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 Set 1.1: A 77 THR OG1 : rot -4:sc= 1.73 USER MOD Set 1.2: A 80 GLN : amide:sc= 1.04 K(o=2.8,f=0.69) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -1.55! K(o=-1.5!,f=-0.023) USER MOD Single : A 26 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.13) USER MOD Single : A 29 SER OG : rot 130:sc= -0.091 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+ 170:sc= 0 (180deg=-0.0885) USER MOD Single : A 43 THR OG1 : rot 32:sc= -1.86! USER MOD Single : A 44 LYS NZ :NH3+ 167:sc= 1.13 (180deg=0.688) USER MOD Single : A 47 LYS NZ :NH3+ -114:sc= -0.31 (180deg=-0.886!) USER MOD Single : A 49 MET CE :methyl -105:sc= -0.408 (180deg=-3.33!) USER MOD Single : A 52 TYR OH : rot -134:sc= -2.42! USER MOD Single : A 53 CYS SG : rot 42:sc= -4.75! USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 58 GLN : amide:sc= -0.761 K(o=-0.76,f=-0.1) USER MOD Single : A 59 SER OG : rot 72:sc= 0.905 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 57:sc= 0.51 USER MOD Single : A 73 HIS : no HE2:sc= 0.794 K(o=0.79,f=-6.1!) USER MOD Single : A 76 ASN : amide:sc= -0.473 X(o=-0.47,f=0) USER MOD Single : A 92 MET CE :methyl 167:sc= -0.244 (180deg=-0.925) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 268 N HIS A 22 37.156 4.822 -15.179 1.00 3.23 N ATOM 269 CA HIS A 22 37.640 6.181 -14.983 1.00 12.43 C ATOM 270 C HIS A 22 38.717 6.507 -16.008 1.00 51.25 C ATOM 271 O HIS A 22 39.679 5.755 -16.176 1.00 12.05 O ATOM 272 CB HIS A 22 38.195 6.360 -13.567 1.00 71.14 C ATOM 273 CG HIS A 22 37.222 5.986 -12.487 1.00 44.35 C ATOM 274 ND1 HIS A 22 37.595 5.344 -11.328 1.00 50.21 N ATOM 275 CD2 HIS A 22 35.878 6.159 -12.402 1.00 44.15 C ATOM 276 CE1 HIS A 22 36.526 5.141 -10.577 1.00 41.13 C ATOM 277 NE2 HIS A 22 35.471 5.625 -11.206 1.00 12.14 N ATOM 0 HA HIS A 22 36.802 6.865 -15.115 1.00 12.43 H new ATOM 0 HB2 HIS A 22 39.095 5.754 -13.459 1.00 71.14 H new ATOM 0 HB3 HIS A 22 38.493 7.400 -13.432 1.00 71.14 H new ATOM 0 HD2 HIS A 22 35.246 6.630 -13.140 1.00 44.15 H new ATOM 0 HE1 HIS A 22 36.517 4.660 -9.610 1.00 41.13 H new ATOM 0 HE2 HIS A 22 34.512 5.605 -10.860 1.00 12.14 H new ATOM 286 N ILE A 23 38.553 7.632 -16.680 1.00 0.22 N ATOM 287 CA ILE A 23 39.473 8.045 -17.727 1.00 11.25 C ATOM 288 C ILE A 23 40.267 9.265 -17.254 1.00 22.25 C ATOM 289 O ILE A 23 39.910 9.899 -16.261 1.00 42.51 O ATOM 290 CB ILE A 23 38.710 8.373 -19.038 1.00 3.34 C ATOM 291 CG1 ILE A 23 37.669 7.286 -19.332 1.00 25.13 C ATOM 292 CG2 ILE A 23 39.673 8.502 -20.213 1.00 32.34 C ATOM 293 CD1 ILE A 23 36.819 7.566 -20.553 1.00 44.31 C ATOM 0 H ILE A 23 37.784 8.282 -16.518 1.00 0.22 H new ATOM 0 HA ILE A 23 40.159 7.224 -17.936 1.00 11.25 H new ATOM 0 HB ILE A 23 38.202 9.328 -18.904 1.00 3.34 H new ATOM 0 HG12 ILE A 23 38.181 6.333 -19.468 1.00 25.13 H new ATOM 0 HG13 ILE A 23 37.018 7.176 -18.465 1.00 25.13 H new ATOM 0 HG21 ILE A 23 39.113 8.732 -21.119 1.00 32.34 H new ATOM 0 HG22 ILE A 23 40.385 9.303 -20.014 1.00 32.34 H new ATOM 0 HG23 ILE A 23 40.211 7.563 -20.347 1.00 32.34 H new ATOM 0 HD11 ILE A 23 36.107 6.753 -20.695 1.00 44.31 H new ATOM 0 HD12 ILE A 23 36.278 8.502 -20.413 1.00 44.31 H new ATOM 0 HD13 ILE A 23 37.459 7.646 -21.432 1.00 44.31 H new ATOM 305 N GLN A 24 41.327 9.594 -17.963 1.00 71.43 N ATOM 306 CA GLN A 24 42.225 10.659 -17.554 1.00 11.44 C ATOM 307 C GLN A 24 42.819 11.330 -18.781 1.00 52.41 C ATOM 308 O GLN A 24 43.155 10.658 -19.760 1.00 4.25 O ATOM 309 CB GLN A 24 43.336 10.083 -16.682 1.00 34.22 C ATOM 310 CG GLN A 24 44.292 11.114 -16.110 1.00 45.54 C ATOM 311 CD GLN A 24 45.420 10.472 -15.329 1.00 43.44 C ATOM 312 OE1 GLN A 24 45.948 11.055 -14.383 1.00 20.15 O ATOM 313 NE2 GLN A 24 45.791 9.261 -15.719 1.00 11.15 N ATOM 0 H GLN A 24 41.591 9.135 -18.835 1.00 71.43 H new ATOM 0 HA GLN A 24 41.670 11.401 -16.980 1.00 11.44 H new ATOM 0 HB2 GLN A 24 42.883 9.531 -15.858 1.00 34.22 H new ATOM 0 HB3 GLN A 24 43.907 9.366 -17.271 1.00 34.22 H new ATOM 0 HG2 GLN A 24 44.707 11.712 -16.921 1.00 45.54 H new ATOM 0 HG3 GLN A 24 43.743 11.796 -15.460 1.00 45.54 H new ATOM 0 HE21 GLN A 24 45.325 8.815 -16.509 1.00 11.15 H new ATOM 0 HE22 GLN A 24 46.542 8.775 -15.229 1.00 11.15 H new ATOM 322 N VAL A 25 42.934 12.647 -18.736 1.00 72.33 N ATOM 323 CA VAL A 25 43.470 13.410 -19.855 1.00 2.21 C ATOM 324 C VAL A 25 44.358 14.543 -19.359 1.00 52.41 C ATOM 325 O VAL A 25 44.448 14.800 -18.162 1.00 50.52 O ATOM 326 CB VAL A 25 42.353 14.014 -20.738 1.00 44.32 C ATOM 327 CG1 VAL A 25 41.536 12.924 -21.416 1.00 41.00 C ATOM 328 CG2 VAL A 25 41.456 14.929 -19.918 1.00 73.23 C ATOM 0 H VAL A 25 42.662 13.214 -17.933 1.00 72.33 H new ATOM 0 HA VAL A 25 44.051 12.710 -20.455 1.00 2.21 H new ATOM 0 HB VAL A 25 42.828 14.608 -21.519 1.00 44.32 H new ATOM 0 HG11 VAL A 25 40.759 13.380 -22.029 1.00 41.00 H new ATOM 0 HG12 VAL A 25 42.188 12.320 -22.047 1.00 41.00 H new ATOM 0 HG13 VAL A 25 41.075 12.290 -20.658 1.00 41.00 H new ATOM 0 HG21 VAL A 25 40.677 15.344 -20.558 1.00 73.23 H new ATOM 0 HG22 VAL A 25 40.997 14.360 -19.110 1.00 73.23 H new ATOM 0 HG23 VAL A 25 42.050 15.740 -19.498 1.00 73.23 H new ATOM 338 N LYS A 26 45.018 15.205 -20.285 1.00 74.44 N ATOM 339 CA LYS A 26 45.814 16.377 -19.975 1.00 34.43 C ATOM 340 C LYS A 26 45.663 17.396 -21.081 1.00 4.33 C ATOM 341 O LYS A 26 46.064 17.155 -22.211 1.00 44.10 O ATOM 342 CB LYS A 26 47.280 15.997 -19.809 1.00 54.54 C ATOM 343 CG LYS A 26 47.770 16.120 -18.380 1.00 22.30 C ATOM 344 CD LYS A 26 49.213 15.667 -18.252 1.00 20.41 C ATOM 345 CE LYS A 26 49.400 14.244 -18.765 1.00 55.05 C ATOM 346 NZ LYS A 26 50.807 13.982 -19.161 1.00 31.31 N1+ ATOM 0 H LYS A 26 45.019 14.948 -21.272 1.00 74.44 H new ATOM 0 HA LYS A 26 45.463 16.807 -19.037 1.00 34.43 H new ATOM 0 HB2 LYS A 26 47.424 14.971 -20.149 1.00 54.54 H new ATOM 0 HB3 LYS A 26 47.889 16.634 -20.451 1.00 54.54 H new ATOM 0 HG2 LYS A 26 47.681 17.155 -18.050 1.00 22.30 H new ATOM 0 HG3 LYS A 26 47.139 15.521 -17.724 1.00 22.30 H new ATOM 0 HD2 LYS A 26 49.859 16.344 -18.811 1.00 20.41 H new ATOM 0 HD3 LYS A 26 49.521 15.722 -17.208 1.00 20.41 H new ATOM 0 HE2 LYS A 26 49.102 13.536 -17.991 1.00 55.05 H new ATOM 0 HE3 LYS A 26 48.744 14.076 -19.620 1.00 55.05 H new ATOM 0 HZ1 LYS A 26 50.902 12.994 -19.473 1.00 31.31 H new ATOM 0 HZ2 LYS A 26 51.073 14.618 -19.940 1.00 31.31 H new ATOM 0 HZ3 LYS A 26 51.433 14.150 -18.348 1.00 31.31 H new ATOM 360 N VAL A 27 45.088 18.537 -20.767 1.00 15.45 N ATOM 361 CA VAL A 27 44.875 19.539 -21.763 1.00 72.53 C ATOM 362 C VAL A 27 46.038 20.481 -21.678 1.00 72.32 C ATOM 363 O VAL A 27 46.061 21.369 -20.825 1.00 14.32 O ATOM 364 CB VAL A 27 43.539 20.297 -21.560 1.00 61.10 C ATOM 365 CG1 VAL A 27 43.313 21.319 -22.666 1.00 55.43 C ATOM 366 CG2 VAL A 27 42.377 19.317 -21.492 1.00 73.33 C ATOM 0 H VAL A 27 44.764 18.784 -19.832 1.00 15.45 H new ATOM 0 HA VAL A 27 44.805 19.076 -22.747 1.00 72.53 H new ATOM 0 HB VAL A 27 43.597 20.835 -20.614 1.00 61.10 H new ATOM 0 HG11 VAL A 27 42.368 21.835 -22.497 1.00 55.43 H new ATOM 0 HG12 VAL A 27 44.128 22.043 -22.664 1.00 55.43 H new ATOM 0 HG13 VAL A 27 43.282 20.811 -23.630 1.00 55.43 H new ATOM 0 HG21 VAL A 27 41.446 19.866 -21.349 1.00 73.33 H new ATOM 0 HG22 VAL A 27 42.325 18.750 -22.421 1.00 73.33 H new ATOM 0 HG23 VAL A 27 42.527 18.633 -20.657 1.00 73.33 H new ATOM 376 N ARG A 28 47.036 20.242 -22.513 1.00 64.53 N ATOM 377 CA ARG A 28 48.194 21.088 -22.509 1.00 65.22 C ATOM 378 C ARG A 28 47.765 22.416 -23.031 1.00 63.41 C ATOM 379 O ARG A 28 47.515 22.600 -24.220 1.00 71.22 O ATOM 380 CB ARG A 28 49.330 20.513 -23.351 1.00 24.25 C ATOM 381 CG ARG A 28 50.398 21.532 -23.738 1.00 22.13 C ATOM 382 CD ARG A 28 51.496 20.871 -24.545 1.00 44.34 C ATOM 383 NE ARG A 28 52.079 21.776 -25.532 1.00 65.10 N ATOM 384 CZ ARG A 28 51.646 21.859 -26.786 1.00 45.54 C ATOM 385 NH1 ARG A 28 50.697 21.041 -27.210 1.00 33.24 N1+ ATOM 386 NH2 ARG A 28 52.185 22.732 -27.621 1.00 23.30 N ATOM 0 H ARG A 28 47.059 19.478 -23.189 1.00 64.53 H new ATOM 0 HA ARG A 28 48.587 21.172 -21.496 1.00 65.22 H new ATOM 0 HB2 ARG A 28 49.802 19.701 -22.798 1.00 24.25 H new ATOM 0 HB3 ARG A 28 48.911 20.080 -24.259 1.00 24.25 H new ATOM 0 HG2 ARG A 28 49.947 22.337 -24.318 1.00 22.13 H new ATOM 0 HG3 ARG A 28 50.820 21.983 -22.840 1.00 22.13 H new ATOM 0 HD2 ARG A 28 52.277 20.519 -23.871 1.00 44.34 H new ATOM 0 HD3 ARG A 28 51.094 19.994 -25.052 1.00 44.34 H new ATOM 0 HE ARG A 28 52.855 22.373 -25.245 1.00 65.10 H new ATOM 0 HH11 ARG A 28 50.299 20.349 -26.575 1.00 33.24 H new ATOM 0 HH12 ARG A 28 50.363 21.103 -28.172 1.00 33.24 H new ATOM 0 HH21 ARG A 28 52.936 23.345 -27.303 1.00 23.30 H new ATOM 0 HH22 ARG A 28 51.850 22.792 -28.582 1.00 23.30 H new ATOM 400 N SER A 29 47.623 23.317 -22.103 1.00 62.33 N ATOM 401 CA SER A 29 47.177 24.637 -22.413 1.00 61.53 C ATOM 402 C SER A 29 48.200 25.306 -23.333 1.00 72.53 C ATOM 403 O SER A 29 49.360 24.874 -23.372 1.00 31.23 O ATOM 404 CB SER A 29 46.978 25.393 -21.103 1.00 54.21 C ATOM 405 OG SER A 29 45.960 24.786 -20.326 1.00 31.13 O ATOM 0 H SER A 29 47.813 23.155 -21.114 1.00 62.33 H new ATOM 0 HA SER A 29 46.225 24.628 -22.944 1.00 61.53 H new ATOM 0 HB2 SER A 29 47.912 25.409 -20.541 1.00 54.21 H new ATOM 0 HB3 SER A 29 46.714 26.430 -21.312 1.00 54.21 H new ATOM 0 HG SER A 29 46.287 24.642 -19.413 1.00 31.13 H new ATOM 411 N PRO A 30 47.793 26.346 -24.092 1.00 15.42 N ATOM 412 CA PRO A 30 48.645 27.001 -25.114 1.00 23.11 C ATOM 413 C PRO A 30 49.879 27.709 -24.539 1.00 5.11 C ATOM 414 O PRO A 30 50.302 28.752 -25.040 1.00 72.52 O ATOM 415 CB PRO A 30 47.705 28.030 -25.756 1.00 45.42 C ATOM 416 CG PRO A 30 46.645 28.273 -24.739 1.00 63.25 C ATOM 417 CD PRO A 30 46.454 26.965 -24.030 1.00 61.25 C ATOM 0 HA PRO A 30 49.054 26.263 -25.804 1.00 23.11 H new ATOM 0 HB2 PRO A 30 48.236 28.950 -26.000 1.00 45.42 H new ATOM 0 HB3 PRO A 30 47.280 27.650 -26.685 1.00 45.42 H new ATOM 0 HG2 PRO A 30 46.944 29.056 -24.042 1.00 63.25 H new ATOM 0 HG3 PRO A 30 45.719 28.602 -25.210 1.00 63.25 H new ATOM 0 HD2 PRO A 30 46.125 27.110 -23.001 1.00 61.25 H new ATOM 0 HD3 PRO A 30 45.702 26.347 -24.521 1.00 61.25 H new ATOM 425 N ASP A 31 50.461 27.124 -23.508 1.00 62.14 N ATOM 426 CA ASP A 31 51.640 27.679 -22.866 1.00 43.34 C ATOM 427 C ASP A 31 52.700 26.600 -22.685 1.00 13.04 C ATOM 428 O ASP A 31 53.874 26.886 -22.439 1.00 21.24 O ATOM 429 CB ASP A 31 51.261 28.292 -21.512 1.00 0.44 C ATOM 430 CG ASP A 31 52.444 28.909 -20.789 1.00 63.12 C ATOM 431 OD1 ASP A 31 52.868 30.018 -21.172 1.00 44.23 O ATOM 432 OD2 ASP A 31 52.943 28.295 -19.823 1.00 12.51 O1- ATOM 0 H ASP A 31 50.131 26.253 -23.092 1.00 62.14 H new ATOM 0 HA ASP A 31 52.052 28.463 -23.501 1.00 43.34 H new ATOM 0 HB2 ASP A 31 50.498 29.055 -21.666 1.00 0.44 H new ATOM 0 HB3 ASP A 31 50.819 27.521 -20.881 1.00 0.44 H new ATOM 437 N GLY A 32 52.278 25.354 -22.835 1.00 1.23 N ATOM 438 CA GLY A 32 53.156 24.235 -22.567 1.00 64.22 C ATOM 439 C GLY A 32 52.855 23.613 -21.223 1.00 54.14 C ATOM 440 O GLY A 32 53.452 22.608 -20.839 1.00 43.15 O ATOM 0 H GLY A 32 51.339 25.097 -23.139 1.00 1.23 H new ATOM 0 HA2 GLY A 32 53.044 23.486 -23.351 1.00 64.22 H new ATOM 0 HA3 GLY A 32 54.193 24.569 -22.592 1.00 64.22 H new ATOM 444 N ALA A 33 51.920 24.226 -20.510 1.00 1.31 N ATOM 445 CA ALA A 33 51.486 23.732 -19.215 1.00 44.21 C ATOM 446 C ALA A 33 50.447 22.640 -19.397 1.00 14.20 C ATOM 447 O ALA A 33 49.377 22.876 -19.960 1.00 2.30 O ATOM 448 CB ALA A 33 50.921 24.869 -18.373 1.00 42.23 C ATOM 0 H ALA A 33 51.444 25.076 -20.813 1.00 1.31 H new ATOM 0 HA ALA A 33 52.347 23.314 -18.693 1.00 44.21 H new ATOM 0 HB1 ALA A 33 50.601 24.481 -17.406 1.00 42.23 H new ATOM 0 HB2 ALA A 33 51.689 25.627 -18.223 1.00 42.23 H new ATOM 0 HB3 ALA A 33 50.068 25.313 -18.886 1.00 42.23 H new ATOM 454 N GLU A 34 50.764 21.449 -18.934 1.00 63.03 N ATOM 455 CA GLU A 34 49.890 20.309 -19.122 1.00 51.32 C ATOM 456 C GLU A 34 49.399 19.819 -17.766 1.00 22.55 C ATOM 457 O GLU A 34 50.133 19.156 -17.033 1.00 43.25 O ATOM 458 CB GLU A 34 50.651 19.210 -19.869 1.00 4.31 C ATOM 459 CG GLU A 34 49.780 18.182 -20.561 1.00 43.11 C ATOM 460 CD GLU A 34 50.609 17.184 -21.345 1.00 11.42 C ATOM 461 OE1 GLU A 34 50.928 16.107 -20.799 1.00 70.41 O ATOM 462 OE2 GLU A 34 50.963 17.481 -22.503 1.00 0.35 O1- ATOM 0 H GLU A 34 51.623 21.244 -18.423 1.00 63.03 H new ATOM 0 HA GLU A 34 49.021 20.591 -19.717 1.00 51.32 H new ATOM 0 HB2 GLU A 34 51.296 19.678 -20.613 1.00 4.31 H new ATOM 0 HB3 GLU A 34 51.302 18.695 -19.162 1.00 4.31 H new ATOM 0 HG2 GLU A 34 49.180 17.654 -19.819 1.00 43.11 H new ATOM 0 HG3 GLU A 34 49.085 18.686 -21.233 1.00 43.11 H new ATOM 469 N VAL A 35 48.171 20.174 -17.422 1.00 72.24 N ATOM 470 CA VAL A 35 47.610 19.817 -16.128 1.00 1.04 C ATOM 471 C VAL A 35 46.647 18.650 -16.288 1.00 15.44 C ATOM 472 O VAL A 35 45.843 18.621 -17.225 1.00 34.34 O ATOM 473 CB VAL A 35 46.872 21.011 -15.477 1.00 73.02 C ATOM 474 CG1 VAL A 35 46.374 20.650 -14.085 1.00 43.24 C ATOM 475 CG2 VAL A 35 47.771 22.239 -15.425 1.00 72.21 C ATOM 0 H VAL A 35 47.543 20.710 -18.021 1.00 72.24 H new ATOM 0 HA VAL A 35 48.435 19.532 -15.475 1.00 1.04 H new ATOM 0 HB VAL A 35 46.006 21.248 -16.095 1.00 73.02 H new ATOM 0 HG11 VAL A 35 45.859 21.506 -13.649 1.00 43.24 H new ATOM 0 HG12 VAL A 35 45.685 19.808 -14.152 1.00 43.24 H new ATOM 0 HG13 VAL A 35 47.221 20.377 -13.455 1.00 43.24 H new ATOM 0 HG21 VAL A 35 47.231 23.066 -14.963 1.00 72.21 H new ATOM 0 HG22 VAL A 35 48.661 22.014 -14.837 1.00 72.21 H new ATOM 0 HG23 VAL A 35 48.065 22.518 -16.437 1.00 72.21 H new ATOM 485 N PHE A 36 46.748 17.681 -15.389 1.00 22.41 N ATOM 486 CA PHE A 36 45.951 16.471 -15.478 1.00 15.50 C ATOM 487 C PHE A 36 44.488 16.746 -15.159 1.00 3.00 C ATOM 488 O PHE A 36 44.156 17.421 -14.182 1.00 12.52 O ATOM 489 CB PHE A 36 46.516 15.374 -14.561 1.00 12.44 C ATOM 490 CG PHE A 36 46.705 15.790 -13.124 1.00 61.13 C ATOM 491 CD1 PHE A 36 47.881 16.404 -12.713 1.00 3.24 C ATOM 492 CD2 PHE A 36 45.716 15.554 -12.181 1.00 5.12 C ATOM 493 CE1 PHE A 36 48.062 16.777 -11.394 1.00 63.02 C ATOM 494 CE2 PHE A 36 45.892 15.926 -10.862 1.00 41.31 C ATOM 495 CZ PHE A 36 47.066 16.538 -10.467 1.00 34.21 C ATOM 0 H PHE A 36 47.378 17.712 -14.587 1.00 22.41 H new ATOM 0 HA PHE A 36 46.004 16.114 -16.507 1.00 15.50 H new ATOM 0 HB2 PHE A 36 45.847 14.514 -14.591 1.00 12.44 H new ATOM 0 HB3 PHE A 36 47.476 15.045 -14.959 1.00 12.44 H new ATOM 0 HD1 PHE A 36 48.664 16.592 -13.433 1.00 3.24 H new ATOM 0 HD2 PHE A 36 44.797 15.073 -12.481 1.00 5.12 H new ATOM 0 HE1 PHE A 36 48.981 17.255 -11.089 1.00 63.02 H new ATOM 0 HE2 PHE A 36 45.112 15.738 -10.139 1.00 41.31 H new ATOM 0 HZ PHE A 36 47.205 16.829 -9.436 1.00 34.21 H new ATOM 505 N PHE A 37 43.629 16.239 -16.019 1.00 25.01 N ATOM 506 CA PHE A 37 42.198 16.314 -15.826 1.00 62.04 C ATOM 507 C PHE A 37 41.643 14.903 -15.938 1.00 14.13 C ATOM 508 O PHE A 37 42.318 14.019 -16.461 1.00 31.45 O ATOM 509 CB PHE A 37 41.568 17.240 -16.870 1.00 14.23 C ATOM 510 CG PHE A 37 40.325 17.938 -16.387 1.00 31.32 C ATOM 511 CD1 PHE A 37 39.072 17.395 -16.609 1.00 22.33 C ATOM 512 CD2 PHE A 37 40.417 19.143 -15.710 1.00 54.35 C ATOM 513 CE1 PHE A 37 37.934 18.038 -16.167 1.00 21.44 C ATOM 514 CE2 PHE A 37 39.282 19.792 -15.266 1.00 51.45 C ATOM 515 CZ PHE A 37 38.040 19.238 -15.495 1.00 44.14 C ATOM 0 H PHE A 37 43.907 15.761 -16.876 1.00 25.01 H new ATOM 0 HA PHE A 37 41.963 16.728 -14.845 1.00 62.04 H new ATOM 0 HB2 PHE A 37 42.302 17.989 -17.169 1.00 14.23 H new ATOM 0 HB3 PHE A 37 41.325 16.659 -17.759 1.00 14.23 H new ATOM 0 HD1 PHE A 37 38.983 16.456 -17.135 1.00 22.33 H new ATOM 0 HD2 PHE A 37 41.388 19.580 -15.527 1.00 54.35 H new ATOM 0 HE1 PHE A 37 36.962 17.603 -16.347 1.00 21.44 H new ATOM 0 HE2 PHE A 37 39.367 20.732 -14.740 1.00 51.45 H new ATOM 0 HZ PHE A 37 37.151 19.743 -15.148 1.00 44.14 H new ATOM 525 N LYS A 38 40.438 14.668 -15.466 1.00 43.23 N ATOM 526 CA LYS A 38 39.950 13.302 -15.387 1.00 35.22 C ATOM 527 C LYS A 38 38.509 13.167 -15.845 1.00 51.03 C ATOM 528 O LYS A 38 37.738 14.132 -15.864 1.00 30.24 O ATOM 529 CB LYS A 38 40.126 12.763 -13.964 1.00 15.03 C ATOM 530 CG LYS A 38 39.655 13.720 -12.885 1.00 64.22 C ATOM 531 CD LYS A 38 40.143 13.290 -11.516 1.00 33.25 C ATOM 532 CE LYS A 38 39.910 14.374 -10.480 1.00 40.42 C ATOM 533 NZ LYS A 38 40.539 14.030 -9.182 1.00 40.01 N1+ ATOM 0 H LYS A 38 39.789 15.383 -15.138 1.00 43.23 H new ATOM 0 HA LYS A 38 40.548 12.703 -16.074 1.00 35.22 H new ATOM 0 HB2 LYS A 38 39.578 11.826 -13.870 1.00 15.03 H new ATOM 0 HB3 LYS A 38 41.179 12.534 -13.800 1.00 15.03 H new ATOM 0 HG2 LYS A 38 40.017 14.725 -13.104 1.00 64.22 H new ATOM 0 HG3 LYS A 38 38.566 13.766 -12.887 1.00 64.22 H new ATOM 0 HD2 LYS A 38 39.627 12.379 -11.214 1.00 33.25 H new ATOM 0 HD3 LYS A 38 41.206 13.053 -11.565 1.00 33.25 H new ATOM 0 HE2 LYS A 38 40.315 15.319 -10.843 1.00 40.42 H new ATOM 0 HE3 LYS A 38 38.839 14.520 -10.339 1.00 40.42 H new ATOM 0 HZ1 LYS A 38 40.361 14.792 -8.497 1.00 40.01 H new ATOM 0 HZ2 LYS A 38 40.134 13.141 -8.825 1.00 40.01 H new ATOM 0 HZ3 LYS A 38 41.564 13.915 -9.313 1.00 40.01 H new ATOM 547 N ILE A 39 38.175 11.956 -16.240 1.00 41.44 N ATOM 548 CA ILE A 39 36.842 11.610 -16.680 1.00 3.01 C ATOM 549 C ILE A 39 36.303 10.516 -15.752 1.00 15.21 C ATOM 550 O ILE A 39 37.029 9.579 -15.434 1.00 30.24 O ATOM 551 CB ILE A 39 36.872 11.091 -18.135 1.00 12.45 C ATOM 552 CG1 ILE A 39 37.572 12.104 -19.047 1.00 11.22 C ATOM 553 CG2 ILE A 39 35.466 10.818 -18.634 1.00 43.02 C ATOM 554 CD1 ILE A 39 37.691 11.650 -20.489 1.00 42.02 C ATOM 0 H ILE A 39 38.831 11.175 -16.264 1.00 41.44 H new ATOM 0 HA ILE A 39 36.201 12.491 -16.645 1.00 3.01 H new ATOM 0 HB ILE A 39 37.432 10.156 -18.155 1.00 12.45 H new ATOM 0 HG12 ILE A 39 37.024 13.046 -19.016 1.00 11.22 H new ATOM 0 HG13 ILE A 39 38.569 12.303 -18.655 1.00 11.22 H new ATOM 0 HG21 ILE A 39 35.509 10.453 -19.660 1.00 43.02 H new ATOM 0 HG22 ILE A 39 34.995 10.066 -18.001 1.00 43.02 H new ATOM 0 HG23 ILE A 39 34.883 11.738 -18.600 1.00 43.02 H new ATOM 0 HD11 ILE A 39 38.197 12.419 -21.072 1.00 42.02 H new ATOM 0 HD12 ILE A 39 38.266 10.725 -20.533 1.00 42.02 H new ATOM 0 HD13 ILE A 39 36.696 11.479 -20.900 1.00 42.02 H new ATOM 566 N LYS A 40 35.053 10.611 -15.313 1.00 5.12 N ATOM 567 CA LYS A 40 34.553 9.653 -14.317 1.00 34.14 C ATOM 568 C LYS A 40 33.494 8.727 -14.903 1.00 65.10 C ATOM 569 O LYS A 40 33.324 7.592 -14.452 1.00 60.22 O ATOM 570 CB LYS A 40 34.006 10.383 -13.079 1.00 24.04 C ATOM 571 CG LYS A 40 32.909 11.396 -13.379 1.00 24.31 C ATOM 572 CD LYS A 40 32.305 11.954 -12.099 1.00 53.32 C ATOM 573 CE LYS A 40 33.356 12.621 -11.225 1.00 24.33 C ATOM 574 NZ LYS A 40 32.795 13.063 -9.922 1.00 41.13 N1+ ATOM 0 H LYS A 40 34.381 11.316 -15.615 1.00 5.12 H new ATOM 0 HA LYS A 40 35.398 9.036 -14.011 1.00 34.14 H new ATOM 0 HB2 LYS A 40 33.619 9.644 -12.378 1.00 24.04 H new ATOM 0 HB3 LYS A 40 34.829 10.894 -12.581 1.00 24.04 H new ATOM 0 HG2 LYS A 40 33.318 12.211 -13.976 1.00 24.31 H new ATOM 0 HG3 LYS A 40 32.129 10.924 -13.976 1.00 24.31 H new ATOM 0 HD2 LYS A 40 31.527 12.676 -12.348 1.00 53.32 H new ATOM 0 HD3 LYS A 40 31.826 11.149 -11.542 1.00 53.32 H new ATOM 0 HE2 LYS A 40 34.177 11.925 -11.050 1.00 24.33 H new ATOM 0 HE3 LYS A 40 33.773 13.480 -11.751 1.00 24.33 H new ATOM 0 HZ1 LYS A 40 33.543 13.512 -9.356 1.00 41.13 H new ATOM 0 HZ2 LYS A 40 32.029 13.746 -10.088 1.00 41.13 H new ATOM 0 HZ3 LYS A 40 32.420 12.240 -9.408 1.00 41.13 H new ATOM 588 N ARG A 41 32.789 9.219 -15.898 1.00 61.11 N ATOM 589 CA ARG A 41 31.766 8.453 -16.585 1.00 55.41 C ATOM 590 C ARG A 41 31.788 8.884 -18.036 1.00 11.40 C ATOM 591 O ARG A 41 32.643 9.689 -18.399 1.00 73.11 O ATOM 592 CB ARG A 41 30.401 8.705 -15.941 1.00 22.45 C ATOM 593 CG ARG A 41 29.334 7.686 -16.312 1.00 52.54 C ATOM 594 CD ARG A 41 28.102 7.846 -15.440 1.00 73.40 C ATOM 595 NE ARG A 41 28.428 7.702 -14.024 1.00 54.01 N ATOM 596 CZ ARG A 41 28.078 8.577 -13.083 1.00 61.02 C ATOM 597 NH1 ARG A 41 27.395 9.671 -13.398 1.00 20.44 N1+ ATOM 598 NH2 ARG A 41 28.406 8.358 -11.821 1.00 0.21 N ATOM 0 H ARG A 41 32.908 10.166 -16.257 1.00 61.11 H new ATOM 0 HA ARG A 41 31.955 7.382 -16.515 1.00 55.41 H new ATOM 0 HB2 ARG A 41 30.519 8.711 -14.857 1.00 22.45 H new ATOM 0 HB3 ARG A 41 30.054 9.697 -16.229 1.00 22.45 H new ATOM 0 HG2 ARG A 41 29.060 7.806 -17.360 1.00 52.54 H new ATOM 0 HG3 ARG A 41 29.734 6.678 -16.201 1.00 52.54 H new ATOM 0 HD2 ARG A 41 27.656 8.825 -15.614 1.00 73.40 H new ATOM 0 HD3 ARG A 41 27.357 7.102 -15.721 1.00 73.40 H new ATOM 0 HE ARG A 41 28.958 6.879 -13.737 1.00 54.01 H new ATOM 0 HH11 ARG A 41 27.134 9.847 -14.368 1.00 20.44 H new ATOM 0 HH12 ARG A 41 27.132 10.335 -12.670 1.00 20.44 H new ATOM 0 HH21 ARG A 41 28.927 7.519 -11.568 1.00 0.21 H new ATOM 0 HH22 ARG A 41 28.138 9.028 -11.101 1.00 0.21 H new ATOM 612 N LYS A 42 30.904 8.360 -18.877 1.00 54.02 N ATOM 613 CA LYS A 42 30.855 8.832 -20.250 1.00 62.15 C ATOM 614 C LYS A 42 30.533 10.320 -20.278 1.00 3.33 C ATOM 615 O LYS A 42 29.383 10.739 -20.116 1.00 72.44 O ATOM 616 CB LYS A 42 29.852 8.041 -21.096 1.00 51.35 C ATOM 617 CG LYS A 42 28.459 7.924 -20.493 1.00 53.14 C ATOM 618 CD LYS A 42 27.534 7.130 -21.400 1.00 3.24 C ATOM 619 CE LYS A 42 26.117 7.067 -20.852 1.00 73.02 C ATOM 620 NZ LYS A 42 25.447 8.395 -20.876 1.00 32.32 N1+ ATOM 0 H LYS A 42 30.232 7.630 -18.640 1.00 54.02 H new ATOM 0 HA LYS A 42 31.838 8.671 -20.692 1.00 62.15 H new ATOM 0 HB2 LYS A 42 29.770 8.515 -22.074 1.00 51.35 H new ATOM 0 HB3 LYS A 42 30.247 7.038 -21.259 1.00 51.35 H new ATOM 0 HG2 LYS A 42 28.521 7.440 -19.518 1.00 53.14 H new ATOM 0 HG3 LYS A 42 28.046 8.919 -20.329 1.00 53.14 H new ATOM 0 HD2 LYS A 42 27.520 7.584 -22.391 1.00 3.24 H new ATOM 0 HD3 LYS A 42 27.922 6.118 -21.518 1.00 3.24 H new ATOM 0 HE2 LYS A 42 25.534 6.357 -21.438 1.00 73.02 H new ATOM 0 HE3 LYS A 42 26.141 6.692 -19.829 1.00 73.02 H new ATOM 0 HZ1 LYS A 42 24.437 8.278 -20.656 1.00 32.32 H new ATOM 0 HZ2 LYS A 42 25.886 9.018 -20.168 1.00 32.32 H new ATOM 0 HZ3 LYS A 42 25.549 8.818 -21.821 1.00 32.32 H new ATOM 634 N THR A 43 31.577 11.108 -20.441 1.00 11.20 N ATOM 635 CA THR A 43 31.451 12.539 -20.574 1.00 30.45 C ATOM 636 C THR A 43 32.223 12.988 -21.799 1.00 71.22 C ATOM 637 O THR A 43 33.445 12.819 -21.862 1.00 12.31 O ATOM 638 CB THR A 43 31.967 13.296 -19.325 1.00 43.34 C ATOM 639 OG1 THR A 43 33.337 12.972 -19.074 1.00 31.45 O ATOM 640 CG2 THR A 43 31.132 12.963 -18.098 1.00 44.42 C ATOM 0 H THR A 43 32.538 10.769 -20.485 1.00 11.20 H new ATOM 0 HA THR A 43 30.392 12.775 -20.677 1.00 30.45 H new ATOM 0 HB THR A 43 31.880 14.364 -19.526 1.00 43.34 H new ATOM 0 HG1 THR A 43 33.790 12.787 -19.923 1.00 31.45 H new ATOM 0 HG21 THR A 43 31.517 13.509 -17.237 1.00 44.42 H new ATOM 0 HG22 THR A 43 30.095 13.249 -18.275 1.00 44.42 H new ATOM 0 HG23 THR A 43 31.184 11.892 -17.902 1.00 44.42 H new ATOM 648 N LYS A 44 31.502 13.492 -22.788 1.00 62.32 N ATOM 649 CA LYS A 44 32.118 14.004 -24.008 1.00 25.23 C ATOM 650 C LYS A 44 33.268 14.968 -23.700 1.00 4.31 C ATOM 651 O LYS A 44 33.288 15.630 -22.657 1.00 45.53 O ATOM 652 CB LYS A 44 31.083 14.690 -24.911 1.00 50.13 C ATOM 653 CG LYS A 44 30.287 15.804 -24.246 1.00 21.31 C ATOM 654 CD LYS A 44 29.076 15.271 -23.497 1.00 45.42 C ATOM 655 CE LYS A 44 28.218 16.399 -22.945 1.00 25.02 C ATOM 656 NZ LYS A 44 27.705 17.293 -24.020 1.00 21.22 N1+ ATOM 0 H LYS A 44 30.484 13.559 -22.772 1.00 62.32 H new ATOM 0 HA LYS A 44 32.527 13.145 -24.540 1.00 25.23 H new ATOM 0 HB2 LYS A 44 31.597 15.100 -25.780 1.00 50.13 H new ATOM 0 HB3 LYS A 44 30.387 13.936 -25.278 1.00 50.13 H new ATOM 0 HG2 LYS A 44 30.931 16.346 -23.554 1.00 21.31 H new ATOM 0 HG3 LYS A 44 29.960 16.517 -25.003 1.00 21.31 H new ATOM 0 HD2 LYS A 44 28.478 14.652 -24.165 1.00 45.42 H new ATOM 0 HD3 LYS A 44 29.406 14.631 -22.679 1.00 45.42 H new ATOM 0 HE2 LYS A 44 27.378 15.978 -22.393 1.00 25.02 H new ATOM 0 HE3 LYS A 44 28.803 16.985 -22.236 1.00 25.02 H new ATOM 0 HZ1 LYS A 44 26.958 17.906 -23.635 1.00 21.22 H new ATOM 0 HZ2 LYS A 44 28.482 17.881 -24.383 1.00 21.22 H new ATOM 0 HZ3 LYS A 44 27.316 16.717 -24.794 1.00 21.22 H new ATOM 670 N LEU A 45 34.204 15.055 -24.641 1.00 35.14 N ATOM 671 CA LEU A 45 35.445 15.815 -24.464 1.00 14.24 C ATOM 672 C LEU A 45 35.173 17.307 -24.268 1.00 21.03 C ATOM 673 O LEU A 45 36.060 18.061 -23.868 1.00 72.43 O ATOM 674 CB LEU A 45 36.345 15.610 -25.686 1.00 45.14 C ATOM 675 CG LEU A 45 36.746 14.160 -25.965 1.00 62.15 C ATOM 676 CD1 LEU A 45 37.293 14.017 -27.376 1.00 1.23 C ATOM 677 CD2 LEU A 45 37.776 13.688 -24.952 1.00 32.21 C ATOM 0 H LEU A 45 34.126 14.601 -25.551 1.00 35.14 H new ATOM 0 HA LEU A 45 35.941 15.448 -23.566 1.00 14.24 H new ATOM 0 HB2 LEU A 45 35.833 16.004 -26.564 1.00 45.14 H new ATOM 0 HB3 LEU A 45 37.251 16.201 -25.553 1.00 45.14 H new ATOM 0 HG LEU A 45 35.856 13.537 -25.874 1.00 62.15 H new ATOM 0 HD11 LEU A 45 37.572 12.979 -27.554 1.00 1.23 H new ATOM 0 HD12 LEU A 45 36.530 14.316 -28.094 1.00 1.23 H new ATOM 0 HD13 LEU A 45 38.170 14.654 -27.493 1.00 1.23 H new ATOM 0 HD21 LEU A 45 38.050 12.655 -25.166 1.00 32.21 H new ATOM 0 HD22 LEU A 45 38.663 14.319 -25.014 1.00 32.21 H new ATOM 0 HD23 LEU A 45 37.355 13.752 -23.949 1.00 32.21 H new ATOM 689 N GLU A 46 33.940 17.714 -24.542 1.00 23.02 N ATOM 690 CA GLU A 46 33.534 19.109 -24.424 1.00 4.12 C ATOM 691 C GLU A 46 33.772 19.639 -23.014 1.00 12.14 C ATOM 692 O GLU A 46 34.304 20.728 -22.836 1.00 22.14 O ATOM 693 CB GLU A 46 32.058 19.259 -24.789 1.00 14.42 C ATOM 694 CG GLU A 46 31.716 18.695 -26.158 1.00 64.54 C ATOM 695 CD GLU A 46 30.246 18.824 -26.494 1.00 23.41 C ATOM 696 OE1 GLU A 46 29.407 18.451 -25.649 1.00 71.11 O ATOM 697 OE2 GLU A 46 29.922 19.277 -27.611 1.00 72.42 O1- ATOM 0 H GLU A 46 33.196 17.089 -24.851 1.00 23.02 H new ATOM 0 HA GLU A 46 34.141 19.693 -25.115 1.00 4.12 H new ATOM 0 HB2 GLU A 46 31.452 18.757 -24.035 1.00 14.42 H new ATOM 0 HB3 GLU A 46 31.790 20.315 -24.762 1.00 14.42 H new ATOM 0 HG2 GLU A 46 32.304 19.212 -26.916 1.00 64.54 H new ATOM 0 HG3 GLU A 46 32.002 17.644 -26.195 1.00 64.54 H new ATOM 704 N LYS A 47 33.409 18.856 -22.005 1.00 62.41 N ATOM 705 CA LYS A 47 33.528 19.319 -20.627 1.00 33.34 C ATOM 706 C LYS A 47 34.998 19.423 -20.220 1.00 42.22 C ATOM 707 O LYS A 47 35.365 20.278 -19.418 1.00 54.00 O ATOM 708 CB LYS A 47 32.740 18.411 -19.667 1.00 45.33 C ATOM 709 CG LYS A 47 33.363 17.049 -19.396 1.00 32.31 C ATOM 710 CD LYS A 47 34.272 17.083 -18.175 1.00 42.23 C ATOM 711 CE LYS A 47 34.806 15.701 -17.834 1.00 42.04 C ATOM 712 NZ LYS A 47 35.598 15.715 -16.574 1.00 24.31 N1+ ATOM 0 H LYS A 47 33.036 17.913 -22.111 1.00 62.41 H new ATOM 0 HA LYS A 47 33.091 20.316 -20.562 1.00 33.34 H new ATOM 0 HB2 LYS A 47 32.621 18.932 -18.717 1.00 45.33 H new ATOM 0 HB3 LYS A 47 31.741 18.260 -20.075 1.00 45.33 H new ATOM 0 HG2 LYS A 47 32.575 16.311 -19.244 1.00 32.31 H new ATOM 0 HG3 LYS A 47 33.935 16.730 -20.267 1.00 32.31 H new ATOM 0 HD2 LYS A 47 35.106 17.760 -18.361 1.00 42.23 H new ATOM 0 HD3 LYS A 47 33.722 17.481 -17.322 1.00 42.23 H new ATOM 0 HE2 LYS A 47 33.974 15.004 -17.734 1.00 42.04 H new ATOM 0 HE3 LYS A 47 35.429 15.339 -18.652 1.00 42.04 H new ATOM 0 HZ1 LYS A 47 36.593 15.498 -16.787 1.00 24.31 H new ATOM 0 HZ2 LYS A 47 35.535 16.655 -16.135 1.00 24.31 H new ATOM 0 HZ3 LYS A 47 35.221 15.001 -15.919 1.00 24.31 H new ATOM 726 N LEU A 48 35.836 18.570 -20.803 1.00 14.11 N ATOM 727 CA LEU A 48 37.271 18.582 -20.525 1.00 44.42 C ATOM 728 C LEU A 48 37.879 19.920 -20.932 1.00 0.14 C ATOM 729 O LEU A 48 38.812 20.408 -20.298 1.00 70.35 O ATOM 730 CB LEU A 48 37.964 17.447 -21.280 1.00 44.10 C ATOM 731 CG LEU A 48 37.600 16.038 -20.812 1.00 40.42 C ATOM 732 CD1 LEU A 48 38.190 15.002 -21.754 1.00 3.42 C ATOM 733 CD2 LEU A 48 38.093 15.807 -19.395 1.00 0.32 C ATOM 0 H LEU A 48 35.545 17.859 -21.474 1.00 14.11 H new ATOM 0 HA LEU A 48 37.417 18.439 -19.454 1.00 44.42 H new ATOM 0 HB2 LEU A 48 37.721 17.535 -22.339 1.00 44.10 H new ATOM 0 HB3 LEU A 48 39.042 17.576 -21.188 1.00 44.10 H new ATOM 0 HG LEU A 48 36.515 15.938 -20.820 1.00 40.42 H new ATOM 0 HD11 LEU A 48 37.923 14.003 -21.409 1.00 3.42 H new ATOM 0 HD12 LEU A 48 37.795 15.157 -22.758 1.00 3.42 H new ATOM 0 HD13 LEU A 48 39.275 15.102 -21.771 1.00 3.42 H new ATOM 0 HD21 LEU A 48 37.826 14.799 -19.077 1.00 0.32 H new ATOM 0 HD22 LEU A 48 39.176 15.922 -19.363 1.00 0.32 H new ATOM 0 HD23 LEU A 48 37.631 16.533 -18.726 1.00 0.32 H new ATOM 745 N MET A 49 37.330 20.514 -21.985 1.00 43.23 N ATOM 746 CA MET A 49 37.856 21.766 -22.509 1.00 60.12 C ATOM 747 C MET A 49 37.062 22.976 -22.010 1.00 53.42 C ATOM 748 O MET A 49 37.618 24.065 -21.878 1.00 5.35 O ATOM 749 CB MET A 49 37.882 21.743 -24.042 1.00 51.40 C ATOM 750 CG MET A 49 36.509 21.665 -24.689 1.00 63.31 C ATOM 751 SD MET A 49 36.593 21.533 -26.482 1.00 50.54 S ATOM 752 CE MET A 49 34.852 21.538 -26.907 1.00 11.13 C ATOM 0 H MET A 49 36.523 20.149 -22.491 1.00 43.23 H new ATOM 0 HA MET A 49 38.876 21.866 -22.138 1.00 60.12 H new ATOM 0 HB2 MET A 49 38.389 22.640 -24.399 1.00 51.40 H new ATOM 0 HB3 MET A 49 38.475 20.890 -24.371 1.00 51.40 H new ATOM 0 HG2 MET A 49 35.972 20.804 -24.290 1.00 63.31 H new ATOM 0 HG3 MET A 49 35.934 22.551 -24.420 1.00 63.31 H new ATOM 0 HE1 MET A 49 34.541 20.529 -27.179 1.00 11.13 H new ATOM 0 HE2 MET A 49 34.270 21.879 -26.051 1.00 11.13 H new ATOM 0 HE3 MET A 49 34.685 22.209 -27.750 1.00 11.13 H new ATOM 762 N GLU A 50 35.774 22.802 -21.721 1.00 62.40 N ATOM 763 CA GLU A 50 34.956 23.928 -21.270 1.00 61.02 C ATOM 764 C GLU A 50 35.215 24.246 -19.805 1.00 64.22 C ATOM 765 O GLU A 50 35.161 25.406 -19.403 1.00 60.03 O ATOM 766 CB GLU A 50 33.466 23.690 -21.495 1.00 62.50 C ATOM 767 CG GLU A 50 33.083 23.568 -22.960 1.00 60.44 C ATOM 768 CD GLU A 50 31.585 23.570 -23.167 1.00 51.34 C ATOM 769 OE1 GLU A 50 31.063 24.529 -23.774 1.00 24.22 O ATOM 770 OE2 GLU A 50 30.916 22.625 -22.709 1.00 23.12 O1- ATOM 0 H GLU A 50 35.281 21.912 -21.789 1.00 62.40 H new ATOM 0 HA GLU A 50 35.252 24.784 -21.876 1.00 61.02 H new ATOM 0 HB2 GLU A 50 33.169 22.780 -20.974 1.00 62.50 H new ATOM 0 HB3 GLU A 50 32.904 24.510 -21.049 1.00 62.50 H new ATOM 0 HG2 GLU A 50 33.525 24.393 -23.518 1.00 60.44 H new ATOM 0 HG3 GLU A 50 33.502 22.648 -23.367 1.00 60.44 H new ATOM 777 N VAL A 51 35.497 23.229 -18.998 1.00 23.21 N ATOM 778 CA VAL A 51 35.938 23.479 -17.633 1.00 24.13 C ATOM 779 C VAL A 51 37.281 24.208 -17.669 1.00 13.12 C ATOM 780 O VAL A 51 37.579 25.047 -16.817 1.00 53.21 O ATOM 781 CB VAL A 51 36.060 22.178 -16.806 1.00 43.11 C ATOM 782 CG1 VAL A 51 36.612 22.464 -15.413 1.00 70.21 C ATOM 783 CG2 VAL A 51 34.707 21.484 -16.703 1.00 72.35 C ATOM 0 H VAL A 51 35.430 22.245 -19.258 1.00 23.21 H new ATOM 0 HA VAL A 51 35.185 24.096 -17.143 1.00 24.13 H new ATOM 0 HB VAL A 51 36.757 21.517 -17.320 1.00 43.11 H new ATOM 0 HG11 VAL A 51 36.687 21.532 -14.853 1.00 70.21 H new ATOM 0 HG12 VAL A 51 37.600 22.917 -15.499 1.00 70.21 H new ATOM 0 HG13 VAL A 51 35.944 23.148 -14.890 1.00 70.21 H new ATOM 0 HG21 VAL A 51 34.810 20.570 -16.118 1.00 72.35 H new ATOM 0 HG22 VAL A 51 33.994 22.148 -16.215 1.00 72.35 H new ATOM 0 HG23 VAL A 51 34.348 21.236 -17.702 1.00 72.35 H new ATOM 793 N TYR A 52 38.069 23.907 -18.696 1.00 25.31 N ATOM 794 CA TYR A 52 39.346 24.571 -18.899 1.00 60.25 C ATOM 795 C TYR A 52 39.150 26.017 -19.343 1.00 22.34 C ATOM 796 O TYR A 52 39.965 26.874 -19.013 1.00 70.03 O ATOM 797 CB TYR A 52 40.209 23.810 -19.908 1.00 50.21 C ATOM 798 CG TYR A 52 41.372 23.087 -19.268 1.00 54.44 C ATOM 799 CD1 TYR A 52 42.645 23.644 -19.279 1.00 10.40 C ATOM 800 CD2 TYR A 52 41.197 21.862 -18.634 1.00 35.44 C ATOM 801 CE1 TYR A 52 43.709 23.000 -18.684 1.00 44.31 C ATOM 802 CE2 TYR A 52 42.259 21.212 -18.039 1.00 2.44 C ATOM 803 CZ TYR A 52 43.511 21.786 -18.064 1.00 61.10 C ATOM 804 OH TYR A 52 44.567 21.148 -17.464 1.00 70.14 O ATOM 0 H TYR A 52 37.842 23.205 -19.401 1.00 25.31 H new ATOM 0 HA TYR A 52 39.869 24.578 -17.943 1.00 60.25 H new ATOM 0 HB2 TYR A 52 39.587 23.088 -20.437 1.00 50.21 H new ATOM 0 HB3 TYR A 52 40.589 24.510 -20.652 1.00 50.21 H new ATOM 0 HD1 TYR A 52 42.804 24.597 -19.762 1.00 10.40 H new ATOM 0 HD2 TYR A 52 40.215 21.413 -18.607 1.00 35.44 H new ATOM 0 HE1 TYR A 52 44.693 23.445 -18.704 1.00 44.31 H new ATOM 0 HE2 TYR A 52 42.109 20.258 -17.556 1.00 2.44 H new ATOM 0 HH TYR A 52 44.568 20.203 -17.723 1.00 70.14 H new ATOM 814 N CYS A 53 38.071 26.287 -20.084 1.00 62.33 N ATOM 815 CA CYS A 53 37.702 27.656 -20.430 1.00 41.30 C ATOM 816 C CYS A 53 37.680 28.540 -19.182 1.00 4.33 C ATOM 817 O CYS A 53 38.251 29.628 -19.161 1.00 34.34 O ATOM 818 CB CYS A 53 36.330 27.674 -21.104 1.00 62.10 C ATOM 819 SG CYS A 53 36.226 26.658 -22.596 1.00 24.41 S ATOM 0 H CYS A 53 37.441 25.575 -20.453 1.00 62.33 H new ATOM 0 HA CYS A 53 38.447 28.050 -21.122 1.00 41.30 H new ATOM 0 HB2 CYS A 53 35.582 27.329 -20.390 1.00 62.10 H new ATOM 0 HB3 CYS A 53 36.076 28.703 -21.360 1.00 62.10 H new ATOM 0 HG CYS A 53 36.842 25.530 -22.397 1.00 24.41 H new ATOM 825 N ASN A 54 37.045 28.044 -18.129 1.00 31.24 N ATOM 826 CA ASN A 54 36.937 28.792 -16.883 1.00 23.21 C ATOM 827 C ASN A 54 38.245 28.721 -16.094 1.00 50.15 C ATOM 828 O ASN A 54 38.614 29.664 -15.392 1.00 44.41 O ATOM 829 CB ASN A 54 35.785 28.241 -16.037 1.00 60.32 C ATOM 830 CG ASN A 54 35.530 29.075 -14.797 1.00 62.25 C ATOM 831 OD1 ASN A 54 36.143 28.862 -13.755 1.00 53.02 O ATOM 832 ND2 ASN A 54 34.603 30.012 -14.894 1.00 23.34 N ATOM 0 H ASN A 54 36.597 27.128 -18.112 1.00 31.24 H new ATOM 0 HA ASN A 54 36.736 29.836 -17.125 1.00 23.21 H new ATOM 0 HB2 ASN A 54 34.878 28.206 -16.641 1.00 60.32 H new ATOM 0 HB3 ASN A 54 36.012 27.216 -15.742 1.00 60.32 H new ATOM 0 HD21 ASN A 54 34.375 30.589 -14.085 1.00 23.34 H new ATOM 0 HD22 ASN A 54 34.116 30.158 -15.778 1.00 23.34 H new ATOM 839 N ARG A 55 38.946 27.601 -16.226 1.00 12.20 N ATOM 840 CA ARG A 55 40.189 27.376 -15.495 1.00 42.42 C ATOM 841 C ARG A 55 41.288 28.311 -16.001 1.00 32.14 C ATOM 842 O ARG A 55 42.067 28.849 -15.217 1.00 34.11 O ATOM 843 CB ARG A 55 40.612 25.907 -15.646 1.00 23.13 C ATOM 844 CG ARG A 55 41.512 25.376 -14.532 1.00 12.33 C ATOM 845 CD ARG A 55 42.948 25.865 -14.650 1.00 14.04 C ATOM 846 NE ARG A 55 43.810 25.277 -13.623 1.00 32.42 N ATOM 847 CZ ARG A 55 45.142 25.342 -13.634 1.00 13.03 C ATOM 848 NH1 ARG A 55 45.778 25.981 -14.613 1.00 74.42 N1+ ATOM 849 NH2 ARG A 55 45.839 24.767 -12.666 1.00 31.52 N ATOM 0 H ARG A 55 38.673 26.830 -16.836 1.00 12.20 H new ATOM 0 HA ARG A 55 40.027 27.592 -14.439 1.00 42.42 H new ATOM 0 HB2 ARG A 55 39.715 25.289 -15.693 1.00 23.13 H new ATOM 0 HB3 ARG A 55 41.130 25.790 -16.598 1.00 23.13 H new ATOM 0 HG2 ARG A 55 41.107 25.682 -13.567 1.00 12.33 H new ATOM 0 HG3 ARG A 55 41.501 24.286 -14.551 1.00 12.33 H new ATOM 0 HD2 ARG A 55 43.337 25.615 -15.637 1.00 14.04 H new ATOM 0 HD3 ARG A 55 42.970 26.951 -14.564 1.00 14.04 H new ATOM 0 HE ARG A 55 43.363 24.786 -12.849 1.00 32.42 H new ATOM 0 HH11 ARG A 55 45.246 26.425 -15.362 1.00 74.42 H new ATOM 0 HH12 ARG A 55 46.797 26.027 -14.615 1.00 74.42 H new ATOM 0 HH21 ARG A 55 45.357 24.275 -11.913 1.00 31.52 H new ATOM 0 HH22 ARG A 55 46.858 24.816 -12.673 1.00 31.52 H new ATOM 863 N LEU A 56 41.342 28.503 -17.313 1.00 75.42 N ATOM 864 CA LEU A 56 42.365 29.351 -17.917 1.00 60.21 C ATOM 865 C LEU A 56 41.910 30.805 -17.973 1.00 22.05 C ATOM 866 O LEU A 56 42.730 31.719 -18.066 1.00 73.52 O ATOM 867 CB LEU A 56 42.692 28.860 -19.330 1.00 50.30 C ATOM 868 CG LEU A 56 43.190 27.416 -19.420 1.00 25.35 C ATOM 869 CD1 LEU A 56 43.430 27.030 -20.871 1.00 0.31 C ATOM 870 CD2 LEU A 56 44.461 27.242 -18.601 1.00 31.13 C ATOM 0 H LEU A 56 40.692 28.085 -17.979 1.00 75.42 H new ATOM 0 HA LEU A 56 43.259 29.292 -17.296 1.00 60.21 H new ATOM 0 HB2 LEU A 56 41.799 28.958 -19.947 1.00 50.30 H new ATOM 0 HB3 LEU A 56 43.450 29.516 -19.759 1.00 50.30 H new ATOM 0 HG LEU A 56 42.425 26.756 -19.010 1.00 25.35 H new ATOM 0 HD11 LEU A 56 43.784 26.000 -20.920 1.00 0.31 H new ATOM 0 HD12 LEU A 56 42.499 27.121 -21.430 1.00 0.31 H new ATOM 0 HD13 LEU A 56 44.179 27.692 -21.304 1.00 0.31 H new ATOM 0 HD21 LEU A 56 44.803 26.210 -18.675 1.00 31.13 H new ATOM 0 HD22 LEU A 56 45.234 27.909 -18.983 1.00 31.13 H new ATOM 0 HD23 LEU A 56 44.257 27.483 -17.558 1.00 31.13 H new ATOM 882 N GLY A 57 40.601 31.011 -17.917 1.00 1.41 N ATOM 883 CA GLY A 57 40.060 32.352 -17.966 1.00 43.53 C ATOM 884 C GLY A 57 39.682 32.764 -19.372 1.00 60.04 C ATOM 885 O GLY A 57 39.152 33.853 -19.590 1.00 13.12 O ATOM 0 H GLY A 57 39.904 30.271 -17.838 1.00 1.41 H new ATOM 0 HA2 GLY A 57 39.182 32.411 -17.323 1.00 43.53 H new ATOM 0 HA3 GLY A 57 40.794 33.053 -17.569 1.00 43.53 H new ATOM 889 N GLN A 58 39.947 31.884 -20.324 1.00 5.23 N ATOM 890 CA GLN A 58 39.623 32.138 -21.715 1.00 75.33 C ATOM 891 C GLN A 58 38.751 31.006 -22.238 1.00 45.23 C ATOM 892 O GLN A 58 39.086 29.834 -22.077 1.00 23.22 O ATOM 893 CB GLN A 58 40.911 32.252 -22.538 1.00 11.42 C ATOM 894 CG GLN A 58 40.701 32.706 -23.975 1.00 44.44 C ATOM 895 CD GLN A 58 40.073 34.084 -24.069 1.00 61.21 C ATOM 896 OE1 GLN A 58 40.768 35.099 -24.045 1.00 43.03 O ATOM 897 NE2 GLN A 58 38.758 34.130 -24.213 1.00 21.11 N ATOM 0 H GLN A 58 40.389 30.981 -20.155 1.00 5.23 H new ATOM 0 HA GLN A 58 39.077 33.078 -21.802 1.00 75.33 H new ATOM 0 HB2 GLN A 58 41.583 32.953 -22.043 1.00 11.42 H new ATOM 0 HB3 GLN A 58 41.410 31.283 -22.545 1.00 11.42 H new ATOM 0 HG2 GLN A 58 41.660 32.712 -24.493 1.00 44.44 H new ATOM 0 HG3 GLN A 58 40.065 31.986 -24.490 1.00 44.44 H new ATOM 0 HE21 GLN A 58 38.216 33.266 -24.228 1.00 21.11 H new ATOM 0 HE22 GLN A 58 38.287 35.029 -24.309 1.00 21.11 H new ATOM 906 N SER A 59 37.641 31.359 -22.862 1.00 14.32 N ATOM 907 CA SER A 59 36.674 30.371 -23.304 1.00 21.14 C ATOM 908 C SER A 59 37.072 29.719 -24.636 1.00 30.15 C ATOM 909 O SER A 59 38.082 30.078 -25.249 1.00 21.13 O ATOM 910 CB SER A 59 35.296 31.014 -23.379 1.00 31.20 C ATOM 911 OG SER A 59 35.349 32.239 -24.093 1.00 0.21 O ATOM 0 H SER A 59 37.387 32.324 -23.074 1.00 14.32 H new ATOM 0 HA SER A 59 36.650 29.562 -22.574 1.00 21.14 H new ATOM 0 HB2 SER A 59 34.598 30.333 -23.867 1.00 31.20 H new ATOM 0 HB3 SER A 59 34.917 31.191 -22.372 1.00 31.20 H new ATOM 0 HG SER A 59 35.480 32.056 -25.047 1.00 0.21 H new ATOM 917 N MET A 60 36.241 28.781 -25.086 1.00 4.23 N ATOM 918 CA MET A 60 36.626 27.814 -26.111 1.00 54.32 C ATOM 919 C MET A 60 36.652 28.373 -27.543 1.00 62.24 C ATOM 920 O MET A 60 37.236 27.752 -28.427 1.00 52.30 O ATOM 921 CB MET A 60 35.730 26.571 -26.020 1.00 53.34 C ATOM 922 CG MET A 60 34.236 26.854 -26.101 1.00 74.42 C ATOM 923 SD MET A 60 33.661 27.209 -27.775 1.00 3.20 S ATOM 924 CE MET A 60 31.920 27.504 -27.474 1.00 21.54 C ATOM 0 H MET A 60 35.284 28.670 -24.751 1.00 4.23 H new ATOM 0 HA MET A 60 37.661 27.545 -25.899 1.00 54.32 H new ATOM 0 HB2 MET A 60 36.000 25.886 -26.824 1.00 53.34 H new ATOM 0 HB3 MET A 60 35.938 26.058 -25.081 1.00 53.34 H new ATOM 0 HG2 MET A 60 33.690 25.995 -25.712 1.00 74.42 H new ATOM 0 HG3 MET A 60 33.999 27.701 -25.457 1.00 74.42 H new ATOM 0 HE1 MET A 60 31.422 27.738 -28.415 1.00 21.54 H new ATOM 0 HE2 MET A 60 31.470 26.612 -27.037 1.00 21.54 H new ATOM 0 HE3 MET A 60 31.807 28.342 -26.786 1.00 21.54 H new ATOM 934 N GLU A 61 36.037 29.525 -27.794 1.00 23.42 N ATOM 935 CA GLU A 61 36.084 30.111 -29.139 1.00 74.42 C ATOM 936 C GLU A 61 37.464 30.711 -29.410 1.00 75.51 C ATOM 937 O GLU A 61 37.793 31.075 -30.539 1.00 20.42 O ATOM 938 CB GLU A 61 34.990 31.173 -29.346 1.00 42.44 C ATOM 939 CG GLU A 61 35.054 32.345 -28.380 1.00 61.05 C ATOM 940 CD GLU A 61 34.251 32.104 -27.122 1.00 11.12 C ATOM 941 OE1 GLU A 61 34.619 31.209 -26.340 1.00 22.14 O ATOM 942 OE2 GLU A 61 33.250 32.815 -26.903 1.00 34.12 O1- ATOM 0 H GLU A 61 35.511 30.064 -27.106 1.00 23.42 H new ATOM 0 HA GLU A 61 35.896 29.307 -29.850 1.00 74.42 H new ATOM 0 HB2 GLU A 61 35.061 31.555 -30.365 1.00 42.44 H new ATOM 0 HB3 GLU A 61 34.015 30.694 -29.252 1.00 42.44 H new ATOM 0 HG2 GLU A 61 36.094 32.535 -28.113 1.00 61.05 H new ATOM 0 HG3 GLU A 61 34.684 33.242 -28.877 1.00 61.05 H new ATOM 949 N ALA A 62 38.274 30.787 -28.365 1.00 52.12 N ATOM 950 CA ALA A 62 39.611 31.329 -28.451 1.00 65.21 C ATOM 951 C ALA A 62 40.641 30.218 -28.302 1.00 34.10 C ATOM 952 O ALA A 62 41.833 30.484 -28.148 1.00 64.00 O ATOM 953 CB ALA A 62 39.816 32.401 -27.394 1.00 61.24 C ATOM 0 H ALA A 62 38.016 30.471 -27.430 1.00 52.12 H new ATOM 0 HA ALA A 62 39.741 31.788 -29.431 1.00 65.21 H new ATOM 0 HB1 ALA A 62 40.828 32.800 -27.471 1.00 61.24 H new ATOM 0 HB2 ALA A 62 39.096 33.205 -27.547 1.00 61.24 H new ATOM 0 HB3 ALA A 62 39.671 31.968 -26.404 1.00 61.24 H new ATOM 959 N VAL A 63 40.176 28.969 -28.345 1.00 73.13 N ATOM 960 CA VAL A 63 41.071 27.818 -28.316 1.00 24.42 C ATOM 961 C VAL A 63 40.610 26.724 -29.287 1.00 55.34 C ATOM 962 O VAL A 63 39.486 26.232 -29.209 1.00 73.14 O ATOM 963 CB VAL A 63 41.222 27.217 -26.891 1.00 61.35 C ATOM 964 CG1 VAL A 63 41.970 28.172 -25.972 1.00 71.21 C ATOM 965 CG2 VAL A 63 39.870 26.862 -26.293 1.00 55.25 C ATOM 0 H VAL A 63 39.186 28.732 -28.400 1.00 73.13 H new ATOM 0 HA VAL A 63 42.046 28.189 -28.631 1.00 24.42 H new ATOM 0 HB VAL A 63 41.803 26.300 -26.985 1.00 61.35 H new ATOM 0 HG11 VAL A 63 42.062 27.727 -24.981 1.00 71.21 H new ATOM 0 HG12 VAL A 63 42.964 28.363 -26.377 1.00 71.21 H new ATOM 0 HG13 VAL A 63 41.421 29.111 -25.898 1.00 71.21 H new ATOM 0 HG21 VAL A 63 40.011 26.444 -25.296 1.00 55.25 H new ATOM 0 HG22 VAL A 63 39.255 27.759 -26.226 1.00 55.25 H new ATOM 0 HG23 VAL A 63 39.373 26.128 -26.927 1.00 55.25 H new ATOM 975 N ARG A 64 41.478 26.364 -30.225 1.00 62.12 N ATOM 976 CA ARG A 64 41.206 25.252 -31.128 1.00 22.32 C ATOM 977 C ARG A 64 41.634 23.948 -30.475 1.00 10.41 C ATOM 978 O ARG A 64 42.816 23.718 -30.244 1.00 51.14 O ATOM 979 CB ARG A 64 41.918 25.437 -32.475 1.00 54.44 C ATOM 980 CG ARG A 64 41.863 24.208 -33.377 1.00 13.01 C ATOM 981 CD ARG A 64 40.434 23.780 -33.691 1.00 42.55 C ATOM 982 NE ARG A 64 39.785 24.663 -34.657 1.00 31.25 N ATOM 983 CZ ARG A 64 38.500 24.567 -35.009 1.00 15.00 C ATOM 984 NH1 ARG A 64 37.713 23.670 -34.430 1.00 3.51 N1+ ATOM 985 NH2 ARG A 64 38.007 25.381 -35.931 1.00 70.22 N ATOM 0 H ARG A 64 42.375 26.825 -30.380 1.00 62.12 H new ATOM 0 HA ARG A 64 40.134 25.223 -31.325 1.00 22.32 H new ATOM 0 HB2 ARG A 64 41.469 26.281 -32.999 1.00 54.44 H new ATOM 0 HB3 ARG A 64 42.961 25.694 -32.291 1.00 54.44 H new ATOM 0 HG2 ARG A 64 42.388 24.420 -34.308 1.00 13.01 H new ATOM 0 HG3 ARG A 64 42.389 23.384 -32.895 1.00 13.01 H new ATOM 0 HD2 ARG A 64 40.440 22.762 -34.081 1.00 42.55 H new ATOM 0 HD3 ARG A 64 39.852 23.765 -32.770 1.00 42.55 H new ATOM 0 HE ARG A 64 40.347 25.397 -35.089 1.00 31.25 H new ATOM 0 HH11 ARG A 64 38.088 23.050 -33.713 1.00 3.51 H new ATOM 0 HH12 ARG A 64 36.732 23.601 -34.702 1.00 3.51 H new ATOM 0 HH21 ARG A 64 38.608 26.078 -36.370 1.00 70.22 H new ATOM 0 HH22 ARG A 64 37.026 25.310 -36.202 1.00 70.22 H new ATOM 999 N PHE A 65 40.656 23.109 -30.187 1.00 1.01 N ATOM 1000 CA PHE A 65 40.885 21.859 -29.478 1.00 71.14 C ATOM 1001 C PHE A 65 41.338 20.735 -30.411 1.00 51.04 C ATOM 1002 O PHE A 65 40.627 20.349 -31.340 1.00 10.13 O ATOM 1003 CB PHE A 65 39.612 21.453 -28.723 1.00 12.02 C ATOM 1004 CG PHE A 65 38.331 21.770 -29.455 1.00 4.35 C ATOM 1005 CD1 PHE A 65 37.718 20.823 -30.258 1.00 23.21 C ATOM 1006 CD2 PHE A 65 37.739 23.020 -29.333 1.00 74.42 C ATOM 1007 CE1 PHE A 65 36.542 21.114 -30.926 1.00 40.23 C ATOM 1008 CE2 PHE A 65 36.565 23.316 -29.999 1.00 32.51 C ATOM 1009 CZ PHE A 65 35.967 22.362 -30.797 1.00 22.21 C ATOM 0 H PHE A 65 39.681 23.273 -30.437 1.00 1.01 H new ATOM 0 HA PHE A 65 41.695 22.024 -28.768 1.00 71.14 H new ATOM 0 HB2 PHE A 65 39.648 20.382 -28.523 1.00 12.02 H new ATOM 0 HB3 PHE A 65 39.600 21.957 -27.757 1.00 12.02 H new ATOM 0 HD1 PHE A 65 38.164 19.845 -30.364 1.00 23.21 H new ATOM 0 HD2 PHE A 65 38.202 23.771 -28.710 1.00 74.42 H new ATOM 0 HE1 PHE A 65 36.074 20.365 -31.548 1.00 40.23 H new ATOM 0 HE2 PHE A 65 36.116 24.293 -29.895 1.00 32.51 H new ATOM 0 HZ PHE A 65 35.050 22.592 -31.320 1.00 22.21 H new ATOM 1019 N LEU A 66 42.540 20.236 -30.165 1.00 3.44 N ATOM 1020 CA LEU A 66 43.047 19.054 -30.851 1.00 54.44 C ATOM 1021 C LEU A 66 43.133 17.888 -29.877 1.00 3.34 C ATOM 1022 O LEU A 66 43.708 18.018 -28.797 1.00 63.15 O ATOM 1023 CB LEU A 66 44.430 19.311 -31.464 1.00 43.35 C ATOM 1024 CG LEU A 66 44.441 20.051 -32.806 1.00 33.23 C ATOM 1025 CD1 LEU A 66 43.994 21.492 -32.644 1.00 0.12 C ATOM 1026 CD2 LEU A 66 45.824 19.993 -33.435 1.00 53.02 C ATOM 0 H LEU A 66 43.190 20.636 -29.488 1.00 3.44 H new ATOM 0 HA LEU A 66 42.355 18.813 -31.658 1.00 54.44 H new ATOM 0 HB2 LEU A 66 45.021 19.884 -30.750 1.00 43.35 H new ATOM 0 HB3 LEU A 66 44.931 18.352 -31.596 1.00 43.35 H new ATOM 0 HG LEU A 66 43.733 19.552 -33.468 1.00 33.23 H new ATOM 0 HD11 LEU A 66 44.013 21.990 -33.613 1.00 0.12 H new ATOM 0 HD12 LEU A 66 42.981 21.516 -32.243 1.00 0.12 H new ATOM 0 HD13 LEU A 66 44.667 22.007 -31.959 1.00 0.12 H new ATOM 0 HD21 LEU A 66 45.813 20.523 -34.387 1.00 53.02 H new ATOM 0 HD22 LEU A 66 46.547 20.461 -32.767 1.00 53.02 H new ATOM 0 HD23 LEU A 66 46.104 18.953 -33.602 1.00 53.02 H new ATOM 1038 N TYR A 67 42.574 16.750 -30.259 1.00 31.41 N ATOM 1039 CA TYR A 67 42.549 15.588 -29.386 1.00 20.11 C ATOM 1040 C TYR A 67 43.534 14.534 -29.875 1.00 74.01 C ATOM 1041 O TYR A 67 43.535 14.183 -31.055 1.00 2.22 O ATOM 1042 CB TYR A 67 41.142 14.994 -29.313 1.00 43.11 C ATOM 1043 CG TYR A 67 40.077 15.977 -28.884 1.00 44.31 C ATOM 1044 CD1 TYR A 67 40.033 16.463 -27.585 1.00 53.11 C ATOM 1045 CD2 TYR A 67 39.106 16.408 -29.778 1.00 43.34 C ATOM 1046 CE1 TYR A 67 39.052 17.353 -27.188 1.00 20.14 C ATOM 1047 CE2 TYR A 67 38.123 17.300 -29.390 1.00 70.41 C ATOM 1048 CZ TYR A 67 38.099 17.767 -28.094 1.00 13.14 C ATOM 1049 OH TYR A 67 37.116 18.647 -27.702 1.00 73.41 O ATOM 0 H TYR A 67 42.132 16.607 -31.167 1.00 31.41 H new ATOM 0 HA TYR A 67 42.842 15.909 -28.387 1.00 20.11 H new ATOM 0 HB2 TYR A 67 40.878 14.593 -30.291 1.00 43.11 H new ATOM 0 HB3 TYR A 67 41.149 14.156 -28.616 1.00 43.11 H new ATOM 0 HD1 TYR A 67 40.777 16.141 -26.872 1.00 53.11 H new ATOM 0 HD2 TYR A 67 39.119 16.040 -30.793 1.00 43.34 H new ATOM 0 HE1 TYR A 67 39.033 17.722 -26.173 1.00 20.14 H new ATOM 0 HE2 TYR A 67 37.378 17.629 -30.099 1.00 70.41 H new ATOM 0 HH TYR A 67 37.529 19.464 -27.352 1.00 73.41 H new ATOM 1059 N ASP A 68 44.376 14.042 -28.969 1.00 41.34 N ATOM 1060 CA ASP A 68 45.458 13.118 -29.326 1.00 70.30 C ATOM 1061 C ASP A 68 46.371 13.768 -30.371 1.00 63.40 C ATOM 1062 O ASP A 68 47.092 13.102 -31.110 1.00 15.11 O ATOM 1063 CB ASP A 68 44.880 11.781 -29.837 1.00 75.51 C ATOM 1064 CG ASP A 68 45.944 10.737 -30.147 1.00 2.14 C ATOM 1065 OD1 ASP A 68 46.696 10.340 -29.228 1.00 32.21 O ATOM 1066 OD2 ASP A 68 46.023 10.293 -31.315 1.00 31.41 O1- ATOM 0 H ASP A 68 44.332 14.268 -27.975 1.00 41.34 H new ATOM 0 HA ASP A 68 46.053 12.901 -28.439 1.00 70.30 H new ATOM 0 HB2 ASP A 68 44.197 11.380 -29.088 1.00 75.51 H new ATOM 0 HB3 ASP A 68 44.293 11.968 -30.736 1.00 75.51 H new ATOM 1071 N GLY A 69 46.353 15.095 -30.398 1.00 73.33 N ATOM 1072 CA GLY A 69 47.150 15.828 -31.356 1.00 31.22 C ATOM 1073 C GLY A 69 46.406 16.091 -32.653 1.00 61.52 C ATOM 1074 O GLY A 69 46.950 16.708 -33.568 1.00 60.14 O ATOM 0 H GLY A 69 45.798 15.676 -29.770 1.00 73.33 H new ATOM 0 HA2 GLY A 69 47.456 16.778 -30.918 1.00 31.22 H new ATOM 0 HA3 GLY A 69 48.060 15.268 -31.570 1.00 31.22 H new ATOM 1078 N ASP A 70 45.163 15.625 -32.741 1.00 53.11 N ATOM 1079 CA ASP A 70 44.359 15.841 -33.939 1.00 72.13 C ATOM 1080 C ASP A 70 43.008 16.463 -33.591 1.00 44.24 C ATOM 1081 O ASP A 70 42.247 15.937 -32.785 1.00 64.30 O ATOM 1082 CB ASP A 70 44.155 14.538 -34.715 1.00 12.43 C ATOM 1083 CG ASP A 70 43.432 14.769 -36.028 1.00 51.11 C ATOM 1084 OD1 ASP A 70 42.746 13.841 -36.508 1.00 0.21 O ATOM 1085 OD2 ASP A 70 43.551 15.884 -36.582 1.00 51.24 O1- ATOM 0 H ASP A 70 44.694 15.100 -32.003 1.00 53.11 H new ATOM 0 HA ASP A 70 44.907 16.536 -34.575 1.00 72.13 H new ATOM 0 HB2 ASP A 70 45.123 14.076 -34.910 1.00 12.43 H new ATOM 0 HB3 ASP A 70 43.585 13.838 -34.105 1.00 12.43 H new ATOM 1090 N ARG A 71 42.747 17.607 -34.192 1.00 22.42 N ATOM 1091 CA ARG A 71 41.514 18.359 -33.975 1.00 4.53 C ATOM 1092 C ARG A 71 40.266 17.553 -34.349 1.00 73.24 C ATOM 1093 O ARG A 71 39.999 17.286 -35.518 1.00 53.50 O ATOM 1094 CB ARG A 71 41.538 19.694 -34.749 1.00 35.54 C ATOM 1095 CG ARG A 71 41.795 19.581 -36.256 1.00 31.51 C ATOM 1096 CD ARG A 71 43.258 19.293 -36.570 1.00 31.40 C ATOM 1097 NE ARG A 71 43.547 19.328 -38.005 1.00 41.13 N ATOM 1098 CZ ARG A 71 44.564 18.671 -38.577 1.00 30.34 C ATOM 1099 NH1 ARG A 71 45.321 17.855 -37.854 1.00 31.45 N1+ ATOM 1100 NH2 ARG A 71 44.798 18.801 -39.878 1.00 61.14 N ATOM 0 H ARG A 71 43.387 18.050 -34.852 1.00 22.42 H new ATOM 0 HA ARG A 71 41.460 18.569 -32.907 1.00 4.53 H new ATOM 0 HB2 ARG A 71 40.583 20.198 -34.598 1.00 35.54 H new ATOM 0 HB3 ARG A 71 42.308 20.332 -34.314 1.00 35.54 H new ATOM 0 HG2 ARG A 71 41.173 18.788 -36.670 1.00 31.51 H new ATOM 0 HG3 ARG A 71 41.496 20.508 -36.744 1.00 31.51 H new ATOM 0 HD2 ARG A 71 43.885 20.024 -36.060 1.00 31.40 H new ATOM 0 HD3 ARG A 71 43.524 18.313 -36.174 1.00 31.40 H new ATOM 0 HE ARG A 71 42.938 19.885 -38.604 1.00 41.13 H new ATOM 0 HH11 ARG A 71 45.129 17.727 -36.860 1.00 31.45 H new ATOM 0 HH12 ARG A 71 46.095 17.356 -38.292 1.00 31.45 H new ATOM 0 HH21 ARG A 71 44.202 19.403 -40.446 1.00 61.14 H new ATOM 0 HH22 ARG A 71 45.574 18.299 -40.309 1.00 61.14 H new ATOM 1114 N ILE A 72 39.506 17.186 -33.329 1.00 75.30 N ATOM 1115 CA ILE A 72 38.232 16.503 -33.505 1.00 23.12 C ATOM 1116 C ILE A 72 37.176 17.315 -32.751 1.00 21.23 C ATOM 1117 O ILE A 72 37.451 18.445 -32.355 1.00 74.34 O ATOM 1118 CB ILE A 72 38.287 15.039 -32.962 1.00 62.51 C ATOM 1119 CG1 ILE A 72 39.584 14.338 -33.388 1.00 50.23 C ATOM 1120 CG2 ILE A 72 37.093 14.221 -33.454 1.00 14.53 C ATOM 1121 CD1 ILE A 72 39.686 14.067 -34.877 1.00 62.02 C ATOM 0 H ILE A 72 39.755 17.353 -32.354 1.00 75.30 H new ATOM 0 HA ILE A 72 37.989 16.434 -34.565 1.00 23.12 H new ATOM 0 HB ILE A 72 38.254 15.102 -31.874 1.00 62.51 H new ATOM 0 HG12 ILE A 72 40.432 14.951 -33.083 1.00 50.23 H new ATOM 0 HG13 ILE A 72 39.665 13.392 -32.852 1.00 50.23 H new ATOM 0 HG21 ILE A 72 37.159 13.207 -33.060 1.00 14.53 H new ATOM 0 HG22 ILE A 72 36.168 14.684 -33.110 1.00 14.53 H new ATOM 0 HG23 ILE A 72 37.099 14.188 -34.543 1.00 14.53 H new ATOM 0 HD11 ILE A 72 40.632 13.570 -35.092 1.00 62.02 H new ATOM 0 HD12 ILE A 72 38.861 13.427 -35.188 1.00 62.02 H new ATOM 0 HD13 ILE A 72 39.639 15.010 -35.422 1.00 62.02 H new ATOM 1133 N HIS A 73 35.988 16.765 -32.552 1.00 53.04 N ATOM 1134 CA HIS A 73 34.969 17.431 -31.751 1.00 43.03 C ATOM 1135 C HIS A 73 34.651 16.601 -30.513 1.00 24.44 C ATOM 1136 O HIS A 73 34.736 15.372 -30.540 1.00 15.32 O ATOM 1137 CB HIS A 73 33.699 17.744 -32.565 1.00 55.44 C ATOM 1138 CG HIS A 73 33.278 16.677 -33.535 1.00 52.52 C ATOM 1139 ND1 HIS A 73 32.189 15.863 -33.338 1.00 23.24 N ATOM 1140 CD2 HIS A 73 33.786 16.330 -34.741 1.00 42.44 C ATOM 1141 CE1 HIS A 73 32.049 15.057 -34.372 1.00 61.52 C ATOM 1142 NE2 HIS A 73 33.005 15.322 -35.244 1.00 53.34 N ATOM 0 H HIS A 73 35.705 15.862 -32.932 1.00 53.04 H new ATOM 0 HA HIS A 73 35.371 18.392 -31.431 1.00 43.03 H new ATOM 0 HB2 HIS A 73 32.878 17.925 -31.871 1.00 55.44 H new ATOM 0 HB3 HIS A 73 33.860 18.670 -33.117 1.00 55.44 H new ATOM 0 HD1 HIS A 73 31.582 15.880 -32.518 1.00 23.24 H new ATOM 0 HD2 HIS A 73 34.650 16.768 -35.220 1.00 42.44 H new ATOM 0 HE1 HIS A 73 31.281 14.306 -34.487 1.00 61.52 H new ATOM 1151 N GLY A 74 34.281 17.287 -29.440 1.00 2.32 N ATOM 1152 CA GLY A 74 34.188 16.669 -28.130 1.00 30.33 C ATOM 1153 C GLY A 74 33.129 15.592 -28.023 1.00 45.23 C ATOM 1154 O GLY A 74 33.319 14.606 -27.303 1.00 50.31 O ATOM 0 H GLY A 74 34.040 18.278 -29.455 1.00 2.32 H new ATOM 0 HA2 GLY A 74 35.156 16.237 -27.875 1.00 30.33 H new ATOM 0 HA3 GLY A 74 33.979 17.442 -27.390 1.00 30.33 H new ATOM 1158 N ASP A 75 32.020 15.769 -28.731 1.00 32.14 N ATOM 1159 CA ASP A 75 30.897 14.830 -28.659 1.00 72.23 C ATOM 1160 C ASP A 75 31.272 13.461 -29.224 1.00 10.20 C ATOM 1161 O ASP A 75 30.542 12.492 -29.037 1.00 3.33 O ATOM 1162 CB ASP A 75 29.679 15.379 -29.406 1.00 71.41 C ATOM 1163 CG ASP A 75 29.895 15.452 -30.903 1.00 34.44 C ATOM 1164 OD1 ASP A 75 30.629 16.354 -31.354 1.00 15.34 O ATOM 1165 OD2 ASP A 75 29.328 14.619 -31.642 1.00 4.31 O1- ATOM 0 H ASP A 75 31.870 16.555 -29.364 1.00 32.14 H new ATOM 0 HA ASP A 75 30.646 14.710 -27.605 1.00 72.23 H new ATOM 0 HB2 ASP A 75 28.815 14.747 -29.198 1.00 71.41 H new ATOM 0 HB3 ASP A 75 29.444 16.374 -29.028 1.00 71.41 H new ATOM 1170 N ASN A 76 32.413 13.385 -29.903 1.00 64.25 N ATOM 1171 CA ASN A 76 32.882 12.122 -30.465 1.00 64.43 C ATOM 1172 C ASN A 76 33.336 11.189 -29.347 1.00 13.52 C ATOM 1173 O ASN A 76 33.316 9.974 -29.501 1.00 71.25 O ATOM 1174 CB ASN A 76 34.043 12.367 -31.436 1.00 33.10 C ATOM 1175 CG ASN A 76 34.326 11.173 -32.334 1.00 40.10 C ATOM 1176 OD1 ASN A 76 33.818 11.094 -33.451 1.00 32.24 O ATOM 1177 ND2 ASN A 76 35.130 10.235 -31.853 1.00 30.14 N ATOM 0 H ASN A 76 33.028 14.180 -30.077 1.00 64.25 H new ATOM 0 HA ASN A 76 32.059 11.658 -31.009 1.00 64.43 H new ATOM 0 HB2 ASN A 76 33.815 13.235 -32.055 1.00 33.10 H new ATOM 0 HB3 ASN A 76 34.941 12.608 -30.867 1.00 33.10 H new ATOM 0 HD21 ASN A 76 35.346 9.412 -32.415 1.00 30.14 H new ATOM 0 HD22 ASN A 76 35.532 10.337 -30.921 1.00 30.14 H new ATOM 1184 N THR A 77 33.739 11.793 -28.220 1.00 21.44 N ATOM 1185 CA THR A 77 34.235 11.089 -27.023 1.00 65.40 C ATOM 1186 C THR A 77 35.501 10.265 -27.304 1.00 53.35 C ATOM 1187 O THR A 77 35.755 9.851 -28.432 1.00 42.51 O ATOM 1188 CB THR A 77 33.157 10.185 -26.360 1.00 70.12 C ATOM 1189 OG1 THR A 77 32.802 9.089 -27.208 1.00 4.33 O ATOM 1190 CG2 THR A 77 31.908 10.989 -26.025 1.00 65.33 C ATOM 0 H THR A 77 33.730 12.807 -28.110 1.00 21.44 H new ATOM 0 HA THR A 77 34.489 11.882 -26.319 1.00 65.40 H new ATOM 0 HB THR A 77 33.589 9.790 -25.440 1.00 70.12 H new ATOM 0 HG1 THR A 77 33.270 9.173 -28.065 1.00 4.33 H new ATOM 0 HG21 THR A 77 31.168 10.336 -25.562 1.00 65.33 H new ATOM 0 HG22 THR A 77 32.166 11.791 -25.334 1.00 65.33 H new ATOM 0 HG23 THR A 77 31.494 11.416 -26.939 1.00 65.33 H new ATOM 1198 N PRO A 78 36.329 10.040 -26.267 1.00 63.14 N ATOM 1199 CA PRO A 78 37.553 9.238 -26.395 1.00 44.41 C ATOM 1200 C PRO A 78 37.244 7.778 -26.728 1.00 73.22 C ATOM 1201 O PRO A 78 37.834 7.199 -27.641 1.00 62.52 O ATOM 1202 CB PRO A 78 38.206 9.353 -25.012 1.00 13.24 C ATOM 1203 CG PRO A 78 37.103 9.731 -24.087 1.00 24.53 C ATOM 1204 CD PRO A 78 36.148 10.558 -24.898 1.00 62.11 C ATOM 0 HA PRO A 78 38.193 9.589 -27.205 1.00 44.41 H new ATOM 0 HB2 PRO A 78 38.664 8.410 -24.714 1.00 13.24 H new ATOM 0 HB3 PRO A 78 38.995 10.105 -25.011 1.00 13.24 H new ATOM 0 HG2 PRO A 78 36.609 8.846 -23.686 1.00 24.53 H new ATOM 0 HG3 PRO A 78 37.484 10.296 -23.236 1.00 24.53 H new ATOM 0 HD2 PRO A 78 35.120 10.438 -24.555 1.00 62.11 H new ATOM 0 HD3 PRO A 78 36.383 11.621 -24.836 1.00 62.11 H new ATOM 1212 N GLU A 79 36.288 7.215 -25.990 1.00 53.55 N ATOM 1213 CA GLU A 79 35.819 5.838 -26.178 1.00 13.34 C ATOM 1214 C GLU A 79 35.569 5.521 -27.655 1.00 42.02 C ATOM 1215 O GLU A 79 35.952 4.464 -28.155 1.00 71.44 O ATOM 1216 CB GLU A 79 34.528 5.664 -25.362 1.00 73.21 C ATOM 1217 CG GLU A 79 33.624 4.523 -25.805 1.00 74.52 C ATOM 1218 CD GLU A 79 34.268 3.161 -25.681 1.00 5.43 C ATOM 1219 OE1 GLU A 79 35.098 2.969 -24.775 1.00 63.15 O ATOM 1220 OE2 GLU A 79 33.909 2.264 -26.473 1.00 62.13 O1- ATOM 0 H GLU A 79 35.810 7.706 -25.235 1.00 53.55 H new ATOM 0 HA GLU A 79 36.586 5.144 -25.835 1.00 13.34 H new ATOM 0 HB2 GLU A 79 34.797 5.507 -24.317 1.00 73.21 H new ATOM 0 HB3 GLU A 79 33.961 6.594 -25.409 1.00 73.21 H new ATOM 0 HG2 GLU A 79 32.712 4.540 -25.209 1.00 74.52 H new ATOM 0 HG3 GLU A 79 33.330 4.684 -26.842 1.00 74.52 H new ATOM 1227 N GLN A 80 34.945 6.457 -28.343 1.00 45.33 N ATOM 1228 CA GLN A 80 34.574 6.272 -29.735 1.00 74.25 C ATOM 1229 C GLN A 80 35.696 6.704 -30.682 1.00 73.11 C ATOM 1230 O GLN A 80 35.680 6.369 -31.865 1.00 61.03 O ATOM 1231 CB GLN A 80 33.278 7.028 -30.036 1.00 42.54 C ATOM 1232 CG GLN A 80 32.097 6.533 -29.212 1.00 40.33 C ATOM 1233 CD GLN A 80 30.807 7.275 -29.508 1.00 61.53 C ATOM 1234 OE1 GLN A 80 30.025 6.871 -30.366 1.00 12.31 O ATOM 1235 NE2 GLN A 80 30.573 8.358 -28.787 1.00 14.43 N ATOM 0 H GLN A 80 34.681 7.363 -27.957 1.00 45.33 H new ATOM 0 HA GLN A 80 34.407 5.208 -29.903 1.00 74.25 H new ATOM 0 HB2 GLN A 80 33.430 8.090 -29.842 1.00 42.54 H new ATOM 0 HB3 GLN A 80 33.043 6.928 -31.096 1.00 42.54 H new ATOM 0 HG2 GLN A 80 31.949 5.470 -29.403 1.00 40.33 H new ATOM 0 HG3 GLN A 80 32.333 6.636 -28.153 1.00 40.33 H new ATOM 0 HE21 GLN A 80 31.249 8.659 -28.085 1.00 14.43 H new ATOM 0 HE22 GLN A 80 29.717 8.893 -28.933 1.00 14.43 H new ATOM 1244 N LEU A 81 36.665 7.457 -30.165 1.00 2.24 N ATOM 1245 CA LEU A 81 37.708 8.025 -31.012 1.00 73.11 C ATOM 1246 C LEU A 81 38.888 7.066 -31.160 1.00 31.23 C ATOM 1247 O LEU A 81 39.559 7.054 -32.190 1.00 13.32 O ATOM 1248 CB LEU A 81 38.186 9.366 -30.442 1.00 12.23 C ATOM 1249 CG LEU A 81 39.187 10.131 -31.316 1.00 34.10 C ATOM 1250 CD1 LEU A 81 38.587 10.434 -32.681 1.00 12.24 C ATOM 1251 CD2 LEU A 81 39.617 11.417 -30.631 1.00 63.31 C ATOM 0 H LEU A 81 36.749 7.685 -29.174 1.00 2.24 H new ATOM 0 HA LEU A 81 37.281 8.190 -32.001 1.00 73.11 H new ATOM 0 HB2 LEU A 81 37.316 10.001 -30.274 1.00 12.23 H new ATOM 0 HB3 LEU A 81 38.642 9.186 -29.469 1.00 12.23 H new ATOM 0 HG LEU A 81 40.066 9.502 -31.458 1.00 34.10 H new ATOM 0 HD11 LEU A 81 39.314 10.977 -33.285 1.00 12.24 H new ATOM 0 HD12 LEU A 81 38.326 9.500 -33.179 1.00 12.24 H new ATOM 0 HD13 LEU A 81 37.691 11.042 -32.558 1.00 12.24 H new ATOM 0 HD21 LEU A 81 40.327 11.947 -31.265 1.00 63.31 H new ATOM 0 HD22 LEU A 81 38.744 12.047 -30.459 1.00 63.31 H new ATOM 0 HD23 LEU A 81 40.088 11.181 -29.677 1.00 63.31 H new ATOM 1263 N GLY A 82 39.139 6.258 -30.135 1.00 62.20 N ATOM 1264 CA GLY A 82 40.220 5.298 -30.209 1.00 2.54 C ATOM 1265 C GLY A 82 41.334 5.669 -29.266 1.00 50.45 C ATOM 1266 O GLY A 82 42.170 4.840 -28.909 1.00 62.11 O ATOM 0 H GLY A 82 38.615 6.252 -29.260 1.00 62.20 H new ATOM 0 HA2 GLY A 82 39.846 4.304 -29.963 1.00 2.54 H new ATOM 0 HA3 GLY A 82 40.602 5.252 -31.229 1.00 2.54 H new ATOM 1270 N ILE A 83 41.335 6.926 -28.860 1.00 21.12 N ATOM 1271 CA ILE A 83 42.216 7.381 -27.809 1.00 62.23 C ATOM 1272 C ILE A 83 41.470 7.284 -26.493 1.00 53.32 C ATOM 1273 O ILE A 83 40.264 7.500 -26.442 1.00 34.30 O ATOM 1274 CB ILE A 83 42.705 8.828 -28.031 1.00 12.34 C ATOM 1275 CG1 ILE A 83 43.742 9.204 -26.969 1.00 11.32 C ATOM 1276 CG2 ILE A 83 41.541 9.809 -28.011 1.00 63.43 C ATOM 1277 CD1 ILE A 83 45.047 8.449 -27.094 1.00 21.45 C ATOM 0 H ILE A 83 40.730 7.651 -29.247 1.00 21.12 H new ATOM 0 HA ILE A 83 43.104 6.749 -27.806 1.00 62.23 H new ATOM 0 HB ILE A 83 43.172 8.883 -29.014 1.00 12.34 H new ATOM 0 HG12 ILE A 83 43.944 10.273 -27.035 1.00 11.32 H new ATOM 0 HG13 ILE A 83 43.320 9.020 -25.981 1.00 11.32 H new ATOM 0 HG21 ILE A 83 41.915 10.820 -28.170 1.00 63.43 H new ATOM 0 HG22 ILE A 83 40.837 9.554 -28.803 1.00 63.43 H new ATOM 0 HG23 ILE A 83 41.037 9.756 -27.046 1.00 63.43 H new ATOM 0 HD11 ILE A 83 45.730 8.770 -26.307 1.00 21.45 H new ATOM 0 HD12 ILE A 83 44.859 7.380 -26.998 1.00 21.45 H new ATOM 0 HD13 ILE A 83 45.493 8.653 -28.067 1.00 21.45 H new ATOM 1289 N GLU A 84 42.168 6.942 -25.443 1.00 64.03 N ATOM 1290 CA GLU A 84 41.524 6.686 -24.182 1.00 52.21 C ATOM 1291 C GLU A 84 42.389 7.248 -23.047 1.00 4.41 C ATOM 1292 O GLU A 84 43.105 8.228 -23.261 1.00 32.15 O ATOM 1293 CB GLU A 84 41.286 5.177 -24.073 1.00 52.31 C ATOM 1294 CG GLU A 84 40.303 4.765 -22.994 1.00 42.14 C ATOM 1295 CD GLU A 84 40.774 3.541 -22.237 1.00 24.00 C ATOM 1296 OE1 GLU A 84 41.554 3.709 -21.274 1.00 30.13 O ATOM 1297 OE2 GLU A 84 40.394 2.415 -22.613 1.00 13.42 O1- ATOM 0 H GLU A 84 43.182 6.834 -25.435 1.00 64.03 H new ATOM 0 HA GLU A 84 40.557 7.184 -24.108 1.00 52.21 H new ATOM 0 HB2 GLU A 84 40.925 4.810 -25.034 1.00 52.31 H new ATOM 0 HB3 GLU A 84 42.240 4.686 -23.883 1.00 52.31 H new ATOM 0 HG2 GLU A 84 40.162 5.591 -22.297 1.00 42.14 H new ATOM 0 HG3 GLU A 84 39.332 4.561 -23.446 1.00 42.14 H new ATOM 1304 N ASP A 85 42.298 6.660 -21.853 1.00 34.14 N ATOM 1305 CA ASP A 85 43.035 7.139 -20.678 1.00 62.20 C ATOM 1306 C ASP A 85 44.495 7.436 -21.001 1.00 24.11 C ATOM 1307 O ASP A 85 45.247 6.552 -21.417 1.00 63.13 O ATOM 1308 CB ASP A 85 42.951 6.110 -19.547 1.00 41.01 C ATOM 1309 CG ASP A 85 43.919 6.396 -18.412 1.00 33.33 C ATOM 1310 OD1 ASP A 85 43.990 7.550 -17.962 1.00 0.20 O ATOM 1311 OD2 ASP A 85 44.597 5.451 -17.955 1.00 54.52 O1- ATOM 0 H ASP A 85 41.715 5.843 -21.672 1.00 34.14 H new ATOM 0 HA ASP A 85 42.570 8.072 -20.360 1.00 62.20 H new ATOM 0 HB2 ASP A 85 41.934 6.092 -19.154 1.00 41.01 H new ATOM 0 HB3 ASP A 85 43.155 5.118 -19.950 1.00 41.01 H new ATOM 1316 N GLY A 86 44.872 8.693 -20.825 1.00 32.23 N ATOM 1317 CA GLY A 86 46.227 9.117 -21.094 1.00 42.34 C ATOM 1318 C GLY A 86 46.282 10.135 -22.210 1.00 60.32 C ATOM 1319 O GLY A 86 47.361 10.574 -22.613 1.00 42.55 O ATOM 0 H GLY A 86 44.254 9.435 -20.496 1.00 32.23 H new ATOM 0 HA2 GLY A 86 46.661 9.544 -20.190 1.00 42.34 H new ATOM 0 HA3 GLY A 86 46.833 8.251 -21.361 1.00 42.34 H new ATOM 1323 N ASP A 87 45.111 10.520 -22.698 1.00 21.12 N ATOM 1324 CA ASP A 87 45.012 11.431 -23.835 1.00 23.23 C ATOM 1325 C ASP A 87 45.360 12.856 -23.430 1.00 62.04 C ATOM 1326 O ASP A 87 45.296 13.217 -22.254 1.00 50.43 O ATOM 1327 CB ASP A 87 43.602 11.401 -24.438 1.00 41.43 C ATOM 1328 CG ASP A 87 43.471 12.315 -25.646 1.00 70.52 C ATOM 1329 OD1 ASP A 87 44.407 12.336 -26.480 1.00 13.22 O ATOM 1330 OD2 ASP A 87 42.445 13.014 -25.758 1.00 3.13 O1- ATOM 0 H ASP A 87 44.212 10.216 -22.324 1.00 21.12 H new ATOM 0 HA ASP A 87 45.728 11.094 -24.584 1.00 23.23 H new ATOM 0 HB2 ASP A 87 43.356 10.380 -24.729 1.00 41.43 H new ATOM 0 HB3 ASP A 87 42.878 11.699 -23.679 1.00 41.43 H new ATOM 1335 N VAL A 88 45.732 13.659 -24.412 1.00 40.21 N ATOM 1336 CA VAL A 88 46.029 15.056 -24.187 1.00 30.05 C ATOM 1337 C VAL A 88 45.276 15.926 -25.187 1.00 62.31 C ATOM 1338 O VAL A 88 45.047 15.533 -26.335 1.00 44.01 O ATOM 1339 CB VAL A 88 47.539 15.363 -24.276 1.00 1.54 C ATOM 1340 CG1 VAL A 88 48.312 14.559 -23.245 1.00 21.12 C ATOM 1341 CG2 VAL A 88 48.066 15.098 -25.672 1.00 55.10 C ATOM 0 H VAL A 88 45.835 13.359 -25.382 1.00 40.21 H new ATOM 0 HA VAL A 88 45.703 15.285 -23.172 1.00 30.05 H new ATOM 0 HB VAL A 88 47.682 16.422 -24.060 1.00 1.54 H new ATOM 0 HG11 VAL A 88 49.374 14.790 -23.325 1.00 21.12 H new ATOM 0 HG12 VAL A 88 47.959 14.814 -22.246 1.00 21.12 H new ATOM 0 HG13 VAL A 88 48.158 13.495 -23.423 1.00 21.12 H new ATOM 0 HG21 VAL A 88 49.132 15.322 -25.707 1.00 55.10 H new ATOM 0 HG22 VAL A 88 47.907 14.051 -25.928 1.00 55.10 H new ATOM 0 HG23 VAL A 88 47.538 15.730 -26.386 1.00 55.10 H new ATOM 1351 N ILE A 89 44.902 17.108 -24.745 1.00 14.43 N ATOM 1352 CA ILE A 89 44.141 18.024 -25.567 1.00 51.25 C ATOM 1353 C ILE A 89 44.931 19.306 -25.752 1.00 71.31 C ATOM 1354 O ILE A 89 45.270 19.976 -24.780 1.00 41.13 O ATOM 1355 CB ILE A 89 42.768 18.347 -24.937 1.00 64.41 C ATOM 1356 CG1 ILE A 89 41.986 17.056 -24.663 1.00 0.23 C ATOM 1357 CG2 ILE A 89 41.975 19.276 -25.848 1.00 64.41 C ATOM 1358 CD1 ILE A 89 40.659 17.278 -23.968 1.00 62.23 C ATOM 0 H ILE A 89 45.115 17.459 -23.811 1.00 14.43 H new ATOM 0 HA ILE A 89 43.963 17.548 -26.531 1.00 51.25 H new ATOM 0 HB ILE A 89 42.931 18.854 -23.986 1.00 64.41 H new ATOM 0 HG12 ILE A 89 41.809 16.543 -25.608 1.00 0.23 H new ATOM 0 HG13 ILE A 89 42.599 16.394 -24.051 1.00 0.23 H new ATOM 0 HG21 ILE A 89 41.010 19.496 -25.392 1.00 64.41 H new ATOM 0 HG22 ILE A 89 42.528 20.204 -25.991 1.00 64.41 H new ATOM 0 HG23 ILE A 89 41.819 18.794 -26.813 1.00 64.41 H new ATOM 0 HD11 ILE A 89 40.166 16.319 -23.809 1.00 62.23 H new ATOM 0 HD12 ILE A 89 40.828 17.762 -23.006 1.00 62.23 H new ATOM 0 HD13 ILE A 89 40.026 17.913 -24.587 1.00 62.23 H new ATOM 1370 N ASP A 90 45.250 19.627 -26.990 1.00 34.30 N ATOM 1371 CA ASP A 90 46.042 20.812 -27.284 1.00 21.13 C ATOM 1372 C ASP A 90 45.138 21.915 -27.803 1.00 54.30 C ATOM 1373 O ASP A 90 44.348 21.695 -28.722 1.00 1.13 O ATOM 1374 CB ASP A 90 47.124 20.482 -28.313 1.00 33.21 C ATOM 1375 CG ASP A 90 48.139 21.598 -28.501 1.00 41.43 C ATOM 1376 OD1 ASP A 90 48.009 22.650 -27.847 1.00 53.43 O ATOM 1377 OD2 ASP A 90 49.101 21.402 -29.279 1.00 21.31 O1- ATOM 0 H ASP A 90 44.975 19.087 -27.810 1.00 34.30 H new ATOM 0 HA ASP A 90 46.528 21.153 -26.370 1.00 21.13 H new ATOM 0 HB2 ASP A 90 47.645 19.576 -28.004 1.00 33.21 H new ATOM 0 HB3 ASP A 90 46.650 20.266 -29.271 1.00 33.21 H new ATOM 1382 N ALA A 91 45.220 23.082 -27.183 1.00 30.14 N ATOM 1383 CA ALA A 91 44.407 24.214 -27.596 1.00 22.54 C ATOM 1384 C ALA A 91 45.249 25.307 -28.255 1.00 62.41 C ATOM 1385 O ALA A 91 46.123 25.900 -27.623 1.00 34.40 O ATOM 1386 CB ALA A 91 43.657 24.776 -26.399 1.00 33.33 C ATOM 0 H ALA A 91 45.839 23.269 -26.395 1.00 30.14 H new ATOM 0 HA ALA A 91 43.692 23.860 -28.339 1.00 22.54 H new ATOM 0 HB1 ALA A 91 43.050 25.624 -26.716 1.00 33.33 H new ATOM 0 HB2 ALA A 91 43.012 24.004 -25.979 1.00 33.33 H new ATOM 0 HB3 ALA A 91 44.371 25.103 -25.643 1.00 33.33 H new ATOM 1392 N MET A 92 44.961 25.580 -29.524 1.00 14.35 N ATOM 1393 CA MET A 92 45.618 26.666 -30.253 1.00 13.21 C ATOM 1394 C MET A 92 44.824 27.961 -30.111 1.00 25.02 C ATOM 1395 O MET A 92 43.702 27.952 -29.611 1.00 71.52 O ATOM 1396 CB MET A 92 45.786 26.326 -31.739 1.00 64.53 C ATOM 1397 CG MET A 92 46.857 25.285 -32.026 1.00 30.25 C ATOM 1398 SD MET A 92 46.375 23.622 -31.529 1.00 45.45 S ATOM 1399 CE MET A 92 47.864 22.709 -31.919 1.00 51.31 C ATOM 0 H MET A 92 44.274 25.063 -30.073 1.00 14.35 H new ATOM 0 HA MET A 92 46.609 26.798 -29.818 1.00 13.21 H new ATOM 0 HB2 MET A 92 44.833 25.966 -32.127 1.00 64.53 H new ATOM 0 HB3 MET A 92 46.028 27.239 -32.283 1.00 64.53 H new ATOM 0 HG2 MET A 92 47.082 25.288 -33.092 1.00 30.25 H new ATOM 0 HG3 MET A 92 47.774 25.562 -31.506 1.00 30.25 H new ATOM 0 HE1 MET A 92 47.815 21.720 -31.462 1.00 51.31 H new ATOM 0 HE2 MET A 92 47.954 22.605 -33.000 1.00 51.31 H new ATOM 0 HE3 MET A 92 48.731 23.245 -31.532 1.00 51.31 H new ATOM 1409 N VAL A 93 45.407 29.071 -30.551 1.00 70.32 N ATOM 1410 CA VAL A 93 44.753 30.373 -30.440 1.00 3.20 C ATOM 1411 C VAL A 93 43.544 30.467 -31.367 1.00 75.10 C ATOM 1412 O VAL A 93 43.681 30.521 -32.592 1.00 71.31 O ATOM 1413 CB VAL A 93 45.722 31.532 -30.750 1.00 52.22 C ATOM 1414 CG1 VAL A 93 45.037 32.872 -30.525 1.00 3.43 C ATOM 1415 CG2 VAL A 93 46.979 31.420 -29.899 1.00 10.04 C ATOM 0 H VAL A 93 46.329 29.097 -30.987 1.00 70.32 H new ATOM 0 HA VAL A 93 44.421 30.464 -29.406 1.00 3.20 H new ATOM 0 HB VAL A 93 46.014 31.468 -31.798 1.00 52.22 H new ATOM 0 HG11 VAL A 93 45.735 33.679 -30.748 1.00 3.43 H new ATOM 0 HG12 VAL A 93 44.169 32.951 -31.179 1.00 3.43 H new ATOM 0 HG13 VAL A 93 44.716 32.947 -29.486 1.00 3.43 H new ATOM 0 HG21 VAL A 93 47.651 32.246 -30.132 1.00 10.04 H new ATOM 0 HG22 VAL A 93 46.709 31.458 -28.844 1.00 10.04 H new ATOM 0 HG23 VAL A 93 47.479 30.475 -30.111 1.00 10.04 H new ATOM 1425 N GLN A 94 42.367 30.474 -30.755 1.00 13.31 N ATOM 1426 CA GLN A 94 41.087 30.539 -31.456 1.00 14.42 C ATOM 1427 C GLN A 94 40.883 29.329 -32.361 1.00 61.22 C ATOM 1428 O GLN A 94 41.711 28.425 -32.409 1.00 71.22 O ATOM 1429 CB GLN A 94 40.948 31.843 -32.239 1.00 11.34 C ATOM 1430 CG GLN A 94 40.833 33.074 -31.357 1.00 20.20 C ATOM 1431 CD GLN A 94 40.590 34.342 -32.151 1.00 32.33 C ATOM 1432 OE1 GLN A 94 39.445 34.706 -32.421 1.00 74.30 O ATOM 1433 NE2 GLN A 94 41.659 35.030 -32.528 1.00 24.31 N ATOM 0 H GLN A 94 42.271 30.434 -29.740 1.00 13.31 H new ATOM 0 HA GLN A 94 40.301 30.520 -30.701 1.00 14.42 H new ATOM 0 HB2 GLN A 94 41.811 31.956 -32.895 1.00 11.34 H new ATOM 0 HB3 GLN A 94 40.067 31.781 -32.878 1.00 11.34 H new ATOM 0 HG2 GLN A 94 40.018 32.933 -30.648 1.00 20.20 H new ATOM 0 HG3 GLN A 94 41.747 33.185 -30.774 1.00 20.20 H new ATOM 0 HE21 GLN A 94 42.592 34.696 -32.285 1.00 24.31 H new ATOM 0 HE22 GLN A 94 41.548 35.893 -33.061 1.00 24.31 H new