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 Single : A 22 HIS : no HD1:sc= -0.0752 X(o=-0.075,f=-0.014) USER MOD Single : A 24 GLN : amide:sc= -0.564 X(o=-0.56,f=-0.71) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -64:sc= 0.494 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+ -147:sc= 1.1 (180deg=-0.924!) USER MOD Single : A 43 THR OG1 : rot -75:sc= -1.54! USER MOD Single : A 44 LYS NZ :NH3+ -141:sc= 2.28 (180deg=1.57) USER MOD Single : A 47 LYS NZ :NH3+ -109:sc= -0.569 (180deg=-2.43!) USER MOD Single : A 49 MET CE :methyl -110:sc= -0.703 (180deg=-1.18) USER MOD Single : A 52 TYR OH : rot 85:sc= 0.441 USER MOD Single : A 53 CYS SG : rot 42:sc= -4.68! USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.245 K(o=-0.24,f=-2.7!) USER MOD Single : A 59 SER OG : rot 120:sc= 1.32 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -107:sc= 0.264 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.785 K(o=-0.79,f=-3.1!) USER MOD Single : A 77 THR OG1 : rot -14:sc= 1.11 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 MET CE :methyl 158:sc= -0.25 (180deg=-0.969) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 268 N HIS A 22 37.346 4.958 -13.982 1.00 3.23 N ATOM 269 CA HIS A 22 37.290 6.352 -14.385 1.00 12.43 C ATOM 270 C HIS A 22 38.260 6.600 -15.529 1.00 51.25 C ATOM 271 O HIS A 22 39.193 5.823 -15.741 1.00 12.05 O ATOM 272 CB HIS A 22 37.630 7.262 -13.202 1.00 71.14 C ATOM 273 CG HIS A 22 36.786 7.007 -11.993 1.00 44.35 C ATOM 274 ND1 HIS A 22 37.272 6.422 -10.844 1.00 50.21 N ATOM 275 CD2 HIS A 22 35.476 7.258 -11.755 1.00 44.15 C ATOM 276 CE1 HIS A 22 36.302 6.320 -9.958 1.00 41.13 C ATOM 277 NE2 HIS A 22 35.203 6.822 -10.483 1.00 12.14 N ATOM 0 HA HIS A 22 36.278 6.580 -14.720 1.00 12.43 H new ATOM 0 HB2 HIS A 22 38.679 7.126 -12.939 1.00 71.14 H new ATOM 0 HB3 HIS A 22 37.510 8.302 -13.507 1.00 71.14 H new ATOM 0 HD2 HIS A 22 34.777 7.716 -12.439 1.00 44.15 H new ATOM 0 HE1 HIS A 22 36.393 5.896 -8.969 1.00 41.13 H new ATOM 0 HE2 HIS A 22 34.296 6.878 -10.019 1.00 12.14 H new ATOM 286 N ILE A 23 38.054 7.688 -16.251 1.00 0.22 N ATOM 287 CA ILE A 23 38.877 7.995 -17.411 1.00 11.25 C ATOM 288 C ILE A 23 39.768 9.199 -17.104 1.00 22.25 C ATOM 289 O ILE A 23 39.581 9.869 -16.090 1.00 42.51 O ATOM 290 CB ILE A 23 37.999 8.270 -18.659 1.00 3.34 C ATOM 291 CG1 ILE A 23 36.856 7.249 -18.734 1.00 25.13 C ATOM 292 CG2 ILE A 23 38.833 8.210 -19.937 1.00 32.34 C ATOM 293 CD1 ILE A 23 35.911 7.472 -19.893 1.00 44.31 C ATOM 0 H ILE A 23 37.325 8.374 -16.056 1.00 0.22 H new ATOM 0 HA ILE A 23 39.505 7.132 -17.632 1.00 11.25 H new ATOM 0 HB ILE A 23 37.581 9.273 -18.567 1.00 3.34 H new ATOM 0 HG12 ILE A 23 37.280 6.248 -18.811 1.00 25.13 H new ATOM 0 HG13 ILE A 23 36.289 7.284 -17.804 1.00 25.13 H new ATOM 0 HG21 ILE A 23 38.194 8.406 -20.798 1.00 32.34 H new ATOM 0 HG22 ILE A 23 39.622 8.961 -19.892 1.00 32.34 H new ATOM 0 HG23 ILE A 23 39.279 7.220 -20.034 1.00 32.34 H new ATOM 0 HD11 ILE A 23 35.131 6.711 -19.878 1.00 44.31 H new ATOM 0 HD12 ILE A 23 35.457 8.459 -19.807 1.00 44.31 H new ATOM 0 HD13 ILE A 23 36.463 7.407 -20.830 1.00 44.31 H new ATOM 305 N GLN A 24 40.721 9.470 -17.978 1.00 71.43 N ATOM 306 CA GLN A 24 41.712 10.511 -17.764 1.00 11.44 C ATOM 307 C GLN A 24 42.073 11.149 -19.096 1.00 52.41 C ATOM 308 O GLN A 24 42.237 10.448 -20.092 1.00 4.25 O ATOM 309 CB GLN A 24 42.975 9.917 -17.145 1.00 34.22 C ATOM 310 CG GLN A 24 43.967 10.952 -16.641 1.00 45.54 C ATOM 311 CD GLN A 24 45.386 10.426 -16.585 1.00 43.44 C ATOM 312 OE1 GLN A 24 46.345 11.191 -16.684 1.00 20.15 O ATOM 313 NE2 GLN A 24 45.533 9.114 -16.466 1.00 11.15 N ATOM 0 H GLN A 24 40.830 8.972 -18.861 1.00 71.43 H new ATOM 0 HA GLN A 24 41.295 11.259 -17.090 1.00 11.44 H new ATOM 0 HB2 GLN A 24 42.690 9.269 -16.316 1.00 34.22 H new ATOM 0 HB3 GLN A 24 43.468 9.288 -17.886 1.00 34.22 H new ATOM 0 HG2 GLN A 24 43.934 11.827 -17.290 1.00 45.54 H new ATOM 0 HG3 GLN A 24 43.667 11.282 -15.646 1.00 45.54 H new ATOM 0 HE21 GLN A 24 44.712 8.514 -16.386 1.00 11.15 H new ATOM 0 HE22 GLN A 24 46.467 8.704 -16.454 1.00 11.15 H new ATOM 322 N VAL A 25 42.202 12.462 -19.108 1.00 72.33 N ATOM 323 CA VAL A 25 42.574 13.185 -20.311 1.00 2.21 C ATOM 324 C VAL A 25 43.330 14.460 -19.948 1.00 52.41 C ATOM 325 O VAL A 25 42.983 15.157 -18.996 1.00 50.52 O ATOM 326 CB VAL A 25 41.331 13.538 -21.159 1.00 44.32 C ATOM 327 CG1 VAL A 25 40.347 14.352 -20.344 1.00 41.00 C ATOM 328 CG2 VAL A 25 41.721 14.287 -22.424 1.00 73.23 C ATOM 0 H VAL A 25 42.053 13.055 -18.291 1.00 72.33 H new ATOM 0 HA VAL A 25 43.221 12.537 -20.903 1.00 2.21 H new ATOM 0 HB VAL A 25 40.852 12.605 -21.456 1.00 44.32 H new ATOM 0 HG11 VAL A 25 39.478 14.592 -20.957 1.00 41.00 H new ATOM 0 HG12 VAL A 25 40.030 13.776 -19.475 1.00 41.00 H new ATOM 0 HG13 VAL A 25 40.824 15.275 -20.014 1.00 41.00 H new ATOM 0 HG21 VAL A 25 40.825 14.521 -22.999 1.00 73.23 H new ATOM 0 HG22 VAL A 25 42.232 15.212 -22.156 1.00 73.23 H new ATOM 0 HG23 VAL A 25 42.385 13.666 -23.024 1.00 73.23 H new ATOM 338 N LYS A 26 44.375 14.750 -20.692 1.00 74.44 N ATOM 339 CA LYS A 26 45.148 15.959 -20.478 1.00 34.43 C ATOM 340 C LYS A 26 44.797 17.001 -21.512 1.00 4.33 C ATOM 341 O LYS A 26 44.588 16.680 -22.672 1.00 44.10 O ATOM 342 CB LYS A 26 46.635 15.652 -20.536 1.00 54.54 C ATOM 343 CG LYS A 26 47.272 15.507 -19.172 1.00 22.30 C ATOM 344 CD LYS A 26 48.647 14.873 -19.282 1.00 20.41 C ATOM 345 CE LYS A 26 49.236 14.544 -17.923 1.00 55.05 C ATOM 346 NZ LYS A 26 50.476 13.734 -18.047 1.00 31.31 N1+ ATOM 0 H LYS A 26 44.712 14.163 -21.455 1.00 74.44 H new ATOM 0 HA LYS A 26 44.906 16.350 -19.490 1.00 34.43 H new ATOM 0 HB2 LYS A 26 46.787 14.731 -21.099 1.00 54.54 H new ATOM 0 HB3 LYS A 26 47.142 16.447 -21.083 1.00 54.54 H new ATOM 0 HG2 LYS A 26 47.355 16.485 -18.699 1.00 22.30 H new ATOM 0 HG3 LYS A 26 46.635 14.896 -18.532 1.00 22.30 H new ATOM 0 HD2 LYS A 26 48.579 13.962 -19.877 1.00 20.41 H new ATOM 0 HD3 LYS A 26 49.316 15.551 -19.812 1.00 20.41 H new ATOM 0 HE2 LYS A 26 49.456 15.468 -17.388 1.00 55.05 H new ATOM 0 HE3 LYS A 26 48.502 13.999 -17.330 1.00 55.05 H new ATOM 0 HZ1 LYS A 26 50.852 13.527 -17.100 1.00 31.31 H new ATOM 0 HZ2 LYS A 26 50.260 12.842 -18.536 1.00 31.31 H new ATOM 0 HZ3 LYS A 26 51.185 14.265 -18.592 1.00 31.31 H new ATOM 360 N VAL A 27 44.724 18.247 -21.094 1.00 15.45 N ATOM 361 CA VAL A 27 44.504 19.326 -22.007 1.00 72.53 C ATOM 362 C VAL A 27 45.695 20.246 -21.893 1.00 72.32 C ATOM 363 O VAL A 27 45.823 21.000 -20.926 1.00 14.32 O ATOM 364 CB VAL A 27 43.178 20.081 -21.731 1.00 61.10 C ATOM 365 CG1 VAL A 27 43.053 21.302 -22.630 1.00 55.43 C ATOM 366 CG2 VAL A 27 41.991 19.153 -21.938 1.00 73.33 C ATOM 0 H VAL A 27 44.816 18.529 -20.118 1.00 15.45 H new ATOM 0 HA VAL A 27 44.404 18.937 -23.020 1.00 72.53 H new ATOM 0 HB VAL A 27 43.187 20.418 -20.695 1.00 61.10 H new ATOM 0 HG11 VAL A 27 42.115 21.815 -22.418 1.00 55.43 H new ATOM 0 HG12 VAL A 27 43.887 21.978 -22.443 1.00 55.43 H new ATOM 0 HG13 VAL A 27 43.067 20.988 -23.674 1.00 55.43 H new ATOM 0 HG21 VAL A 27 41.066 19.695 -21.741 1.00 73.33 H new ATOM 0 HG22 VAL A 27 41.987 18.791 -22.966 1.00 73.33 H new ATOM 0 HG23 VAL A 27 42.068 18.307 -21.255 1.00 73.33 H new ATOM 376 N ARG A 28 46.603 20.125 -22.846 1.00 64.53 N ATOM 377 CA ARG A 28 47.818 20.899 -22.821 1.00 65.22 C ATOM 378 C ARG A 28 47.470 22.328 -23.082 1.00 63.41 C ATOM 379 O ARG A 28 47.015 22.679 -24.173 1.00 71.22 O ATOM 380 CB ARG A 28 48.822 20.429 -23.876 1.00 24.25 C ATOM 381 CG ARG A 28 50.080 21.288 -23.937 1.00 22.13 C ATOM 382 CD ARG A 28 50.933 20.943 -25.141 1.00 44.34 C ATOM 383 NE ARG A 28 50.581 21.768 -26.294 1.00 65.10 N ATOM 384 CZ ARG A 28 51.461 22.297 -27.144 1.00 45.54 C ATOM 385 NH1 ARG A 28 52.756 22.018 -27.036 1.00 33.24 N1+ ATOM 386 NH2 ARG A 28 51.033 23.092 -28.117 1.00 23.30 N ATOM 0 H ARG A 28 46.516 19.496 -23.644 1.00 64.53 H new ATOM 0 HA ARG A 28 48.284 20.774 -21.844 1.00 65.22 H new ATOM 0 HB2 ARG A 28 49.105 19.398 -23.664 1.00 24.25 H new ATOM 0 HB3 ARG A 28 48.340 20.433 -24.854 1.00 24.25 H new ATOM 0 HG2 ARG A 28 49.801 22.341 -23.978 1.00 22.13 H new ATOM 0 HG3 ARG A 28 50.662 21.148 -23.026 1.00 22.13 H new ATOM 0 HD2 ARG A 28 51.986 21.086 -24.897 1.00 44.34 H new ATOM 0 HD3 ARG A 28 50.804 19.890 -25.391 1.00 44.34 H new ATOM 0 HE ARG A 28 49.592 21.952 -26.460 1.00 65.10 H new ATOM 0 HH11 ARG A 28 53.084 21.394 -26.298 1.00 33.24 H new ATOM 0 HH12 ARG A 28 53.422 22.427 -27.691 1.00 33.24 H new ATOM 0 HH21 ARG A 28 50.038 23.294 -28.210 1.00 23.30 H new ATOM 0 HH22 ARG A 28 51.700 23.501 -28.772 1.00 23.30 H new ATOM 400 N SER A 29 47.625 23.142 -22.067 1.00 62.33 N ATOM 401 CA SER A 29 47.409 24.553 -22.247 1.00 61.53 C ATOM 402 C SER A 29 48.393 25.069 -23.307 1.00 72.53 C ATOM 403 O SER A 29 49.433 24.439 -23.529 1.00 31.23 O ATOM 404 CB SER A 29 47.576 25.303 -20.921 1.00 54.21 C ATOM 405 OG SER A 29 48.871 25.109 -20.386 1.00 31.13 O ATOM 0 H SER A 29 47.895 22.858 -21.125 1.00 62.33 H new ATOM 0 HA SER A 29 46.389 24.729 -22.587 1.00 61.53 H new ATOM 0 HB2 SER A 29 47.399 26.367 -21.077 1.00 54.21 H new ATOM 0 HB3 SER A 29 46.829 24.957 -20.207 1.00 54.21 H new ATOM 0 HG SER A 29 48.998 24.161 -20.171 1.00 31.13 H new ATOM 411 N PRO A 30 48.098 26.208 -23.967 1.00 15.42 N ATOM 412 CA PRO A 30 48.908 26.729 -25.094 1.00 23.11 C ATOM 413 C PRO A 30 50.339 27.143 -24.713 1.00 5.11 C ATOM 414 O PRO A 30 50.936 27.999 -25.365 1.00 72.52 O ATOM 415 CB PRO A 30 48.118 27.961 -25.556 1.00 45.42 C ATOM 416 CG PRO A 30 47.299 28.356 -24.379 1.00 63.25 C ATOM 417 CD PRO A 30 46.938 27.073 -23.690 1.00 61.25 C ATOM 0 HA PRO A 30 49.048 25.957 -25.851 1.00 23.11 H new ATOM 0 HB2 PRO A 30 48.786 28.767 -25.861 1.00 45.42 H new ATOM 0 HB3 PRO A 30 47.488 27.727 -26.414 1.00 45.42 H new ATOM 0 HG2 PRO A 30 47.859 29.014 -23.714 1.00 63.25 H new ATOM 0 HG3 PRO A 30 46.406 28.900 -24.687 1.00 63.25 H new ATOM 0 HD2 PRO A 30 46.789 27.218 -22.620 1.00 61.25 H new ATOM 0 HD3 PRO A 30 46.015 26.649 -24.085 1.00 61.25 H new ATOM 425 N ASP A 31 50.891 26.524 -23.680 1.00 62.14 N ATOM 426 CA ASP A 31 52.253 26.810 -23.245 1.00 43.34 C ATOM 427 C ASP A 31 53.043 25.517 -23.068 1.00 13.04 C ATOM 428 O ASP A 31 54.271 25.505 -23.137 1.00 21.24 O ATOM 429 CB ASP A 31 52.236 27.601 -21.933 1.00 0.44 C ATOM 430 CG ASP A 31 53.622 28.016 -21.474 1.00 63.12 C ATOM 431 OD1 ASP A 31 54.352 27.172 -20.916 1.00 44.23 O ATOM 432 OD2 ASP A 31 53.980 29.199 -21.651 1.00 12.51 O1- ATOM 0 H ASP A 31 50.414 25.815 -23.123 1.00 62.14 H new ATOM 0 HA ASP A 31 52.740 27.411 -24.013 1.00 43.34 H new ATOM 0 HB2 ASP A 31 51.619 28.491 -22.059 1.00 0.44 H new ATOM 0 HB3 ASP A 31 51.768 26.996 -21.156 1.00 0.44 H new ATOM 437 N GLY A 32 52.328 24.424 -22.866 1.00 1.23 N ATOM 438 CA GLY A 32 52.975 23.165 -22.574 1.00 64.22 C ATOM 439 C GLY A 32 52.670 22.696 -21.171 1.00 54.14 C ATOM 440 O GLY A 32 53.057 21.600 -20.773 1.00 43.15 O ATOM 0 H GLY A 32 51.309 24.386 -22.899 1.00 1.23 H new ATOM 0 HA2 GLY A 32 52.646 22.412 -23.290 1.00 64.22 H new ATOM 0 HA3 GLY A 32 54.053 23.272 -22.696 1.00 64.22 H new ATOM 444 N ALA A 33 51.978 23.541 -20.414 1.00 1.31 N ATOM 445 CA ALA A 33 51.535 23.179 -19.078 1.00 44.21 C ATOM 446 C ALA A 33 50.317 22.273 -19.174 1.00 14.20 C ATOM 447 O ALA A 33 49.177 22.738 -19.262 1.00 2.30 O ATOM 448 CB ALA A 33 51.230 24.420 -18.253 1.00 42.23 C ATOM 0 H ALA A 33 51.713 24.482 -20.706 1.00 1.31 H new ATOM 0 HA ALA A 33 52.336 22.639 -18.572 1.00 44.21 H new ATOM 0 HB1 ALA A 33 50.900 24.123 -17.257 1.00 42.23 H new ATOM 0 HB2 ALA A 33 52.128 25.032 -18.170 1.00 42.23 H new ATOM 0 HB3 ALA A 33 50.442 24.996 -18.739 1.00 42.23 H new ATOM 454 N GLU A 34 50.571 20.984 -19.199 1.00 63.03 N ATOM 455 CA GLU A 34 49.535 20.005 -19.439 1.00 51.32 C ATOM 456 C GLU A 34 49.101 19.371 -18.128 1.00 22.55 C ATOM 457 O GLU A 34 49.858 18.629 -17.501 1.00 43.25 O ATOM 458 CB GLU A 34 50.070 18.964 -20.414 1.00 4.31 C ATOM 459 CG GLU A 34 49.050 17.995 -20.964 1.00 43.11 C ATOM 460 CD GLU A 34 49.672 17.089 -22.007 1.00 11.42 C ATOM 461 OE1 GLU A 34 50.280 16.071 -21.626 1.00 70.41 O ATOM 462 OE2 GLU A 34 49.594 17.415 -23.207 1.00 0.35 O1- ATOM 0 H GLU A 34 51.499 20.586 -19.054 1.00 63.03 H new ATOM 0 HA GLU A 34 48.657 20.480 -19.876 1.00 51.32 H new ATOM 0 HB2 GLU A 34 50.538 19.483 -21.250 1.00 4.31 H new ATOM 0 HB3 GLU A 34 50.853 18.394 -19.914 1.00 4.31 H new ATOM 0 HG2 GLU A 34 48.639 17.394 -20.153 1.00 43.11 H new ATOM 0 HG3 GLU A 34 48.219 18.546 -21.404 1.00 43.11 H new ATOM 469 N VAL A 35 47.886 19.679 -17.711 1.00 72.24 N ATOM 470 CA VAL A 35 47.366 19.181 -16.450 1.00 1.04 C ATOM 471 C VAL A 35 46.410 18.029 -16.711 1.00 15.44 C ATOM 472 O VAL A 35 45.570 18.102 -17.613 1.00 34.34 O ATOM 473 CB VAL A 35 46.637 20.290 -15.658 1.00 73.02 C ATOM 474 CG1 VAL A 35 46.170 19.777 -14.303 1.00 43.24 C ATOM 475 CG2 VAL A 35 47.534 21.508 -15.489 1.00 72.21 C ATOM 0 H VAL A 35 47.239 20.274 -18.229 1.00 72.24 H new ATOM 0 HA VAL A 35 48.209 18.838 -15.851 1.00 1.04 H new ATOM 0 HB VAL A 35 45.757 20.587 -16.228 1.00 73.02 H new ATOM 0 HG11 VAL A 35 45.660 20.578 -13.767 1.00 43.24 H new ATOM 0 HG12 VAL A 35 45.484 18.942 -14.447 1.00 43.24 H new ATOM 0 HG13 VAL A 35 47.031 19.443 -13.724 1.00 43.24 H new ATOM 0 HG21 VAL A 35 47.002 22.277 -14.929 1.00 72.21 H new ATOM 0 HG22 VAL A 35 48.436 21.223 -14.947 1.00 72.21 H new ATOM 0 HG23 VAL A 35 47.807 21.897 -16.470 1.00 72.21 H new ATOM 485 N PHE A 36 46.557 16.960 -15.942 1.00 22.41 N ATOM 486 CA PHE A 36 45.734 15.782 -16.123 1.00 15.50 C ATOM 487 C PHE A 36 44.349 16.005 -15.538 1.00 3.00 C ATOM 488 O PHE A 36 44.196 16.297 -14.353 1.00 12.52 O ATOM 489 CB PHE A 36 46.399 14.537 -15.508 1.00 12.44 C ATOM 490 CG PHE A 36 46.640 14.613 -14.021 1.00 61.13 C ATOM 491 CD1 PHE A 36 47.708 15.335 -13.511 1.00 3.24 C ATOM 492 CD2 PHE A 36 45.801 13.950 -13.137 1.00 5.12 C ATOM 493 CE1 PHE A 36 47.930 15.400 -12.149 1.00 63.02 C ATOM 494 CE2 PHE A 36 46.019 14.012 -11.775 1.00 41.31 C ATOM 495 CZ PHE A 36 47.085 14.739 -11.280 1.00 34.21 C ATOM 0 H PHE A 36 47.240 16.888 -15.188 1.00 22.41 H new ATOM 0 HA PHE A 36 45.629 15.604 -17.193 1.00 15.50 H new ATOM 0 HB2 PHE A 36 45.773 13.669 -15.716 1.00 12.44 H new ATOM 0 HB3 PHE A 36 47.353 14.369 -16.008 1.00 12.44 H new ATOM 0 HD1 PHE A 36 48.374 15.852 -14.186 1.00 3.24 H new ATOM 0 HD2 PHE A 36 44.968 13.379 -13.519 1.00 5.12 H new ATOM 0 HE1 PHE A 36 48.764 15.968 -11.764 1.00 63.02 H new ATOM 0 HE2 PHE A 36 45.357 13.493 -11.097 1.00 41.31 H new ATOM 0 HZ PHE A 36 47.257 14.790 -10.215 1.00 34.21 H new ATOM 505 N PHE A 37 43.350 15.902 -16.387 1.00 25.01 N ATOM 506 CA PHE A 37 41.978 15.977 -15.952 1.00 62.04 C ATOM 507 C PHE A 37 41.366 14.596 -16.141 1.00 14.13 C ATOM 508 O PHE A 37 41.993 13.730 -16.743 1.00 31.45 O ATOM 509 CB PHE A 37 41.221 17.046 -16.745 1.00 14.23 C ATOM 510 CG PHE A 37 39.989 17.551 -16.046 1.00 31.32 C ATOM 511 CD1 PHE A 37 40.099 18.340 -14.913 1.00 22.33 C ATOM 512 CD2 PHE A 37 38.725 17.243 -16.522 1.00 54.35 C ATOM 513 CE1 PHE A 37 38.972 18.811 -14.266 1.00 21.44 C ATOM 514 CE2 PHE A 37 37.594 17.710 -15.879 1.00 51.45 C ATOM 515 CZ PHE A 37 37.718 18.495 -14.751 1.00 44.14 C ATOM 0 H PHE A 37 43.467 15.765 -17.391 1.00 25.01 H new ATOM 0 HA PHE A 37 41.916 16.267 -14.903 1.00 62.04 H new ATOM 0 HB2 PHE A 37 41.889 17.885 -16.938 1.00 14.23 H new ATOM 0 HB3 PHE A 37 40.937 16.635 -17.714 1.00 14.23 H new ATOM 0 HD1 PHE A 37 41.077 18.590 -14.530 1.00 22.33 H new ATOM 0 HD2 PHE A 37 38.622 16.631 -17.406 1.00 54.35 H new ATOM 0 HE1 PHE A 37 39.072 19.425 -13.383 1.00 21.44 H new ATOM 0 HE2 PHE A 37 36.614 17.461 -16.259 1.00 51.45 H new ATOM 0 HZ PHE A 37 36.836 18.862 -14.248 1.00 44.14 H new ATOM 525 N LYS A 38 40.171 14.359 -15.634 1.00 43.23 N ATOM 526 CA LYS A 38 39.632 13.010 -15.658 1.00 35.22 C ATOM 527 C LYS A 38 38.153 13.003 -15.993 1.00 51.03 C ATOM 528 O LYS A 38 37.485 14.043 -15.995 1.00 30.24 O ATOM 529 CB LYS A 38 39.850 12.321 -14.309 1.00 15.03 C ATOM 530 CG LYS A 38 41.303 12.289 -13.858 1.00 64.22 C ATOM 531 CD LYS A 38 41.436 11.819 -12.419 1.00 33.25 C ATOM 532 CE LYS A 38 40.700 12.743 -11.461 1.00 40.42 C ATOM 533 NZ LYS A 38 40.943 12.382 -10.041 1.00 40.01 N1+ ATOM 0 H LYS A 38 39.566 15.063 -15.210 1.00 43.23 H new ATOM 0 HA LYS A 38 40.164 12.465 -16.438 1.00 35.22 H new ATOM 0 HB2 LYS A 38 39.256 12.832 -13.551 1.00 15.03 H new ATOM 0 HB3 LYS A 38 39.477 11.299 -14.370 1.00 15.03 H new ATOM 0 HG2 LYS A 38 41.872 11.627 -14.511 1.00 64.22 H new ATOM 0 HG3 LYS A 38 41.737 13.284 -13.957 1.00 64.22 H new ATOM 0 HD2 LYS A 38 41.040 10.808 -12.327 1.00 33.25 H new ATOM 0 HD3 LYS A 38 42.490 11.774 -12.146 1.00 33.25 H new ATOM 0 HE2 LYS A 38 41.018 13.771 -11.633 1.00 40.42 H new ATOM 0 HE3 LYS A 38 39.631 12.702 -11.667 1.00 40.42 H new ATOM 0 HZ1 LYS A 38 40.423 13.037 -9.422 1.00 40.01 H new ATOM 0 HZ2 LYS A 38 40.616 11.410 -9.869 1.00 40.01 H new ATOM 0 HZ3 LYS A 38 41.961 12.446 -9.836 1.00 40.01 H new ATOM 547 N ILE A 39 37.652 11.814 -16.273 1.00 41.44 N ATOM 548 CA ILE A 39 36.245 11.616 -16.536 1.00 3.01 C ATOM 549 C ILE A 39 35.668 10.690 -15.467 1.00 15.21 C ATOM 550 O ILE A 39 36.270 9.667 -15.135 1.00 30.24 O ATOM 551 CB ILE A 39 36.018 11.009 -17.942 1.00 12.45 C ATOM 552 CG1 ILE A 39 36.722 11.855 -19.009 1.00 11.22 C ATOM 553 CG2 ILE A 39 34.530 10.910 -18.246 1.00 43.02 C ATOM 554 CD1 ILE A 39 36.601 11.294 -20.409 1.00 42.02 C ATOM 0 H ILE A 39 38.211 10.962 -16.324 1.00 41.44 H new ATOM 0 HA ILE A 39 35.741 12.582 -16.506 1.00 3.01 H new ATOM 0 HB ILE A 39 36.443 10.005 -17.956 1.00 12.45 H new ATOM 0 HG12 ILE A 39 36.306 12.862 -18.994 1.00 11.22 H new ATOM 0 HG13 ILE A 39 37.778 11.942 -18.752 1.00 11.22 H new ATOM 0 HG21 ILE A 39 34.389 10.481 -19.238 1.00 43.02 H new ATOM 0 HG22 ILE A 39 34.049 10.273 -17.504 1.00 43.02 H new ATOM 0 HG23 ILE A 39 34.085 11.905 -18.214 1.00 43.02 H new ATOM 0 HD11 ILE A 39 37.124 11.946 -21.109 1.00 42.02 H new ATOM 0 HD12 ILE A 39 37.043 10.298 -20.441 1.00 42.02 H new ATOM 0 HD13 ILE A 39 35.549 11.233 -20.687 1.00 42.02 H new ATOM 566 N LYS A 40 34.512 11.047 -14.930 1.00 5.12 N ATOM 567 CA LYS A 40 33.892 10.271 -13.862 1.00 34.14 C ATOM 568 C LYS A 40 32.576 9.695 -14.357 1.00 65.10 C ATOM 569 O LYS A 40 32.440 8.488 -14.539 1.00 60.22 O ATOM 570 CB LYS A 40 33.675 11.156 -12.631 1.00 24.04 C ATOM 571 CG LYS A 40 33.237 10.398 -11.390 1.00 24.31 C ATOM 572 CD LYS A 40 33.219 11.307 -10.173 1.00 53.32 C ATOM 573 CE LYS A 40 32.918 10.537 -8.900 1.00 24.33 C ATOM 574 NZ LYS A 40 33.071 11.393 -7.698 1.00 41.13 N1+ ATOM 0 H LYS A 40 33.982 11.870 -15.215 1.00 5.12 H new ATOM 0 HA LYS A 40 34.548 9.449 -13.576 1.00 34.14 H new ATOM 0 HB2 LYS A 40 34.601 11.687 -12.411 1.00 24.04 H new ATOM 0 HB3 LYS A 40 32.924 11.910 -12.867 1.00 24.04 H new ATOM 0 HG2 LYS A 40 32.244 9.977 -11.548 1.00 24.31 H new ATOM 0 HG3 LYS A 40 33.913 9.562 -11.213 1.00 24.31 H new ATOM 0 HD2 LYS A 40 34.184 11.805 -10.077 1.00 53.32 H new ATOM 0 HD3 LYS A 40 32.470 12.086 -10.312 1.00 53.32 H new ATOM 0 HE2 LYS A 40 31.902 10.145 -8.942 1.00 24.33 H new ATOM 0 HE3 LYS A 40 33.587 9.680 -8.825 1.00 24.33 H new ATOM 0 HZ1 LYS A 40 32.858 10.836 -6.846 1.00 41.13 H new ATOM 0 HZ2 LYS A 40 34.048 11.746 -7.646 1.00 41.13 H new ATOM 0 HZ3 LYS A 40 32.415 12.197 -7.759 1.00 41.13 H new ATOM 588 N ARG A 41 31.611 10.572 -14.571 1.00 61.11 N ATOM 589 CA ARG A 41 30.411 10.217 -15.302 1.00 55.41 C ATOM 590 C ARG A 41 30.748 10.370 -16.778 1.00 11.40 C ATOM 591 O ARG A 41 31.633 11.158 -17.102 1.00 73.11 O ATOM 592 CB ARG A 41 29.265 11.155 -14.910 1.00 22.45 C ATOM 593 CG ARG A 41 27.879 10.579 -15.147 1.00 52.54 C ATOM 594 CD ARG A 41 26.799 11.617 -14.883 1.00 73.40 C ATOM 595 NE ARG A 41 26.719 12.602 -15.962 1.00 54.01 N ATOM 596 CZ ARG A 41 26.487 13.904 -15.785 1.00 61.02 C ATOM 597 NH1 ARG A 41 26.378 14.416 -14.563 1.00 20.44 N1+ ATOM 598 NH2 ARG A 41 26.389 14.695 -16.847 1.00 0.21 N ATOM 0 H ARG A 41 31.637 11.539 -14.247 1.00 61.11 H new ATOM 0 HA ARG A 41 30.091 9.199 -15.079 1.00 55.41 H new ATOM 0 HB2 ARG A 41 29.364 11.410 -13.855 1.00 22.45 H new ATOM 0 HB3 ARG A 41 29.362 12.083 -15.473 1.00 22.45 H new ATOM 0 HG2 ARG A 41 27.801 10.223 -16.174 1.00 52.54 H new ATOM 0 HG3 ARG A 41 27.725 9.717 -14.498 1.00 52.54 H new ATOM 0 HD2 ARG A 41 25.835 11.119 -14.772 1.00 73.40 H new ATOM 0 HD3 ARG A 41 27.005 12.125 -13.941 1.00 73.40 H new ATOM 0 HE ARG A 41 26.850 12.270 -16.917 1.00 54.01 H new ATOM 0 HH11 ARG A 41 26.472 13.812 -13.747 1.00 20.44 H new ATOM 0 HH12 ARG A 41 26.201 15.413 -14.442 1.00 20.44 H new ATOM 0 HH21 ARG A 41 26.491 14.305 -17.784 1.00 0.21 H new ATOM 0 HH22 ARG A 41 26.212 15.692 -16.726 1.00 0.21 H new ATOM 612 N LYS A 42 30.091 9.628 -17.669 1.00 54.02 N ATOM 613 CA LYS A 42 30.408 9.736 -19.097 1.00 62.15 C ATOM 614 C LYS A 42 30.193 11.161 -19.563 1.00 3.33 C ATOM 615 O LYS A 42 29.060 11.593 -19.781 1.00 72.44 O ATOM 616 CB LYS A 42 29.560 8.790 -19.945 1.00 51.35 C ATOM 617 CG LYS A 42 30.009 8.699 -21.400 1.00 53.14 C ATOM 618 CD LYS A 42 31.393 8.063 -21.531 1.00 3.24 C ATOM 619 CE LYS A 42 31.382 6.594 -21.124 1.00 73.02 C ATOM 620 NZ LYS A 42 32.725 5.965 -21.241 1.00 32.32 N1+ ATOM 0 H LYS A 42 29.354 8.961 -17.439 1.00 54.02 H new ATOM 0 HA LYS A 42 31.453 9.452 -19.224 1.00 62.15 H new ATOM 0 HB2 LYS A 42 29.590 7.794 -19.502 1.00 51.35 H new ATOM 0 HB3 LYS A 42 28.522 9.121 -19.915 1.00 51.35 H new ATOM 0 HG2 LYS A 42 29.285 8.114 -21.967 1.00 53.14 H new ATOM 0 HG3 LYS A 42 30.025 9.697 -21.838 1.00 53.14 H new ATOM 0 HD2 LYS A 42 31.738 8.152 -22.561 1.00 3.24 H new ATOM 0 HD3 LYS A 42 32.103 8.607 -20.909 1.00 3.24 H new ATOM 0 HE2 LYS A 42 31.031 6.507 -20.096 1.00 73.02 H new ATOM 0 HE3 LYS A 42 30.673 6.051 -21.750 1.00 73.02 H new ATOM 0 HZ1 LYS A 42 32.618 4.966 -21.508 1.00 32.32 H new ATOM 0 HZ2 LYS A 42 33.278 6.461 -21.969 1.00 32.32 H new ATOM 0 HZ3 LYS A 42 33.219 6.028 -20.328 1.00 32.32 H new ATOM 634 N THR A 43 31.280 11.890 -19.693 1.00 11.20 N ATOM 635 CA THR A 43 31.205 13.289 -20.021 1.00 30.45 C ATOM 636 C THR A 43 32.044 13.624 -21.240 1.00 71.22 C ATOM 637 O THR A 43 33.249 13.365 -21.281 1.00 12.31 O ATOM 638 CB THR A 43 31.621 14.165 -18.825 1.00 43.34 C ATOM 639 OG1 THR A 43 32.613 13.490 -18.041 1.00 31.45 O ATOM 640 CG2 THR A 43 30.417 14.497 -17.955 1.00 44.42 C ATOM 0 H THR A 43 32.228 11.532 -19.575 1.00 11.20 H new ATOM 0 HA THR A 43 30.164 13.506 -20.260 1.00 30.45 H new ATOM 0 HB THR A 43 32.039 15.095 -19.212 1.00 43.34 H new ATOM 0 HG1 THR A 43 32.187 12.782 -17.514 1.00 31.45 H new ATOM 0 HG21 THR A 43 30.734 15.117 -17.116 1.00 44.42 H new ATOM 0 HG22 THR A 43 29.679 15.038 -18.547 1.00 44.42 H new ATOM 0 HG23 THR A 43 29.975 13.575 -17.578 1.00 44.42 H new ATOM 648 N LYS A 44 31.341 14.109 -22.250 1.00 62.32 N ATOM 649 CA LYS A 44 31.924 14.740 -23.445 1.00 25.23 C ATOM 650 C LYS A 44 33.280 15.408 -23.193 1.00 4.31 C ATOM 651 O LYS A 44 33.553 15.935 -22.108 1.00 45.53 O ATOM 652 CB LYS A 44 30.984 15.830 -23.954 1.00 50.13 C ATOM 653 CG LYS A 44 29.618 15.353 -24.396 1.00 21.31 C ATOM 654 CD LYS A 44 28.606 16.476 -24.260 1.00 45.42 C ATOM 655 CE LYS A 44 27.416 16.293 -25.177 1.00 25.02 C ATOM 656 NZ LYS A 44 27.789 16.478 -26.603 1.00 21.22 N1+ ATOM 0 H LYS A 44 30.322 14.079 -22.272 1.00 62.32 H new ATOM 0 HA LYS A 44 32.066 13.933 -24.164 1.00 25.23 H new ATOM 0 HB2 LYS A 44 30.854 16.571 -23.166 1.00 50.13 H new ATOM 0 HB3 LYS A 44 31.462 16.337 -24.792 1.00 50.13 H new ATOM 0 HG2 LYS A 44 29.660 15.014 -25.431 1.00 21.31 H new ATOM 0 HG3 LYS A 44 29.309 14.499 -23.793 1.00 21.31 H new ATOM 0 HD2 LYS A 44 28.261 16.528 -23.227 1.00 45.42 H new ATOM 0 HD3 LYS A 44 29.090 17.427 -24.482 1.00 45.42 H new ATOM 0 HE2 LYS A 44 26.998 15.296 -25.036 1.00 25.02 H new ATOM 0 HE3 LYS A 44 26.637 17.006 -24.909 1.00 25.02 H new ATOM 0 HZ1 LYS A 44 27.029 16.987 -27.098 1.00 21.22 H new ATOM 0 HZ2 LYS A 44 28.669 17.028 -26.663 1.00 21.22 H new ATOM 0 HZ3 LYS A 44 27.931 15.549 -27.048 1.00 21.22 H new ATOM 670 N LEU A 45 34.088 15.453 -24.246 1.00 35.14 N ATOM 671 CA LEU A 45 35.358 16.164 -24.222 1.00 14.24 C ATOM 672 C LEU A 45 35.117 17.658 -24.055 1.00 21.03 C ATOM 673 O LEU A 45 36.020 18.408 -23.684 1.00 72.43 O ATOM 674 CB LEU A 45 36.124 15.925 -25.525 1.00 45.14 C ATOM 675 CG LEU A 45 36.429 14.465 -25.853 1.00 62.15 C ATOM 676 CD1 LEU A 45 36.918 14.341 -27.284 1.00 1.23 C ATOM 677 CD2 LEU A 45 37.467 13.909 -24.894 1.00 32.21 C ATOM 0 H LEU A 45 33.881 14.999 -25.136 1.00 35.14 H new ATOM 0 HA LEU A 45 35.945 15.791 -23.383 1.00 14.24 H new ATOM 0 HB2 LEU A 45 35.549 16.351 -26.347 1.00 45.14 H new ATOM 0 HB3 LEU A 45 37.065 16.472 -25.478 1.00 45.14 H new ATOM 0 HG LEU A 45 35.512 13.887 -25.743 1.00 62.15 H new ATOM 0 HD11 LEU A 45 37.132 13.296 -27.506 1.00 1.23 H new ATOM 0 HD12 LEU A 45 36.149 14.706 -27.964 1.00 1.23 H new ATOM 0 HD13 LEU A 45 37.825 14.932 -27.411 1.00 1.23 H new ATOM 0 HD21 LEU A 45 37.672 12.868 -25.143 1.00 32.21 H new ATOM 0 HD22 LEU A 45 38.386 14.489 -24.976 1.00 32.21 H new ATOM 0 HD23 LEU A 45 37.089 13.970 -23.873 1.00 32.21 H new ATOM 689 N GLU A 46 33.885 18.078 -24.336 1.00 23.02 N ATOM 690 CA GLU A 46 33.516 19.479 -24.261 1.00 4.12 C ATOM 691 C GLU A 46 33.734 20.028 -22.854 1.00 12.14 C ATOM 692 O GLU A 46 34.437 21.016 -22.678 1.00 22.14 O ATOM 693 CB GLU A 46 32.064 19.659 -24.705 1.00 14.42 C ATOM 694 CG GLU A 46 31.820 19.183 -26.131 1.00 64.54 C ATOM 695 CD GLU A 46 30.398 19.399 -26.602 1.00 23.41 C ATOM 696 OE1 GLU A 46 29.582 18.458 -26.509 1.00 71.11 O ATOM 697 OE2 GLU A 46 30.094 20.502 -27.089 1.00 72.42 O1- ATOM 0 H GLU A 46 33.125 17.459 -24.619 1.00 23.02 H new ATOM 0 HA GLU A 46 34.158 20.046 -24.935 1.00 4.12 H new ATOM 0 HB2 GLU A 46 31.411 19.110 -24.027 1.00 14.42 H new ATOM 0 HB3 GLU A 46 31.793 20.712 -24.627 1.00 14.42 H new ATOM 0 HG2 GLU A 46 32.501 19.707 -26.802 1.00 64.54 H new ATOM 0 HG3 GLU A 46 32.060 18.122 -26.198 1.00 64.54 H new ATOM 704 N LYS A 47 33.182 19.360 -21.846 1.00 62.41 N ATOM 705 CA LYS A 47 33.329 19.827 -20.470 1.00 33.34 C ATOM 706 C LYS A 47 34.785 19.726 -20.030 1.00 42.22 C ATOM 707 O LYS A 47 35.258 20.526 -19.229 1.00 54.00 O ATOM 708 CB LYS A 47 32.407 19.043 -19.519 1.00 45.33 C ATOM 709 CG LYS A 47 32.847 17.615 -19.225 1.00 32.31 C ATOM 710 CD LYS A 47 33.715 17.532 -17.975 1.00 42.23 C ATOM 711 CE LYS A 47 34.169 16.106 -17.705 1.00 42.04 C ATOM 712 NZ LYS A 47 34.878 15.980 -16.405 1.00 24.31 N1+ ATOM 0 H LYS A 47 32.636 18.505 -21.952 1.00 62.41 H new ATOM 0 HA LYS A 47 33.030 20.874 -20.428 1.00 33.34 H new ATOM 0 HB2 LYS A 47 32.336 19.586 -18.577 1.00 45.33 H new ATOM 0 HB3 LYS A 47 31.405 19.017 -19.948 1.00 45.33 H new ATOM 0 HG2 LYS A 47 31.968 16.983 -19.099 1.00 32.31 H new ATOM 0 HG3 LYS A 47 33.401 17.223 -20.078 1.00 32.31 H new ATOM 0 HD2 LYS A 47 34.586 18.176 -18.093 1.00 42.23 H new ATOM 0 HD3 LYS A 47 33.156 17.905 -17.117 1.00 42.23 H new ATOM 0 HE2 LYS A 47 33.303 15.444 -17.711 1.00 42.04 H new ATOM 0 HE3 LYS A 47 34.827 15.777 -18.509 1.00 42.04 H new ATOM 0 HZ1 LYS A 47 35.890 15.815 -16.576 1.00 24.31 H new ATOM 0 HZ2 LYS A 47 34.758 16.856 -15.858 1.00 24.31 H new ATOM 0 HZ3 LYS A 47 34.483 15.180 -15.870 1.00 24.31 H new ATOM 726 N LEU A 48 35.496 18.747 -20.587 1.00 14.11 N ATOM 727 CA LEU A 48 36.909 18.539 -20.283 1.00 44.42 C ATOM 728 C LEU A 48 37.726 19.766 -20.665 1.00 0.14 C ATOM 729 O LEU A 48 38.712 20.091 -20.009 1.00 70.35 O ATOM 730 CB LEU A 48 37.417 17.295 -21.015 1.00 44.10 C ATOM 731 CG LEU A 48 36.804 15.976 -20.535 1.00 40.42 C ATOM 732 CD1 LEU A 48 37.101 14.857 -21.519 1.00 3.42 C ATOM 733 CD2 LEU A 48 37.331 15.620 -19.158 1.00 0.32 C ATOM 0 H LEU A 48 35.112 18.081 -21.257 1.00 14.11 H new ATOM 0 HA LEU A 48 37.023 18.384 -19.210 1.00 44.42 H new ATOM 0 HB2 LEU A 48 37.214 17.408 -22.080 1.00 44.10 H new ATOM 0 HB3 LEU A 48 38.500 17.240 -20.901 1.00 44.10 H new ATOM 0 HG LEU A 48 35.723 16.102 -20.474 1.00 40.42 H new ATOM 0 HD11 LEU A 48 36.657 13.929 -21.159 1.00 3.42 H new ATOM 0 HD12 LEU A 48 36.680 15.107 -22.493 1.00 3.42 H new ATOM 0 HD13 LEU A 48 38.180 14.731 -21.612 1.00 3.42 H new ATOM 0 HD21 LEU A 48 36.886 14.680 -18.830 1.00 0.32 H new ATOM 0 HD22 LEU A 48 38.415 15.514 -19.200 1.00 0.32 H new ATOM 0 HD23 LEU A 48 37.071 16.410 -18.453 1.00 0.32 H new ATOM 745 N MET A 49 37.301 20.461 -21.710 1.00 43.23 N ATOM 746 CA MET A 49 37.989 21.669 -22.132 1.00 60.12 C ATOM 747 C MET A 49 37.320 22.912 -21.544 1.00 53.42 C ATOM 748 O MET A 49 37.986 23.914 -21.289 1.00 5.35 O ATOM 749 CB MET A 49 38.048 21.762 -23.662 1.00 51.40 C ATOM 750 CG MET A 49 36.693 21.937 -24.332 1.00 63.31 C ATOM 751 SD MET A 49 36.775 21.773 -26.125 1.00 50.54 S ATOM 752 CE MET A 49 37.315 20.072 -26.279 1.00 11.13 C ATOM 0 H MET A 49 36.490 20.211 -22.276 1.00 43.23 H new ATOM 0 HA MET A 49 39.010 21.620 -21.755 1.00 60.12 H new ATOM 0 HB2 MET A 49 38.688 22.600 -23.939 1.00 51.40 H new ATOM 0 HB3 MET A 49 38.519 20.859 -24.051 1.00 51.40 H new ATOM 0 HG2 MET A 49 35.998 21.197 -23.935 1.00 63.31 H new ATOM 0 HG3 MET A 49 36.292 22.918 -24.079 1.00 63.31 H new ATOM 0 HE1 MET A 49 38.342 20.048 -26.645 1.00 11.13 H new ATOM 0 HE2 MET A 49 37.265 19.585 -25.305 1.00 11.13 H new ATOM 0 HE3 MET A 49 36.667 19.547 -26.981 1.00 11.13 H new ATOM 762 N GLU A 50 36.007 22.842 -21.313 1.00 62.40 N ATOM 763 CA GLU A 50 35.271 23.972 -20.744 1.00 61.02 C ATOM 764 C GLU A 50 35.704 24.254 -19.311 1.00 64.22 C ATOM 765 O GLU A 50 35.714 25.409 -18.879 1.00 60.03 O ATOM 766 CB GLU A 50 33.762 23.740 -20.787 1.00 62.50 C ATOM 767 CG GLU A 50 33.177 23.704 -22.190 1.00 60.44 C ATOM 768 CD GLU A 50 31.683 23.450 -22.181 1.00 51.34 C ATOM 769 OE1 GLU A 50 30.908 24.430 -22.201 1.00 24.22 O ATOM 770 OE2 GLU A 50 31.276 22.273 -22.124 1.00 23.12 O1- ATOM 0 H GLU A 50 35.435 22.021 -21.510 1.00 62.40 H new ATOM 0 HA GLU A 50 35.507 24.840 -21.359 1.00 61.02 H new ATOM 0 HB2 GLU A 50 33.536 22.798 -20.287 1.00 62.50 H new ATOM 0 HB3 GLU A 50 33.268 24.529 -20.220 1.00 62.50 H new ATOM 0 HG2 GLU A 50 33.380 24.651 -22.691 1.00 60.44 H new ATOM 0 HG3 GLU A 50 33.673 22.925 -22.769 1.00 60.44 H new ATOM 777 N VAL A 51 36.049 23.207 -18.566 1.00 23.21 N ATOM 778 CA VAL A 51 36.602 23.390 -17.229 1.00 24.13 C ATOM 779 C VAL A 51 37.860 24.253 -17.297 1.00 13.12 C ATOM 780 O VAL A 51 38.075 25.131 -16.459 1.00 53.21 O ATOM 781 CB VAL A 51 36.924 22.040 -16.547 1.00 43.11 C ATOM 782 CG1 VAL A 51 37.664 22.254 -15.235 1.00 70.21 C ATOM 783 CG2 VAL A 51 35.651 21.245 -16.304 1.00 72.35 C ATOM 0 H VAL A 51 35.957 22.235 -18.861 1.00 23.21 H new ATOM 0 HA VAL A 51 35.845 23.892 -16.626 1.00 24.13 H new ATOM 0 HB VAL A 51 37.570 21.473 -17.218 1.00 43.11 H new ATOM 0 HG11 VAL A 51 37.878 21.289 -14.776 1.00 70.21 H new ATOM 0 HG12 VAL A 51 38.599 22.780 -15.426 1.00 70.21 H new ATOM 0 HG13 VAL A 51 37.046 22.847 -14.561 1.00 70.21 H new ATOM 0 HG21 VAL A 51 35.899 20.299 -15.824 1.00 72.35 H new ATOM 0 HG22 VAL A 51 34.983 21.816 -15.658 1.00 72.35 H new ATOM 0 HG23 VAL A 51 35.157 21.050 -17.256 1.00 72.35 H new ATOM 793 N TYR A 52 38.663 24.027 -18.329 1.00 25.31 N ATOM 794 CA TYR A 52 39.879 24.798 -18.523 1.00 60.25 C ATOM 795 C TYR A 52 39.574 26.185 -19.079 1.00 22.34 C ATOM 796 O TYR A 52 40.286 27.137 -18.773 1.00 70.03 O ATOM 797 CB TYR A 52 40.866 24.045 -19.418 1.00 50.21 C ATOM 798 CG TYR A 52 41.558 22.910 -18.698 1.00 54.44 C ATOM 799 CD1 TYR A 52 41.137 21.595 -18.851 1.00 10.40 C ATOM 800 CD2 TYR A 52 42.625 23.160 -17.846 1.00 35.44 C ATOM 801 CE1 TYR A 52 41.760 20.562 -18.177 1.00 44.31 C ATOM 802 CE2 TYR A 52 43.256 22.134 -17.172 1.00 2.44 C ATOM 803 CZ TYR A 52 42.820 20.837 -17.339 1.00 61.10 C ATOM 804 OH TYR A 52 43.441 19.815 -16.662 1.00 70.14 O ATOM 0 H TYR A 52 38.493 23.317 -19.042 1.00 25.31 H new ATOM 0 HA TYR A 52 40.347 24.933 -17.548 1.00 60.25 H new ATOM 0 HB2 TYR A 52 40.336 23.650 -20.285 1.00 50.21 H new ATOM 0 HB3 TYR A 52 41.615 24.742 -19.793 1.00 50.21 H new ATOM 0 HD1 TYR A 52 40.308 21.376 -19.508 1.00 10.40 H new ATOM 0 HD2 TYR A 52 42.967 24.175 -17.708 1.00 35.44 H new ATOM 0 HE1 TYR A 52 41.419 19.545 -18.306 1.00 44.31 H new ATOM 0 HE2 TYR A 52 44.088 22.346 -16.517 1.00 2.44 H new ATOM 0 HH TYR A 52 44.125 19.410 -17.236 1.00 70.14 H new ATOM 814 N CYS A 53 38.511 26.309 -19.879 1.00 62.33 N ATOM 815 CA CYS A 53 38.069 27.613 -20.350 1.00 41.30 C ATOM 816 C CYS A 53 37.833 28.561 -19.175 1.00 4.33 C ATOM 817 O CYS A 53 38.343 29.681 -19.141 1.00 34.34 O ATOM 818 CB CYS A 53 36.784 27.461 -21.161 1.00 62.10 C ATOM 819 SG CYS A 53 36.928 26.323 -22.554 1.00 24.41 S ATOM 0 H CYS A 53 37.948 25.525 -20.209 1.00 62.33 H new ATOM 0 HA CYS A 53 38.849 28.036 -20.983 1.00 41.30 H new ATOM 0 HB2 CYS A 53 35.989 27.113 -20.501 1.00 62.10 H new ATOM 0 HB3 CYS A 53 36.484 28.440 -21.534 1.00 62.10 H new ATOM 0 HG CYS A 53 37.608 25.276 -22.191 1.00 24.41 H new ATOM 825 N ASN A 54 37.087 28.081 -18.191 1.00 31.24 N ATOM 826 CA ASN A 54 36.726 28.892 -17.035 1.00 23.21 C ATOM 827 C ASN A 54 37.922 29.078 -16.101 1.00 50.15 C ATOM 828 O ASN A 54 37.989 30.045 -15.343 1.00 44.41 O ATOM 829 CB ASN A 54 35.550 28.247 -16.294 1.00 60.32 C ATOM 830 CG ASN A 54 35.045 29.085 -15.138 1.00 62.25 C ATOM 831 OD1 ASN A 54 35.429 28.878 -13.988 1.00 53.02 O ATOM 832 ND2 ASN A 54 34.186 30.045 -15.441 1.00 23.34 N ATOM 0 H ASN A 54 36.718 27.130 -18.169 1.00 31.24 H new ATOM 0 HA ASN A 54 36.423 29.880 -17.383 1.00 23.21 H new ATOM 0 HB2 ASN A 54 34.734 28.079 -16.997 1.00 60.32 H new ATOM 0 HB3 ASN A 54 35.856 27.270 -15.920 1.00 60.32 H new ATOM 0 HD21 ASN A 54 33.816 30.648 -14.707 1.00 23.34 H new ATOM 0 HD22 ASN A 54 33.894 30.182 -16.409 1.00 23.34 H new ATOM 839 N ARG A 55 38.878 28.160 -16.176 1.00 12.20 N ATOM 840 CA ARG A 55 40.067 28.233 -15.338 1.00 42.42 C ATOM 841 C ARG A 55 41.082 29.218 -15.919 1.00 32.14 C ATOM 842 O ARG A 55 41.805 29.888 -15.180 1.00 34.11 O ATOM 843 CB ARG A 55 40.701 26.845 -15.182 1.00 23.13 C ATOM 844 CG ARG A 55 41.828 26.787 -14.154 1.00 12.33 C ATOM 845 CD ARG A 55 41.310 26.905 -12.723 1.00 14.04 C ATOM 846 NE ARG A 55 40.674 28.199 -12.466 1.00 32.42 N ATOM 847 CZ ARG A 55 39.583 28.365 -11.715 1.00 13.03 C ATOM 848 NH1 ARG A 55 39.040 27.334 -11.077 1.00 74.42 N1+ ATOM 849 NH2 ARG A 55 39.051 29.572 -11.587 1.00 31.52 N ATOM 0 H ARG A 55 38.853 27.359 -16.807 1.00 12.20 H new ATOM 0 HA ARG A 55 39.766 28.591 -14.354 1.00 42.42 H new ATOM 0 HB2 ARG A 55 39.926 26.133 -14.897 1.00 23.13 H new ATOM 0 HB3 ARG A 55 41.089 26.524 -16.149 1.00 23.13 H new ATOM 0 HG2 ARG A 55 42.371 25.849 -14.266 1.00 12.33 H new ATOM 0 HG3 ARG A 55 42.537 27.591 -14.349 1.00 12.33 H new ATOM 0 HD2 ARG A 55 40.593 26.106 -12.532 1.00 14.04 H new ATOM 0 HD3 ARG A 55 42.137 26.765 -12.027 1.00 14.04 H new ATOM 0 HE ARG A 55 41.092 29.028 -12.889 1.00 32.42 H new ATOM 0 HH11 ARG A 55 39.457 26.407 -11.159 1.00 74.42 H new ATOM 0 HH12 ARG A 55 38.206 27.470 -10.505 1.00 74.42 H new ATOM 0 HH21 ARG A 55 39.475 30.369 -12.061 1.00 31.52 H new ATOM 0 HH22 ARG A 55 38.217 29.704 -11.014 1.00 31.52 H new ATOM 863 N LEU A 56 41.131 29.303 -17.243 1.00 75.42 N ATOM 864 CA LEU A 56 42.052 30.212 -17.918 1.00 60.21 C ATOM 865 C LEU A 56 41.460 31.614 -18.009 1.00 22.05 C ATOM 866 O LEU A 56 42.182 32.599 -18.171 1.00 73.52 O ATOM 867 CB LEU A 56 42.384 29.696 -19.323 1.00 50.30 C ATOM 868 CG LEU A 56 43.103 28.345 -19.375 1.00 25.35 C ATOM 869 CD1 LEU A 56 43.294 27.899 -20.817 1.00 0.31 C ATOM 870 CD2 LEU A 56 44.447 28.423 -18.661 1.00 31.13 C ATOM 0 H LEU A 56 40.544 28.754 -17.871 1.00 75.42 H new ATOM 0 HA LEU A 56 42.969 30.257 -17.331 1.00 60.21 H new ATOM 0 HB2 LEU A 56 41.457 29.617 -19.891 1.00 50.30 H new ATOM 0 HB3 LEU A 56 43.004 30.438 -19.827 1.00 50.30 H new ATOM 0 HG LEU A 56 42.484 27.608 -18.863 1.00 25.35 H new ATOM 0 HD11 LEU A 56 43.807 26.937 -20.836 1.00 0.31 H new ATOM 0 HD12 LEU A 56 42.321 27.801 -21.299 1.00 0.31 H new ATOM 0 HD13 LEU A 56 43.891 28.639 -21.351 1.00 0.31 H new ATOM 0 HD21 LEU A 56 44.942 27.453 -18.709 1.00 31.13 H new ATOM 0 HD22 LEU A 56 45.073 29.174 -19.144 1.00 31.13 H new ATOM 0 HD23 LEU A 56 44.290 28.698 -17.618 1.00 31.13 H new ATOM 882 N GLY A 57 40.143 31.696 -17.906 1.00 1.41 N ATOM 883 CA GLY A 57 39.470 32.976 -17.982 1.00 43.53 C ATOM 884 C GLY A 57 38.996 33.282 -19.387 1.00 60.04 C ATOM 885 O GLY A 57 38.417 34.339 -19.642 1.00 13.12 O ATOM 0 H GLY A 57 39.525 30.896 -17.771 1.00 1.41 H new ATOM 0 HA2 GLY A 57 38.618 32.979 -17.303 1.00 43.53 H new ATOM 0 HA3 GLY A 57 40.147 33.762 -17.648 1.00 43.53 H new ATOM 889 N GLN A 58 39.238 32.352 -20.297 1.00 5.23 N ATOM 890 CA GLN A 58 38.846 32.511 -21.686 1.00 75.33 C ATOM 891 C GLN A 58 38.235 31.208 -22.185 1.00 45.23 C ATOM 892 O GLN A 58 38.803 30.136 -21.994 1.00 23.22 O ATOM 893 CB GLN A 58 40.058 32.915 -22.530 1.00 11.42 C ATOM 894 CG GLN A 58 39.710 33.294 -23.957 1.00 44.44 C ATOM 895 CD GLN A 58 38.670 34.397 -24.036 1.00 61.21 C ATOM 896 OE1 GLN A 58 37.465 34.131 -24.075 1.00 43.03 O ATOM 897 NE2 GLN A 58 39.123 35.638 -24.065 1.00 21.11 N ATOM 0 H GLN A 58 39.709 31.470 -20.094 1.00 5.23 H new ATOM 0 HA GLN A 58 38.101 33.302 -21.774 1.00 75.33 H new ATOM 0 HB2 GLN A 58 40.558 33.757 -22.052 1.00 11.42 H new ATOM 0 HB3 GLN A 58 40.769 32.089 -22.546 1.00 11.42 H new ATOM 0 HG2 GLN A 58 40.614 33.616 -24.473 1.00 44.44 H new ATOM 0 HG3 GLN A 58 39.340 32.413 -24.482 1.00 44.44 H new ATOM 0 HE21 GLN A 58 40.127 35.815 -24.031 1.00 21.11 H new ATOM 0 HE22 GLN A 58 38.469 36.419 -24.122 1.00 21.11 H new ATOM 906 N SER A 59 37.077 31.308 -22.818 1.00 14.32 N ATOM 907 CA SER A 59 36.270 30.140 -23.126 1.00 21.14 C ATOM 908 C SER A 59 36.653 29.479 -24.454 1.00 30.15 C ATOM 909 O SER A 59 37.539 29.945 -25.172 1.00 21.13 O ATOM 910 CB SER A 59 34.798 30.520 -23.093 1.00 31.20 C ATOM 911 OG SER A 59 34.562 31.690 -23.859 1.00 0.21 O ATOM 0 H SER A 59 36.674 32.192 -23.130 1.00 14.32 H new ATOM 0 HA SER A 59 36.466 29.388 -22.361 1.00 21.14 H new ATOM 0 HB2 SER A 59 34.197 29.698 -23.482 1.00 31.20 H new ATOM 0 HB3 SER A 59 34.484 30.685 -22.062 1.00 31.20 H new ATOM 0 HG SER A 59 33.929 31.487 -24.579 1.00 0.21 H new ATOM 917 N MET A 60 35.950 28.396 -24.772 1.00 4.23 N ATOM 918 CA MET A 60 36.374 27.450 -25.801 1.00 54.32 C ATOM 919 C MET A 60 36.236 27.975 -27.235 1.00 62.24 C ATOM 920 O MET A 60 36.834 27.416 -28.150 1.00 52.30 O ATOM 921 CB MET A 60 35.644 26.110 -25.617 1.00 53.34 C ATOM 922 CG MET A 60 34.127 26.210 -25.508 1.00 74.42 C ATOM 923 SD MET A 60 33.311 26.581 -27.074 1.00 3.20 S ATOM 924 CE MET A 60 31.597 26.612 -26.553 1.00 21.54 C ATOM 0 H MET A 60 35.068 28.149 -24.323 1.00 4.23 H new ATOM 0 HA MET A 60 37.445 27.302 -25.662 1.00 54.32 H new ATOM 0 HB2 MET A 60 35.890 25.461 -26.458 1.00 53.34 H new ATOM 0 HB3 MET A 60 36.026 25.626 -24.718 1.00 53.34 H new ATOM 0 HG2 MET A 60 33.737 25.270 -25.119 1.00 74.42 H new ATOM 0 HG3 MET A 60 33.874 26.984 -24.784 1.00 74.42 H new ATOM 0 HE1 MET A 60 30.960 26.830 -27.410 1.00 21.54 H new ATOM 0 HE2 MET A 60 31.326 25.642 -26.137 1.00 21.54 H new ATOM 0 HE3 MET A 60 31.461 27.383 -25.795 1.00 21.54 H new ATOM 934 N GLU A 61 35.470 29.041 -27.455 1.00 23.42 N ATOM 935 CA GLU A 61 35.409 29.632 -28.795 1.00 74.42 C ATOM 936 C GLU A 61 36.622 30.531 -29.037 1.00 75.51 C ATOM 937 O GLU A 61 36.778 31.125 -30.105 1.00 20.42 O ATOM 938 CB GLU A 61 34.109 30.410 -29.033 1.00 42.44 C ATOM 939 CG GLU A 61 33.812 31.484 -28.000 1.00 61.05 C ATOM 940 CD GLU A 61 32.998 30.958 -26.840 1.00 11.12 C ATOM 941 OE1 GLU A 61 31.758 31.098 -26.868 1.00 22.14 O ATOM 942 OE2 GLU A 61 33.591 30.405 -25.895 1.00 34.12 O1- ATOM 0 H GLU A 61 34.898 29.504 -26.749 1.00 23.42 H new ATOM 0 HA GLU A 61 35.424 28.809 -29.509 1.00 74.42 H new ATOM 0 HB2 GLU A 61 34.155 30.875 -30.018 1.00 42.44 H new ATOM 0 HB3 GLU A 61 33.278 29.705 -29.053 1.00 42.44 H new ATOM 0 HG2 GLU A 61 34.750 31.894 -27.626 1.00 61.05 H new ATOM 0 HG3 GLU A 61 33.274 32.303 -28.476 1.00 61.05 H new ATOM 949 N ALA A 62 37.477 30.618 -28.029 1.00 52.12 N ATOM 950 CA ALA A 62 38.701 31.378 -28.099 1.00 65.21 C ATOM 951 C ALA A 62 39.897 30.442 -27.993 1.00 34.10 C ATOM 952 O ALA A 62 41.029 30.883 -27.800 1.00 64.00 O ATOM 953 CB ALA A 62 38.739 32.437 -27.011 1.00 61.24 C ATOM 0 H ALA A 62 37.332 30.155 -27.132 1.00 52.12 H new ATOM 0 HA ALA A 62 38.745 31.890 -29.060 1.00 65.21 H new ATOM 0 HB1 ALA A 62 39.671 32.998 -27.082 1.00 61.24 H new ATOM 0 HB2 ALA A 62 37.896 33.116 -27.135 1.00 61.24 H new ATOM 0 HB3 ALA A 62 38.678 31.957 -26.034 1.00 61.24 H new ATOM 959 N VAL A 63 39.629 29.141 -28.098 1.00 73.13 N ATOM 960 CA VAL A 63 40.685 28.137 -28.154 1.00 24.42 C ATOM 961 C VAL A 63 40.403 27.129 -29.269 1.00 55.34 C ATOM 962 O VAL A 63 39.255 26.931 -29.663 1.00 73.14 O ATOM 963 CB VAL A 63 40.864 27.375 -26.816 1.00 61.35 C ATOM 964 CG1 VAL A 63 41.223 28.326 -25.686 1.00 71.21 C ATOM 965 CG2 VAL A 63 39.620 26.575 -26.467 1.00 55.25 C ATOM 0 H VAL A 63 38.685 28.759 -28.146 1.00 73.13 H new ATOM 0 HA VAL A 63 41.611 28.676 -28.355 1.00 24.42 H new ATOM 0 HB VAL A 63 41.690 26.676 -26.946 1.00 61.35 H new ATOM 0 HG11 VAL A 63 41.342 27.763 -24.760 1.00 71.21 H new ATOM 0 HG12 VAL A 63 42.156 28.836 -25.923 1.00 71.21 H new ATOM 0 HG13 VAL A 63 40.428 29.062 -25.563 1.00 71.21 H new ATOM 0 HG21 VAL A 63 39.777 26.052 -25.524 1.00 55.25 H new ATOM 0 HG22 VAL A 63 38.769 27.249 -26.371 1.00 55.25 H new ATOM 0 HG23 VAL A 63 39.421 25.849 -27.256 1.00 55.25 H new ATOM 975 N ARG A 64 41.453 26.520 -29.801 1.00 62.12 N ATOM 976 CA ARG A 64 41.302 25.475 -30.804 1.00 22.32 C ATOM 977 C ARG A 64 41.770 24.154 -30.223 1.00 10.41 C ATOM 978 O ARG A 64 42.954 23.979 -29.950 1.00 51.14 O ATOM 979 CB ARG A 64 42.109 25.793 -32.066 1.00 54.44 C ATOM 980 CG ARG A 64 41.417 25.405 -33.367 1.00 13.01 C ATOM 981 CD ARG A 64 41.067 23.924 -33.425 1.00 42.55 C ATOM 982 NE ARG A 64 40.464 23.562 -34.705 1.00 31.25 N ATOM 983 CZ ARG A 64 39.556 22.600 -34.868 1.00 15.00 C ATOM 984 NH1 ARG A 64 39.142 21.870 -33.834 1.00 3.51 N1+ ATOM 985 NH2 ARG A 64 39.069 22.358 -36.076 1.00 70.22 N ATOM 0 H ARG A 64 42.420 26.732 -29.555 1.00 62.12 H new ATOM 0 HA ARG A 64 40.250 25.414 -31.081 1.00 22.32 H new ATOM 0 HB2 ARG A 64 42.323 26.862 -32.087 1.00 54.44 H new ATOM 0 HB3 ARG A 64 43.067 25.277 -32.010 1.00 54.44 H new ATOM 0 HG2 ARG A 64 40.507 25.994 -33.480 1.00 13.01 H new ATOM 0 HG3 ARG A 64 42.065 25.655 -34.207 1.00 13.01 H new ATOM 0 HD2 ARG A 64 41.967 23.331 -33.266 1.00 42.55 H new ATOM 0 HD3 ARG A 64 40.378 23.681 -32.616 1.00 42.55 H new ATOM 0 HE ARG A 64 40.758 24.082 -35.532 1.00 31.25 H new ATOM 0 HH11 ARG A 64 39.520 22.044 -32.903 1.00 3.51 H new ATOM 0 HH12 ARG A 64 38.447 21.137 -33.973 1.00 3.51 H new ATOM 0 HH21 ARG A 64 39.389 22.906 -36.874 1.00 70.22 H new ATOM 0 HH22 ARG A 64 38.374 21.623 -36.208 1.00 70.22 H new ATOM 999 N PHE A 65 40.837 23.242 -30.030 1.00 1.01 N ATOM 1000 CA PHE A 65 41.135 21.944 -29.449 1.00 71.14 C ATOM 1001 C PHE A 65 41.598 20.943 -30.508 1.00 51.04 C ATOM 1002 O PHE A 65 40.863 20.612 -31.441 1.00 10.13 O ATOM 1003 CB PHE A 65 39.910 21.418 -28.683 1.00 12.02 C ATOM 1004 CG PHE A 65 38.585 21.708 -29.342 1.00 4.35 C ATOM 1005 CD1 PHE A 65 37.960 20.754 -30.126 1.00 23.21 C ATOM 1006 CD2 PHE A 65 37.962 22.935 -29.166 1.00 74.42 C ATOM 1007 CE1 PHE A 65 36.741 21.019 -30.722 1.00 40.23 C ATOM 1008 CE2 PHE A 65 36.746 23.204 -29.760 1.00 32.51 C ATOM 1009 CZ PHE A 65 36.134 22.244 -30.539 1.00 22.21 C ATOM 0 H PHE A 65 39.855 23.377 -30.270 1.00 1.01 H new ATOM 0 HA PHE A 65 41.960 22.066 -28.747 1.00 71.14 H new ATOM 0 HB2 PHE A 65 40.011 20.340 -28.559 1.00 12.02 H new ATOM 0 HB3 PHE A 65 39.907 21.855 -27.684 1.00 12.02 H new ATOM 0 HD1 PHE A 65 38.429 19.793 -30.274 1.00 23.21 H new ATOM 0 HD2 PHE A 65 38.435 23.690 -28.556 1.00 74.42 H new ATOM 0 HE1 PHE A 65 36.264 20.266 -31.332 1.00 40.23 H new ATOM 0 HE2 PHE A 65 36.274 24.165 -29.615 1.00 32.51 H new ATOM 0 HZ PHE A 65 35.182 22.451 -31.005 1.00 22.21 H new ATOM 1019 N LEU A 66 42.841 20.498 -30.372 1.00 3.44 N ATOM 1020 CA LEU A 66 43.396 19.455 -31.228 1.00 54.44 C ATOM 1021 C LEU A 66 43.669 18.204 -30.406 1.00 3.34 C ATOM 1022 O LEU A 66 44.109 18.297 -29.264 1.00 63.15 O ATOM 1023 CB LEU A 66 44.693 19.914 -31.908 1.00 43.35 C ATOM 1024 CG LEU A 66 44.535 20.933 -33.042 1.00 33.23 C ATOM 1025 CD1 LEU A 66 44.294 22.332 -32.496 1.00 0.12 C ATOM 1026 CD2 LEU A 66 45.760 20.917 -33.943 1.00 53.02 C ATOM 0 H LEU A 66 43.491 20.848 -29.668 1.00 3.44 H new ATOM 0 HA LEU A 66 42.664 19.237 -32.005 1.00 54.44 H new ATOM 0 HB2 LEU A 66 45.345 20.345 -31.148 1.00 43.35 H new ATOM 0 HB3 LEU A 66 45.202 19.036 -32.304 1.00 43.35 H new ATOM 0 HG LEU A 66 43.663 20.649 -33.631 1.00 33.23 H new ATOM 0 HD11 LEU A 66 44.186 23.032 -33.324 1.00 0.12 H new ATOM 0 HD12 LEU A 66 43.384 22.337 -31.896 1.00 0.12 H new ATOM 0 HD13 LEU A 66 45.139 22.631 -31.876 1.00 0.12 H new ATOM 0 HD21 LEU A 66 45.633 21.646 -34.743 1.00 53.02 H new ATOM 0 HD22 LEU A 66 46.645 21.170 -33.359 1.00 53.02 H new ATOM 0 HD23 LEU A 66 45.882 19.923 -34.374 1.00 53.02 H new ATOM 1038 N TYR A 67 43.426 17.040 -30.990 1.00 31.41 N ATOM 1039 CA TYR A 67 43.572 15.784 -30.273 1.00 20.11 C ATOM 1040 C TYR A 67 44.849 15.070 -30.694 1.00 74.01 C ATOM 1041 O TYR A 67 44.909 14.489 -31.776 1.00 2.22 O ATOM 1042 CB TYR A 67 42.368 14.881 -30.542 1.00 43.11 C ATOM 1043 CG TYR A 67 41.852 14.147 -29.324 1.00 44.31 C ATOM 1044 CD1 TYR A 67 40.854 14.704 -28.544 1.00 53.11 C ATOM 1045 CD2 TYR A 67 42.342 12.897 -28.968 1.00 43.34 C ATOM 1046 CE1 TYR A 67 40.351 14.045 -27.447 1.00 20.14 C ATOM 1047 CE2 TYR A 67 41.845 12.229 -27.862 1.00 70.41 C ATOM 1048 CZ TYR A 67 40.846 12.812 -27.108 1.00 13.14 C ATOM 1049 OH TYR A 67 40.334 12.160 -26.014 1.00 73.41 O ATOM 0 H TYR A 67 43.126 16.940 -31.960 1.00 31.41 H new ATOM 0 HA TYR A 67 43.627 16.004 -29.207 1.00 20.11 H new ATOM 0 HB2 TYR A 67 41.561 15.486 -30.955 1.00 43.11 H new ATOM 0 HB3 TYR A 67 42.641 14.150 -31.303 1.00 43.11 H new ATOM 0 HD1 TYR A 67 40.462 15.677 -28.802 1.00 53.11 H new ATOM 0 HD2 TYR A 67 43.120 12.441 -29.561 1.00 43.34 H new ATOM 0 HE1 TYR A 67 39.569 14.497 -26.855 1.00 20.14 H new ATOM 0 HE2 TYR A 67 42.236 11.259 -27.591 1.00 70.41 H new ATOM 0 HH TYR A 67 40.987 12.184 -25.284 1.00 73.41 H new ATOM 1059 N ASP A 68 45.863 15.151 -29.836 1.00 41.34 N ATOM 1060 CA ASP A 68 47.159 14.500 -30.060 1.00 70.30 C ATOM 1061 C ASP A 68 47.675 14.747 -31.482 1.00 63.40 C ATOM 1062 O ASP A 68 48.083 13.824 -32.187 1.00 15.11 O ATOM 1063 CB ASP A 68 47.059 12.997 -29.769 1.00 75.51 C ATOM 1064 CG ASP A 68 48.410 12.374 -29.465 1.00 2.14 C ATOM 1065 OD1 ASP A 68 49.179 12.972 -28.674 1.00 32.21 O ATOM 1066 OD2 ASP A 68 48.698 11.269 -29.975 1.00 31.41 O1- ATOM 0 H ASP A 68 45.812 15.672 -28.960 1.00 41.34 H new ATOM 0 HA ASP A 68 47.879 14.941 -29.371 1.00 70.30 H new ATOM 0 HB2 ASP A 68 46.390 12.837 -28.923 1.00 75.51 H new ATOM 0 HB3 ASP A 68 46.614 12.493 -30.627 1.00 75.51 H new ATOM 1071 N GLY A 69 47.661 16.009 -31.892 1.00 73.33 N ATOM 1072 CA GLY A 69 48.156 16.373 -33.203 1.00 31.22 C ATOM 1073 C GLY A 69 47.061 16.578 -34.238 1.00 61.52 C ATOM 1074 O GLY A 69 47.279 17.273 -35.231 1.00 60.14 O ATOM 0 H GLY A 69 47.313 16.790 -31.336 1.00 73.33 H new ATOM 0 HA2 GLY A 69 48.740 17.290 -33.119 1.00 31.22 H new ATOM 0 HA3 GLY A 69 48.834 15.595 -33.554 1.00 31.22 H new ATOM 1078 N ASP A 70 45.882 16.002 -34.022 1.00 53.11 N ATOM 1079 CA ASP A 70 44.789 16.164 -34.978 1.00 72.13 C ATOM 1080 C ASP A 70 43.524 16.676 -34.303 1.00 44.24 C ATOM 1081 O ASP A 70 42.998 16.053 -33.389 1.00 64.30 O ATOM 1082 CB ASP A 70 44.491 14.856 -35.712 1.00 12.43 C ATOM 1083 CG ASP A 70 43.422 15.038 -36.772 1.00 51.11 C ATOM 1084 OD1 ASP A 70 43.544 15.981 -37.586 1.00 0.21 O ATOM 1085 OD2 ASP A 70 42.465 14.240 -36.808 1.00 51.24 O1- ATOM 0 H ASP A 70 45.660 15.428 -33.208 1.00 53.11 H new ATOM 0 HA ASP A 70 45.116 16.906 -35.706 1.00 72.13 H new ATOM 0 HB2 ASP A 70 45.404 14.483 -36.176 1.00 12.43 H new ATOM 0 HB3 ASP A 70 44.167 14.102 -34.995 1.00 12.43 H new ATOM 1090 N ARG A 71 43.040 17.818 -34.775 1.00 22.42 N ATOM 1091 CA ARG A 71 41.857 18.467 -34.216 1.00 4.53 C ATOM 1092 C ARG A 71 40.632 17.554 -34.269 1.00 73.24 C ATOM 1093 O ARG A 71 40.433 16.808 -35.228 1.00 53.50 O ATOM 1094 CB ARG A 71 41.562 19.783 -34.954 1.00 35.54 C ATOM 1095 CG ARG A 71 41.192 19.626 -36.428 1.00 31.51 C ATOM 1096 CD ARG A 71 42.360 19.930 -37.362 1.00 31.40 C ATOM 1097 NE ARG A 71 43.327 18.834 -37.434 1.00 41.13 N ATOM 1098 CZ ARG A 71 44.647 19.004 -37.472 1.00 30.34 C ATOM 1099 NH1 ARG A 71 45.173 20.221 -37.422 1.00 31.45 N1+ ATOM 1100 NH2 ARG A 71 45.442 17.948 -37.572 1.00 61.14 N ATOM 0 H ARG A 71 43.456 18.323 -35.558 1.00 22.42 H new ATOM 0 HA ARG A 71 42.071 18.683 -33.169 1.00 4.53 H new ATOM 0 HB2 ARG A 71 40.747 20.294 -34.442 1.00 35.54 H new ATOM 0 HB3 ARG A 71 42.438 20.428 -34.881 1.00 35.54 H new ATOM 0 HG2 ARG A 71 40.845 18.608 -36.605 1.00 31.51 H new ATOM 0 HG3 ARG A 71 40.361 20.291 -36.663 1.00 31.51 H new ATOM 0 HD2 ARG A 71 41.976 20.137 -38.361 1.00 31.40 H new ATOM 0 HD3 ARG A 71 42.866 20.833 -37.022 1.00 31.40 H new ATOM 0 HE ARG A 71 42.967 17.880 -37.456 1.00 41.13 H new ATOM 0 HH11 ARG A 71 44.565 21.037 -37.354 1.00 31.45 H new ATOM 0 HH12 ARG A 71 46.186 20.341 -37.452 1.00 31.45 H new ATOM 0 HH21 ARG A 71 45.042 17.011 -37.619 1.00 61.14 H new ATOM 0 HH22 ARG A 71 46.454 18.072 -37.602 1.00 61.14 H new ATOM 1114 N ILE A 72 39.806 17.641 -33.237 1.00 75.30 N ATOM 1115 CA ILE A 72 38.673 16.738 -33.074 1.00 23.12 C ATOM 1116 C ILE A 72 37.426 17.530 -32.668 1.00 21.23 C ATOM 1117 O ILE A 72 37.477 18.756 -32.568 1.00 74.34 O ATOM 1118 CB ILE A 72 39.000 15.677 -31.994 1.00 62.51 C ATOM 1119 CG1 ILE A 72 38.058 14.470 -32.093 1.00 50.23 C ATOM 1120 CG2 ILE A 72 38.932 16.304 -30.605 1.00 14.53 C ATOM 1121 CD1 ILE A 72 38.377 13.373 -31.102 1.00 62.02 C ATOM 0 H ILE A 72 39.899 18.333 -32.494 1.00 75.30 H new ATOM 0 HA ILE A 72 38.479 16.235 -34.021 1.00 23.12 H new ATOM 0 HB ILE A 72 40.014 15.316 -32.167 1.00 62.51 H new ATOM 0 HG12 ILE A 72 37.033 14.805 -31.934 1.00 50.23 H new ATOM 0 HG13 ILE A 72 38.108 14.062 -33.103 1.00 50.23 H new ATOM 0 HG21 ILE A 72 39.164 15.549 -29.853 1.00 14.53 H new ATOM 0 HG22 ILE A 72 39.655 17.117 -30.537 1.00 14.53 H new ATOM 0 HG23 ILE A 72 37.929 16.694 -30.431 1.00 14.53 H new ATOM 0 HD11 ILE A 72 37.672 12.552 -31.229 1.00 62.02 H new ATOM 0 HD12 ILE A 72 39.390 13.011 -31.274 1.00 62.02 H new ATOM 0 HD13 ILE A 72 38.299 13.765 -30.088 1.00 62.02 H new ATOM 1133 N HIS A 73 36.313 16.838 -32.454 1.00 53.04 N ATOM 1134 CA HIS A 73 35.108 17.466 -31.927 1.00 43.03 C ATOM 1135 C HIS A 73 34.847 16.956 -30.514 1.00 24.44 C ATOM 1136 O HIS A 73 35.155 15.805 -30.198 1.00 15.32 O ATOM 1137 CB HIS A 73 33.901 17.188 -32.829 1.00 55.44 C ATOM 1138 CG HIS A 73 34.035 17.774 -34.201 1.00 52.52 C ATOM 1139 ND1 HIS A 73 33.805 19.104 -34.483 1.00 23.24 N ATOM 1140 CD2 HIS A 73 34.384 17.201 -35.376 1.00 42.44 C ATOM 1141 CE1 HIS A 73 34.010 19.320 -35.768 1.00 61.52 C ATOM 1142 NE2 HIS A 73 34.363 18.182 -36.334 1.00 53.34 N ATOM 0 H HIS A 73 36.220 15.839 -32.638 1.00 53.04 H new ATOM 0 HA HIS A 73 35.259 18.545 -31.900 1.00 43.03 H new ATOM 0 HB2 HIS A 73 33.761 16.110 -32.915 1.00 55.44 H new ATOM 0 HB3 HIS A 73 33.004 17.589 -32.357 1.00 55.44 H new ATOM 0 HD2 HIS A 73 34.633 16.162 -35.531 1.00 42.44 H new ATOM 0 HE1 HIS A 73 33.906 20.269 -36.272 1.00 61.52 H new ATOM 0 HE2 HIS A 73 34.584 18.053 -37.321 1.00 53.34 H new ATOM 1151 N GLY A 74 34.266 17.805 -29.677 1.00 2.32 N ATOM 1152 CA GLY A 74 34.140 17.507 -28.259 1.00 30.33 C ATOM 1153 C GLY A 74 33.176 16.374 -27.941 1.00 45.23 C ATOM 1154 O GLY A 74 33.207 15.821 -26.844 1.00 50.31 O ATOM 0 H GLY A 74 33.875 18.705 -29.956 1.00 2.32 H new ATOM 0 HA2 GLY A 74 35.124 17.253 -27.864 1.00 30.33 H new ATOM 0 HA3 GLY A 74 33.810 18.406 -27.739 1.00 30.33 H new ATOM 1158 N ASP A 75 32.321 16.023 -28.885 1.00 32.14 N ATOM 1159 CA ASP A 75 31.318 14.988 -28.642 1.00 72.23 C ATOM 1160 C ASP A 75 31.834 13.605 -29.046 1.00 10.20 C ATOM 1161 O ASP A 75 31.181 12.593 -28.806 1.00 3.33 O ATOM 1162 CB ASP A 75 30.030 15.321 -29.403 1.00 71.41 C ATOM 1163 CG ASP A 75 28.901 14.350 -29.107 1.00 34.44 C ATOM 1164 OD1 ASP A 75 28.519 13.582 -30.012 1.00 15.34 O ATOM 1165 OD2 ASP A 75 28.389 14.351 -27.967 1.00 4.31 O1- ATOM 0 H ASP A 75 32.296 16.431 -29.819 1.00 32.14 H new ATOM 0 HA ASP A 75 31.107 14.963 -27.573 1.00 72.23 H new ATOM 0 HB2 ASP A 75 29.711 16.331 -29.144 1.00 71.41 H new ATOM 0 HB3 ASP A 75 30.235 15.317 -30.474 1.00 71.41 H new ATOM 1170 N ASN A 76 33.026 13.562 -29.628 1.00 64.25 N ATOM 1171 CA ASN A 76 33.560 12.311 -30.163 1.00 64.43 C ATOM 1172 C ASN A 76 33.976 11.349 -29.051 1.00 13.52 C ATOM 1173 O ASN A 76 33.666 10.168 -29.122 1.00 71.25 O ATOM 1174 CB ASN A 76 34.740 12.595 -31.097 1.00 33.10 C ATOM 1175 CG ASN A 76 35.238 11.348 -31.803 1.00 40.10 C ATOM 1176 OD1 ASN A 76 36.193 10.709 -31.370 1.00 32.24 O ATOM 1177 ND2 ASN A 76 34.578 10.986 -32.890 1.00 30.14 N ATOM 0 H ASN A 76 33.638 14.370 -29.742 1.00 64.25 H new ATOM 0 HA ASN A 76 32.765 11.828 -30.731 1.00 64.43 H new ATOM 0 HB2 ASN A 76 34.441 13.334 -31.840 1.00 33.10 H new ATOM 0 HB3 ASN A 76 35.556 13.033 -30.523 1.00 33.10 H new ATOM 0 HD21 ASN A 76 34.857 10.149 -33.401 1.00 30.14 H new ATOM 0 HD22 ASN A 76 33.790 11.544 -33.217 1.00 30.14 H new ATOM 1184 N THR A 77 34.645 11.887 -28.023 1.00 21.44 N ATOM 1185 CA THR A 77 35.187 11.123 -26.877 1.00 65.40 C ATOM 1186 C THR A 77 36.342 10.196 -27.292 1.00 53.35 C ATOM 1187 O THR A 77 36.377 9.688 -28.411 1.00 42.51 O ATOM 1188 CB THR A 77 34.107 10.325 -26.086 1.00 70.12 C ATOM 1189 OG1 THR A 77 33.617 9.208 -26.831 1.00 4.33 O ATOM 1190 CG2 THR A 77 32.946 11.228 -25.702 1.00 65.33 C ATOM 0 H THR A 77 34.832 12.888 -27.958 1.00 21.44 H new ATOM 0 HA THR A 77 35.577 11.881 -26.198 1.00 65.40 H new ATOM 0 HB THR A 77 34.588 9.948 -25.184 1.00 70.12 H new ATOM 0 HG1 THR A 77 33.896 9.291 -27.767 1.00 4.33 H new ATOM 0 HG21 THR A 77 32.203 10.651 -25.151 1.00 65.33 H new ATOM 0 HG22 THR A 77 33.310 12.043 -25.076 1.00 65.33 H new ATOM 0 HG23 THR A 77 32.491 11.638 -26.603 1.00 65.33 H new ATOM 1198 N PRO A 78 37.310 9.973 -26.380 1.00 63.14 N ATOM 1199 CA PRO A 78 38.543 9.221 -26.679 1.00 44.41 C ATOM 1200 C PRO A 78 38.291 7.773 -27.095 1.00 73.22 C ATOM 1201 O PRO A 78 38.830 7.297 -28.100 1.00 62.52 O ATOM 1202 CB PRO A 78 39.319 9.257 -25.357 1.00 13.24 C ATOM 1203 CG PRO A 78 38.307 9.574 -24.313 1.00 24.53 C ATOM 1204 CD PRO A 78 37.287 10.442 -24.984 1.00 62.11 C ATOM 0 HA PRO A 78 39.071 9.663 -27.524 1.00 44.41 H new ATOM 0 HB2 PRO A 78 39.802 8.300 -25.159 1.00 13.24 H new ATOM 0 HB3 PRO A 78 40.106 10.011 -25.384 1.00 13.24 H new ATOM 0 HG2 PRO A 78 37.850 8.665 -23.922 1.00 24.53 H new ATOM 0 HG3 PRO A 78 38.765 10.089 -23.469 1.00 24.53 H new ATOM 0 HD2 PRO A 78 36.300 10.324 -24.536 1.00 62.11 H new ATOM 0 HD3 PRO A 78 37.546 11.498 -24.910 1.00 62.11 H new ATOM 1212 N GLU A 79 37.453 7.080 -26.328 1.00 53.55 N ATOM 1213 CA GLU A 79 37.196 5.659 -26.545 1.00 13.34 C ATOM 1214 C GLU A 79 36.620 5.399 -27.936 1.00 42.02 C ATOM 1215 O GLU A 79 36.777 4.309 -28.488 1.00 71.44 O ATOM 1216 CB GLU A 79 36.257 5.128 -25.456 1.00 73.21 C ATOM 1217 CG GLU A 79 34.920 5.846 -25.392 1.00 74.52 C ATOM 1218 CD GLU A 79 34.221 5.655 -24.061 1.00 5.43 C ATOM 1219 OE1 GLU A 79 33.685 4.556 -23.806 1.00 63.15 O ATOM 1220 OE2 GLU A 79 34.202 6.614 -23.259 1.00 62.13 O1- ATOM 0 H GLU A 79 36.937 7.483 -25.546 1.00 53.55 H new ATOM 0 HA GLU A 79 38.145 5.126 -26.485 1.00 13.34 H new ATOM 0 HB2 GLU A 79 36.080 4.066 -25.629 1.00 73.21 H new ATOM 0 HB3 GLU A 79 36.752 5.216 -24.489 1.00 73.21 H new ATOM 0 HG2 GLU A 79 35.074 6.911 -25.568 1.00 74.52 H new ATOM 0 HG3 GLU A 79 34.276 5.481 -26.192 1.00 74.52 H new ATOM 1227 N GLN A 80 35.990 6.422 -28.505 1.00 45.33 N ATOM 1228 CA GLN A 80 35.416 6.340 -29.842 1.00 74.25 C ATOM 1229 C GLN A 80 36.487 5.999 -30.871 1.00 73.11 C ATOM 1230 O GLN A 80 36.252 5.215 -31.790 1.00 61.03 O ATOM 1231 CB GLN A 80 34.782 7.676 -30.214 1.00 42.54 C ATOM 1232 CG GLN A 80 33.994 7.657 -31.511 1.00 40.33 C ATOM 1233 CD GLN A 80 32.597 7.104 -31.333 1.00 61.53 C ATOM 1234 OE1 GLN A 80 32.366 5.903 -31.457 1.00 12.31 O ATOM 1235 NE2 GLN A 80 31.652 7.985 -31.036 1.00 14.43 N ATOM 0 H GLN A 80 35.864 7.328 -28.053 1.00 45.33 H new ATOM 0 HA GLN A 80 34.661 5.554 -29.840 1.00 74.25 H new ATOM 0 HB2 GLN A 80 34.120 7.988 -29.406 1.00 42.54 H new ATOM 0 HB3 GLN A 80 35.567 8.428 -30.291 1.00 42.54 H new ATOM 0 HG2 GLN A 80 33.932 8.670 -31.910 1.00 40.33 H new ATOM 0 HG3 GLN A 80 34.528 7.057 -32.248 1.00 40.33 H new ATOM 0 HE21 GLN A 80 31.887 8.973 -30.942 1.00 14.43 H new ATOM 0 HE22 GLN A 80 30.690 7.675 -30.901 1.00 14.43 H new ATOM 1244 N LEU A 81 37.665 6.590 -30.710 1.00 2.24 N ATOM 1245 CA LEU A 81 38.739 6.410 -31.676 1.00 73.11 C ATOM 1246 C LEU A 81 39.628 5.241 -31.285 1.00 31.23 C ATOM 1247 O LEU A 81 40.149 4.534 -32.146 1.00 13.32 O ATOM 1248 CB LEU A 81 39.586 7.682 -31.774 1.00 12.23 C ATOM 1249 CG LEU A 81 38.837 8.937 -32.219 1.00 34.10 C ATOM 1250 CD1 LEU A 81 39.763 10.142 -32.196 1.00 12.24 C ATOM 1251 CD2 LEU A 81 38.246 8.746 -33.608 1.00 63.31 C ATOM 0 H LEU A 81 37.899 7.195 -29.923 1.00 2.24 H new ATOM 0 HA LEU A 81 38.286 6.201 -32.645 1.00 73.11 H new ATOM 0 HB2 LEU A 81 40.036 7.874 -30.800 1.00 12.23 H new ATOM 0 HB3 LEU A 81 40.403 7.501 -32.472 1.00 12.23 H new ATOM 0 HG LEU A 81 38.019 9.114 -31.521 1.00 34.10 H new ATOM 0 HD11 LEU A 81 39.215 11.028 -32.516 1.00 12.24 H new ATOM 0 HD12 LEU A 81 40.139 10.293 -31.184 1.00 12.24 H new ATOM 0 HD13 LEU A 81 40.601 9.970 -32.872 1.00 12.24 H new ATOM 0 HD21 LEU A 81 37.717 9.651 -33.906 1.00 63.31 H new ATOM 0 HD22 LEU A 81 39.047 8.543 -34.319 1.00 63.31 H new ATOM 0 HD23 LEU A 81 37.551 7.907 -33.595 1.00 63.31 H new ATOM 1263 N GLY A 82 39.764 5.019 -29.986 1.00 62.20 N ATOM 1264 CA GLY A 82 40.605 3.946 -29.505 1.00 2.54 C ATOM 1265 C GLY A 82 41.780 4.467 -28.711 1.00 50.45 C ATOM 1266 O GLY A 82 42.382 3.736 -27.924 1.00 62.11 O ATOM 0 H GLY A 82 39.305 5.565 -29.256 1.00 62.20 H new ATOM 0 HA2 GLY A 82 40.015 3.273 -28.882 1.00 2.54 H new ATOM 0 HA3 GLY A 82 40.968 3.362 -30.351 1.00 2.54 H new ATOM 1270 N ILE A 83 42.097 5.737 -28.913 1.00 21.12 N ATOM 1271 CA ILE A 83 43.072 6.413 -28.077 1.00 62.23 C ATOM 1272 C ILE A 83 42.415 6.734 -26.739 1.00 53.32 C ATOM 1273 O ILE A 83 41.433 7.466 -26.678 1.00 34.30 O ATOM 1274 CB ILE A 83 43.626 7.693 -28.755 1.00 12.34 C ATOM 1275 CG1 ILE A 83 44.573 8.440 -27.809 1.00 11.32 C ATOM 1276 CG2 ILE A 83 42.496 8.600 -29.225 1.00 63.43 C ATOM 1277 CD1 ILE A 83 45.231 9.653 -28.434 1.00 21.45 C ATOM 0 H ILE A 83 41.693 6.318 -29.648 1.00 21.12 H new ATOM 0 HA ILE A 83 43.929 5.758 -27.921 1.00 62.23 H new ATOM 0 HB ILE A 83 44.194 7.389 -29.635 1.00 12.34 H new ATOM 0 HG12 ILE A 83 44.016 8.755 -26.927 1.00 11.32 H new ATOM 0 HG13 ILE A 83 45.348 7.753 -27.469 1.00 11.32 H new ATOM 0 HG21 ILE A 83 42.915 9.489 -29.696 1.00 63.43 H new ATOM 0 HG22 ILE A 83 41.876 8.066 -29.945 1.00 63.43 H new ATOM 0 HG23 ILE A 83 41.887 8.895 -28.371 1.00 63.43 H new ATOM 0 HD11 ILE A 83 45.886 10.128 -27.704 1.00 21.45 H new ATOM 0 HD12 ILE A 83 45.817 9.344 -29.300 1.00 21.45 H new ATOM 0 HD13 ILE A 83 44.464 10.361 -28.749 1.00 21.45 H new ATOM 1289 N GLU A 84 42.928 6.147 -25.678 1.00 64.03 N ATOM 1290 CA GLU A 84 42.244 6.188 -24.400 1.00 52.21 C ATOM 1291 C GLU A 84 43.207 6.606 -23.286 1.00 4.41 C ATOM 1292 O GLU A 84 44.362 6.928 -23.572 1.00 32.15 O ATOM 1293 CB GLU A 84 41.644 4.802 -24.123 1.00 52.31 C ATOM 1294 CG GLU A 84 40.511 4.793 -23.110 1.00 42.14 C ATOM 1295 CD GLU A 84 40.229 3.407 -22.564 1.00 24.00 C ATOM 1296 OE1 GLU A 84 40.996 2.949 -21.689 1.00 30.13 O ATOM 1297 OE2 GLU A 84 39.243 2.773 -22.999 1.00 13.42 O1- ATOM 0 H GLU A 84 43.812 5.638 -25.673 1.00 64.03 H new ATOM 0 HA GLU A 84 41.445 6.929 -24.430 1.00 52.21 H new ATOM 0 HB2 GLU A 84 41.278 4.385 -25.061 1.00 52.31 H new ATOM 0 HB3 GLU A 84 42.436 4.142 -23.768 1.00 52.31 H new ATOM 0 HG2 GLU A 84 40.760 5.461 -22.285 1.00 42.14 H new ATOM 0 HG3 GLU A 84 39.608 5.186 -23.577 1.00 42.14 H new ATOM 1304 N ASP A 85 42.698 6.564 -22.039 1.00 34.14 N ATOM 1305 CA ASP A 85 43.405 6.965 -20.802 1.00 62.20 C ATOM 1306 C ASP A 85 44.865 7.353 -21.005 1.00 24.11 C ATOM 1307 O ASP A 85 45.719 6.511 -21.301 1.00 63.13 O ATOM 1308 CB ASP A 85 43.318 5.827 -19.781 1.00 41.01 C ATOM 1309 CG ASP A 85 44.128 6.094 -18.525 1.00 33.33 C ATOM 1310 OD1 ASP A 85 45.185 5.445 -18.342 1.00 0.20 O ATOM 1311 OD2 ASP A 85 43.711 6.936 -17.712 1.00 54.52 O1- ATOM 0 H ASP A 85 41.749 6.238 -21.857 1.00 34.14 H new ATOM 0 HA ASP A 85 42.904 7.864 -20.444 1.00 62.20 H new ATOM 0 HB2 ASP A 85 42.275 5.671 -19.507 1.00 41.01 H new ATOM 0 HB3 ASP A 85 43.668 4.904 -20.243 1.00 41.01 H new ATOM 1316 N GLY A 86 45.147 8.631 -20.819 1.00 32.23 N ATOM 1317 CA GLY A 86 46.490 9.129 -21.009 1.00 42.34 C ATOM 1318 C GLY A 86 46.601 9.965 -22.262 1.00 60.32 C ATOM 1319 O GLY A 86 47.690 10.402 -22.635 1.00 42.55 O ATOM 0 H GLY A 86 44.465 9.336 -20.538 1.00 32.23 H new ATOM 0 HA2 GLY A 86 46.783 9.726 -20.145 1.00 42.34 H new ATOM 0 HA3 GLY A 86 47.185 8.291 -21.067 1.00 42.34 H new ATOM 1323 N ASP A 87 45.471 10.174 -22.919 1.00 21.12 N ATOM 1324 CA ASP A 87 45.423 10.956 -24.148 1.00 23.23 C ATOM 1325 C ASP A 87 45.440 12.451 -23.834 1.00 62.04 C ATOM 1326 O ASP A 87 45.262 12.856 -22.681 1.00 50.43 O ATOM 1327 CB ASP A 87 44.183 10.590 -24.961 1.00 41.43 C ATOM 1328 CG ASP A 87 42.900 10.830 -24.196 1.00 70.52 C ATOM 1329 OD1 ASP A 87 42.506 9.945 -23.408 1.00 13.22 O ATOM 1330 OD2 ASP A 87 42.290 11.899 -24.385 1.00 3.13 O1- ATOM 0 H ASP A 87 44.566 9.810 -22.620 1.00 21.12 H new ATOM 0 HA ASP A 87 46.307 10.723 -24.742 1.00 23.23 H new ATOM 0 HB2 ASP A 87 44.169 11.175 -25.881 1.00 41.43 H new ATOM 0 HB3 ASP A 87 44.239 9.541 -25.251 1.00 41.43 H new ATOM 1335 N VAL A 88 45.665 13.273 -24.854 1.00 40.21 N ATOM 1336 CA VAL A 88 45.835 14.703 -24.641 1.00 30.05 C ATOM 1337 C VAL A 88 45.089 15.534 -25.686 1.00 62.31 C ATOM 1338 O VAL A 88 44.854 15.093 -26.814 1.00 44.01 O ATOM 1339 CB VAL A 88 47.328 15.111 -24.650 1.00 1.54 C ATOM 1340 CG1 VAL A 88 48.114 14.329 -23.609 1.00 21.12 C ATOM 1341 CG2 VAL A 88 47.933 14.919 -26.030 1.00 55.10 C ATOM 0 H VAL A 88 45.733 12.976 -25.827 1.00 40.21 H new ATOM 0 HA VAL A 88 45.411 14.909 -23.658 1.00 30.05 H new ATOM 0 HB VAL A 88 47.386 16.169 -24.395 1.00 1.54 H new ATOM 0 HG11 VAL A 88 49.160 14.635 -23.637 1.00 21.12 H new ATOM 0 HG12 VAL A 88 47.704 14.528 -22.619 1.00 21.12 H new ATOM 0 HG13 VAL A 88 48.042 13.263 -23.824 1.00 21.12 H new ATOM 0 HG21 VAL A 88 48.983 15.212 -26.011 1.00 55.10 H new ATOM 0 HG22 VAL A 88 47.854 13.871 -26.319 1.00 55.10 H new ATOM 0 HG23 VAL A 88 47.397 15.536 -26.751 1.00 55.10 H new ATOM 1351 N ILE A 89 44.734 16.743 -25.285 1.00 14.43 N ATOM 1352 CA ILE A 89 44.074 17.710 -26.145 1.00 51.25 C ATOM 1353 C ILE A 89 44.823 19.027 -26.050 1.00 71.31 C ATOM 1354 O ILE A 89 45.060 19.524 -24.957 1.00 41.13 O ATOM 1355 CB ILE A 89 42.606 17.950 -25.721 1.00 64.41 C ATOM 1356 CG1 ILE A 89 41.843 16.628 -25.618 1.00 0.23 C ATOM 1357 CG2 ILE A 89 41.915 18.880 -26.706 1.00 64.41 C ATOM 1358 CD1 ILE A 89 40.424 16.780 -25.102 1.00 62.23 C ATOM 0 H ILE A 89 44.899 17.085 -24.338 1.00 14.43 H new ATOM 0 HA ILE A 89 44.076 17.319 -27.162 1.00 51.25 H new ATOM 0 HB ILE A 89 42.611 18.419 -24.737 1.00 64.41 H new ATOM 0 HG12 ILE A 89 41.814 16.158 -26.601 1.00 0.23 H new ATOM 0 HG13 ILE A 89 42.390 15.954 -24.958 1.00 0.23 H new ATOM 0 HG21 ILE A 89 40.883 19.039 -26.394 1.00 64.41 H new ATOM 0 HG22 ILE A 89 42.438 19.836 -26.732 1.00 64.41 H new ATOM 0 HG23 ILE A 89 41.928 18.432 -27.700 1.00 64.41 H new ATOM 0 HD11 ILE A 89 39.947 15.801 -25.056 1.00 62.23 H new ATOM 0 HD12 ILE A 89 40.445 17.220 -24.105 1.00 62.23 H new ATOM 0 HD13 ILE A 89 39.860 17.428 -25.773 1.00 62.23 H new ATOM 1370 N ASP A 90 45.202 19.585 -27.180 1.00 34.30 N ATOM 1371 CA ASP A 90 45.947 20.835 -27.193 1.00 21.13 C ATOM 1372 C ASP A 90 45.025 21.997 -27.498 1.00 54.30 C ATOM 1373 O ASP A 90 44.164 21.897 -28.374 1.00 1.13 O ATOM 1374 CB ASP A 90 47.075 20.784 -28.221 1.00 33.21 C ATOM 1375 CG ASP A 90 47.825 22.098 -28.318 1.00 41.43 C ATOM 1376 OD1 ASP A 90 47.939 22.645 -29.435 1.00 53.43 O ATOM 1377 OD2 ASP A 90 48.302 22.589 -27.280 1.00 21.31 O1- ATOM 0 H ASP A 90 45.009 19.197 -28.103 1.00 34.30 H new ATOM 0 HA ASP A 90 46.383 20.978 -26.204 1.00 21.13 H new ATOM 0 HB2 ASP A 90 47.772 19.989 -27.954 1.00 33.21 H new ATOM 0 HB3 ASP A 90 46.662 20.531 -29.198 1.00 33.21 H new ATOM 1382 N ALA A 91 45.189 23.085 -26.767 1.00 30.14 N ATOM 1383 CA ALA A 91 44.400 24.278 -27.006 1.00 22.54 C ATOM 1384 C ALA A 91 45.248 25.369 -27.650 1.00 62.41 C ATOM 1385 O ALA A 91 46.226 25.839 -27.068 1.00 34.40 O ATOM 1386 CB ALA A 91 43.784 24.777 -25.708 1.00 33.33 C ATOM 0 H ALA A 91 45.861 23.166 -26.004 1.00 30.14 H new ATOM 0 HA ALA A 91 43.595 24.022 -27.695 1.00 22.54 H new ATOM 0 HB1 ALA A 91 43.195 25.673 -25.905 1.00 33.33 H new ATOM 0 HB2 ALA A 91 43.139 24.004 -25.290 1.00 33.33 H new ATOM 0 HB3 ALA A 91 44.576 25.013 -24.997 1.00 33.33 H new ATOM 1392 N MET A 92 44.868 25.754 -28.858 1.00 14.35 N ATOM 1393 CA MET A 92 45.500 26.870 -29.555 1.00 13.21 C ATOM 1394 C MET A 92 44.646 28.118 -29.392 1.00 25.02 C ATOM 1395 O MET A 92 43.527 28.034 -28.896 1.00 71.52 O ATOM 1396 CB MET A 92 45.684 26.550 -31.041 1.00 64.53 C ATOM 1397 CG MET A 92 46.629 25.388 -31.307 1.00 30.25 C ATOM 1398 SD MET A 92 46.868 25.083 -33.069 1.00 45.45 S ATOM 1399 CE MET A 92 47.546 26.657 -33.597 1.00 51.31 C ATOM 0 H MET A 92 44.117 25.306 -29.383 1.00 14.35 H new ATOM 0 HA MET A 92 46.485 27.042 -29.120 1.00 13.21 H new ATOM 0 HB2 MET A 92 44.711 26.322 -31.477 1.00 64.53 H new ATOM 0 HB3 MET A 92 46.062 27.437 -31.550 1.00 64.53 H new ATOM 0 HG2 MET A 92 47.593 25.594 -30.843 1.00 30.25 H new ATOM 0 HG3 MET A 92 46.235 24.488 -30.836 1.00 30.25 H new ATOM 0 HE1 MET A 92 48.098 26.522 -34.527 1.00 51.31 H new ATOM 0 HE2 MET A 92 46.735 27.367 -33.757 1.00 51.31 H new ATOM 0 HE3 MET A 92 48.218 27.040 -32.829 1.00 51.31 H new ATOM 1409 N VAL A 93 45.162 29.272 -29.791 1.00 70.32 N ATOM 1410 CA VAL A 93 44.416 30.519 -29.647 1.00 3.20 C ATOM 1411 C VAL A 93 43.290 30.611 -30.675 1.00 75.10 C ATOM 1412 O VAL A 93 43.533 30.854 -31.860 1.00 71.31 O ATOM 1413 CB VAL A 93 45.321 31.760 -29.773 1.00 52.22 C ATOM 1414 CG1 VAL A 93 44.522 33.026 -29.492 1.00 3.43 C ATOM 1415 CG2 VAL A 93 46.513 31.653 -28.834 1.00 10.04 C ATOM 0 H VAL A 93 46.085 29.373 -30.213 1.00 70.32 H new ATOM 0 HA VAL A 93 43.991 30.505 -28.643 1.00 3.20 H new ATOM 0 HB VAL A 93 45.700 31.811 -30.794 1.00 52.22 H new ATOM 0 HG11 VAL A 93 45.173 33.895 -29.584 1.00 3.43 H new ATOM 0 HG12 VAL A 93 43.705 33.107 -30.209 1.00 3.43 H new ATOM 0 HG13 VAL A 93 44.115 32.983 -28.482 1.00 3.43 H new ATOM 0 HG21 VAL A 93 47.139 32.539 -28.939 1.00 10.04 H new ATOM 0 HG22 VAL A 93 46.160 31.577 -27.805 1.00 10.04 H new ATOM 0 HG23 VAL A 93 47.095 30.766 -29.084 1.00 10.04 H new ATOM 1425 N GLN A 94 42.066 30.401 -30.192 1.00 13.31 N ATOM 1426 CA GLN A 94 40.838 30.474 -30.993 1.00 14.42 C ATOM 1427 C GLN A 94 40.843 29.456 -32.129 1.00 61.22 C ATOM 1428 O GLN A 94 41.816 28.732 -32.328 1.00 71.22 O ATOM 1429 CB GLN A 94 40.611 31.890 -31.525 1.00 11.34 C ATOM 1430 CG GLN A 94 40.519 32.947 -30.435 1.00 20.20 C ATOM 1431 CD GLN A 94 40.270 34.334 -30.986 1.00 32.33 C ATOM 1432 OE1 GLN A 94 40.667 34.647 -32.107 1.00 74.30 O ATOM 1433 NE2 GLN A 94 39.637 35.185 -30.195 1.00 24.31 N ATOM 0 H GLN A 94 41.894 30.170 -29.213 1.00 13.31 H new ATOM 0 HA GLN A 94 40.006 30.223 -30.335 1.00 14.42 H new ATOM 0 HB2 GLN A 94 41.425 32.149 -32.202 1.00 11.34 H new ATOM 0 HB3 GLN A 94 39.692 31.905 -32.111 1.00 11.34 H new ATOM 0 HG2 GLN A 94 39.716 32.684 -29.747 1.00 20.20 H new ATOM 0 HG3 GLN A 94 41.444 32.950 -29.859 1.00 20.20 H new ATOM 0 HE21 GLN A 94 39.323 34.886 -29.272 1.00 24.31 H new ATOM 0 HE22 GLN A 94 39.463 36.140 -30.509 1.00 24.31 H new