00 73.02 H new ATOM 0 HZ1 LYS A 42 23.665 10.207 -20.470 1.00 32.32 H new ATOM 0 HZ2 LYS A 42 24.787 9.630 -21.606 1.00 32.32 H new ATOM 0 HZ3 LYS A 42 24.845 9.081 -20.000 1.00 32.32 H new ATOM 634 N THR A 43 31.495 11.806 -20.051 1.00 11.20 N ATOM 635 CA THR A 43 31.769 13.193 -20.331 1.00 30.45 C ATOM 636 C THR A 43 32.740 13.322 -21.488 1.00 71.22 C ATOM 637 O THR A 43 33.939 13.084 -21.344 1.00 12.31 O ATOM 638 CB THR A 43 32.312 13.919 -19.082 1.00 43.34 C ATOM 639 OG1 THR A 43 33.137 13.037 -18.308 1.00 31.45 O ATOM 640 CG2 THR A 43 31.170 14.435 -18.219 1.00 44.42 C ATOM 0 H THR A 43 32.311 11.196 -20.098 1.00 11.20 H new ATOM 0 HA THR A 43 30.830 13.669 -20.612 1.00 30.45 H new ATOM 0 HB THR A 43 32.910 14.765 -19.419 1.00 43.34 H new ATOM 0 HG1 THR A 43 32.616 12.251 -18.041 1.00 31.45 H new ATOM 0 HG21 THR A 43 31.576 14.943 -17.344 1.00 44.42 H new ATOM 0 HG22 THR A 43 30.565 15.134 -18.796 1.00 44.42 H new ATOM 0 HG23 THR A 43 30.550 13.598 -17.897 1.00 44.42 H new ATOM 648 N LYS A 44 32.194 13.647 -22.648 1.00 62.32 N ATOM 649 CA LYS A 44 32.997 13.860 -23.840 1.00 25.23 C ATOM 650 C LYS A 44 33.847 15.121 -23.715 1.00 4.31 C ATOM 651 O LYS A 44 33.829 15.797 -22.684 1.00 45.53 O ATOM 652 CB LYS A 44 32.110 13.912 -25.090 1.00 50.13 C ATOM 653 CG LYS A 44 30.720 14.488 -24.859 1.00 21.31 C ATOM 654 CD LYS A 44 29.876 14.399 -26.123 1.00 45.42 C ATOM 655 CE LYS A 44 28.384 14.466 -25.827 1.00 25.02 C ATOM 656 NZ LYS A 44 27.987 15.734 -25.163 1.00 21.22 N1+ ATOM 0 H LYS A 44 31.191 13.770 -22.790 1.00 62.32 H new ATOM 0 HA LYS A 44 33.677 13.014 -23.943 1.00 25.23 H new ATOM 0 HB2 LYS A 44 32.613 14.507 -25.852 1.00 50.13 H new ATOM 0 HB3 LYS A 44 32.009 12.903 -25.489 1.00 50.13 H new ATOM 0 HG2 LYS A 44 30.228 13.948 -24.050 1.00 21.31 H new ATOM 0 HG3 LYS A 44 30.801 15.528 -24.544 1.00 21.31 H new ATOM 0 HD2 LYS A 44 30.147 15.212 -26.797 1.00 45.42 H new ATOM 0 HD3 LYS A 44 30.100 13.467 -26.642 1.00 45.42 H new ATOM 0 HE2 LYS A 44 27.828 14.359 -26.758 1.00 25.02 H new ATOM 0 HE3 LYS A 44 28.106 13.625 -25.191 1.00 25.02 H new ATOM 0 HZ1 LYS A 44 26.950 15.810 -25.152 1.00 21.22 H new ATOM 0 HZ2 LYS A 44 28.345 15.741 -24.186 1.00 21.22 H new ATOM 0 HZ3 LYS A 44 28.388 16.539 -25.685 1.00 21.22 H new ATOM 670 N LEU A 45 34.568 15.443 -24.785 1.00 35.14 N ATOM 671 CA LEU A 45 35.580 16.500 -24.764 1.00 14.24 C ATOM 672 C LEU A 45 35.003 17.835 -24.297 1.00 21.03 C ATOM 673 O LEU A 45 35.721 18.659 -23.737 1.00 72.43 O ATOM 674 CB LEU A 45 36.194 16.665 -26.155 1.00 45.14 C ATOM 675 CG LEU A 45 36.748 15.383 -26.788 1.00 62.15 C ATOM 676 CD1 LEU A 45 37.309 15.669 -28.170 1.00 1.23 C ATOM 677 CD2 LEU A 45 37.817 14.756 -25.903 1.00 32.21 C ATOM 0 H LEU A 45 34.469 14.982 -25.689 1.00 35.14 H new ATOM 0 HA LEU A 45 36.349 16.201 -24.052 1.00 14.24 H new ATOM 0 HB2 LEU A 45 35.437 17.080 -26.820 1.00 45.14 H new ATOM 0 HB3 LEU A 45 37.000 17.396 -26.093 1.00 45.14 H new ATOM 0 HG LEU A 45 35.926 14.674 -26.885 1.00 62.15 H new ATOM 0 HD11 LEU A 45 37.697 14.747 -28.603 1.00 1.23 H new ATOM 0 HD12 LEU A 45 36.519 16.065 -28.808 1.00 1.23 H new ATOM 0 HD13 LEU A 45 38.114 16.400 -28.092 1.00 1.23 H new ATOM 0 HD21 LEU A 45 38.193 13.848 -26.375 1.00 32.21 H new ATOM 0 HD22 LEU A 45 38.637 15.461 -25.767 1.00 32.21 H new ATOM 0 HD23 LEU A 45 37.387 14.509 -24.932 1.00 32.21 H new ATOM 689 N GLU A 46 33.706 18.028 -24.515 1.00 23.02 N ATOM 690 CA GLU A 46 33.033 19.276 -24.164 1.00 4.12 C ATOM 691 C GLU A 46 33.179 19.589 -22.673 1.00 12.14 C ATOM 692 O GLU A 46 33.319 20.746 -22.279 1.00 22.14 O ATOM 693 CB GLU A 46 31.559 19.192 -24.549 1.00 14.42 C ATOM 694 CG GLU A 46 31.347 18.768 -25.995 1.00 64.54 C ATOM 695 CD GLU A 46 29.891 18.747 -26.396 1.00 23.41 C ATOM 696 OE1 GLU A 46 29.120 17.969 -25.804 1.00 71.11 O ATOM 697 OE2 GLU A 46 29.516 19.497 -27.320 1.00 72.42 O1- ATOM 0 H GLU A 46 33.094 17.329 -24.937 1.00 23.02 H new ATOM 0 HA GLU A 46 33.505 20.087 -24.718 1.00 4.12 H new ATOM 0 HB2 GLU A 46 31.057 18.483 -23.891 1.00 14.42 H new ATOM 0 HB3 GLU A 46 31.091 20.163 -24.388 1.00 14.42 H new ATOM 0 HG2 GLU A 46 31.889 19.449 -26.651 1.00 64.54 H new ATOM 0 HG3 GLU A 46 31.773 17.776 -26.143 1.00 64.54 H new ATOM 704 N LYS A 47 33.170 18.551 -21.850 1.00 62.41 N ATOM 705 CA LYS A 47 33.346 18.709 -20.417 1.00 33.34 C ATOM 706 C LYS A 47 34.779 19.123 -20.103 1.00 42.22 C ATOM 707 O LYS A 47 35.018 20.128 -19.437 1.00 54.00 O ATOM 708 CB LYS A 47 32.997 17.392 -19.721 1.00 45.33 C ATOM 709 CG LYS A 47 33.480 17.278 -18.284 1.00 32.31 C ATOM 710 CD LYS A 47 32.892 18.355 -17.391 1.00 42.23 C ATOM 711 CE LYS A 47 33.103 18.003 -15.929 1.00 42.04 C ATOM 712 NZ LYS A 47 32.687 19.095 -15.009 1.00 24.31 N1+ ATOM 0 H LYS A 47 33.042 17.586 -22.154 1.00 62.41 H new ATOM 0 HA LYS A 47 32.683 19.493 -20.051 1.00 33.34 H new ATOM 0 HB2 LYS A 47 31.914 17.266 -19.736 1.00 45.33 H new ATOM 0 HB3 LYS A 47 33.421 16.570 -20.298 1.00 45.33 H new ATOM 0 HG2 LYS A 47 33.213 16.297 -17.890 1.00 32.31 H new ATOM 0 HG3 LYS A 47 34.568 17.345 -18.262 1.00 32.31 H new ATOM 0 HD2 LYS A 47 33.359 19.315 -17.612 1.00 42.23 H new ATOM 0 HD3 LYS A 47 31.827 18.465 -17.595 1.00 42.23 H new ATOM 0 HE2 LYS A 47 32.540 17.100 -15.692 1.00 42.04 H new ATOM 0 HE3 LYS A 47 34.156 17.775 -15.763 1.00 42.04 H new ATOM 0 HZ1 LYS A 47 32.853 18.802 -14.025 1.00 24.31 H new ATOM 0 HZ2 LYS A 47 33.241 19.951 -15.213 1.00 24.31 H new ATOM 0 HZ3 LYS A 47 31.676 19.297 -15.145 1.00 24.31 H new ATOM 726 N LEU A 48 35.721 18.354 -20.626 1.00 14.11 N ATOM 727 CA LEU A 48 37.142 18.556 -20.365 1.00 44.42 C ATOM 728 C LEU A 48 37.614 19.913 -20.882 1.00 0.14 C ATOM 729 O LEU A 48 38.541 20.508 -20.335 1.00 70.35 O ATOM 730 CB LEU A 48 37.928 17.429 -21.033 1.00 44.10 C ATOM 731 CG LEU A 48 37.424 16.022 -20.695 1.00 40.42 C ATOM 732 CD1 LEU A 48 38.072 14.988 -21.600 1.00 3.42 C ATOM 733 CD2 LEU A 48 37.685 15.694 -19.236 1.00 0.32 C ATOM 0 H LEU A 48 35.523 17.569 -21.246 1.00 14.11 H new ATOM 0 HA LEU A 48 37.312 18.542 -19.288 1.00 44.42 H new ATOM 0 HB2 LEU A 48 37.890 17.566 -22.114 1.00 44.10 H new ATOM 0 HB3 LEU A 48 38.975 17.508 -20.739 1.00 44.10 H new ATOM 0 HG LEU A 48 36.347 15.997 -20.863 1.00 40.42 H new ATOM 0 HD11 LEU A 48 37.700 13.996 -21.343 1.00 3.42 H new ATOM 0 HD12 LEU A 48 37.828 15.209 -22.639 1.00 3.42 H new ATOM 0 HD13 LEU A 48 39.154 15.016 -21.468 1.00 3.42 H new ATOM 0 HD21 LEU A 48 37.319 14.691 -19.018 1.00 0.32 H new ATOM 0 HD22 LEU A 48 38.756 15.741 -19.038 1.00 0.32 H new ATOM 0 HD23 LEU A 48 37.167 16.415 -18.603 1.00 0.32 H new ATOM 745 N MET A 49 36.953 20.411 -21.920 1.00 43.23 N ATOM 746 CA MET A 49 37.360 21.664 -22.541 1.00 60.12 C ATOM 747 C MET A 49 36.742 22.863 -21.815 1.00 53.42 C ATOM 748 O MET A 49 37.402 23.888 -21.641 1.00 5.35 O ATOM 749 CB MET A 49 37.000 21.677 -24.038 1.00 51.40 C ATOM 750 CG MET A 49 35.511 21.794 -24.337 1.00 63.31 C ATOM 751 SD MET A 49 35.084 21.262 -26.010 1.00 50.54 S ATOM 752 CE MET A 49 36.145 22.302 -27.008 1.00 11.13 C ATOM 0 H MET A 49 36.138 19.970 -22.347 1.00 43.23 H new ATOM 0 HA MET A 49 38.444 21.746 -22.456 1.00 60.12 H new ATOM 0 HB2 MET A 49 37.518 22.509 -24.514 1.00 51.40 H new ATOM 0 HB3 MET A 49 37.377 20.763 -24.496 1.00 51.40 H new ATOM 0 HG2 MET A 49 34.953 21.195 -23.617 1.00 63.31 H new ATOM 0 HG3 MET A 49 35.199 22.829 -24.200 1.00 63.31 H new ATOM 0 HE1 MET A 49 35.536 22.889 -27.695 1.00 11.13 H new ATOM 0 HE2 MET A 49 36.711 22.972 -26.361 1.00 11.13 H new ATOM 0 HE3 MET A 49 36.835 21.679 -27.576 1.00 11.13 H new ATOM 762 N GLU A 50 35.493 22.724 -21.361 1.00 62.40 N ATOM 763 CA GLU A 50 34.800 23.822 -20.681 1.00 61.02 C ATOM 764 C GLU A 50 35.372 24.080 -19.296 1.00 64.22 C ATOM 765 O GLU A 50 35.350 25.213 -18.809 1.00 60.03 O ATOM 766 CB GLU A 50 33.303 23.548 -20.571 1.00 62.50 C ATOM 767 CG GLU A 50 32.509 23.966 -21.796 1.00 60.44 C ATOM 768 CD GLU A 50 32.418 25.473 -21.931 1.00 51.34 C ATOM 769 OE1 GLU A 50 31.895 26.123 -20.998 1.00 24.22 O ATOM 770 OE2 GLU A 50 32.850 26.013 -22.966 1.00 23.12 O1- ATOM 0 H GLU A 50 34.944 21.869 -21.451 1.00 62.40 H new ATOM 0 HA GLU A 50 34.955 24.713 -21.290 1.00 61.02 H new ATOM 0 HB2 GLU A 50 33.150 22.483 -20.397 1.00 62.50 H new ATOM 0 HB3 GLU A 50 32.911 24.072 -19.700 1.00 62.50 H new ATOM 0 HG2 GLU A 50 32.976 23.550 -22.689 1.00 60.44 H new ATOM 0 HG3 GLU A 50 31.505 23.547 -21.737 1.00 60.44 H new ATOM 777 N VAL A 51 35.880 23.040 -18.655 1.00 23.21 N ATOM 778 CA VAL A 51 36.510 23.204 -17.355 1.00 24.13 C ATOM 779 C VAL A 51 37.733 24.098 -17.487 1.00 13.12 C ATOM 780 O VAL A 51 37.998 24.945 -16.633 1.00 53.21 O ATOM 781 CB VAL A 51 36.915 21.851 -16.732 1.00 43.11 C ATOM 782 CG1 VAL A 51 37.621 22.053 -15.399 1.00 70.21 C ATOM 783 CG2 VAL A 51 35.693 20.965 -16.553 1.00 72.35 C ATOM 0 H VAL A 51 35.869 22.083 -19.009 1.00 23.21 H new ATOM 0 HA VAL A 51 35.781 23.666 -16.690 1.00 24.13 H new ATOM 0 HB VAL A 51 37.610 21.359 -17.413 1.00 43.11 H new ATOM 0 HG11 VAL A 51 37.895 21.084 -14.982 1.00 70.21 H new ATOM 0 HG12 VAL A 51 38.520 22.651 -15.550 1.00 70.21 H new ATOM 0 HG13 VAL A 51 36.954 22.569 -14.709 1.00 70.21 H new ATOM 0 HG21 VAL A 51 35.994 20.014 -16.113 1.00 72.35 H new ATOM 0 HG22 VAL A 51 34.978 21.459 -15.895 1.00 72.35 H new ATOM 0 HG23 VAL A 51 35.229 20.785 -17.523 1.00 72.35 H new ATOM 793 N TYR A 52 38.453 23.939 -18.587 1.00 25.31 N ATOM 794 CA TYR A 52 39.620 24.758 -18.841 1.00 60.25 C ATOM 795 C TYR A 52 39.224 26.131 -19.372 1.00 22.34 C ATOM 796 O TYR A 52 39.975 27.090 -19.215 1.00 70.03 O ATOM 797 CB TYR A 52 40.600 24.045 -19.770 1.00 50.21 C ATOM 798 CG TYR A 52 41.470 23.056 -19.028 1.00 54.44 C ATOM 799 CD1 TYR A 52 41.006 21.785 -18.712 1.00 10.40 C ATOM 800 CD2 TYR A 52 42.747 23.412 -18.613 1.00 35.44 C ATOM 801 CE1 TYR A 52 41.792 20.894 -18.006 1.00 44.31 C ATOM 802 CE2 TYR A 52 43.541 22.526 -17.913 1.00 2.44 C ATOM 803 CZ TYR A 52 43.057 21.271 -17.608 1.00 61.10 C ATOM 804 OH TYR A 52 43.839 20.392 -16.896 1.00 70.14 O ATOM 0 H TYR A 52 38.248 23.252 -19.313 1.00 25.31 H new ATOM 0 HA TYR A 52 40.134 24.918 -17.893 1.00 60.25 H new ATOM 0 HB2 TYR A 52 40.045 23.525 -20.551 1.00 50.21 H new ATOM 0 HB3 TYR A 52 41.232 24.783 -20.265 1.00 50.21 H new ATOM 0 HD1 TYR A 52 40.015 21.489 -19.023 1.00 10.40 H new ATOM 0 HD2 TYR A 52 43.125 24.398 -18.842 1.00 35.44 H new ATOM 0 HE1 TYR A 52 41.418 19.909 -17.768 1.00 44.31 H new ATOM 0 HE2 TYR A 52 44.536 22.814 -17.606 1.00 2.44 H new ATOM 0 HH TYR A 52 44.409 19.887 -17.513 1.00 70.14 H new ATOM 814 N CYS A 53 38.046 26.227 -19.992 1.00 62.33 N ATOM 815 CA CYS A 53 37.483 27.524 -20.347 1.00 41.30 C ATOM 816 C CYS A 53 37.411 28.412 -19.111 1.00 4.33 C ATOM 817 O CYS A 53 37.859 29.559 -19.120 1.00 34.34 O ATOM 818 CB CYS A 53 36.090 27.360 -20.952 1.00 62.10 C ATOM 819 SG CYS A 53 36.054 26.348 -22.446 1.00 24.41 S ATOM 0 H CYS A 53 37.470 25.427 -20.255 1.00 62.33 H new ATOM 0 HA CYS A 53 38.129 27.991 -21.090 1.00 41.30 H new ATOM 0 HB2 CYS A 53 35.432 26.913 -20.207 1.00 62.10 H new ATOM 0 HB3 CYS A 53 35.687 28.346 -21.183 1.00 62.10 H new ATOM 0 HG CYS A 53 36.813 25.305 -22.282 1.00 24.41 H new ATOM 825 N ASN A 54 36.871 27.852 -18.036 1.00 31.24 N ATOM 826 CA ASN A 54 36.758 28.564 -16.769 1.00 23.21 C ATOM 827 C ASN A 54 38.126 28.712 -16.105 1.00 50.15 C ATOM 828 O ASN A 54 38.450 29.764 -15.558 1.00 44.41 O ATOM 829 CB ASN A 54 35.797 27.821 -15.834 1.00 60.32 C ATOM 830 CG ASN A 54 35.708 28.449 -14.454 1.00 62.25 C ATOM 831 OD1 ASN A 54 36.458 28.093 -13.545 1.00 53.02 O ATOM 832 ND2 ASN A 54 34.790 29.387 -14.288 1.00 23.34 N ATOM 0 H ASN A 54 36.502 26.901 -18.017 1.00 31.24 H new ATOM 0 HA ASN A 54 36.364 29.561 -16.969 1.00 23.21 H new ATOM 0 HB2 ASN A 54 34.804 27.802 -16.283 1.00 60.32 H new ATOM 0 HB3 ASN A 54 36.122 26.785 -15.736 1.00 60.32 H new ATOM 0 HD21 ASN A 54 34.685 29.843 -13.382 1.00 23.34 H new ATOM 0 HD22 ASN A 54 34.187 29.654 -15.066 1.00 23.34 H new ATOM 839 N ARG A 55 38.928 27.655 -16.175 1.00 12.20 N ATOM 840 CA ARG A 55 40.226 27.622 -15.507 1.00 42.42 C ATOM 841 C ARG A 55 41.196 28.642 -16.106 1.00 32.14 C ATOM 842 O ARG A 55 41.865 29.374 -15.378 1.00 34.11 O ATOM 843 CB ARG A 55 40.823 26.212 -15.589 1.00 23.13 C ATOM 844 CG ARG A 55 42.070 26.032 -14.744 1.00 12.33 C ATOM 845 CD ARG A 55 42.539 24.587 -14.726 1.00 14.04 C ATOM 846 NE ARG A 55 43.583 24.379 -13.726 1.00 32.42 N ATOM 847 CZ ARG A 55 43.917 23.193 -13.223 1.00 13.03 C ATOM 848 NH1 ARG A 55 43.356 22.083 -13.689 1.00 74.42 N1+ ATOM 849 NH2 ARG A 55 44.820 23.125 -12.254 1.00 31.52 N ATOM 0 H ARG A 55 38.701 26.805 -16.691 1.00 12.20 H new ATOM 0 HA ARG A 55 40.070 27.889 -14.462 1.00 42.42 H new ATOM 0 HB2 ARG A 55 40.071 25.489 -15.272 1.00 23.13 H new ATOM 0 HB3 ARG A 55 41.063 25.988 -16.628 1.00 23.13 H new ATOM 0 HG2 ARG A 55 42.866 26.667 -15.132 1.00 12.33 H new ATOM 0 HG3 ARG A 55 41.868 26.361 -13.725 1.00 12.33 H new ATOM 0 HD2 ARG A 55 41.694 23.931 -14.515 1.00 14.04 H new ATOM 0 HD3 ARG A 55 42.917 24.313 -15.711 1.00 14.04 H new ATOM 0 HE ARG A 55 44.090 25.198 -13.391 1.00 32.42 H new ATOM 0 HH11 ARG A 55 42.665 22.136 -14.437 1.00 74.42 H new ATOM 0 HH12 ARG A 55 43.617 21.177 -13.299 1.00 74.42 H new ATOM 0 HH21 ARG A 55 45.253 23.978 -11.900 1.00 31.52 H new ATOM 0 HH22 ARG A 55 45.081 22.220 -11.863 1.00 31.52 H new ATOM 863 N LEU A 56 41.260 28.700 -17.427 1.00 75.42 N ATOM 864 CA LEU A 56 42.204 29.580 -18.104 1.00 60.21 C ATOM 865 C LEU A 56 41.619 30.972 -18.302 1.00 22.05 C ATOM 866 O LEU A 56 42.338 31.914 -18.633 1.00 73.52 O ATOM 867 CB LEU A 56 42.610 28.991 -19.456 1.00 50.30 C ATOM 868 CG LEU A 56 43.310 27.632 -19.392 1.00 25.35 C ATOM 869 CD1 LEU A 56 43.603 27.117 -20.793 1.00 0.31 C ATOM 870 CD2 LEU A 56 44.596 27.729 -18.579 1.00 31.13 C ATOM 0 H LEU A 56 40.671 28.150 -18.052 1.00 75.42 H new ATOM 0 HA LEU A 56 43.087 29.666 -17.471 1.00 60.21 H new ATOM 0 HB2 LEU A 56 41.718 28.893 -20.074 1.00 50.30 H new ATOM 0 HB3 LEU A 56 43.270 29.698 -19.959 1.00 50.30 H new ATOM 0 HG LEU A 56 42.643 26.926 -18.897 1.00 25.35 H new ATOM 0 HD11 LEU A 56 44.101 26.150 -20.728 1.00 0.31 H new ATOM 0 HD12 LEU A 56 42.669 27.008 -21.343 1.00 0.31 H new ATOM 0 HD13 LEU A 56 44.250 27.824 -21.313 1.00 0.31 H new ATOM 0 HD21 LEU A 56 45.079 26.753 -18.545 1.00 31.13 H new ATOM 0 HD22 LEU A 56 45.267 28.450 -19.045 1.00 31.13 H new ATOM 0 HD23 LEU A 56 44.362 28.054 -17.565 1.00 31.13 H new ATOM 882 N GLY A 57 40.310 31.095 -18.112 1.00 1.41 N ATOM 883 CA GLY A 57 39.654 32.377 -18.288 1.00 43.53 C ATOM 884 C GLY A 57 39.352 32.662 -19.746 1.00 60.04 C ATOM 885 O GLY A 57 38.976 33.779 -20.110 1.00 13.12 O ATOM 0 H GLY A 57 39.692 30.331 -17.840 1.00 1.41 H new ATOM 0 HA2 GLY A 57 38.727 32.392 -17.716 1.00 43.53 H new ATOM 0 HA3 GLY A 57 40.289 33.168 -17.887 1.00 43.53 H new ATOM 889 N GLN A 58 39.514 31.644 -20.577 1.00 5.23 N ATOM 890 CA GLN A 58 39.264 31.763 -22.001 1.00 75.33 C ATOM 891 C GLN A 58 38.438 30.571 -22.460 1.00 45.23 C ATOM 892 O GLN A 58 38.781 29.429 -22.165 1.00 23.22 O ATOM 893 CB GLN A 58 40.588 31.810 -22.763 1.00 11.42 C ATOM 894 CG GLN A 58 40.437 32.202 -24.219 1.00 44.44 C ATOM 895 CD GLN A 58 40.022 33.651 -24.386 1.00 61.21 C ATOM 896 OE1 GLN A 58 38.835 33.971 -24.402 1.00 43.03 O ATOM 897 NE2 GLN A 58 40.997 34.534 -24.523 1.00 21.11 N ATOM 0 H GLN A 58 39.821 30.717 -20.283 1.00 5.23 H new ATOM 0 HA GLN A 58 38.717 32.684 -22.201 1.00 75.33 H new ATOM 0 HB2 GLN A 58 41.255 32.519 -22.272 1.00 11.42 H new ATOM 0 HB3 GLN A 58 41.065 30.832 -22.707 1.00 11.42 H new ATOM 0 HG2 GLN A 58 41.381 32.035 -24.737 1.00 44.44 H new ATOM 0 HG3 GLN A 58 39.696 31.558 -24.691 1.00 44.44 H new ATOM 0 HE21 GLN A 58 41.970 34.227 -24.504 1.00 21.11 H new ATOM 0 HE22 GLN A 58 40.776 35.522 -24.648 1.00 21.11 H new ATOM 906 N SER A 59 37.360 30.832 -23.184 1.00 14.32 N ATOM 907 CA SER A 59 36.434 29.777 -23.559 1.00 21.14 C ATOM 908 C SER A 59 36.895 29.017 -24.800 1.00 30.15 C ATOM 909 O SER A 59 37.740 29.487 -25.561 1.00 21.13 O ATOM 910 CB SER A 59 35.039 30.355 -23.773 1.00 31.20 C ATOM 911 OG SER A 59 35.072 31.447 -24.678 1.00 0.21 O ATOM 0 H SER A 59 37.107 31.761 -23.522 1.00 14.32 H new ATOM 0 HA SER A 59 36.405 29.060 -22.738 1.00 21.14 H new ATOM 0 HB2 SER A 59 34.376 29.580 -24.157 1.00 31.20 H new ATOM 0 HB3 SER A 59 34.627 30.682 -22.818 1.00 31.20 H new ATOM 0 HG SER A 59 34.165 31.799 -24.800 1.00 0.21 H new ATOM 917 N MET A 60 36.302 27.848 -25.000 1.00 4.23 N ATOM 918 CA MET A 60 36.693 26.929 -26.065 1.00 54.32 C ATOM 919 C MET A 60 36.386 27.487 -27.456 1.00 62.24 C ATOM 920 O MET A 60 36.886 26.981 -28.464 1.00 52.30 O ATOM 921 CB MET A 60 36.014 25.568 -25.851 1.00 53.34 C ATOM 922 CG MET A 60 34.489 25.612 -25.798 1.00 74.42 C ATOM 923 SD MET A 60 33.719 25.832 -27.415 1.00 3.20 S ATOM 924 CE MET A 60 31.985 25.831 -26.966 1.00 21.54 C ATOM 0 H MET A 60 35.531 27.507 -24.426 1.00 4.23 H new ATOM 0 HA MET A 60 37.774 26.801 -26.017 1.00 54.32 H new ATOM 0 HB2 MET A 60 36.316 24.897 -26.655 1.00 53.34 H new ATOM 0 HB3 MET A 60 36.383 25.136 -24.921 1.00 53.34 H new ATOM 0 HG2 MET A 60 34.122 24.687 -25.352 1.00 74.42 H new ATOM 0 HG3 MET A 60 34.179 26.426 -25.143 1.00 74.42 H new ATOM 0 HE1 MET A 60 31.377 25.958 -27.862 1.00 21.54 H new ATOM 0 HE2 MET A 60 31.733 24.884 -26.488 1.00 21.54 H new ATOM 0 HE3 MET A 60 31.788 26.650 -26.274 1.00 21.54 H new ATOM 934 N GLU A 61 35.553 28.515 -27.516 1.00 23.42 N ATOM 935 CA GLU A 61 35.240 29.163 -28.780 1.00 74.42 C ATOM 936 C GLU A 61 36.267 30.254 -29.091 1.00 75.51 C ATOM 937 O GLU A 61 36.228 30.876 -30.150 1.00 20.42 O ATOM 938 CB GLU A 61 33.826 29.744 -28.744 1.00 42.44 C ATOM 939 CG GLU A 61 33.553 30.630 -27.540 1.00 61.05 C ATOM 940 CD GLU A 61 32.168 31.236 -27.572 1.00 11.12 C ATOM 941 OE1 GLU A 61 32.026 32.365 -28.088 1.00 22.14 O ATOM 942 OE2 GLU A 61 31.213 30.587 -27.099 1.00 34.12 O1- ATOM 0 H GLU A 61 35.082 28.918 -26.706 1.00 23.42 H new ATOM 0 HA GLU A 61 35.284 28.417 -29.574 1.00 74.42 H new ATOM 0 HB2 GLU A 61 33.658 30.322 -29.653 1.00 42.44 H new ATOM 0 HB3 GLU A 61 33.107 28.925 -28.750 1.00 42.44 H new ATOM 0 HG2 GLU A 61 33.669 30.045 -26.628 1.00 61.05 H new ATOM 0 HG3 GLU A 61 34.295 31.428 -27.504 1.00 61.05 H new ATOM 949 N ALA A 62 37.175 30.473 -28.147 1.00 52.12 N ATOM 950 CA ALA A 62 38.249 31.441 -28.288 1.00 65.21 C ATOM 951 C ALA A 62 39.590 30.716 -28.282 1.00 34.10 C ATOM 952 O ALA A 62 40.585 31.207 -28.817 1.00 64.00 O ATOM 953 CB ALA A 62 38.185 32.483 -27.182 1.00 61.24 C ATOM 0 H ALA A 62 37.184 29.978 -27.255 1.00 52.12 H new ATOM 0 HA ALA A 62 38.136 31.965 -29.237 1.00 65.21 H new ATOM 0 HB1 ALA A 62 38.999 33.197 -27.308 1.00 61.24 H new ATOM 0 HB2 ALA A 62 37.231 33.007 -27.231 1.00 61.24 H new ATOM 0 HB3 ALA A 62 38.280 31.992 -26.214 1.00 61.24 H new ATOM 959 N VAL A 63 39.610 29.551 -27.647 1.00 73.13 N ATOM 960 CA VAL A 63 40.733 28.633 -27.748 1.00 24.42 C ATOM 961 C VAL A 63 40.235 27.260 -28.193 1.00 55.34 C ATOM 962 O VAL A 63 39.447 26.618 -27.503 1.00 73.14 O ATOM 963 CB VAL A 63 41.536 28.506 -26.426 1.00 61.35 C ATOM 964 CG1 VAL A 63 42.339 29.770 -26.168 1.00 71.21 C ATOM 965 CG2 VAL A 63 40.627 28.212 -25.242 1.00 55.25 C ATOM 0 H VAL A 63 38.852 29.219 -27.051 1.00 73.13 H new ATOM 0 HA VAL A 63 41.417 29.045 -28.490 1.00 24.42 H new ATOM 0 HB VAL A 63 42.220 27.665 -26.538 1.00 61.35 H new ATOM 0 HG11 VAL A 63 42.896 29.664 -25.237 1.00 71.21 H new ATOM 0 HG12 VAL A 63 43.035 29.933 -26.991 1.00 71.21 H new ATOM 0 HG13 VAL A 63 41.663 30.621 -26.091 1.00 71.21 H new ATOM 0 HG21 VAL A 63 41.226 28.130 -24.335 1.00 55.25 H new ATOM 0 HG22 VAL A 63 39.905 29.020 -25.128 1.00 55.25 H new ATOM 0 HG23 VAL A 63 40.098 27.274 -25.413 1.00 55.25 H new ATOM 975 N ARG A 64 40.692 26.818 -29.355 1.00 62.12 N ATOM 976 CA ARG A 64 40.209 25.581 -29.939 1.00 22.32 C ATOM 977 C ARG A 64 41.040 24.418 -29.427 1.00 10.41 C ATOM 978 O ARG A 64 42.257 24.528 -29.301 1.00 51.14 O ATOM 979 CB ARG A 64 40.273 25.637 -31.466 1.00 54.44 C ATOM 980 CG ARG A 64 39.606 24.448 -32.140 1.00 13.01 C ATOM 981 CD ARG A 64 38.143 24.724 -32.476 1.00 42.55 C ATOM 982 NE ARG A 64 37.359 25.150 -31.313 1.00 31.25 N ATOM 983 CZ ARG A 64 36.057 24.896 -31.161 1.00 15.00 C ATOM 984 NH1 ARG A 64 35.415 24.152 -32.052 1.00 3.51 N1+ ATOM 985 NH2 ARG A 64 35.403 25.378 -30.112 1.00 70.22 N ATOM 0 H ARG A 64 41.398 27.300 -29.911 1.00 62.12 H new ATOM 0 HA ARG A 64 39.168 25.442 -29.647 1.00 22.32 H new ATOM 0 HB2 ARG A 64 39.796 26.555 -31.809 1.00 54.44 H new ATOM 0 HB3 ARG A 64 41.316 25.684 -31.778 1.00 54.44 H new ATOM 0 HG2 ARG A 64 40.147 24.200 -33.053 1.00 13.01 H new ATOM 0 HG3 ARG A 64 39.669 23.579 -31.486 1.00 13.01 H new ATOM 0 HD2 ARG A 64 38.092 25.496 -33.244 1.00 42.55 H new ATOM 0 HD3 ARG A 64 37.697 23.824 -32.898 1.00 42.55 H new ATOM 0 HE ARG A 64 37.836 25.671 -30.577 1.00 31.25 H new ATOM 0 HH11 ARG A 64 35.916 23.773 -32.855 1.00 3.51 H new ATOM 0 HH12 ARG A 64 34.420 23.959 -31.934 1.00 3.51 H new ATOM 0 HH21 ARG A 64 35.895 25.944 -29.420 1.00 70.22 H new ATOM 0 HH22 ARG A 64 34.408 25.183 -29.997 1.00 70.22 H new ATOM 999 N PHE A 65 40.375 23.317 -29.141 1.00 1.01 N ATOM 1000 CA PHE A 65 41.036 22.162 -28.565 1.00 71.14 C ATOM 1001 C PHE A 65 41.305 21.092 -29.620 1.00 51.04 C ATOM 1002 O PHE A 65 40.386 20.582 -30.263 1.00 10.13 O ATOM 1003 CB PHE A 65 40.191 21.592 -27.420 1.00 12.02 C ATOM 1004 CG PHE A 65 40.141 22.483 -26.207 1.00 4.35 C ATOM 1005 CD1 PHE A 65 39.322 23.597 -26.179 1.00 23.21 C ATOM 1006 CD2 PHE A 65 40.916 22.201 -25.093 1.00 74.42 C ATOM 1007 CE1 PHE A 65 39.276 24.413 -25.065 1.00 40.23 C ATOM 1008 CE2 PHE A 65 40.873 23.015 -23.976 1.00 32.51 C ATOM 1009 CZ PHE A 65 40.053 24.122 -23.962 1.00 22.21 C ATOM 0 H PHE A 65 39.374 23.197 -29.298 1.00 1.01 H new ATOM 0 HA PHE A 65 42.000 22.482 -28.169 1.00 71.14 H new ATOM 0 HB2 PHE A 65 39.176 21.423 -27.778 1.00 12.02 H new ATOM 0 HB3 PHE A 65 40.593 20.621 -27.131 1.00 12.02 H new ATOM 0 HD1 PHE A 65 38.711 23.832 -27.038 1.00 23.21 H new ATOM 0 HD2 PHE A 65 41.561 21.335 -25.097 1.00 74.42 H new ATOM 0 HE1 PHE A 65 38.631 25.279 -25.057 1.00 40.23 H new ATOM 0 HE2 PHE A 65 41.482 22.783 -23.115 1.00 32.51 H new ATOM 0 HZ PHE A 65 40.018 24.760 -23.091 1.00 22.21 H new ATOM 1019 N LEU A 66 42.579 20.793 -29.806 1.00 3.44 N ATOM 1020 CA LEU A 66 43.019 19.716 -30.680 1.00 54.44 C ATOM 1021 C LEU A 66 43.336 18.495 -29.831 1.00 3.34 C ATOM 1022 O LEU A 66 44.127 18.585 -28.900 1.00 63.15 O ATOM 1023 CB LEU A 66 44.277 20.128 -31.470 1.00 43.35 C ATOM 1024 CG LEU A 66 44.070 21.128 -32.615 1.00 33.23 C ATOM 1025 CD1 LEU A 66 43.632 22.491 -32.100 1.00 0.12 C ATOM 1026 CD2 LEU A 66 45.341 21.255 -33.443 1.00 53.02 C ATOM 0 H LEU A 66 43.343 21.293 -29.352 1.00 3.44 H new ATOM 0 HA LEU A 66 42.224 19.491 -31.391 1.00 54.44 H new ATOM 0 HB2 LEU A 66 44.995 20.555 -30.770 1.00 43.35 H new ATOM 0 HB3 LEU A 66 44.731 19.227 -31.882 1.00 43.35 H new ATOM 0 HG LEU A 66 43.271 20.744 -33.249 1.00 33.23 H new ATOM 0 HD11 LEU A 66 43.496 23.171 -32.941 1.00 0.12 H new ATOM 0 HD12 LEU A 66 42.691 22.390 -31.559 1.00 0.12 H new ATOM 0 HD13 LEU A 66 44.395 22.889 -31.431 1.00 0.12 H new ATOM 0 HD21 LEU A 66 45.179 21.968 -34.252 1.00 53.02 H new ATOM 0 HD22 LEU A 66 46.155 21.605 -32.808 1.00 53.02 H new ATOM 0 HD23 LEU A 66 45.600 20.283 -33.863 1.00 53.02 H new ATOM 1038 N TYR A 67 42.766 17.344 -30.142 1.00 31.41 N ATOM 1039 CA TYR A 67 42.970 16.199 -29.280 1.00 20.11 C ATOM 1040 C TYR A 67 44.007 15.265 -29.883 1.00 74.01 C ATOM 1041 O TYR A 67 43.907 14.859 -31.045 1.00 2.22 O ATOM 1042 CB TYR A 67 41.644 15.476 -28.964 1.00 43.11 C ATOM 1043 CG TYR A 67 41.292 14.311 -29.869 1.00 44.31 C ATOM 1044 CD1 TYR A 67 41.454 13.001 -29.430 1.00 53.11 C ATOM 1045 CD2 TYR A 67 40.789 14.511 -31.148 1.00 43.34 C ATOM 1046 CE1 TYR A 67 41.128 11.930 -30.239 1.00 20.14 C ATOM 1047 CE2 TYR A 67 40.461 13.444 -31.964 1.00 70.41 C ATOM 1048 CZ TYR A 67 40.632 12.155 -31.503 1.00 13.14 C ATOM 1049 OH TYR A 67 40.306 11.088 -32.308 1.00 73.41 O ATOM 0 H TYR A 67 42.177 17.181 -30.959 1.00 31.41 H new ATOM 0 HA TYR A 67 43.356 16.553 -28.324 1.00 20.11 H new ATOM 0 HB2 TYR A 67 41.686 15.113 -27.937 1.00 43.11 H new ATOM 0 HB3 TYR A 67 40.835 16.205 -29.011 1.00 43.11 H new ATOM 0 HD1 TYR A 67 41.842 12.818 -28.439 1.00 53.11 H new ATOM 0 HD2 TYR A 67 40.652 15.518 -31.512 1.00 43.34 H new ATOM 0 HE1 TYR A 67 41.262 10.920 -29.881 1.00 20.14 H new ATOM 0 HE2 TYR A 67 40.073 13.619 -32.957 1.00 70.41 H new ATOM 0 HH TYR A 67 39.969 11.417 -33.167 1.00 73.41 H new ATOM 1059 N ASP A 68 45.037 14.985 -29.088 1.00 41.34 N ATOM 1060 CA ASP A 68 46.192 14.202 -29.529 1.00 70.30 C ATOM 1061 C ASP A 68 46.813 14.831 -30.777 1.00 63.40 C ATOM 1062 O ASP A 68 47.393 14.150 -31.620 1.00 15.11 O ATOM 1063 CB ASP A 68 45.788 12.748 -29.790 1.00 75.51 C ATOM 1064 CG ASP A 68 46.981 11.815 -29.888 1.00 2.14 C ATOM 1065 OD1 ASP A 68 47.140 11.153 -30.936 1.00 32.21 O ATOM 1066 OD2 ASP A 68 47.762 11.733 -28.917 1.00 31.41 O1- ATOM 0 H ASP A 68 45.096 15.295 -28.118 1.00 41.34 H new ATOM 0 HA ASP A 68 46.940 14.206 -28.737 1.00 70.30 H new ATOM 0 HB2 ASP A 68 45.132 12.409 -28.989 1.00 75.51 H new ATOM 0 HB3 ASP A 68 45.214 12.696 -30.715 1.00 75.51 H new ATOM 1071 N GLY A 69 46.683 16.150 -30.883 1.00 73.33 N ATOM 1072 CA GLY A 69 47.262 16.867 -32.000 1.00 31.22 C ATOM 1073 C GLY A 69 46.286 17.087 -33.141 1.00 61.52 C ATOM 1074 O GLY A 69 46.646 17.676 -34.160 1.00 60.14 O ATOM 0 H GLY A 69 46.185 16.735 -30.212 1.00 73.33 H new ATOM 0 HA2 GLY A 69 47.628 17.833 -31.653 1.00 31.22 H new ATOM 0 HA3 GLY A 69 48.125 16.314 -32.370 1.00 31.22 H new ATOM 1078 N ASP A 70 45.050 16.619 -32.991 1.00 53.11 N ATOM 1079 CA ASP A 70 44.061 16.778 -34.052 1.00 72.13 C ATOM 1080 C ASP A 70 42.770 17.397 -33.521 1.00 44.24 C ATOM 1081 O ASP A 70 42.088 16.825 -32.676 1.00 64.30 O ATOM 1082 CB ASP A 70 43.765 15.430 -34.709 1.00 12.43 C ATOM 1083 CG ASP A 70 43.123 15.586 -36.070 1.00 51.11 C ATOM 1084 OD1 ASP A 70 41.882 15.610 -36.156 1.00 0.21 O ATOM 1085 OD2 ASP A 70 43.865 15.686 -37.069 1.00 51.24 O1- ATOM 0 H ASP A 70 44.713 16.134 -32.159 1.00 53.11 H new ATOM 0 HA ASP A 70 44.479 17.455 -34.798 1.00 72.13 H new ATOM 0 HB2 ASP A 70 44.692 14.865 -34.809 1.00 12.43 H new ATOM 0 HB3 ASP A 70 43.106 14.850 -34.063 1.00 12.43 H new ATOM 1090 N ARG A 71 42.464 18.583 -34.022 1.00 22.42 N ATOM 1091 CA ARG A 71 41.253 19.323 -33.656 1.00 4.53 C ATOM 1092 C ARG A 71 39.983 18.630 -34.132 1.00 73.24 C ATOM 1093 O ARG A 71 39.909 18.143 -35.258 1.00 53.50 O ATOM 1094 CB ARG A 71 41.321 20.741 -34.239 1.00 35.54 C ATOM 1095 CG ARG A 71 41.693 20.777 -35.714 1.00 31.51 C ATOM 1096 CD ARG A 71 41.990 22.192 -36.184 1.00 31.40 C ATOM 1097 NE ARG A 71 42.434 22.226 -37.577 1.00 41.13 N ATOM 1098 CZ ARG A 71 43.119 23.233 -38.119 1.00 30.34 C ATOM 1099 NH1 ARG A 71 43.460 24.283 -37.382 1.00 31.45 N1+ ATOM 1100 NH2 ARG A 71 43.469 23.184 -39.397 1.00 61.14 N ATOM 0 H ARG A 71 43.050 19.069 -34.701 1.00 22.42 H new ATOM 0 HA ARG A 71 41.211 19.365 -32.568 1.00 4.53 H new ATOM 0 HB2 ARG A 71 40.354 21.226 -34.105 1.00 35.54 H new ATOM 0 HB3 ARG A 71 42.051 21.322 -33.675 1.00 35.54 H new ATOM 0 HG2 ARG A 71 42.565 20.146 -35.885 1.00 31.51 H new ATOM 0 HG3 ARG A 71 40.878 20.361 -36.305 1.00 31.51 H new ATOM 0 HD2 ARG A 71 41.096 22.806 -36.074 1.00 31.40 H new ATOM 0 HD3 ARG A 71 42.759 22.631 -35.548 1.00 31.40 H new ATOM 0 HE ARG A 71 42.205 21.429 -38.171 1.00 41.13 H new ATOM 0 HH11 ARG A 71 43.198 24.321 -36.397 1.00 31.45 H new ATOM 0 HH12 ARG A 71 43.984 25.051 -37.801 1.00 31.45 H new ATOM 0 HH21 ARG A 71 43.214 22.376 -39.965 1.00 61.14 H new ATOM 0 HH22 ARG A 71 43.993 23.954 -39.812 1.00 61.14 H new ATOM 1114 N ILE A 72 38.977 18.612 -33.268 1.00 75.30 N ATOM 1115 CA ILE A 72 37.695 18.014 -33.597 1.00 23.12 C ATOM 1116 C ILE A 72 36.627 18.509 -32.618 1.00 21.23 C ATOM 1117 O ILE A 72 36.954 19.082 -31.578 1.00 74.34 O ATOM 1118 CB ILE A 72 37.778 16.467 -33.560 1.00 62.51 C ATOM 1119 CG1 ILE A 72 36.568 15.830 -34.250 1.00 50.23 C ATOM 1120 CG2 ILE A 72 37.888 15.972 -32.127 1.00 14.53 C ATOM 1121 CD1 ILE A 72 36.460 16.168 -35.721 1.00 62.02 C ATOM 0 H ILE A 72 39.027 19.008 -32.329 1.00 75.30 H new ATOM 0 HA ILE A 72 37.423 18.313 -34.609 1.00 23.12 H new ATOM 0 HB ILE A 72 38.674 16.169 -34.104 1.00 62.51 H new ATOM 0 HG12 ILE A 72 36.625 14.747 -34.138 1.00 50.23 H new ATOM 0 HG13 ILE A 72 35.659 16.155 -33.744 1.00 50.23 H new ATOM 0 HG21 ILE A 72 37.945 14.884 -32.121 1.00 14.53 H new ATOM 0 HG22 ILE A 72 38.786 16.385 -31.667 1.00 14.53 H new ATOM 0 HG23 ILE A 72 37.012 16.292 -31.563 1.00 14.53 H new ATOM 0 HD11 ILE A 72 35.580 15.682 -36.142 1.00 62.02 H new ATOM 0 HD12 ILE A 72 36.371 17.248 -35.841 1.00 62.02 H new ATOM 0 HD13 ILE A 72 37.352 15.818 -36.241 1.00 62.02 H new ATOM 1133 N HIS A 73 35.359 18.307 -32.961 1.00 53.04 N ATOM 1134 CA HIS A 73 34.255 18.675 -32.079 1.00 43.03 C ATOM 1135 C HIS A 73 34.198 17.753 -30.863 1.00 24.44 C ATOM 1136 O HIS A 73 34.651 16.607 -30.918 1.00 15.32 O ATOM 1137 CB HIS A 73 32.917 18.666 -32.836 1.00 55.44 C ATOM 1138 CG HIS A 73 32.721 17.498 -33.761 1.00 52.52 C ATOM 1139 ND1 HIS A 73 32.408 17.649 -35.092 1.00 23.24 N ATOM 1140 CD2 HIS A 73 32.778 16.163 -33.543 1.00 42.44 C ATOM 1141 CE1 HIS A 73 32.280 16.461 -35.650 1.00 61.52 C ATOM 1142 NE2 HIS A 73 32.498 15.537 -34.732 1.00 53.34 N ATOM 0 H HIS A 73 35.069 17.890 -33.845 1.00 53.04 H new ATOM 0 HA HIS A 73 34.434 19.690 -31.725 1.00 43.03 H new ATOM 0 HB2 HIS A 73 32.105 18.675 -32.109 1.00 55.44 H new ATOM 0 HB3 HIS A 73 32.837 19.586 -33.415 1.00 55.44 H new ATOM 0 HD2 HIS A 73 33.003 15.679 -32.604 1.00 42.44 H new ATOM 0 HE1 HIS A 73 32.037 16.275 -36.686 1.00 61.52 H new ATOM 0 HE2 HIS A 73 32.464 14.529 -34.881 1.00 53.34 H new ATOM 1151 N GLY A 74 33.622 18.254 -29.775 1.00 2.32 N ATOM 1152 CA GLY A 74 33.657 17.550 -28.504 1.00 30.33 C ATOM 1153 C GLY A 74 32.892 16.239 -28.506 1.00 45.23 C ATOM 1154 O GLY A 74 33.189 15.347 -27.710 1.00 50.31 O ATOM 0 H GLY A 74 33.126 19.145 -29.751 1.00 2.32 H new ATOM 0 HA2 GLY A 74 34.695 17.353 -28.237 1.00 30.33 H new ATOM 0 HA3 GLY A 74 33.246 18.198 -27.730 1.00 30.33 H new ATOM 1158 N ASP A 75 31.924 16.113 -29.406 1.00 32.14 N ATOM 1159 CA ASP A 75 31.086 14.915 -29.478 1.00 72.23 C ATOM 1160 C ASP A 75 31.816 13.762 -30.161 1.00 10.20 C ATOM 1161 O ASP A 75 31.245 12.694 -30.365 1.00 3.33 O ATOM 1162 CB ASP A 75 29.784 15.212 -30.228 1.00 71.41 C ATOM 1163 CG ASP A 75 30.030 15.674 -31.647 1.00 34.44 C ATOM 1164 OD1 ASP A 75 29.896 14.858 -32.582 1.00 15.34 O ATOM 1165 OD2 ASP A 75 30.374 16.861 -31.827 1.00 4.31 O1- ATOM 0 H ASP A 75 31.697 16.826 -30.099 1.00 32.14 H new ATOM 0 HA ASP A 75 30.855 14.619 -28.455 1.00 72.23 H new ATOM 0 HB2 ASP A 75 29.164 14.316 -30.243 1.00 71.41 H new ATOM 0 HB3 ASP A 75 29.225 15.978 -29.691 1.00 71.41 H new ATOM 1170 N ASN A 76 33.082 13.974 -30.505 1.00 64.25 N ATOM 1171 CA ASN A 76 33.875 12.933 -31.152 1.00 64.43 C ATOM 1172 C ASN A 76 34.127 11.780 -30.189 1.00 13.52 C ATOM 1173 O ASN A 76 34.076 10.623 -30.584 1.00 71.25 O ATOM 1174 CB ASN A 76 35.208 13.501 -31.643 1.00 33.10 C ATOM 1175 CG ASN A 76 36.024 12.496 -32.442 1.00 40.10 C ATOM 1176 OD1 ASN A 76 35.878 12.394 -33.658 1.00 32.24 O ATOM 1177 ND2 ASN A 76 36.894 11.757 -31.768 1.00 30.14 N ATOM 0 H ASN A 76 33.579 14.851 -30.348 1.00 64.25 H new ATOM 0 HA ASN A 76 33.314 12.561 -32.009 1.00 64.43 H new ATOM 0 HB2 ASN A 76 35.017 14.379 -32.261 1.00 33.10 H new ATOM 0 HB3 ASN A 76 35.792 13.835 -30.786 1.00 33.10 H new ATOM 0 HD21 ASN A 76 37.471 11.074 -32.259 1.00 30.14 H new ATOM 0 HD22 ASN A 76 36.986 11.871 -30.759 1.00 30.14 H new ATOM 1184 N THR A 77 34.376 12.133 -28.922 1.00 21.44 N ATOM 1185 CA THR A 77 34.679 11.185 -27.832 1.00 65.40 C ATOM 1186 C THR A 77 35.971 10.391 -28.082 1.00 53.35 C ATOM 1187 O THR A 77 36.292 10.034 -29.212 1.00 42.51 O ATOM 1188 CB THR A 77 33.508 10.209 -27.517 1.00 70.12 C ATOM 1189 OG1 THR A 77 33.249 9.318 -28.607 1.00 4.33 O ATOM 1190 CG2 THR A 77 32.239 10.980 -27.186 1.00 65.33 C ATOM 0 H THR A 77 34.373 13.106 -28.615 1.00 21.44 H new ATOM 0 HA THR A 77 34.826 11.815 -26.954 1.00 65.40 H new ATOM 0 HB THR A 77 33.812 9.617 -26.654 1.00 70.12 H new ATOM 0 HG1 THR A 77 33.756 9.608 -29.394 1.00 4.33 H new ATOM 0 HG21 THR A 77 31.433 10.279 -26.969 1.00 65.33 H new ATOM 0 HG22 THR A 77 32.414 11.612 -26.315 1.00 65.33 H new ATOM 0 HG23 THR A 77 31.959 11.602 -28.036 1.00 65.33 H new ATOM 1198 N PRO A 78 36.743 10.125 -27.017 1.00 63.14 N ATOM 1199 CA PRO A 78 38.012 9.383 -27.110 1.00 44.41 C ATOM 1200 C PRO A 78 37.813 7.933 -27.559 1.00 73.22 C ATOM 1201 O PRO A 78 38.547 7.422 -28.412 1.00 62.52 O ATOM 1202 CB PRO A 78 38.563 9.430 -25.675 1.00 13.24 C ATOM 1203 CG PRO A 78 37.817 10.529 -25.002 1.00 24.53 C ATOM 1204 CD PRO A 78 36.460 10.543 -25.638 1.00 62.11 C ATOM 0 HA PRO A 78 38.681 9.819 -27.852 1.00 44.41 H new ATOM 0 HB2 PRO A 78 38.409 8.480 -25.164 1.00 13.24 H new ATOM 0 HB3 PRO A 78 39.636 9.624 -25.672 1.00 13.24 H new ATOM 0 HG2 PRO A 78 37.745 10.354 -23.929 1.00 24.53 H new ATOM 0 HG3 PRO A 78 38.323 11.485 -25.136 1.00 24.53 H new ATOM 0 HD2 PRO A 78 35.773 9.858 -25.141 1.00 62.11 H new ATOM 0 HD3 PRO A 78 36.006 11.533 -25.601 1.00 62.11 H new ATOM 1212 N GLU A 79 36.786 7.288 -27.010 1.00 53.55 N ATOM 1213 CA GLU A 79 36.513 5.876 -27.278 1.00 13.34 C ATOM 1214 C GLU A 79 36.170 5.633 -28.748 1.00 42.02 C ATOM 1215 O GLU A 79 36.170 4.494 -29.213 1.00 71.44 O ATOM 1216 CB GLU A 79 35.369 5.383 -26.389 1.00 73.21 C ATOM 1217 CG GLU A 79 34.076 6.165 -26.564 1.00 74.52 C ATOM 1218 CD GLU A 79 32.952 5.615 -25.714 1.00 5.43 C ATOM 1219 OE1 GLU A 79 32.790 6.073 -24.566 1.00 63.15 O ATOM 1220 OE2 GLU A 79 32.227 4.716 -26.186 1.00 62.13 O1- ATOM 0 H GLU A 79 36.123 7.725 -26.370 1.00 53.55 H new ATOM 0 HA GLU A 79 37.420 5.317 -27.050 1.00 13.34 H new ATOM 0 HB2 GLU A 79 35.179 4.332 -26.606 1.00 73.21 H new ATOM 0 HB3 GLU A 79 35.680 5.442 -25.346 1.00 73.21 H new ATOM 0 HG2 GLU A 79 34.248 7.209 -26.304 1.00 74.52 H new ATOM 0 HG3 GLU A 79 33.780 6.143 -27.613 1.00 74.52 H new ATOM 1227 N GLN A 80 35.872 6.710 -29.469 1.00 45.33 N ATOM 1228 CA GLN A 80 35.554 6.633 -30.890 1.00 74.25 C ATOM 1229 C GLN A 80 36.719 6.042 -31.675 1.00 73.11 C ATOM 1230 O GLN A 80 36.523 5.261 -32.605 1.00 61.03 O ATOM 1231 CB GLN A 80 35.242 8.031 -31.424 1.00 42.54 C ATOM 1232 CG GLN A 80 34.832 8.067 -32.887 1.00 40.33 C ATOM 1233 CD GLN A 80 33.457 7.474 -33.122 1.00 61.53 C ATOM 1234 OE1 GLN A 80 33.314 6.278 -33.371 1.00 12.31 O ATOM 1235 NE2 GLN A 80 32.434 8.309 -33.031 1.00 14.43 N ATOM 0 H GLN A 80 35.844 7.655 -29.087 1.00 45.33 H new ATOM 0 HA GLN A 80 34.685 5.986 -31.013 1.00 74.25 H new ATOM 0 HB2 GLN A 80 34.442 8.466 -30.824 1.00 42.54 H new ATOM 0 HB3 GLN A 80 36.120 8.662 -31.290 1.00 42.54 H new ATOM 0 HG2 GLN A 80 34.843 9.099 -33.238 1.00 40.33 H new ATOM 0 HG3 GLN A 80 35.565 7.520 -33.480 1.00 40.33 H new ATOM 0 HE21 GLN A 80 32.597 9.294 -32.823 1.00 14.43 H new ATOM 0 HE22 GLN A 80 31.483 7.967 -33.169 1.00 14.43 H new ATOM 1244 N LEU A 81 37.930 6.407 -31.287 1.00 2.24 N ATOM 1245 CA LEU A 81 39.115 6.000 -32.029 1.00 73.11 C ATOM 1246 C LEU A 81 39.862 4.893 -31.295 1.00 31.23 C ATOM 1247 O LEU A 81 40.494 4.035 -31.912 1.00 13.32 O ATOM 1248 CB LEU A 81 40.037 7.206 -32.242 1.00 12.23 C ATOM 1249 CG LEU A 81 41.271 6.947 -33.110 1.00 34.10 C ATOM 1250 CD1 LEU A 81 40.866 6.602 -34.537 1.00 12.24 C ATOM 1251 CD2 LEU A 81 42.195 8.156 -33.096 1.00 63.31 C ATOM 0 H LEU A 81 38.119 6.982 -30.466 1.00 2.24 H new ATOM 0 HA LEU A 81 38.799 5.614 -32.998 1.00 73.11 H new ATOM 0 HB2 LEU A 81 39.457 8.009 -32.696 1.00 12.23 H new ATOM 0 HB3 LEU A 81 40.369 7.564 -31.267 1.00 12.23 H new ATOM 0 HG LEU A 81 41.808 6.095 -32.693 1.00 34.10 H new ATOM 0 HD11 LEU A 81 41.759 6.422 -35.135 1.00 12.24 H new ATOM 0 HD12 LEU A 81 40.246 5.706 -34.533 1.00 12.24 H new ATOM 0 HD13 LEU A 81 40.303 7.431 -34.966 1.00 12.24 H new ATOM 0 HD21 LEU A 81 43.067 7.955 -33.718 1.00 63.31 H new ATOM 0 HD22 LEU A 81 41.664 9.024 -33.486 1.00 63.31 H new ATOM 0 HD23 LEU A 81 42.517 8.356 -32.074 1.00 63.31 H new ATOM 1263 N GLY A 82 39.767 4.898 -29.977 1.00 62.20 N ATOM 1264 CA GLY A 82 40.488 3.933 -29.183 1.00 2.54 C ATOM 1265 C GLY A 82 41.503 4.615 -28.306 1.00 50.45 C ATOM 1266 O GLY A 82 41.973 4.046 -27.320 1.00 62.11 O ATOM 0 H GLY A 82 39.201 5.556 -29.442 1.00 62.20 H new ATOM 0 HA2 GLY A 82 39.789 3.368 -28.566 1.00 2.54 H new ATOM 0 HA3 GLY A 82 40.987 3.218 -29.837 1.00 2.54 H new ATOM 1270 N ILE A 83 41.845 5.843 -28.675 1.00 21.12 N ATOM 1271 CA ILE A 83 42.656 6.685 -27.823 1.00 62.23 C ATOM 1272 C ILE A 83 41.861 7.025 -26.575 1.00 53.32 C ATOM 1273 O ILE A 83 40.851 7.720 -26.632 1.00 34.30 O ATOM 1274 CB ILE A 83 43.115 7.973 -28.542 1.00 12.34 C ATOM 1275 CG1 ILE A 83 43.787 8.926 -27.546 1.00 11.32 C ATOM 1276 CG2 ILE A 83 41.950 8.651 -29.258 1.00 63.43 C ATOM 1277 CD1 ILE A 83 44.292 10.203 -28.174 1.00 21.45 C ATOM 0 H ILE A 83 41.571 6.272 -29.559 1.00 21.12 H new ATOM 0 HA ILE A 83 43.560 6.138 -27.556 1.00 62.23 H new ATOM 0 HB ILE A 83 43.847 7.700 -29.302 1.00 12.34 H new ATOM 0 HG12 ILE A 83 43.076 9.175 -26.759 1.00 11.32 H new ATOM 0 HG13 ILE A 83 44.621 8.411 -27.070 1.00 11.32 H new ATOM 0 HG21 ILE A 83 42.304 9.554 -29.755 1.00 63.43 H new ATOM 0 HG22 ILE A 83 41.532 7.970 -29.999 1.00 63.43 H new ATOM 0 HG23 ILE A 83 41.180 8.914 -28.532 1.00 63.43 H new ATOM 0 HD11 ILE A 83 44.755 10.827 -27.409 1.00 21.45 H new ATOM 0 HD12 ILE A 83 45.028 9.965 -28.942 1.00 21.45 H new ATOM 0 HD13 ILE A 83 43.458 10.741 -28.625 1.00 21.45 H new ATOM 1289 N GLU A 84 42.306 6.505 -25.457 1.00 64.03 N ATOM 1290 CA GLU A 84 41.526 6.561 -24.241 1.00 52.21 C ATOM 1291 C GLU A 84 42.412 6.994 -23.076 1.00 4.41 C ATOM 1292 O GLU A 84 43.402 7.691 -23.298 1.00 32.15 O ATOM 1293 CB GLU A 84 40.904 5.183 -24.006 1.00 52.31 C ATOM 1294 CG GLU A 84 39.600 5.208 -23.230 1.00 42.14 C ATOM 1295 CD GLU A 84 39.034 3.819 -23.029 1.00 24.00 C ATOM 1296 OE1 GLU A 84 39.437 3.145 -22.062 1.00 30.13 O ATOM 1297 OE2 GLU A 84 38.197 3.385 -23.848 1.00 13.42 O1- ATOM 0 H GLU A 84 43.207 6.036 -25.362 1.00 64.03 H new ATOM 0 HA GLU A 84 40.726 7.296 -24.326 1.00 52.21 H new ATOM 0 HB2 GLU A 84 40.729 4.707 -24.971 1.00 52.31 H new ATOM 0 HB3 GLU A 84 41.620 4.561 -23.469 1.00 52.31 H new ATOM 0 HG2 GLU A 84 39.764 5.677 -22.260 1.00 42.14 H new ATOM 0 HG3 GLU A 84 38.873 5.822 -23.762 1.00 42.14 H new ATOM 1304 N ASP A 85 42.044 6.573 -21.859 1.00 34.14 N ATOM 1305 CA ASP A 85 42.732 6.956 -20.613 1.00 62.20 C ATOM 1306 C ASP A 85 44.225 7.216 -20.810 1.00 24.11 C ATOM 1307 O ASP A 85 44.995 6.300 -21.114 1.00 63.13 O ATOM 1308 CB ASP A 85 42.539 5.861 -19.563 1.00 41.01 C ATOM 1309 CG ASP A 85 43.234 6.181 -18.258 1.00 33.33 C ATOM 1310 OD1 ASP A 85 42.761 7.076 -17.536 1.00 0.20 O ATOM 1311 OD2 ASP A 85 44.243 5.521 -17.935 1.00 54.52 O1- ATOM 0 H ASP A 85 41.251 5.949 -21.707 1.00 34.14 H new ATOM 0 HA ASP A 85 42.286 7.893 -20.279 1.00 62.20 H new ATOM 0 HB2 ASP A 85 41.474 5.722 -19.379 1.00 41.01 H new ATOM 0 HB3 ASP A 85 42.921 4.917 -19.952 1.00 41.01 H new ATOM 1316 N GLY A 86 44.623 8.472 -20.641 1.00 32.23 N ATOM 1317 CA GLY A 86 45.994 8.863 -20.893 1.00 42.34 C ATOM 1318 C GLY A 86 46.098 9.814 -22.069 1.00 60.32 C ATOM 1319 O GLY A 86 47.197 10.182 -22.492 1.00 42.55 O ATOM 0 H GLY A 86 44.014 9.230 -20.332 1.00 32.23 H new ATOM 0 HA2 GLY A 86 46.406 9.338 -20.003 1.00 42.34 H new ATOM 0 HA3 GLY A 86 46.596 7.975 -21.088 1.00 42.34 H new ATOM 1323 N ASP A 87 44.947 10.207 -22.597 1.00 21.12 N ATOM 1324 CA ASP A 87 44.884 11.054 -23.782 1.00 23.23 C ATOM 1325 C ASP A 87 45.149 12.514 -23.428 1.00 62.04 C ATOM 1326 O ASP A 87 45.231 12.879 -22.248 1.00 50.43 O ATOM 1327 CB ASP A 87 43.520 10.913 -24.469 1.00 41.43 C ATOM 1328 CG ASP A 87 42.370 11.371 -23.592 1.00 70.52 C ATOM 1329 OD1 ASP A 87 42.116 10.718 -22.555 1.00 13.22 O ATOM 1330 OD2 ASP A 87 41.718 12.376 -23.946 1.00 3.13 O1- ATOM 0 H ASP A 87 44.035 9.950 -22.219 1.00 21.12 H new ATOM 0 HA ASP A 87 45.661 10.726 -24.472 1.00 23.23 H new ATOM 0 HB2 ASP A 87 43.521 11.494 -25.391 1.00 41.43 H new ATOM 0 HB3 ASP A 87 43.365 9.871 -24.749 1.00 41.43 H new ATOM 1335 N VAL A 88 45.310 13.346 -24.451 1.00 40.21 N ATOM 1336 CA VAL A 88 45.626 14.751 -24.247 1.00 30.05 C ATOM 1337 C VAL A 88 44.829 15.635 -25.201 1.00 62.31 C ATOM 1338 O VAL A 88 44.428 15.202 -26.284 1.00 44.01 O ATOM 1339 CB VAL A 88 47.135 15.054 -24.434 1.00 1.54 C ATOM 1340 CG1 VAL A 88 47.993 14.147 -23.566 1.00 21.12 C ATOM 1341 CG2 VAL A 88 47.539 14.938 -25.893 1.00 55.10 C ATOM 0 H VAL A 88 45.226 13.070 -25.429 1.00 40.21 H new ATOM 0 HA VAL A 88 45.354 14.973 -23.215 1.00 30.05 H new ATOM 0 HB VAL A 88 47.304 16.082 -24.115 1.00 1.54 H new ATOM 0 HG11 VAL A 88 49.045 14.385 -23.720 1.00 21.12 H new ATOM 0 HG12 VAL A 88 47.737 14.298 -22.517 1.00 21.12 H new ATOM 0 HG13 VAL A 88 47.813 13.107 -23.837 1.00 21.12 H new ATOM 0 HG21 VAL A 88 48.602 15.156 -25.995 1.00 55.10 H new ATOM 0 HG22 VAL A 88 47.340 13.926 -26.246 1.00 55.10 H new ATOM 0 HG23 VAL A 88 46.965 15.649 -26.487 1.00 55.10 H new ATOM 1351 N ILE A 89 44.625 16.880 -24.794 1.00 14.43 N ATOM 1352 CA ILE A 89 43.877 17.844 -25.586 1.00 51.25 C ATOM 1353 C ILE A 89 44.605 19.180 -25.562 1.00 71.31 C ATOM 1354 O ILE A 89 44.731 19.803 -24.518 1.00 41.13 O ATOM 1355 CB ILE A 89 42.439 18.043 -25.052 1.00 64.41 C ATOM 1356 CG1 ILE A 89 41.736 16.699 -24.836 1.00 0.23 C ATOM 1357 CG2 ILE A 89 41.638 18.894 -26.023 1.00 64.41 C ATOM 1358 CD1 ILE A 89 40.350 16.828 -24.241 1.00 62.23 C ATOM 0 H ILE A 89 44.972 17.249 -23.909 1.00 14.43 H new ATOM 0 HA ILE A 89 43.806 17.458 -26.603 1.00 51.25 H new ATOM 0 HB ILE A 89 42.503 18.552 -24.090 1.00 64.41 H new ATOM 0 HG12 ILE A 89 41.665 16.178 -25.791 1.00 0.23 H new ATOM 0 HG13 ILE A 89 42.348 16.080 -24.180 1.00 0.23 H new ATOM 0 HG21 ILE A 89 40.627 19.029 -25.640 1.00 64.41 H new ATOM 0 HG22 ILE A 89 42.117 19.867 -26.135 1.00 64.41 H new ATOM 0 HG23 ILE A 89 41.595 18.397 -26.992 1.00 64.41 H new ATOM 0 HD11 ILE A 89 39.914 15.837 -24.117 1.00 62.23 H new ATOM 0 HD12 ILE A 89 40.415 17.320 -23.271 1.00 62.23 H new ATOM 0 HD13 ILE A 89 39.722 17.420 -24.907 1.00 62.23 H new ATOM 1370 N ASP A 90 45.083 19.606 -26.708 1.00 34.30 N ATOM 1371 CA ASP A 90 45.927 20.788 -26.809 1.00 21.13 C ATOM 1372 C ASP A 90 45.113 21.981 -27.293 1.00 54.30 C ATOM 1373 O ASP A 90 44.431 21.897 -28.313 1.00 1.13 O ATOM 1374 CB ASP A 90 47.065 20.483 -27.777 1.00 33.21 C ATOM 1375 CG ASP A 90 48.173 21.512 -27.774 1.00 41.43 C ATOM 1376 OD1 ASP A 90 48.183 22.401 -26.904 1.00 53.43 O ATOM 1377 OD2 ASP A 90 49.066 21.410 -28.637 1.00 21.31 O1- ATOM 0 H ASP A 90 44.901 19.147 -27.601 1.00 34.30 H new ATOM 0 HA ASP A 90 46.335 21.041 -25.830 1.00 21.13 H new ATOM 0 HB2 ASP A 90 47.488 19.510 -27.528 1.00 33.21 H new ATOM 0 HB3 ASP A 90 46.659 20.406 -28.785 1.00 33.21 H new ATOM 1382 N ALA A 91 45.172 23.081 -26.562 1.00 30.14 N ATOM 1383 CA ALA A 91 44.363 24.249 -26.890 1.00 22.54 C ATOM 1384 C ALA A 91 45.196 25.373 -27.500 1.00 62.41 C ATOM 1385 O ALA A 91 46.248 25.733 -26.979 1.00 34.40 O ATOM 1386 CB ALA A 91 43.645 24.747 -25.648 1.00 33.33 C ATOM 0 H ALA A 91 45.767 23.193 -25.741 1.00 30.14 H new ATOM 0 HA ALA A 91 43.632 23.942 -27.639 1.00 22.54 H new ATOM 0 HB1 ALA A 91 43.043 25.620 -25.901 1.00 33.33 H new ATOM 0 HB2 ALA A 91 42.998 23.959 -25.261 1.00 33.33 H new ATOM 0 HB3 ALA A 91 44.378 25.020 -24.889 1.00 33.33 H new ATOM 1392 N MET A 92 44.717 25.923 -28.612 1.00 14.35 N ATOM 1393 CA MET A 92 45.334 27.100 -29.225 1.00 13.21 C ATOM 1394 C MET A 92 44.282 28.181 -29.417 1.00 25.02 C ATOM 1395 O MET A 92 43.091 27.888 -29.397 1.00 71.52 O ATOM 1396 CB MET A 92 45.953 26.786 -30.589 1.00 64.53 C ATOM 1397 CG MET A 92 46.965 25.657 -30.602 1.00 30.25 C ATOM 1398 SD MET A 92 46.195 24.027 -30.584 1.00 45.45 S ATOM 1399 CE MET A 92 47.620 22.985 -30.876 1.00 51.31 C ATOM 0 H MET A 92 43.899 25.572 -29.111 1.00 14.35 H new ATOM 0 HA MET A 92 46.127 27.434 -28.556 1.00 13.21 H new ATOM 0 HB2 MET A 92 45.151 26.540 -31.285 1.00 64.53 H new ATOM 0 HB3 MET A 92 46.436 27.688 -30.966 1.00 64.53 H new ATOM 0 HG2 MET A 92 47.592 25.748 -31.489 1.00 30.25 H new ATOM 0 HG3 MET A 92 47.621 25.753 -29.737 1.00 30.25 H new ATOM 0 HE1 MET A 92 47.371 21.952 -30.633 1.00 51.31 H new ATOM 0 HE2 MET A 92 47.910 23.051 -31.925 1.00 51.31 H new ATOM 0 HE3 MET A 92 48.448 23.316 -30.249 1.00 51.31 H new ATOM 1409 N VAL A 93 44.712 29.416 -29.637 1.00 70.32 N ATOM 1410 CA VAL A 93 43.782 30.532 -29.824 1.00 3.20 C ATOM 1411 C VAL A 93 42.975 30.379 -31.119 1.00 75.10 C ATOM 1412 O VAL A 93 43.441 30.754 -32.195 1.00 71.31 O ATOM 1413 CB VAL A 93 44.520 31.892 -29.839 1.00 52.22 C ATOM 1414 CG1 VAL A 93 43.540 33.040 -30.039 1.00 3.43 C ATOM 1415 CG2 VAL A 93 45.315 32.086 -28.555 1.00 10.04 C ATOM 0 H VAL A 93 45.697 29.675 -29.691 1.00 70.32 H new ATOM 0 HA VAL A 93 43.098 30.512 -28.976 1.00 3.20 H new ATOM 0 HB VAL A 93 45.216 31.889 -30.678 1.00 52.22 H new ATOM 0 HG11 VAL A 93 44.083 33.985 -30.046 1.00 3.43 H new ATOM 0 HG12 VAL A 93 43.020 32.913 -30.989 1.00 3.43 H new ATOM 0 HG13 VAL A 93 42.814 33.045 -29.226 1.00 3.43 H new ATOM 0 HG21 VAL A 93 45.826 33.048 -28.586 1.00 10.04 H new ATOM 0 HG22 VAL A 93 44.638 32.062 -27.701 1.00 10.04 H new ATOM 0 HG23 VAL A 93 46.050 31.287 -28.458 1.00 10.04 H new ATOM 1425 N GLN A 94 41.769 29.805 -30.990 1.00 13.31 N ATOM 1426 CA GLN A 94 40.847 29.593 -32.115 1.00 14.42 C ATOM 1427 C GLN A 94 41.558 29.017 -33.342 1.00 61.22 C ATOM 1428 O GLN A 94 41.241 29.377 -34.477 1.00 71.22 O ATOM 1429 CB GLN A 94 40.145 30.903 -32.488 1.00 11.34 C ATOM 1430 CG GLN A 94 39.107 31.372 -31.489 1.00 20.20 C ATOM 1431 CD GLN A 94 38.461 32.686 -31.888 1.00 32.33 C ATOM 1432 OE1 GLN A 94 38.068 33.483 -31.036 1.00 74.30 O ATOM 1433 NE2 GLN A 94 38.336 32.918 -33.186 1.00 24.31 N ATOM 0 H GLN A 94 41.405 29.473 -30.097 1.00 13.31 H new ATOM 0 HA GLN A 94 40.106 28.864 -31.788 1.00 14.42 H new ATOM 0 HB2 GLN A 94 40.898 31.683 -32.602 1.00 11.34 H new ATOM 0 HB3 GLN A 94 39.665 30.779 -33.459 1.00 11.34 H new ATOM 0 HG2 GLN A 94 38.335 30.609 -31.388 1.00 20.20 H new ATOM 0 HG3 GLN A 94 39.575 31.484 -30.511 1.00 20.20 H new ATOM 0 HE21 GLN A 94 38.674 32.233 -33.861 1.00 24.31 H new ATOM 0 HE22 GLN A 94 37.901 33.782 -33.510 1.00 24.31 H new