USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 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 125 GLN : amide:sc= -14.3! C(o=-24!,f=-6.9!) USER MOD Set 1.2: A 126 ASN : amide:sc= -9.68! K(o=-24!,f=-6.9) USER MOD Set 2.1: A 102 HIS : no HE2:sc= -3! C(o=-4.6!,f=-10!) USER MOD Set 2.2: A 107 GLN : amide:sc= -1.24 K(o=-4.6,f=-3.4) USER MOD Set 2.3: A 127 TYR OH : rot 0:sc= -0.389 USER MOD Set 3.1: A 88 SER OG : rot -44:sc= 0.722 USER MOD Set 3.2: A 89 HIS : no HE2:sc= -1.92 K(o=-1.2,f=-4.8!) USER MOD Single : A 79 MET CE :methyl -176:sc= 0 (180deg=-0.00746) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.85! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -154:sc= -0.348 (180deg=-1.48!) USER MOD Single : A 92 LYS NZ :NH3+ -161:sc= -1.95! (180deg=-2.87!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0.438 USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.0991 X(o=-0.099,f=-0.11) USER MOD Single : A 117 THR OG1 : rot -8:sc= 0.089 USER MOD Single : A 118 GLN : amide:sc= -24.8! C(o=-25!,f=-19!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= 0.0652 USER MOD Single : A 142 CYS SG : rot 46:sc= -1.12 USER MOD Single : A 143 TYR OH : rot -81:sc= 1.26 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 187 SER OG : rot -78:sc= 1.26 USER MOD Single : A 192 HIS : no HD1:sc= -5.33! C(o=-5.3!,f=-5.7!) USER MOD Single : A 193 HIS : no HD1:sc= -0.154 K(o=-0.15,f=-0.76) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 19.166 -0.464 -8.759 1.00 1.04 N ATOM 275 CA VAL A 74 20.348 -1.087 -8.093 1.00 0.93 C ATOM 276 C VAL A 74 20.254 -2.599 -8.320 1.00 0.86 C ATOM 277 O VAL A 74 19.176 -3.111 -8.545 1.00 0.89 O ATOM 278 CB VAL A 74 20.292 -0.790 -6.584 1.00 1.09 C ATOM 279 CG1 VAL A 74 20.822 0.618 -6.304 1.00 1.17 C ATOM 280 CG2 VAL A 74 18.842 -0.885 -6.111 1.00 1.38 C ATOM 0 HA VAL A 74 21.280 -0.692 -8.498 1.00 0.93 H new ATOM 0 HB VAL A 74 20.909 -1.514 -6.052 1.00 1.09 H new ATOM 0 HG11 VAL A 74 20.778 0.817 -5.233 1.00 1.17 H new ATOM 0 HG12 VAL A 74 21.855 0.692 -6.644 1.00 1.17 H new ATOM 0 HG13 VAL A 74 20.212 1.349 -6.835 1.00 1.17 H new ATOM 0 HG21 VAL A 74 18.793 -0.676 -5.042 1.00 1.38 H new ATOM 0 HG22 VAL A 74 18.235 -0.158 -6.651 1.00 1.38 H new ATOM 0 HG23 VAL A 74 18.462 -1.889 -6.302 1.00 1.38 H new ATOM 290 N PRO A 75 21.353 -3.317 -8.267 1.00 0.93 N ATOM 291 CA PRO A 75 21.341 -4.793 -8.473 1.00 1.00 C ATOM 292 C PRO A 75 20.079 -5.433 -7.881 1.00 0.88 C ATOM 293 O PRO A 75 19.783 -5.287 -6.713 1.00 0.84 O ATOM 294 CB PRO A 75 22.602 -5.245 -7.745 1.00 1.18 C ATOM 295 CG PRO A 75 23.566 -4.113 -7.940 1.00 1.37 C ATOM 296 CD PRO A 75 22.721 -2.825 -8.009 1.00 1.13 C ATOM 0 HA PRO A 75 21.328 -5.083 -9.524 1.00 1.00 H new ATOM 0 HB2 PRO A 75 22.408 -5.425 -6.688 1.00 1.18 H new ATOM 0 HB3 PRO A 75 22.990 -6.175 -8.161 1.00 1.18 H new ATOM 0 HG2 PRO A 75 24.280 -4.065 -7.117 1.00 1.37 H new ATOM 0 HG3 PRO A 75 24.143 -4.248 -8.855 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.775 -2.261 -7.078 1.00 1.13 H new ATOM 0 HD3 PRO A 75 23.065 -2.163 -8.803 1.00 1.13 H new ATOM 304 N LEU A 76 19.316 -6.107 -8.697 1.00 0.86 N ATOM 305 CA LEU A 76 18.048 -6.720 -8.206 1.00 0.77 C ATOM 306 C LEU A 76 18.325 -7.750 -7.108 1.00 0.77 C ATOM 307 O LEU A 76 18.628 -8.896 -7.375 1.00 0.85 O ATOM 308 CB LEU A 76 17.331 -7.404 -9.374 1.00 0.84 C ATOM 309 CG LEU A 76 16.901 -6.359 -10.418 1.00 0.87 C ATOM 310 CD1 LEU A 76 16.438 -7.074 -11.694 1.00 1.01 C ATOM 311 CD2 LEU A 76 15.747 -5.494 -9.870 1.00 0.76 C ATOM 0 H LEU A 76 19.516 -6.260 -9.685 1.00 0.86 H new ATOM 0 HA LEU A 76 17.421 -5.931 -7.789 1.00 0.77 H new ATOM 0 HB2 LEU A 76 17.991 -8.139 -9.835 1.00 0.84 H new ATOM 0 HB3 LEU A 76 16.458 -7.944 -9.008 1.00 0.84 H new ATOM 0 HG LEU A 76 17.751 -5.714 -10.641 1.00 0.87 H new ATOM 0 HD11 LEU A 76 16.133 -6.335 -12.435 1.00 1.01 H new ATOM 0 HD12 LEU A 76 17.257 -7.672 -12.094 1.00 1.01 H new ATOM 0 HD13 LEU A 76 15.595 -7.724 -11.461 1.00 1.01 H new ATOM 0 HD21 LEU A 76 15.455 -4.760 -10.621 1.00 0.76 H new ATOM 0 HD22 LEU A 76 14.895 -6.131 -9.634 1.00 0.76 H new ATOM 0 HD23 LEU A 76 16.075 -4.979 -8.967 1.00 0.76 H new ATOM 323 N ARG A 77 18.189 -7.349 -5.872 1.00 0.74 N ATOM 324 CA ARG A 77 18.401 -8.294 -4.739 1.00 0.79 C ATOM 325 C ARG A 77 17.085 -9.049 -4.489 1.00 0.71 C ATOM 326 O ARG A 77 16.023 -8.559 -4.817 1.00 0.73 O ATOM 327 CB ARG A 77 18.795 -7.491 -3.485 1.00 0.85 C ATOM 328 CG ARG A 77 20.312 -7.272 -3.454 1.00 1.19 C ATOM 329 CD ARG A 77 20.672 -6.417 -2.240 1.00 1.52 C ATOM 330 NE ARG A 77 22.143 -6.186 -2.205 1.00 2.13 N ATOM 331 CZ ARG A 77 22.633 -5.246 -1.446 1.00 2.66 C ATOM 332 NH1 ARG A 77 21.834 -4.514 -0.719 1.00 2.73 N ATOM 333 NH2 ARG A 77 23.921 -5.037 -1.412 1.00 3.61 N ATOM 0 H ARG A 77 17.938 -6.399 -5.598 1.00 0.74 H new ATOM 0 HA ARG A 77 19.195 -9.004 -4.971 1.00 0.79 H new ATOM 0 HB2 ARG A 77 18.281 -6.530 -3.483 1.00 0.85 H new ATOM 0 HB3 ARG A 77 18.478 -8.024 -2.588 1.00 0.85 H new ATOM 0 HG2 ARG A 77 20.829 -8.230 -3.405 1.00 1.19 H new ATOM 0 HG3 ARG A 77 20.639 -6.780 -4.370 1.00 1.19 H new ATOM 0 HD2 ARG A 77 20.146 -5.464 -2.286 1.00 1.52 H new ATOM 0 HD3 ARG A 77 20.351 -6.915 -1.325 1.00 1.52 H new ATOM 0 HE ARG A 77 22.765 -6.761 -2.773 1.00 2.13 H new ATOM 0 HH11 ARG A 77 20.828 -4.678 -0.745 1.00 2.73 H new ATOM 0 HH12 ARG A 77 22.216 -3.778 -0.125 1.00 2.73 H new ATOM 0 HH21 ARG A 77 24.546 -5.609 -1.980 1.00 3.61 H new ATOM 0 HH22 ARG A 77 24.303 -4.301 -0.818 1.00 3.61 H new ATOM 347 N PRO A 78 17.141 -10.223 -3.910 1.00 0.79 N ATOM 348 CA PRO A 78 15.913 -11.026 -3.621 1.00 0.76 C ATOM 349 C PRO A 78 15.035 -10.367 -2.544 1.00 0.67 C ATOM 350 O PRO A 78 15.497 -10.031 -1.472 1.00 0.69 O ATOM 351 CB PRO A 78 16.467 -12.381 -3.142 1.00 0.86 C ATOM 352 CG PRO A 78 17.836 -12.077 -2.623 1.00 1.18 C ATOM 353 CD PRO A 78 18.366 -10.919 -3.472 1.00 1.06 C ATOM 0 HA PRO A 78 15.264 -11.117 -4.492 1.00 0.76 H new ATOM 0 HB2 PRO A 78 15.837 -12.813 -2.364 1.00 0.86 H new ATOM 0 HB3 PRO A 78 16.505 -13.103 -3.958 1.00 0.86 H new ATOM 0 HG2 PRO A 78 17.801 -11.803 -1.569 1.00 1.18 H new ATOM 0 HG3 PRO A 78 18.486 -12.948 -2.704 1.00 1.18 H new ATOM 0 HD2 PRO A 78 19.016 -10.262 -2.894 1.00 1.06 H new ATOM 0 HD3 PRO A 78 18.949 -11.277 -4.320 1.00 1.06 H new ATOM 361 N MET A 79 13.774 -10.180 -2.829 1.00 0.65 N ATOM 362 CA MET A 79 12.859 -9.540 -1.835 1.00 0.61 C ATOM 363 C MET A 79 12.678 -10.479 -0.632 1.00 0.51 C ATOM 364 O MET A 79 12.186 -11.582 -0.766 1.00 0.56 O ATOM 365 CB MET A 79 11.500 -9.269 -2.517 1.00 0.66 C ATOM 366 CG MET A 79 10.815 -8.039 -1.905 1.00 0.74 C ATOM 367 SD MET A 79 10.242 -8.426 -0.233 1.00 1.25 S ATOM 368 CE MET A 79 8.970 -7.143 -0.136 1.00 0.83 C ATOM 0 H MET A 79 13.335 -10.444 -3.711 1.00 0.65 H new ATOM 0 HA MET A 79 13.279 -8.598 -1.482 1.00 0.61 H new ATOM 0 HB2 MET A 79 11.650 -9.113 -3.585 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.855 -10.141 -2.410 1.00 0.66 H new ATOM 0 HG2 MET A 79 11.511 -7.201 -1.876 1.00 0.74 H new ATOM 0 HG3 MET A 79 9.973 -7.733 -2.526 1.00 0.74 H new ATOM 0 HE1 MET A 79 8.523 -7.148 0.858 1.00 0.83 H new ATOM 0 HE2 MET A 79 9.421 -6.169 -0.326 1.00 0.83 H new ATOM 0 HE3 MET A 79 8.199 -7.338 -0.882 1.00 0.83 H new ATOM 378 N THR A 80 13.085 -10.054 0.538 1.00 0.56 N ATOM 379 CA THR A 80 12.948 -10.931 1.744 1.00 0.60 C ATOM 380 C THR A 80 11.610 -10.704 2.425 1.00 0.56 C ATOM 381 O THR A 80 11.173 -9.590 2.610 1.00 0.50 O ATOM 382 CB THR A 80 14.081 -10.631 2.736 1.00 0.77 C ATOM 383 OG1 THR A 80 13.757 -9.476 3.494 1.00 0.94 O ATOM 384 CG2 THR A 80 15.386 -10.393 1.973 1.00 0.73 C ATOM 0 H THR A 80 13.505 -9.141 0.711 1.00 0.56 H new ATOM 0 HA THR A 80 13.006 -11.970 1.421 1.00 0.60 H new ATOM 0 HB THR A 80 14.206 -11.481 3.407 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.480 -9.287 4.128 1.00 0.94 H new ATOM 0 HG21 THR A 80 16.188 -10.180 2.680 1.00 0.73 H new ATOM 0 HG22 THR A 80 15.638 -11.283 1.396 1.00 0.73 H new ATOM 0 HG23 THR A 80 15.264 -9.546 1.298 1.00 0.73 H new ATOM 392 N TYR A 81 10.961 -11.765 2.840 1.00 0.61 N ATOM 393 CA TYR A 81 9.668 -11.601 3.555 1.00 0.60 C ATOM 394 C TYR A 81 9.944 -10.612 4.686 1.00 0.51 C ATOM 395 O TYR A 81 9.163 -9.725 4.973 1.00 0.45 O ATOM 396 CB TYR A 81 9.206 -12.984 4.086 1.00 0.69 C ATOM 397 CG TYR A 81 8.699 -12.901 5.514 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.412 -12.419 5.775 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.522 -13.306 6.573 1.00 0.71 C ATOM 400 CE1 TYR A 81 6.945 -12.344 7.092 1.00 0.66 C ATOM 401 CE2 TYR A 81 9.056 -13.230 7.891 1.00 0.77 C ATOM 402 CZ TYR A 81 7.768 -12.749 8.150 1.00 0.73 C ATOM 403 OH TYR A 81 7.308 -12.675 9.450 1.00 0.90 O ATOM 0 H TYR A 81 11.272 -12.728 2.713 1.00 0.61 H new ATOM 0 HA TYR A 81 8.869 -11.225 2.916 1.00 0.60 H new ATOM 0 HB2 TYR A 81 8.418 -13.375 3.443 1.00 0.69 H new ATOM 0 HB3 TYR A 81 10.037 -13.688 4.036 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.778 -12.104 4.959 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.516 -13.677 6.373 1.00 0.71 H new ATOM 0 HE1 TYR A 81 5.950 -11.974 7.292 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.690 -13.542 8.707 1.00 0.77 H new ATOM 0 HH TYR A 81 8.003 -12.996 10.062 1.00 0.90 H new ATOM 413 N LYS A 82 11.090 -10.744 5.291 1.00 0.52 N ATOM 414 CA LYS A 82 11.474 -9.803 6.361 1.00 0.48 C ATOM 415 C LYS A 82 11.508 -8.397 5.764 1.00 0.40 C ATOM 416 O LYS A 82 11.240 -7.424 6.440 1.00 0.38 O ATOM 417 CB LYS A 82 12.857 -10.170 6.904 1.00 0.55 C ATOM 418 CG LYS A 82 13.128 -9.378 8.191 1.00 0.60 C ATOM 419 CD LYS A 82 14.409 -9.891 8.875 1.00 0.92 C ATOM 420 CE LYS A 82 14.095 -11.105 9.761 1.00 1.49 C ATOM 421 NZ LYS A 82 13.030 -10.749 10.744 1.00 2.32 N ATOM 0 H LYS A 82 11.777 -11.469 5.084 1.00 0.52 H new ATOM 0 HA LYS A 82 10.757 -9.849 7.181 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.908 -11.240 7.105 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.622 -9.948 6.160 1.00 0.55 H new ATOM 0 HG2 LYS A 82 13.231 -8.318 7.959 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.281 -9.474 8.871 1.00 0.60 H new ATOM 0 HD2 LYS A 82 15.147 -10.165 8.121 1.00 0.92 H new ATOM 0 HD3 LYS A 82 14.849 -9.097 9.478 1.00 0.92 H new ATOM 0 HE2 LYS A 82 13.769 -11.943 9.144 1.00 1.49 H new ATOM 0 HE3 LYS A 82 14.995 -11.427 10.286 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 13.117 -11.355 11.585 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 13.134 -9.753 11.023 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 12.096 -10.891 10.310 1.00 2.32 H new ATOM 435 N ALA A 83 11.830 -8.271 4.492 1.00 0.42 N ATOM 436 CA ALA A 83 11.860 -6.899 3.896 1.00 0.41 C ATOM 437 C ALA A 83 10.445 -6.309 3.903 1.00 0.35 C ATOM 438 O ALA A 83 10.262 -5.115 4.034 1.00 0.34 O ATOM 439 CB ALA A 83 12.376 -6.947 2.454 1.00 0.52 C ATOM 0 H ALA A 83 12.066 -9.037 3.861 1.00 0.42 H new ATOM 0 HA ALA A 83 12.529 -6.277 4.490 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.390 -5.939 2.039 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.385 -7.358 2.442 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.720 -7.578 1.854 1.00 0.52 H new ATOM 445 N ALA A 84 9.444 -7.137 3.764 1.00 0.34 N ATOM 446 CA ALA A 84 8.041 -6.627 3.760 1.00 0.31 C ATOM 447 C ALA A 84 7.713 -5.992 5.113 1.00 0.28 C ATOM 448 O ALA A 84 7.272 -4.863 5.188 1.00 0.28 O ATOM 449 CB ALA A 84 7.079 -7.789 3.501 1.00 0.34 C ATOM 0 H ALA A 84 9.537 -8.147 3.653 1.00 0.34 H new ATOM 0 HA ALA A 84 7.935 -5.878 2.976 1.00 0.31 H new ATOM 0 HB1 ALA A 84 6.054 -7.419 3.498 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.305 -8.240 2.535 1.00 0.34 H new ATOM 0 HB3 ALA A 84 7.192 -8.537 4.286 1.00 0.34 H new ATOM 455 N VAL A 85 7.914 -6.711 6.183 1.00 0.29 N ATOM 456 CA VAL A 85 7.600 -6.143 7.526 1.00 0.29 C ATOM 457 C VAL A 85 8.529 -4.966 7.819 1.00 0.29 C ATOM 458 O VAL A 85 8.104 -3.937 8.306 1.00 0.30 O ATOM 459 CB VAL A 85 7.773 -7.222 8.602 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.039 -6.805 9.881 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.188 -8.540 8.093 1.00 0.38 C ATOM 0 H VAL A 85 8.280 -7.663 6.187 1.00 0.29 H new ATOM 0 HA VAL A 85 6.567 -5.795 7.534 1.00 0.29 H new ATOM 0 HB VAL A 85 8.834 -7.346 8.820 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.166 -7.576 10.641 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.450 -5.864 10.246 1.00 0.37 H new ATOM 0 HG13 VAL A 85 5.978 -6.678 9.667 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.309 -9.310 8.855 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.128 -8.408 7.876 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.709 -8.843 7.185 1.00 0.38 H new ATOM 471 N ASP A 86 9.790 -5.097 7.523 1.00 0.30 N ATOM 472 CA ASP A 86 10.722 -3.970 7.786 1.00 0.32 C ATOM 473 C ASP A 86 10.273 -2.766 6.958 1.00 0.30 C ATOM 474 O ASP A 86 10.189 -1.657 7.447 1.00 0.31 O ATOM 475 CB ASP A 86 12.146 -4.374 7.384 1.00 0.36 C ATOM 476 CG ASP A 86 12.758 -5.256 8.475 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.165 -6.276 8.787 1.00 1.23 O ATOM 478 OD2 ASP A 86 13.809 -4.897 8.978 1.00 1.05 O ATOM 0 H ASP A 86 10.213 -5.930 7.113 1.00 0.30 H new ATOM 0 HA ASP A 86 10.714 -3.717 8.846 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.128 -4.911 6.436 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.759 -3.485 7.235 1.00 0.36 H new ATOM 483 N LEU A 87 9.976 -2.980 5.706 1.00 0.29 N ATOM 484 CA LEU A 87 9.524 -1.855 4.844 1.00 0.30 C ATOM 485 C LEU A 87 8.230 -1.257 5.405 1.00 0.29 C ATOM 486 O LEU A 87 8.061 -0.055 5.434 1.00 0.30 O ATOM 487 CB LEU A 87 9.283 -2.366 3.421 1.00 0.33 C ATOM 488 CG LEU A 87 9.047 -1.186 2.465 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.332 -0.345 2.311 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.618 -1.734 1.099 1.00 0.44 C ATOM 0 H LEU A 87 10.027 -3.887 5.243 1.00 0.29 H new ATOM 0 HA LEU A 87 10.294 -1.084 4.826 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.141 -2.949 3.086 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.420 -3.032 3.407 1.00 0.33 H new ATOM 0 HG LEU A 87 8.266 -0.544 2.873 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.144 0.485 1.630 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.631 0.044 3.284 1.00 0.52 H new ATOM 0 HD13 LEU A 87 11.130 -0.970 1.909 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.448 -0.905 0.412 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.403 -2.378 0.703 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.698 -2.308 1.210 1.00 0.44 H new ATOM 502 N SER A 88 7.309 -2.078 5.844 1.00 0.30 N ATOM 503 CA SER A 88 6.039 -1.520 6.389 1.00 0.34 C ATOM 504 C SER A 88 6.353 -0.476 7.465 1.00 0.33 C ATOM 505 O SER A 88 5.708 0.550 7.554 1.00 0.36 O ATOM 506 CB SER A 88 5.203 -2.647 6.998 1.00 0.40 C ATOM 507 OG SER A 88 5.870 -3.162 8.142 1.00 0.44 O ATOM 0 H SER A 88 7.381 -3.095 5.848 1.00 0.30 H new ATOM 0 HA SER A 88 5.478 -1.048 5.582 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.217 -2.275 7.275 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.050 -3.439 6.265 1.00 0.40 H new ATOM 0 HG SER A 88 6.824 -3.268 7.944 1.00 0.44 H new ATOM 513 N HIS A 89 7.329 -0.735 8.292 1.00 0.34 N ATOM 514 CA HIS A 89 7.673 0.236 9.371 1.00 0.36 C ATOM 515 C HIS A 89 8.422 1.443 8.801 1.00 0.36 C ATOM 516 O HIS A 89 8.203 2.564 9.214 1.00 0.41 O ATOM 517 CB HIS A 89 8.551 -0.454 10.417 1.00 0.41 C ATOM 518 CG HIS A 89 7.758 -1.527 11.111 1.00 0.52 C ATOM 519 ND1 HIS A 89 8.236 -2.192 12.230 1.00 1.43 N ATOM 520 CD2 HIS A 89 6.521 -2.062 10.858 1.00 1.01 C ATOM 521 CE1 HIS A 89 7.298 -3.080 12.605 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.232 -3.042 11.802 1.00 0.82 N ATOM 0 H HIS A 89 7.904 -1.577 8.268 1.00 0.34 H new ATOM 0 HA HIS A 89 6.747 0.584 9.829 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.430 -0.888 9.940 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.910 0.275 11.144 1.00 0.41 H new ATOM 0 HD1 HIS A 89 9.135 -2.036 12.686 1.00 1.43 H new ATOM 0 HD2 HIS A 89 5.870 -1.767 10.048 1.00 1.01 H new ATOM 0 HE1 HIS A 89 7.395 -3.743 13.452 1.00 1.27 H new ATOM 530 N PHE A 90 9.310 1.236 7.868 1.00 0.34 N ATOM 531 CA PHE A 90 10.058 2.396 7.308 1.00 0.37 C ATOM 532 C PHE A 90 9.057 3.432 6.795 1.00 0.40 C ATOM 533 O PHE A 90 9.100 4.588 7.165 1.00 0.47 O ATOM 534 CB PHE A 90 10.957 1.925 6.160 1.00 0.38 C ATOM 535 CG PHE A 90 12.004 2.978 5.868 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.106 3.124 6.719 1.00 0.57 C ATOM 537 CD2 PHE A 90 11.871 3.810 4.747 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.075 4.099 6.451 1.00 0.69 C ATOM 539 CE2 PHE A 90 12.841 4.784 4.480 1.00 0.70 C ATOM 540 CZ PHE A 90 13.942 4.929 5.331 1.00 0.72 C ATOM 0 H PHE A 90 9.548 0.326 7.473 1.00 0.34 H new ATOM 0 HA PHE A 90 10.681 2.843 8.083 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.438 0.983 6.425 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.358 1.737 5.269 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.209 2.484 7.583 1.00 0.57 H new ATOM 0 HD2 PHE A 90 11.021 3.700 4.090 1.00 0.59 H new ATOM 0 HE1 PHE A 90 14.925 4.211 7.108 1.00 0.69 H new ATOM 0 HE2 PHE A 90 12.739 5.424 3.616 1.00 0.70 H new ATOM 0 HZ PHE A 90 14.689 5.681 5.124 1.00 0.72 H new ATOM 550 N LEU A 91 8.153 3.023 5.953 1.00 0.37 N ATOM 551 CA LEU A 91 7.142 3.978 5.424 1.00 0.42 C ATOM 552 C LEU A 91 6.303 4.537 6.577 1.00 0.47 C ATOM 553 O LEU A 91 5.831 5.654 6.523 1.00 0.57 O ATOM 554 CB LEU A 91 6.229 3.252 4.432 1.00 0.41 C ATOM 555 CG LEU A 91 7.057 2.713 3.255 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.260 1.631 2.522 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.390 3.845 2.270 1.00 0.54 C ATOM 0 H LEU A 91 8.070 2.067 5.607 1.00 0.37 H new ATOM 0 HA LEU A 91 7.650 4.800 4.920 1.00 0.42 H new ATOM 0 HB2 LEU A 91 5.715 2.431 4.932 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.461 3.933 4.066 1.00 0.41 H new ATOM 0 HG LEU A 91 7.985 2.294 3.644 1.00 0.41 H new ATOM 0 HD11 LEU A 91 6.848 1.249 1.687 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.035 0.816 3.210 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.329 2.056 2.146 1.00 0.42 H new ATOM 0 HD21 LEU A 91 7.977 3.446 1.442 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.466 4.276 1.885 1.00 0.54 H new ATOM 0 HD23 LEU A 91 7.964 4.617 2.783 1.00 0.54 H new ATOM 569 N LYS A 92 6.100 3.770 7.618 1.00 0.45 N ATOM 570 CA LYS A 92 5.278 4.273 8.757 1.00 0.53 C ATOM 571 C LYS A 92 5.990 5.459 9.426 1.00 0.63 C ATOM 572 O LYS A 92 5.376 6.444 9.782 1.00 0.85 O ATOM 573 CB LYS A 92 5.070 3.131 9.775 1.00 0.54 C ATOM 574 CG LYS A 92 3.700 3.263 10.458 1.00 0.73 C ATOM 575 CD LYS A 92 3.589 4.628 11.145 1.00 1.20 C ATOM 576 CE LYS A 92 2.444 4.600 12.162 1.00 1.61 C ATOM 577 NZ LYS A 92 1.219 4.053 11.514 1.00 2.27 N ATOM 0 H LYS A 92 6.465 2.824 7.727 1.00 0.45 H new ATOM 0 HA LYS A 92 4.308 4.609 8.392 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.140 2.168 9.269 1.00 0.54 H new ATOM 0 HB3 LYS A 92 5.861 3.155 10.525 1.00 0.54 H new ATOM 0 HG2 LYS A 92 2.904 3.151 9.721 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.571 2.466 11.190 1.00 0.73 H new ATOM 0 HD2 LYS A 92 4.527 4.872 11.644 1.00 1.20 H new ATOM 0 HD3 LYS A 92 3.411 5.406 10.403 1.00 1.20 H new ATOM 0 HE2 LYS A 92 2.720 3.986 13.020 1.00 1.61 H new ATOM 0 HE3 LYS A 92 2.252 5.605 12.538 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 0.382 4.322 12.070 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 1.134 4.438 10.552 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 1.284 3.016 11.467 1.00 2.27 H new ATOM 591 N GLU A 93 7.280 5.369 9.605 1.00 0.62 N ATOM 592 CA GLU A 93 8.020 6.484 10.257 1.00 0.76 C ATOM 593 C GLU A 93 8.060 7.701 9.330 1.00 0.77 C ATOM 594 O GLU A 93 7.408 8.699 9.568 1.00 1.05 O ATOM 595 CB GLU A 93 9.450 6.030 10.566 1.00 0.94 C ATOM 596 CG GLU A 93 9.438 5.074 11.760 1.00 1.22 C ATOM 597 CD GLU A 93 10.874 4.680 12.115 1.00 2.00 C ATOM 598 OE1 GLU A 93 11.720 4.751 11.239 1.00 2.54 O ATOM 599 OE2 GLU A 93 11.101 4.313 13.256 1.00 2.73 O ATOM 0 H GLU A 93 7.852 4.571 9.328 1.00 0.62 H new ATOM 0 HA GLU A 93 7.512 6.759 11.182 1.00 0.76 H new ATOM 0 HB2 GLU A 93 9.881 5.536 9.696 1.00 0.94 H new ATOM 0 HB3 GLU A 93 10.077 6.894 10.785 1.00 0.94 H new ATOM 0 HG2 GLU A 93 8.958 5.550 12.615 1.00 1.22 H new ATOM 0 HG3 GLU A 93 8.854 4.185 11.521 1.00 1.22 H new ATOM 606 N LYS A 94 8.835 7.632 8.284 1.00 0.80 N ATOM 607 CA LYS A 94 8.935 8.791 7.349 1.00 1.02 C ATOM 608 C LYS A 94 7.720 8.839 6.416 1.00 0.96 C ATOM 609 O LYS A 94 7.110 9.872 6.233 1.00 1.41 O ATOM 610 CB LYS A 94 10.213 8.662 6.515 1.00 1.39 C ATOM 611 CG LYS A 94 11.426 8.981 7.392 1.00 1.63 C ATOM 612 CD LYS A 94 12.711 8.692 6.616 1.00 2.18 C ATOM 613 CE LYS A 94 13.916 8.911 7.532 1.00 2.61 C ATOM 614 NZ LYS A 94 15.160 8.500 6.822 1.00 2.96 N ATOM 0 H LYS A 94 9.404 6.823 8.035 1.00 0.80 H new ATOM 0 HA LYS A 94 8.963 9.711 7.933 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.297 7.653 6.112 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.176 9.343 5.665 1.00 1.39 H new ATOM 0 HG2 LYS A 94 11.401 10.027 7.698 1.00 1.63 H new ATOM 0 HG3 LYS A 94 11.397 8.382 8.302 1.00 1.63 H new ATOM 0 HD2 LYS A 94 12.703 7.667 6.246 1.00 2.18 H new ATOM 0 HD3 LYS A 94 12.778 9.345 5.746 1.00 2.18 H new ATOM 0 HE2 LYS A 94 13.980 9.960 7.823 1.00 2.61 H new ATOM 0 HE3 LYS A 94 13.800 8.333 8.449 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 15.980 8.649 7.444 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 15.097 7.494 6.566 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 15.272 9.070 5.960 1.00 2.96 H new ATOM 628 N GLY A 95 7.375 7.736 5.811 1.00 1.12 N ATOM 629 CA GLY A 95 6.212 7.734 4.877 1.00 1.51 C ATOM 630 C GLY A 95 4.917 8.023 5.645 1.00 1.10 C ATOM 631 O GLY A 95 4.815 7.763 6.828 1.00 1.71 O ATOM 0 H GLY A 95 7.846 6.838 5.922 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.358 8.485 4.100 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.139 6.768 4.377 1.00 1.51 H new ATOM 635 N GLY A 96 3.920 8.553 4.972 1.00 1.17 N ATOM 636 CA GLY A 96 2.612 8.857 5.633 1.00 0.99 C ATOM 637 C GLY A 96 1.493 8.197 4.829 1.00 0.81 C ATOM 638 O GLY A 96 0.522 8.828 4.458 1.00 0.83 O ATOM 0 H GLY A 96 3.960 8.790 3.981 1.00 1.17 H new ATOM 0 HA2 GLY A 96 2.611 8.486 6.658 1.00 0.99 H new ATOM 0 HA3 GLY A 96 2.456 9.935 5.684 1.00 0.99 H new ATOM 642 N LEU A 97 1.629 6.931 4.544 1.00 0.67 N ATOM 643 CA LEU A 97 0.583 6.224 3.752 1.00 0.55 C ATOM 644 C LEU A 97 -0.584 5.853 4.668 1.00 0.46 C ATOM 645 O LEU A 97 -1.725 5.822 4.254 1.00 0.49 O ATOM 646 CB LEU A 97 1.191 4.952 3.148 1.00 0.54 C ATOM 647 CG LEU A 97 0.205 4.301 2.161 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.187 5.068 0.828 1.00 0.65 C ATOM 649 CD2 LEU A 97 0.634 2.852 1.903 1.00 0.66 C ATOM 0 H LEU A 97 2.422 6.354 4.826 1.00 0.67 H new ATOM 0 HA LEU A 97 0.220 6.871 2.954 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.122 5.195 2.635 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.439 4.248 3.942 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.795 4.327 2.594 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.516 4.592 0.144 1.00 0.65 H new ATOM 0 HD12 LEU A 97 -0.120 6.099 1.005 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.184 5.057 0.389 1.00 0.65 H new ATOM 0 HD21 LEU A 97 -0.061 2.386 1.205 1.00 0.66 H new ATOM 0 HD22 LEU A 97 1.638 2.840 1.479 1.00 0.66 H new ATOM 0 HD23 LEU A 97 0.630 2.299 2.842 1.00 0.66 H new ATOM 661 N GLU A 98 -0.308 5.573 5.909 1.00 0.44 N ATOM 662 CA GLU A 98 -1.398 5.203 6.853 1.00 0.40 C ATOM 663 C GLU A 98 -2.548 6.201 6.740 1.00 0.40 C ATOM 664 O GLU A 98 -2.352 7.387 6.564 1.00 0.58 O ATOM 665 CB GLU A 98 -0.852 5.211 8.283 1.00 0.49 C ATOM 666 CG GLU A 98 -1.988 5.000 9.289 1.00 0.48 C ATOM 667 CD GLU A 98 -1.396 4.782 10.682 1.00 1.26 C ATOM 668 OE1 GLU A 98 -1.104 5.768 11.340 1.00 1.94 O ATOM 669 OE2 GLU A 98 -1.240 3.635 11.066 1.00 2.03 O ATOM 0 H GLU A 98 0.629 5.584 6.312 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.766 4.208 6.605 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.105 4.426 8.398 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.352 6.159 8.483 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.650 5.866 9.294 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.591 4.140 8.999 1.00 0.48 H new ATOM 676 N GLY A 99 -3.745 5.714 6.864 1.00 0.39 N ATOM 677 CA GLY A 99 -4.942 6.598 6.794 1.00 0.42 C ATOM 678 C GLY A 99 -4.940 7.434 5.506 1.00 0.42 C ATOM 679 O GLY A 99 -5.826 8.237 5.287 1.00 0.46 O ATOM 0 H GLY A 99 -3.952 4.726 7.013 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.847 5.993 6.836 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.960 7.260 7.660 1.00 0.42 H new ATOM 683 N LEU A 100 -3.968 7.267 4.649 1.00 0.41 N ATOM 684 CA LEU A 100 -3.953 8.074 3.390 1.00 0.43 C ATOM 685 C LEU A 100 -4.994 7.509 2.413 1.00 0.42 C ATOM 686 O LEU A 100 -4.958 6.349 2.055 1.00 0.44 O ATOM 687 CB LEU A 100 -2.552 8.030 2.756 1.00 0.45 C ATOM 688 CG LEU A 100 -2.362 9.227 1.797 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.861 10.451 2.576 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.336 8.872 0.712 1.00 1.17 C ATOM 0 H LEU A 100 -3.192 6.615 4.762 1.00 0.41 H new ATOM 0 HA LEU A 100 -4.200 9.111 3.619 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.791 8.055 3.536 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.420 7.095 2.212 1.00 0.45 H new ATOM 0 HG LEU A 100 -3.322 9.456 1.334 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.730 11.289 1.892 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.589 10.718 3.342 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -0.907 10.216 3.049 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -1.208 9.721 0.040 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.381 8.632 1.179 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.689 8.011 0.145 1.00 1.17 H new ATOM 702 N ILE A 101 -5.938 8.316 2.004 1.00 0.44 N ATOM 703 CA ILE A 101 -7.001 7.825 1.078 1.00 0.45 C ATOM 704 C ILE A 101 -6.427 7.436 -0.290 1.00 0.46 C ATOM 705 O ILE A 101 -6.031 8.268 -1.080 1.00 0.49 O ATOM 706 CB ILE A 101 -8.101 8.897 0.948 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.977 8.891 2.228 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.976 8.638 -0.289 1.00 0.54 C ATOM 709 CD1 ILE A 101 -10.044 7.769 2.197 1.00 0.52 C ATOM 0 H ILE A 101 -6.019 9.297 2.272 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.439 6.919 1.497 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.629 9.872 0.830 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.340 8.761 3.103 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.470 9.857 2.334 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.745 9.408 -0.359 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.356 8.662 -1.185 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.449 7.660 -0.202 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.634 7.803 3.113 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.699 7.913 1.338 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.551 6.800 2.118 1.00 0.52 H new ATOM 721 N HIS A 102 -6.421 6.159 -0.572 1.00 0.47 N ATOM 722 CA HIS A 102 -5.924 5.664 -1.884 1.00 0.51 C ATOM 723 C HIS A 102 -6.879 6.155 -2.977 1.00 0.58 C ATOM 724 O HIS A 102 -7.953 5.611 -3.168 1.00 0.64 O ATOM 725 CB HIS A 102 -5.885 4.125 -1.851 1.00 0.57 C ATOM 726 CG HIS A 102 -5.784 3.553 -3.241 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.767 3.755 -4.198 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.842 2.753 -3.835 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.397 3.086 -5.304 1.00 1.36 C ATOM 730 NE2 HIS A 102 -5.230 2.459 -5.139 1.00 0.70 N ATOM 0 H HIS A 102 -6.745 5.430 0.063 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.920 6.037 -2.089 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -5.035 3.793 -1.255 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.783 3.746 -1.363 1.00 0.57 H new ATOM 0 HD1 HIS A 102 -7.615 4.310 -4.084 1.00 1.41 H new ATOM 0 HD2 HIS A 102 -3.936 2.404 -3.362 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -6.974 3.059 -6.216 1.00 1.36 H new ATOM 738 N SER A 103 -6.496 7.187 -3.679 1.00 0.60 N ATOM 739 CA SER A 103 -7.369 7.736 -4.754 1.00 0.69 C ATOM 740 C SER A 103 -7.474 6.731 -5.902 1.00 0.76 C ATOM 741 O SER A 103 -8.373 5.914 -5.948 1.00 0.85 O ATOM 742 CB SER A 103 -6.764 9.040 -5.278 1.00 0.74 C ATOM 743 OG SER A 103 -5.370 8.857 -5.493 1.00 1.49 O ATOM 0 H SER A 103 -5.610 7.676 -3.552 1.00 0.60 H new ATOM 0 HA SER A 103 -8.363 7.925 -4.349 1.00 0.69 H new ATOM 0 HB2 SER A 103 -7.252 9.333 -6.208 1.00 0.74 H new ATOM 0 HB3 SER A 103 -6.931 9.845 -4.563 1.00 0.74 H new ATOM 0 HG SER A 103 -4.979 9.690 -5.830 1.00 1.49 H new ATOM 749 N GLN A 104 -6.563 6.793 -6.834 1.00 0.81 N ATOM 750 CA GLN A 104 -6.605 5.852 -7.988 1.00 0.92 C ATOM 751 C GLN A 104 -5.226 5.803 -8.650 1.00 0.93 C ATOM 752 O GLN A 104 -5.036 5.163 -9.665 1.00 1.37 O ATOM 753 CB GLN A 104 -7.649 6.348 -8.998 1.00 1.06 C ATOM 754 CG GLN A 104 -8.019 5.221 -9.968 1.00 1.76 C ATOM 755 CD GLN A 104 -9.184 5.675 -10.850 1.00 2.14 C ATOM 756 OE1 GLN A 104 -9.324 6.848 -11.135 1.00 2.64 O ATOM 757 NE2 GLN A 104 -10.033 4.790 -11.297 1.00 2.70 N ATOM 0 H GLN A 104 -5.789 7.457 -6.846 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.875 4.853 -7.646 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -8.539 6.693 -8.473 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -7.255 7.200 -9.552 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -7.160 4.961 -10.586 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -8.296 4.324 -9.413 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -9.916 3.805 -11.058 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -10.813 5.083 -11.885 1.00 2.70 H new ATOM 766 N ARG A 105 -4.258 6.484 -8.087 1.00 0.83 N ATOM 767 CA ARG A 105 -2.886 6.490 -8.689 1.00 0.87 C ATOM 768 C ARG A 105 -1.830 6.460 -7.583 1.00 0.74 C ATOM 769 O ARG A 105 -0.695 6.088 -7.809 1.00 0.70 O ATOM 770 CB ARG A 105 -2.709 7.761 -9.522 1.00 1.06 C ATOM 771 CG ARG A 105 -3.770 7.802 -10.630 1.00 1.71 C ATOM 772 CD ARG A 105 -3.565 9.041 -11.531 1.00 1.99 C ATOM 773 NE ARG A 105 -4.880 9.713 -11.790 1.00 2.86 N ATOM 774 CZ ARG A 105 -5.944 9.028 -12.132 1.00 3.60 C ATOM 775 NH1 ARG A 105 -5.865 7.744 -12.348 1.00 3.73 N ATOM 776 NH2 ARG A 105 -7.085 9.640 -12.288 1.00 4.61 N ATOM 0 H ARG A 105 -4.358 7.037 -7.236 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.767 5.610 -9.322 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -2.800 8.641 -8.885 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -1.711 7.785 -9.959 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -3.712 6.895 -11.231 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -4.766 7.828 -10.187 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -2.879 9.739 -11.052 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -3.108 8.743 -12.475 1.00 1.99 H new ATOM 0 HE ARG A 105 -4.948 10.727 -11.698 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -4.970 7.265 -12.251 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -6.698 7.219 -12.614 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -7.147 10.648 -12.144 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -7.915 9.111 -12.554 1.00 4.61 H new ATOM 790 N ARG A 106 -2.184 6.852 -6.391 1.00 0.71 N ATOM 791 CA ARG A 106 -1.188 6.847 -5.283 1.00 0.65 C ATOM 792 C ARG A 106 -0.583 5.446 -5.145 1.00 0.54 C ATOM 793 O ARG A 106 0.525 5.281 -4.672 1.00 0.50 O ATOM 794 CB ARG A 106 -1.878 7.242 -3.975 1.00 0.70 C ATOM 795 CG ARG A 106 -2.218 8.736 -4.010 1.00 1.01 C ATOM 796 CD ARG A 106 -3.149 9.087 -2.845 1.00 1.24 C ATOM 797 NE ARG A 106 -3.094 10.557 -2.594 1.00 1.86 N ATOM 798 CZ ARG A 106 -4.007 11.129 -1.859 1.00 2.48 C ATOM 799 NH1 ARG A 106 -4.969 10.417 -1.342 1.00 2.86 N ATOM 800 NH2 ARG A 106 -3.958 12.415 -1.640 1.00 3.29 N ATOM 0 H ARG A 106 -3.117 7.175 -6.136 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.395 7.562 -5.503 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.786 6.654 -3.838 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.227 7.026 -3.128 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -1.304 9.327 -3.947 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -2.696 8.987 -4.957 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -4.170 8.784 -3.077 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -2.851 8.542 -1.949 1.00 1.24 H new ATOM 0 HE ARG A 106 -2.342 11.115 -2.998 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -5.008 9.412 -1.512 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -5.683 10.865 -0.767 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -3.206 12.973 -2.044 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -4.672 12.862 -1.065 1.00 3.29 H new ATOM 814 N GLN A 107 -1.301 4.436 -5.553 1.00 0.55 N ATOM 815 CA GLN A 107 -0.768 3.046 -5.444 1.00 0.52 C ATOM 816 C GLN A 107 0.457 2.883 -6.351 1.00 0.49 C ATOM 817 O GLN A 107 1.487 2.392 -5.935 1.00 0.44 O ATOM 818 CB GLN A 107 -1.847 2.051 -5.878 1.00 0.63 C ATOM 819 CG GLN A 107 -1.403 0.631 -5.519 1.00 1.11 C ATOM 820 CD GLN A 107 -2.474 -0.368 -5.960 1.00 1.53 C ATOM 821 OE1 GLN A 107 -2.486 -1.499 -5.514 1.00 2.13 O ATOM 822 NE2 GLN A 107 -3.381 0.002 -6.822 1.00 2.12 N ATOM 0 H GLN A 107 -2.234 4.512 -5.958 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.481 2.855 -4.410 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.791 2.284 -5.386 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.019 2.130 -6.951 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.455 0.402 -6.005 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -1.237 0.552 -4.445 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -3.372 0.951 -7.197 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -4.099 -0.657 -7.121 1.00 2.12 H new ATOM 831 N ASP A 108 0.348 3.281 -7.589 1.00 0.56 N ATOM 832 CA ASP A 108 1.499 3.136 -8.528 1.00 0.59 C ATOM 833 C ASP A 108 2.726 3.872 -7.980 1.00 0.54 C ATOM 834 O ASP A 108 3.811 3.329 -7.927 1.00 0.54 O ATOM 835 CB ASP A 108 1.120 3.724 -9.888 1.00 0.72 C ATOM 836 CG ASP A 108 -0.008 2.894 -10.507 1.00 0.81 C ATOM 837 OD1 ASP A 108 -0.253 1.805 -10.016 1.00 1.33 O ATOM 838 OD2 ASP A 108 -0.607 3.363 -11.461 1.00 1.42 O ATOM 0 H ASP A 108 -0.489 3.701 -7.992 1.00 0.56 H new ATOM 0 HA ASP A 108 1.739 2.078 -8.635 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.802 4.760 -9.772 1.00 0.72 H new ATOM 0 HB3 ASP A 108 1.987 3.729 -10.548 1.00 0.72 H new ATOM 843 N ILE A 109 2.568 5.104 -7.583 1.00 0.55 N ATOM 844 CA ILE A 109 3.734 5.871 -7.052 1.00 0.54 C ATOM 845 C ILE A 109 4.430 5.062 -5.952 1.00 0.47 C ATOM 846 O ILE A 109 5.630 5.137 -5.782 1.00 0.53 O ATOM 847 CB ILE A 109 3.254 7.206 -6.475 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.384 7.929 -7.511 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.464 8.076 -6.132 1.00 0.63 C ATOM 850 CD1 ILE A 109 1.879 9.251 -6.927 1.00 1.47 C ATOM 0 H ILE A 109 1.685 5.614 -7.602 1.00 0.55 H new ATOM 0 HA ILE A 109 4.437 6.058 -7.864 1.00 0.54 H new ATOM 0 HB ILE A 109 2.669 7.023 -5.574 1.00 0.59 H new ATOM 0 HG12 ILE A 109 2.960 8.117 -8.417 1.00 0.70 H new ATOM 0 HG13 ILE A 109 1.540 7.300 -7.795 1.00 0.70 H new ATOM 0 HG21 ILE A 109 4.124 9.027 -5.721 1.00 0.63 H new ATOM 0 HG22 ILE A 109 5.084 7.564 -5.396 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.048 8.259 -7.034 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.261 9.762 -7.665 1.00 1.47 H new ATOM 0 HD12 ILE A 109 1.287 9.052 -6.034 1.00 1.47 H new ATOM 0 HD13 ILE A 109 2.729 9.882 -6.666 1.00 1.47 H new ATOM 862 N LEU A 110 3.687 4.296 -5.201 1.00 0.43 N ATOM 863 CA LEU A 110 4.308 3.491 -4.108 1.00 0.39 C ATOM 864 C LEU A 110 5.240 2.432 -4.707 1.00 0.38 C ATOM 865 O LEU A 110 6.440 2.470 -4.521 1.00 0.38 O ATOM 866 CB LEU A 110 3.199 2.805 -3.298 1.00 0.42 C ATOM 867 CG LEU A 110 3.787 2.098 -2.063 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.228 3.127 -1.008 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.719 1.180 -1.461 1.00 0.66 C ATOM 0 H LEU A 110 2.677 4.192 -5.296 1.00 0.43 H new ATOM 0 HA LEU A 110 4.888 4.145 -3.457 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.461 3.543 -2.984 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.679 2.081 -3.925 1.00 0.42 H new ATOM 0 HG LEU A 110 4.658 1.517 -2.367 1.00 0.44 H new ATOM 0 HD11 LEU A 110 4.641 2.607 -0.143 1.00 0.56 H new ATOM 0 HD12 LEU A 110 4.988 3.782 -1.434 1.00 0.56 H new ATOM 0 HD13 LEU A 110 3.369 3.721 -0.698 1.00 0.56 H new ATOM 0 HD21 LEU A 110 3.126 0.674 -0.585 1.00 0.66 H new ATOM 0 HD22 LEU A 110 1.853 1.773 -1.168 1.00 0.66 H new ATOM 0 HD23 LEU A 110 2.418 0.438 -2.201 1.00 0.66 H new ATOM 881 N ASP A 111 4.694 1.479 -5.413 1.00 0.40 N ATOM 882 CA ASP A 111 5.539 0.404 -6.013 1.00 0.42 C ATOM 883 C ASP A 111 6.709 1.015 -6.790 1.00 0.43 C ATOM 884 O ASP A 111 7.824 0.537 -6.724 1.00 0.42 O ATOM 885 CB ASP A 111 4.686 -0.432 -6.968 1.00 0.50 C ATOM 886 CG ASP A 111 3.663 -1.239 -6.168 1.00 0.59 C ATOM 887 OD1 ASP A 111 4.049 -2.240 -5.587 1.00 1.19 O ATOM 888 OD2 ASP A 111 2.509 -0.844 -6.151 1.00 1.30 O ATOM 0 H ASP A 111 3.695 1.398 -5.601 1.00 0.40 H new ATOM 0 HA ASP A 111 5.933 -0.223 -5.213 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.176 0.217 -7.680 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.321 -1.103 -7.547 1.00 0.50 H new ATOM 893 N LEU A 112 6.464 2.053 -7.538 1.00 0.48 N ATOM 894 CA LEU A 112 7.562 2.677 -8.331 1.00 0.52 C ATOM 895 C LEU A 112 8.615 3.268 -7.386 1.00 0.48 C ATOM 896 O LEU A 112 9.797 3.028 -7.533 1.00 0.47 O ATOM 897 CB LEU A 112 6.964 3.780 -9.229 1.00 0.60 C ATOM 898 CG LEU A 112 7.794 3.951 -10.511 1.00 0.70 C ATOM 899 CD1 LEU A 112 7.062 4.900 -11.462 1.00 1.45 C ATOM 900 CD2 LEU A 112 9.169 4.537 -10.169 1.00 1.26 C ATOM 0 H LEU A 112 5.551 2.498 -7.636 1.00 0.48 H new ATOM 0 HA LEU A 112 8.044 1.925 -8.955 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.936 3.527 -9.487 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.933 4.723 -8.683 1.00 0.60 H new ATOM 0 HG LEU A 112 7.927 2.979 -10.986 1.00 0.70 H new ATOM 0 HD11 LEU A 112 7.647 5.025 -12.373 1.00 1.45 H new ATOM 0 HD12 LEU A 112 6.086 4.484 -11.711 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.931 5.869 -10.980 1.00 1.45 H new ATOM 0 HD21 LEU A 112 9.752 4.655 -11.083 1.00 1.26 H new ATOM 0 HD22 LEU A 112 9.042 5.508 -9.691 1.00 1.26 H new ATOM 0 HD23 LEU A 112 9.692 3.864 -9.490 1.00 1.26 H new ATOM 912 N TRP A 113 8.201 4.033 -6.418 1.00 0.48 N ATOM 913 CA TRP A 113 9.189 4.630 -5.476 1.00 0.48 C ATOM 914 C TRP A 113 10.141 3.538 -4.978 1.00 0.43 C ATOM 915 O TRP A 113 11.343 3.714 -4.953 1.00 0.45 O ATOM 916 CB TRP A 113 8.448 5.253 -4.290 1.00 0.52 C ATOM 917 CG TRP A 113 9.435 5.721 -3.269 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.123 6.884 -3.325 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.855 5.055 -2.044 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.939 6.975 -2.210 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.808 5.871 -1.391 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.503 3.835 -1.444 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.391 5.489 -0.182 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.087 3.445 -0.229 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.029 4.270 0.402 1.00 0.67 C ATOM 0 H TRP A 113 7.226 4.271 -6.237 1.00 0.48 H new ATOM 0 HA TRP A 113 9.764 5.402 -5.987 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.837 6.089 -4.629 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.771 4.522 -3.847 1.00 0.52 H new ATOM 0 HD1 TRP A 113 10.048 7.621 -4.111 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.560 7.761 -2.017 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.778 3.192 -1.921 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.116 6.129 0.299 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.809 2.504 0.223 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.475 3.965 1.337 1.00 0.67 H new ATOM 936 N ILE A 114 9.617 2.409 -4.588 1.00 0.39 N ATOM 937 CA ILE A 114 10.495 1.309 -4.096 1.00 0.37 C ATOM 938 C ILE A 114 11.486 0.903 -5.193 1.00 0.39 C ATOM 939 O ILE A 114 12.607 0.523 -4.919 1.00 0.44 O ATOM 940 CB ILE A 114 9.636 0.103 -3.713 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.559 0.544 -2.720 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.514 -0.969 -3.063 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.624 -0.629 -2.425 1.00 1.00 C ATOM 0 H ILE A 114 8.619 2.200 -4.589 1.00 0.39 H new ATOM 0 HA ILE A 114 11.048 1.655 -3.223 1.00 0.37 H new ATOM 0 HB ILE A 114 9.167 -0.306 -4.608 1.00 0.37 H new ATOM 0 HG12 ILE A 114 9.022 0.894 -1.797 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.992 1.380 -3.130 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.899 -1.827 -2.791 1.00 0.42 H new ATOM 0 HG22 ILE A 114 11.285 -1.283 -3.766 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.984 -0.561 -2.168 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.857 -0.314 -1.717 1.00 1.00 H new ATOM 0 HD12 ILE A 114 7.151 -0.959 -3.350 1.00 1.00 H new ATOM 0 HD13 ILE A 114 8.196 -1.452 -1.997 1.00 1.00 H new ATOM 955 N TYR A 115 11.081 0.967 -6.431 1.00 0.40 N ATOM 956 CA TYR A 115 11.999 0.570 -7.539 1.00 0.46 C ATOM 957 C TYR A 115 13.210 1.520 -7.585 1.00 0.51 C ATOM 958 O TYR A 115 14.346 1.098 -7.520 1.00 0.54 O ATOM 959 CB TYR A 115 11.226 0.623 -8.868 1.00 0.53 C ATOM 960 CG TYR A 115 11.855 -0.308 -9.890 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.887 -1.694 -9.659 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.399 0.213 -11.073 1.00 0.74 C ATOM 963 CE1 TYR A 115 12.461 -2.548 -10.608 1.00 0.65 C ATOM 964 CE2 TYR A 115 12.973 -0.644 -12.019 1.00 0.82 C ATOM 965 CZ TYR A 115 13.003 -2.023 -11.787 1.00 0.77 C ATOM 966 OH TYR A 115 13.567 -2.868 -12.721 1.00 0.87 O ATOM 0 H TYR A 115 10.155 1.277 -6.725 1.00 0.40 H new ATOM 0 HA TYR A 115 12.365 -0.443 -7.372 1.00 0.46 H new ATOM 0 HB2 TYR A 115 10.187 0.340 -8.702 1.00 0.53 H new ATOM 0 HB3 TYR A 115 11.221 1.643 -9.252 1.00 0.53 H new ATOM 0 HD1 TYR A 115 11.469 -2.100 -8.750 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.375 1.277 -11.254 1.00 0.74 H new ATOM 0 HE1 TYR A 115 12.486 -3.613 -10.430 1.00 0.65 H new ATOM 0 HE2 TYR A 115 13.393 -0.240 -12.928 1.00 0.82 H new ATOM 0 HH TYR A 115 13.895 -2.343 -13.481 1.00 0.87 H new ATOM 976 N HIS A 116 12.979 2.797 -7.706 1.00 0.58 N ATOM 977 CA HIS A 116 14.118 3.765 -7.769 1.00 0.67 C ATOM 978 C HIS A 116 14.940 3.721 -6.472 1.00 0.67 C ATOM 979 O HIS A 116 15.964 4.367 -6.367 1.00 0.81 O ATOM 980 CB HIS A 116 13.564 5.181 -7.971 1.00 0.79 C ATOM 981 CG HIS A 116 13.149 5.363 -9.407 1.00 1.20 C ATOM 982 ND1 HIS A 116 13.237 6.587 -10.051 1.00 1.99 N ATOM 983 CD2 HIS A 116 12.650 4.485 -10.337 1.00 2.05 C ATOM 984 CE1 HIS A 116 12.801 6.414 -11.311 1.00 2.71 C ATOM 985 NE2 HIS A 116 12.431 5.151 -11.539 1.00 2.74 N ATOM 0 H HIS A 116 12.051 3.216 -7.764 1.00 0.58 H new ATOM 0 HA HIS A 116 14.766 3.492 -8.602 1.00 0.67 H new ATOM 0 HB2 HIS A 116 12.711 5.346 -7.312 1.00 0.79 H new ATOM 0 HB3 HIS A 116 14.320 5.919 -7.704 1.00 0.79 H new ATOM 0 HD2 HIS A 116 12.457 3.437 -10.162 1.00 2.05 H new ATOM 0 HE1 HIS A 116 12.755 7.201 -12.049 1.00 2.71 H new ATOM 0 HE2 HIS A 116 12.066 4.759 -12.407 1.00 2.74 H new ATOM 993 N THR A 117 14.509 2.976 -5.481 1.00 0.63 N ATOM 994 CA THR A 117 15.279 2.914 -4.193 1.00 0.68 C ATOM 995 C THR A 117 16.117 1.635 -4.131 1.00 0.66 C ATOM 996 O THR A 117 17.215 1.575 -4.648 1.00 0.73 O ATOM 997 CB THR A 117 14.308 2.931 -3.011 1.00 0.80 C ATOM 998 OG1 THR A 117 13.368 1.879 -3.157 1.00 0.85 O ATOM 999 CG2 THR A 117 13.577 4.275 -2.962 1.00 0.91 C ATOM 0 H THR A 117 13.661 2.410 -5.506 1.00 0.63 H new ATOM 0 HA THR A 117 15.941 3.779 -4.144 1.00 0.68 H new ATOM 0 HB THR A 117 14.864 2.793 -2.084 1.00 0.80 H new ATOM 0 HG1 THR A 117 13.477 1.463 -4.038 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.886 4.283 -2.119 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.303 5.080 -2.844 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.021 4.421 -3.888 1.00 0.91 H new ATOM 1007 N GLN A 118 15.617 0.614 -3.484 1.00 0.73 N ATOM 1008 CA GLN A 118 16.398 -0.652 -3.371 1.00 0.83 C ATOM 1009 C GLN A 118 16.253 -1.467 -4.656 1.00 0.72 C ATOM 1010 O GLN A 118 16.918 -2.464 -4.849 1.00 0.91 O ATOM 1011 CB GLN A 118 15.875 -1.462 -2.174 1.00 1.06 C ATOM 1012 CG GLN A 118 16.786 -2.682 -1.900 1.00 1.48 C ATOM 1013 CD GLN A 118 16.303 -3.911 -2.687 1.00 2.12 C ATOM 1014 OE1 GLN A 118 16.777 -5.007 -2.463 1.00 2.89 O ATOM 1015 NE2 GLN A 118 15.379 -3.779 -3.598 1.00 2.13 N ATOM 0 H GLN A 118 14.704 0.603 -3.030 1.00 0.73 H new ATOM 0 HA GLN A 118 17.452 -0.419 -3.220 1.00 0.83 H new ATOM 0 HB2 GLN A 118 15.833 -0.827 -1.289 1.00 1.06 H new ATOM 0 HB3 GLN A 118 14.858 -1.799 -2.373 1.00 1.06 H new ATOM 0 HG2 GLN A 118 17.812 -2.445 -2.180 1.00 1.48 H new ATOM 0 HG3 GLN A 118 16.790 -2.906 -0.833 1.00 1.48 H new ATOM 0 HE21 GLN A 118 14.979 -2.861 -3.789 1.00 2.13 H new ATOM 0 HE22 GLN A 118 15.057 -4.594 -4.119 1.00 2.13 H new ATOM 1024 N GLY A 119 15.405 -1.037 -5.548 1.00 0.86 N ATOM 1025 CA GLY A 119 15.233 -1.775 -6.830 1.00 0.85 C ATOM 1026 C GLY A 119 14.587 -3.137 -6.585 1.00 0.65 C ATOM 1027 O GLY A 119 14.936 -4.114 -7.216 1.00 0.67 O ATOM 0 H GLY A 119 14.823 -0.206 -5.444 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.615 -1.191 -7.512 1.00 0.85 H new ATOM 0 HA3 GLY A 119 16.202 -1.908 -7.312 1.00 0.85 H new ATOM 1031 N TYR A 120 13.631 -3.217 -5.700 1.00 0.54 N ATOM 1032 CA TYR A 120 12.971 -4.530 -5.475 1.00 0.44 C ATOM 1033 C TYR A 120 12.088 -4.810 -6.685 1.00 0.49 C ATOM 1034 O TYR A 120 11.297 -3.982 -7.093 1.00 0.70 O ATOM 1035 CB TYR A 120 12.105 -4.492 -4.208 1.00 0.48 C ATOM 1036 CG TYR A 120 12.968 -4.686 -2.980 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.659 -5.892 -2.793 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.076 -3.665 -2.025 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.456 -6.073 -1.655 1.00 0.71 C ATOM 1040 CE2 TYR A 120 13.872 -3.848 -0.889 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.562 -5.051 -0.704 1.00 0.75 C ATOM 1042 OH TYR A 120 15.346 -5.232 0.417 1.00 0.91 O ATOM 0 H TYR A 120 13.284 -2.443 -5.133 1.00 0.54 H new ATOM 0 HA TYR A 120 13.723 -5.308 -5.346 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.580 -3.539 -4.146 1.00 0.48 H new ATOM 0 HB3 TYR A 120 11.345 -5.272 -4.254 1.00 0.48 H new ATOM 0 HD1 TYR A 120 13.577 -6.681 -3.526 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.544 -2.736 -2.167 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.989 -7.001 -1.511 1.00 0.71 H new ATOM 0 HE2 TYR A 120 13.954 -3.060 -0.155 1.00 0.71 H new ATOM 0 HH TYR A 120 15.311 -4.427 0.974 1.00 0.91 H new ATOM 1052 N PHE A 121 12.220 -5.959 -7.271 1.00 0.48 N ATOM 1053 CA PHE A 121 11.391 -6.268 -8.464 1.00 0.57 C ATOM 1054 C PHE A 121 9.929 -6.443 -8.018 1.00 0.55 C ATOM 1055 O PHE A 121 9.667 -7.079 -7.016 1.00 0.59 O ATOM 1056 CB PHE A 121 11.900 -7.564 -9.111 1.00 0.68 C ATOM 1057 CG PHE A 121 11.448 -7.634 -10.551 1.00 1.42 C ATOM 1058 CD1 PHE A 121 12.138 -6.915 -11.535 1.00 2.32 C ATOM 1059 CD2 PHE A 121 10.340 -8.415 -10.902 1.00 2.33 C ATOM 1060 CE1 PHE A 121 11.722 -6.980 -12.870 1.00 3.44 C ATOM 1061 CE2 PHE A 121 9.925 -8.480 -12.238 1.00 3.43 C ATOM 1062 CZ PHE A 121 10.615 -7.763 -13.222 1.00 3.85 C ATOM 0 H PHE A 121 12.862 -6.696 -6.980 1.00 0.48 H new ATOM 0 HA PHE A 121 11.456 -5.458 -9.190 1.00 0.57 H new ATOM 0 HB2 PHE A 121 12.988 -7.603 -9.060 1.00 0.68 H new ATOM 0 HB3 PHE A 121 11.525 -8.427 -8.561 1.00 0.68 H new ATOM 0 HD1 PHE A 121 12.991 -6.310 -11.264 1.00 2.32 H new ATOM 0 HD2 PHE A 121 9.806 -8.967 -10.143 1.00 2.33 H new ATOM 0 HE1 PHE A 121 12.255 -6.426 -13.629 1.00 3.44 H new ATOM 0 HE2 PHE A 121 9.072 -9.084 -12.509 1.00 3.43 H new ATOM 0 HZ PHE A 121 10.294 -7.813 -14.252 1.00 3.85 H new ATOM 1072 N PRO A 122 8.974 -5.889 -8.734 1.00 0.64 N ATOM 1073 CA PRO A 122 7.537 -6.013 -8.359 1.00 0.67 C ATOM 1074 C PRO A 122 6.976 -7.407 -8.657 1.00 0.73 C ATOM 1075 O PRO A 122 6.602 -7.719 -9.771 1.00 1.19 O ATOM 1076 CB PRO A 122 6.850 -4.944 -9.217 1.00 0.80 C ATOM 1077 CG PRO A 122 7.704 -4.841 -10.439 1.00 1.05 C ATOM 1078 CD PRO A 122 9.140 -5.093 -9.970 1.00 0.87 C ATOM 0 HA PRO A 122 7.378 -5.875 -7.290 1.00 0.67 H new ATOM 0 HB2 PRO A 122 5.829 -5.232 -9.469 1.00 0.80 H new ATOM 0 HB3 PRO A 122 6.791 -3.991 -8.692 1.00 0.80 H new ATOM 0 HG2 PRO A 122 7.404 -5.573 -11.188 1.00 1.05 H new ATOM 0 HG3 PRO A 122 7.610 -3.857 -10.899 1.00 1.05 H new ATOM 0 HD2 PRO A 122 9.716 -5.635 -10.720 1.00 0.87 H new ATOM 0 HD3 PRO A 122 9.667 -4.159 -9.776 1.00 0.87 H new ATOM 1086 N ASP A 123 6.910 -8.235 -7.658 1.00 0.56 N ATOM 1087 CA ASP A 123 6.367 -9.609 -7.836 1.00 0.64 C ATOM 1088 C ASP A 123 5.823 -10.066 -6.487 1.00 0.58 C ATOM 1089 O ASP A 123 5.713 -11.241 -6.202 1.00 0.65 O ATOM 1090 CB ASP A 123 7.485 -10.553 -8.295 1.00 0.74 C ATOM 1091 CG ASP A 123 8.534 -10.692 -7.189 1.00 0.77 C ATOM 1092 OD1 ASP A 123 8.240 -11.342 -6.200 1.00 1.38 O ATOM 1093 OD2 ASP A 123 9.613 -10.147 -7.352 1.00 1.27 O ATOM 0 H ASP A 123 7.214 -8.016 -6.709 1.00 0.56 H new ATOM 0 HA ASP A 123 5.579 -9.618 -8.589 1.00 0.64 H new ATOM 0 HB2 ASP A 123 7.070 -11.531 -8.540 1.00 0.74 H new ATOM 0 HB3 ASP A 123 7.949 -10.167 -9.203 1.00 0.74 H new ATOM 1098 N TRP A 124 5.504 -9.116 -5.645 1.00 0.53 N ATOM 1099 CA TRP A 124 4.982 -9.432 -4.282 1.00 0.52 C ATOM 1100 C TRP A 124 3.757 -8.570 -3.982 1.00 0.51 C ATOM 1101 O TRP A 124 2.958 -8.870 -3.118 1.00 0.55 O ATOM 1102 CB TRP A 124 6.077 -9.107 -3.267 1.00 0.49 C ATOM 1103 CG TRP A 124 6.369 -7.639 -3.335 1.00 0.43 C ATOM 1104 CD1 TRP A 124 7.275 -7.054 -4.158 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.744 -6.558 -2.585 1.00 0.42 C ATOM 1106 NE1 TRP A 124 7.255 -5.688 -3.945 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.327 -5.333 -2.988 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.741 -6.524 -1.599 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.926 -4.118 -2.433 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.336 -5.301 -1.040 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.928 -4.102 -1.457 1.00 0.55 C ATOM 0 H TRP A 124 5.585 -8.120 -5.848 1.00 0.53 H new ATOM 0 HA TRP A 124 4.701 -10.484 -4.227 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.756 -9.383 -2.263 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.977 -9.682 -3.484 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.908 -7.571 -4.864 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.854 -5.024 -4.436 1.00 0.42 H new ATOM 0 HE3 TRP A 124 4.280 -7.444 -1.270 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.385 -3.195 -2.756 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 3.564 -5.285 -0.285 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.612 -3.165 -1.023 1.00 0.55 H new ATOM 1122 N GLN A 125 3.625 -7.494 -4.688 1.00 0.53 N ATOM 1123 CA GLN A 125 2.473 -6.575 -4.461 1.00 0.60 C ATOM 1124 C GLN A 125 1.203 -7.179 -5.070 1.00 0.66 C ATOM 1125 O GLN A 125 0.655 -6.664 -6.024 1.00 0.84 O ATOM 1126 CB GLN A 125 2.772 -5.207 -5.102 1.00 0.69 C ATOM 1127 CG GLN A 125 3.593 -5.394 -6.386 1.00 1.56 C ATOM 1128 CD GLN A 125 2.932 -6.445 -7.280 1.00 2.18 C ATOM 1129 OE1 GLN A 125 2.096 -6.122 -8.100 1.00 2.78 O ATOM 1130 NE2 GLN A 125 3.273 -7.698 -7.156 1.00 2.82 N ATOM 0 H GLN A 125 4.269 -7.202 -5.423 1.00 0.53 H new ATOM 0 HA GLN A 125 2.320 -6.440 -3.390 1.00 0.60 H new ATOM 0 HB2 GLN A 125 1.839 -4.692 -5.330 1.00 0.69 H new ATOM 0 HB3 GLN A 125 3.320 -4.579 -4.399 1.00 0.69 H new ATOM 0 HG2 GLN A 125 3.670 -4.447 -6.920 1.00 1.56 H new ATOM 0 HG3 GLN A 125 4.608 -5.703 -6.137 1.00 1.56 H new ATOM 0 HE21 GLN A 125 3.975 -7.970 -6.468 1.00 2.82 H new ATOM 0 HE22 GLN A 125 2.838 -8.406 -7.747 1.00 2.82 H new ATOM 1139 N ASN A 126 0.730 -8.265 -4.512 1.00 0.64 N ATOM 1140 CA ASN A 126 -0.511 -8.922 -5.034 1.00 0.72 C ATOM 1141 C ASN A 126 -1.612 -8.809 -3.977 1.00 0.69 C ATOM 1142 O ASN A 126 -1.355 -8.475 -2.838 1.00 1.22 O ATOM 1143 CB ASN A 126 -0.214 -10.396 -5.317 1.00 0.84 C ATOM 1144 CG ASN A 126 0.932 -10.502 -6.326 1.00 0.89 C ATOM 1145 OD1 ASN A 126 0.839 -11.229 -7.295 1.00 1.53 O ATOM 1146 ND2 ASN A 126 2.019 -9.803 -6.139 1.00 0.88 N ATOM 0 H ASN A 126 1.154 -8.730 -3.709 1.00 0.64 H new ATOM 0 HA ASN A 126 -0.837 -8.436 -5.954 1.00 0.72 H new ATOM 0 HB2 ASN A 126 0.053 -10.908 -4.393 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -1.104 -10.889 -5.709 1.00 0.84 H new ATOM 0 HD21 ASN A 126 2.788 -9.868 -6.806 1.00 0.88 H new ATOM 0 HD22 ASN A 126 2.099 -9.192 -5.326 1.00 0.88 H new ATOM 1153 N TYR A 127 -2.840 -9.082 -4.339 1.00 0.69 N ATOM 1154 CA TYR A 127 -3.956 -8.972 -3.348 1.00 0.61 C ATOM 1155 C TYR A 127 -5.160 -9.780 -3.849 1.00 0.63 C ATOM 1156 O TYR A 127 -5.197 -10.224 -4.979 1.00 0.75 O ATOM 1157 CB TYR A 127 -4.390 -7.493 -3.189 1.00 0.65 C ATOM 1158 CG TYR A 127 -3.231 -6.557 -3.443 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -2.984 -6.083 -4.736 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -2.416 -6.156 -2.385 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -1.918 -5.204 -4.966 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -1.349 -5.281 -2.611 1.00 1.19 C ATOM 1163 CZ TYR A 127 -1.100 -4.804 -3.903 1.00 1.23 C ATOM 1164 OH TYR A 127 -0.049 -3.939 -4.127 1.00 1.48 O ATOM 0 H TYR A 127 -3.119 -9.376 -5.275 1.00 0.69 H new ATOM 0 HA TYR A 127 -3.610 -9.356 -2.388 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -5.200 -7.271 -3.884 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -4.779 -7.331 -2.184 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -3.614 -6.394 -5.556 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -2.610 -6.522 -1.388 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -1.727 -4.835 -5.963 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -0.718 -4.974 -1.790 1.00 1.19 H new ATOM 0 HH TYR A 127 -0.016 -3.704 -5.078 1.00 1.48 H new ATOM 1174 N THR A 128 -6.145 -9.966 -3.012 1.00 0.62 N ATOM 1175 CA THR A 128 -7.346 -10.734 -3.436 1.00 0.68 C ATOM 1176 C THR A 128 -8.076 -9.957 -4.543 1.00 0.75 C ATOM 1177 O THR A 128 -8.049 -8.742 -4.560 1.00 0.97 O ATOM 1178 CB THR A 128 -8.283 -10.913 -2.238 1.00 0.86 C ATOM 1179 OG1 THR A 128 -8.656 -9.636 -1.739 1.00 1.22 O ATOM 1180 CG2 THR A 128 -7.567 -11.702 -1.141 1.00 0.90 C ATOM 0 H THR A 128 -6.168 -9.618 -2.053 1.00 0.62 H new ATOM 0 HA THR A 128 -7.044 -11.712 -3.811 1.00 0.68 H new ATOM 0 HB THR A 128 -9.174 -11.458 -2.550 1.00 0.86 H new ATOM 0 HG1 THR A 128 -9.257 -9.747 -0.973 1.00 1.22 H new ATOM 0 HG21 THR A 128 -8.235 -11.829 -0.289 1.00 0.90 H new ATOM 0 HG22 THR A 128 -7.279 -12.681 -1.525 1.00 0.90 H new ATOM 0 HG23 THR A 128 -6.676 -11.160 -0.826 1.00 0.90 H new ATOM 1249 N ARG A 134 -9.359 -4.950 0.643 1.00 0.51 N ATOM 1250 CA ARG A 134 -8.262 -5.648 -0.095 1.00 0.49 C ATOM 1251 C ARG A 134 -7.273 -6.261 0.898 1.00 0.40 C ATOM 1252 O ARG A 134 -6.480 -5.561 1.510 1.00 0.38 O ATOM 1253 CB ARG A 134 -7.502 -4.684 -1.024 1.00 0.58 C ATOM 1254 CG ARG A 134 -8.468 -3.715 -1.725 1.00 1.06 C ATOM 1255 CD ARG A 134 -9.284 -4.453 -2.794 1.00 1.37 C ATOM 1256 NE ARG A 134 -9.847 -3.464 -3.755 1.00 1.86 N ATOM 1257 CZ ARG A 134 -10.302 -3.862 -4.912 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -10.249 -5.125 -5.233 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -10.801 -2.996 -5.750 1.00 3.36 N ATOM 0 HA ARG A 134 -8.720 -6.428 -0.703 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -6.770 -4.119 -0.447 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -6.948 -5.254 -1.770 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -9.139 -3.266 -0.992 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -7.907 -2.901 -2.184 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -8.652 -5.169 -3.320 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -10.088 -5.021 -2.326 1.00 1.37 H new ATOM 0 HE ARG A 134 -9.877 -2.475 -3.509 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -9.852 -5.801 -4.580 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -10.604 -5.437 -6.137 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -10.836 -2.007 -5.501 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -11.156 -3.307 -6.654 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.301 -7.562 1.040 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.347 -8.243 1.960 1.00 0.39 C ATOM 1275 C TYR A 135 -5.086 -8.591 1.153 1.00 0.36 C ATOM 1276 O TYR A 135 -5.181 -8.920 -0.012 1.00 0.39 O ATOM 1277 CB TYR A 135 -6.974 -9.535 2.495 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.065 -9.202 3.484 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -7.754 -9.027 4.838 1.00 0.66 C ATOM 1280 CD2 TYR A 135 -9.388 -9.075 3.047 1.00 0.72 C ATOM 1281 CE1 TYR A 135 -8.766 -8.723 5.755 1.00 0.85 C ATOM 1282 CE2 TYR A 135 -10.402 -8.772 3.965 1.00 0.91 C ATOM 1283 CZ TYR A 135 -10.091 -8.596 5.319 1.00 0.92 C ATOM 1284 OH TYR A 135 -11.090 -8.297 6.223 1.00 1.17 O ATOM 0 H TYR A 135 -7.948 -8.183 0.554 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.104 -7.594 2.801 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.383 -10.120 1.671 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.211 -10.149 2.974 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -6.733 -9.127 5.175 1.00 0.66 H new ATOM 0 HD2 TYR A 135 -9.627 -9.210 2.003 1.00 0.72 H new ATOM 0 HE1 TYR A 135 -8.526 -8.586 6.799 1.00 0.85 H new ATOM 0 HE2 TYR A 135 -11.424 -8.674 3.628 1.00 0.91 H new ATOM 0 HH TYR A 135 -11.949 -8.244 5.755 1.00 1.17 H new ATOM 1294 N PRO A 136 -3.915 -8.527 1.740 1.00 0.37 N ATOM 1295 CA PRO A 136 -2.653 -8.851 1.012 1.00 0.38 C ATOM 1296 C PRO A 136 -2.434 -10.354 0.843 1.00 0.37 C ATOM 1297 O PRO A 136 -2.420 -11.094 1.805 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.564 -8.264 1.917 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.138 -8.348 3.296 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.649 -8.141 3.140 1.00 0.44 C ATOM 0 HA PRO A 136 -2.662 -8.449 -0.001 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.635 -8.829 1.838 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.334 -7.234 1.645 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -1.922 -9.315 3.750 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.705 -7.587 3.945 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.212 -8.759 3.839 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -3.933 -7.106 3.330 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.217 -10.811 -0.359 1.00 0.40 N ATOM 1309 CA LEU A 137 -1.950 -12.261 -0.531 1.00 0.43 C ATOM 1310 C LEU A 137 -0.673 -12.554 0.253 1.00 0.41 C ATOM 1311 O LEU A 137 -0.532 -13.581 0.887 1.00 0.38 O ATOM 1312 CB LEU A 137 -1.751 -12.595 -2.018 1.00 0.51 C ATOM 1313 CG LEU A 137 -3.116 -12.814 -2.703 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -2.961 -12.629 -4.215 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -3.639 -14.235 -2.427 1.00 0.92 C ATOM 0 H LEU A 137 -2.213 -10.254 -1.213 1.00 0.40 H new ATOM 0 HA LEU A 137 -2.784 -12.864 -0.172 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.214 -11.785 -2.511 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -1.138 -13.491 -2.118 1.00 0.51 H new ATOM 0 HG LEU A 137 -3.825 -12.089 -2.303 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -3.924 -12.783 -4.701 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -2.607 -11.619 -4.424 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -2.241 -13.352 -4.598 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -4.603 -14.370 -2.918 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -2.929 -14.966 -2.814 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -3.757 -14.377 -1.353 1.00 0.92 H new ATOM 1327 N THR A 138 0.247 -11.623 0.234 1.00 0.50 N ATOM 1328 CA THR A 138 1.511 -11.797 0.997 1.00 0.55 C ATOM 1329 C THR A 138 1.187 -11.733 2.489 1.00 0.47 C ATOM 1330 O THR A 138 0.100 -11.356 2.881 1.00 0.50 O ATOM 1331 CB THR A 138 2.495 -10.675 0.627 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.775 -9.471 0.410 1.00 0.98 O ATOM 1333 CG2 THR A 138 3.256 -11.051 -0.647 1.00 1.04 C ATOM 0 H THR A 138 0.172 -10.746 -0.282 1.00 0.50 H new ATOM 0 HA THR A 138 1.967 -12.757 0.757 1.00 0.55 H new ATOM 0 HB THR A 138 3.206 -10.536 1.441 1.00 0.73 H new ATOM 0 HG1 THR A 138 2.400 -8.754 0.176 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.952 -10.252 -0.904 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.810 -11.975 -0.481 1.00 1.04 H new ATOM 0 HG23 THR A 138 2.549 -11.194 -1.464 1.00 1.04 H new ATOM 1341 N PHE A 139 2.115 -12.111 3.324 1.00 0.51 N ATOM 1342 CA PHE A 139 1.868 -12.093 4.799 1.00 0.49 C ATOM 1343 C PHE A 139 2.515 -10.871 5.450 1.00 0.65 C ATOM 1344 O PHE A 139 1.861 -10.018 6.013 1.00 1.43 O ATOM 1345 CB PHE A 139 2.467 -13.366 5.402 1.00 0.52 C ATOM 1346 CG PHE A 139 2.063 -13.497 6.851 1.00 0.50 C ATOM 1347 CD1 PHE A 139 2.799 -12.840 7.842 1.00 0.59 C ATOM 1348 CD2 PHE A 139 0.960 -14.287 7.207 1.00 0.67 C ATOM 1349 CE1 PHE A 139 2.436 -12.968 9.187 1.00 0.62 C ATOM 1350 CE2 PHE A 139 0.598 -14.416 8.552 1.00 0.77 C ATOM 1351 CZ PHE A 139 1.336 -13.757 9.542 1.00 0.66 C ATOM 0 H PHE A 139 3.042 -12.435 3.048 1.00 0.51 H new ATOM 0 HA PHE A 139 0.794 -12.045 4.981 1.00 0.49 H new ATOM 0 HB2 PHE A 139 2.127 -14.237 4.842 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.554 -13.339 5.321 1.00 0.52 H new ATOM 0 HD1 PHE A 139 3.649 -12.233 7.569 1.00 0.59 H new ATOM 0 HD2 PHE A 139 0.391 -14.795 6.443 1.00 0.67 H new ATOM 0 HE1 PHE A 139 3.004 -12.458 9.951 1.00 0.62 H new ATOM 0 HE2 PHE A 139 -0.251 -15.024 8.827 1.00 0.77 H new ATOM 0 HZ PHE A 139 1.056 -13.857 10.580 1.00 0.66 H new ATOM 1361 N GLY A 140 3.797 -10.827 5.402 1.00 0.46 N ATOM 1362 CA GLY A 140 4.568 -9.719 6.046 1.00 0.43 C ATOM 1363 C GLY A 140 4.035 -8.327 5.674 1.00 0.35 C ATOM 1364 O GLY A 140 4.282 -7.367 6.377 1.00 0.32 O ATOM 0 H GLY A 140 4.374 -11.526 4.933 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.532 -9.839 7.129 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.615 -9.792 5.752 1.00 0.43 H new ATOM 1368 N TRP A 141 3.329 -8.182 4.586 1.00 0.34 N ATOM 1369 CA TRP A 141 2.826 -6.816 4.216 1.00 0.29 C ATOM 1370 C TRP A 141 1.622 -6.461 5.097 1.00 0.32 C ATOM 1371 O TRP A 141 0.512 -6.900 4.871 1.00 0.40 O ATOM 1372 CB TRP A 141 2.460 -6.795 2.723 1.00 0.33 C ATOM 1373 CG TRP A 141 2.202 -5.393 2.223 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.106 -5.040 1.507 1.00 0.35 C ATOM 1375 CD2 TRP A 141 3.014 -4.168 2.343 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.180 -3.699 1.189 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.326 -3.116 1.681 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.256 -3.855 2.950 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.839 -1.820 1.624 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.769 -2.547 2.890 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.062 -1.534 2.230 1.00 0.33 C ATOM 0 H TRP A 141 3.079 -8.933 3.943 1.00 0.34 H new ATOM 0 HA TRP A 141 3.601 -6.068 4.385 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.269 -7.243 2.145 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.573 -7.407 2.558 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.301 -5.704 1.229 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.470 -3.199 0.653 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.812 -4.626 3.462 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.292 -1.042 1.113 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.716 -2.322 3.357 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.464 -0.532 2.190 1.00 0.33 H new ATOM 1392 N CYS A 142 1.861 -5.679 6.122 1.00 0.31 N ATOM 1393 CA CYS A 142 0.779 -5.288 7.066 1.00 0.40 C ATOM 1394 C CYS A 142 -0.007 -4.092 6.535 1.00 0.39 C ATOM 1395 O CYS A 142 -0.136 -3.076 7.192 1.00 0.48 O ATOM 1396 CB CYS A 142 1.418 -4.934 8.395 1.00 0.47 C ATOM 1397 SG CYS A 142 2.514 -6.283 8.907 1.00 1.45 S ATOM 0 H CYS A 142 2.778 -5.291 6.344 1.00 0.31 H new ATOM 0 HA CYS A 142 0.082 -6.118 7.182 1.00 0.40 H new ATOM 0 HB2 CYS A 142 1.982 -4.006 8.305 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.649 -4.768 9.149 1.00 0.47 H new ATOM 0 HG CYS A 142 3.247 -6.653 7.899 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.535 -4.220 5.357 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.340 -3.121 4.728 1.00 0.40 C ATOM 1405 C TYR A 143 -2.806 -3.593 4.567 1.00 0.43 C ATOM 1406 O TYR A 143 -3.074 -4.708 4.177 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.641 -2.754 3.379 1.00 0.55 C ATOM 1408 CG TYR A 143 -1.478 -3.119 2.162 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -1.870 -4.442 1.967 1.00 2.16 C ATOM 1410 CD2 TYR A 143 -1.858 -2.142 1.237 1.00 2.17 C ATOM 1411 CE1 TYR A 143 -2.645 -4.793 0.861 1.00 3.14 C ATOM 1412 CE2 TYR A 143 -2.637 -2.488 0.126 1.00 3.14 C ATOM 1413 CZ TYR A 143 -3.035 -3.815 -0.059 1.00 3.52 C ATOM 1414 OH TYR A 143 -3.802 -4.161 -1.154 1.00 4.57 O ATOM 0 H TYR A 143 -0.445 -5.058 4.782 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.381 -2.221 5.342 1.00 0.40 H new ATOM 0 HB2 TYR A 143 -0.432 -1.684 3.363 1.00 0.55 H new ATOM 0 HB3 TYR A 143 0.319 -3.267 3.321 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.572 -5.200 2.676 1.00 2.16 H new ATOM 0 HD2 TYR A 143 -1.550 -1.117 1.380 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -2.944 -5.821 0.716 1.00 3.14 H new ATOM 0 HE2 TYR A 143 -2.930 -1.731 -0.587 1.00 3.14 H new ATOM 0 HH TYR A 143 -3.224 -4.527 -1.856 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.765 -2.769 4.922 1.00 0.39 N ATOM 1425 CA LYS A 144 -5.204 -3.194 4.807 1.00 0.51 C ATOM 1426 C LYS A 144 -6.048 -2.083 4.177 1.00 0.43 C ATOM 1427 O LYS A 144 -6.369 -1.108 4.826 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.756 -3.514 6.198 1.00 0.70 C ATOM 1429 CG LYS A 144 -7.087 -4.264 6.061 1.00 1.21 C ATOM 1430 CD LYS A 144 -7.867 -4.189 7.380 1.00 1.24 C ATOM 1431 CE LYS A 144 -7.062 -4.847 8.507 1.00 1.57 C ATOM 1432 NZ LYS A 144 -7.996 -5.310 9.571 1.00 2.32 N ATOM 0 H LYS A 144 -3.618 -1.827 5.284 1.00 0.39 H new ATOM 0 HA LYS A 144 -5.253 -4.078 4.172 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -5.041 -4.120 6.754 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -5.902 -2.594 6.764 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -7.678 -3.830 5.254 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -6.902 -5.305 5.796 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -8.074 -3.149 7.630 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -8.830 -4.688 7.271 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -6.490 -5.689 8.117 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -6.345 -4.138 8.920 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -7.454 -5.757 10.338 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -8.523 -4.497 9.948 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -8.664 -6.000 9.171 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.453 -2.219 2.936 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.318 -1.150 2.343 1.00 0.37 C ATOM 1448 C LEU A 145 -8.734 -1.356 2.883 1.00 0.38 C ATOM 1449 O LEU A 145 -9.196 -2.475 2.987 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.335 -1.244 0.815 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.968 -0.838 0.236 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.942 -1.156 -1.264 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.719 0.670 0.450 1.00 0.52 C ATOM 0 H LEU A 145 -6.229 -3.002 2.322 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.930 -0.168 2.612 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.578 -2.262 0.510 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -8.114 -0.596 0.413 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.184 -1.397 0.748 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.976 -0.870 -1.680 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -6.099 -2.224 -1.412 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.732 -0.600 -1.768 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -4.748 0.941 0.035 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.500 1.242 -0.050 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -5.733 0.893 1.517 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.428 -0.301 3.236 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.807 -0.472 3.797 1.00 0.50 C ATOM 1467 C VAL A 146 -11.661 0.783 3.516 1.00 0.59 C ATOM 1468 O VAL A 146 -11.252 1.882 3.834 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.701 -0.610 5.324 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -12.093 -0.825 5.921 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.796 -1.787 5.696 1.00 0.56 C ATOM 0 H VAL A 146 -9.104 0.663 3.161 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.264 -1.349 3.339 1.00 0.50 H new ATOM 0 HB VAL A 146 -10.268 0.306 5.726 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -12.013 -0.922 7.004 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.728 0.027 5.679 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.530 -1.733 5.506 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.733 -1.869 6.781 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.210 -2.708 5.286 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.799 -1.623 5.286 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.850 0.637 2.955 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.748 1.798 2.685 1.00 0.81 C ATOM 1483 C PRO A 147 -14.590 2.152 3.919 1.00 0.91 C ATOM 1484 O PRO A 147 -15.609 1.543 4.181 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.641 1.280 1.563 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.807 -0.173 1.875 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.479 -0.626 2.504 1.00 0.75 C ATOM 0 HA PRO A 147 -13.203 2.707 2.430 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.601 1.797 1.546 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.181 1.429 0.586 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.638 -0.332 2.562 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.026 -0.743 0.972 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.644 -1.310 3.337 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.852 -1.149 1.781 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.456 4.343 -0.943 1.00 0.58 N ATOM 1781 CA LEU A 181 -10.003 3.408 0.147 1.00 0.52 C ATOM 1782 C LEU A 181 -8.859 4.030 0.957 1.00 0.47 C ATOM 1783 O LEU A 181 -7.968 4.641 0.415 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.506 2.102 -0.485 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.492 1.632 -1.560 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -9.976 0.337 -2.189 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.864 1.380 -0.926 1.00 0.87 C ATOM 0 HA LEU A 181 -10.845 3.217 0.812 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.520 2.253 -0.925 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.398 1.335 0.282 1.00 0.60 H new ATOM 0 HG LEU A 181 -10.585 2.400 -2.328 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -10.675 0.000 -2.954 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.001 0.516 -2.642 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -9.883 -0.429 -1.420 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.563 1.046 -1.693 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.774 0.612 -0.157 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.232 2.302 -0.476 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.879 3.866 2.259 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.788 4.428 3.122 1.00 0.45 C ATOM 1801 C GLU A 182 -6.835 3.322 3.571 1.00 0.42 C ATOM 1802 O GLU A 182 -7.242 2.242 3.955 1.00 0.43 O ATOM 1803 CB GLU A 182 -8.404 5.105 4.350 1.00 0.49 C ATOM 1804 CG GLU A 182 -9.487 4.204 4.941 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.918 4.752 6.302 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -10.491 5.829 6.330 1.00 1.62 O ATOM 1807 OE2 GLU A 182 -9.667 4.088 7.293 1.00 1.49 O ATOM 0 H GLU A 182 -9.609 3.364 2.765 1.00 0.45 H new ATOM 0 HA GLU A 182 -7.225 5.159 2.542 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -7.633 5.301 5.095 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.830 6.069 4.071 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -10.343 4.157 4.268 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -9.110 3.187 5.049 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.558 3.606 3.527 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.538 2.608 3.952 1.00 0.38 C ATOM 1816 C TRP A 183 -4.535 2.485 5.473 1.00 0.37 C ATOM 1817 O TRP A 183 -4.078 3.365 6.176 1.00 0.43 O ATOM 1818 CB TRP A 183 -3.141 3.063 3.472 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.824 2.480 2.132 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.570 1.176 1.917 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.698 3.142 0.841 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.290 0.987 0.575 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.359 2.171 -0.132 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.842 4.473 0.424 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -2.169 2.514 -1.472 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.653 4.823 -0.922 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -2.317 3.846 -1.868 1.00 0.41 C ATOM 0 H TRP A 183 -5.177 4.498 3.211 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.780 1.640 3.513 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -3.107 4.151 3.417 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.385 2.756 4.195 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.583 0.402 2.670 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -2.061 0.084 0.159 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -3.100 5.235 1.144 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.910 1.756 -2.197 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.767 5.852 -1.230 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -2.173 4.122 -2.902 1.00 0.41 H new ATOM 1838 N ARG A 184 -5.012 1.385 5.982 1.00 0.35 N ATOM 1839 CA ARG A 184 -5.007 1.179 7.455 1.00 0.35 C ATOM 1840 C ARG A 184 -3.769 0.358 7.810 1.00 0.31 C ATOM 1841 O ARG A 184 -3.763 -0.856 7.722 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.276 0.424 7.876 1.00 0.40 C ATOM 1843 CG ARG A 184 -7.490 1.374 7.871 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.604 2.098 9.219 1.00 1.51 C ATOM 1845 NE ARG A 184 -8.131 1.156 10.246 1.00 1.57 N ATOM 1846 CZ ARG A 184 -8.015 1.443 11.512 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -7.439 2.556 11.879 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -8.474 0.618 12.413 1.00 2.61 N ATOM 0 H ARG A 184 -5.407 0.617 5.439 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.986 2.137 7.975 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.454 -0.409 7.196 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.142 -0.000 8.871 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -7.387 2.102 7.067 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -8.402 0.809 7.675 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -6.629 2.477 9.524 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -8.266 2.959 9.126 1.00 1.51 H new ATOM 0 HE ARG A 184 -8.582 0.287 9.959 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -7.080 3.201 11.175 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -7.348 2.781 12.870 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -8.924 -0.252 12.126 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -8.383 0.843 13.404 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.716 1.022 8.193 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.458 0.307 8.549 1.00 0.31 C ATOM 1864 C PHE A 185 -1.696 -0.504 9.832 1.00 0.31 C ATOM 1865 O PHE A 185 -2.351 -0.052 10.750 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.347 1.365 8.749 1.00 0.40 C ATOM 1867 CG PHE A 185 0.694 0.902 9.749 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.416 0.963 11.120 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.935 0.428 9.307 1.00 0.62 C ATOM 1870 CE1 PHE A 185 1.377 0.548 12.049 1.00 0.75 C ATOM 1871 CE2 PHE A 185 2.897 0.015 10.237 1.00 0.74 C ATOM 1872 CZ PHE A 185 2.618 0.074 11.607 1.00 0.71 C ATOM 0 H PHE A 185 -2.672 2.038 8.276 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.153 -0.383 7.762 1.00 0.31 H new ATOM 0 HB2 PHE A 185 0.134 1.573 7.793 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.791 2.299 9.092 1.00 0.40 H new ATOM 0 HD1 PHE A 185 -0.541 1.331 11.461 1.00 0.65 H new ATOM 0 HD2 PHE A 185 2.150 0.381 8.250 1.00 0.62 H new ATOM 0 HE1 PHE A 185 1.161 0.593 13.106 1.00 0.75 H new ATOM 0 HE2 PHE A 185 3.855 -0.349 9.897 1.00 0.74 H new ATOM 0 HZ PHE A 185 3.360 -0.246 12.323 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.181 -1.705 9.894 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.388 -2.549 11.101 1.00 0.32 C ATOM 1884 C ASP A 186 -0.223 -3.536 11.235 1.00 0.30 C ATOM 1885 O ASP A 186 -0.406 -4.734 11.148 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.694 -3.319 10.920 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.195 -3.829 12.274 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -3.176 -3.059 13.219 1.00 1.23 O ATOM 1889 OD2 ASP A 186 -3.590 -4.981 12.340 1.00 1.16 O ATOM 0 H ASP A 186 -0.624 -2.136 9.156 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.435 -1.931 11.998 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.446 -2.674 10.465 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.540 -4.158 10.241 1.00 0.37 H new ATOM 1894 N SER A 187 0.969 -3.029 11.438 1.00 0.33 N ATOM 1895 CA SER A 187 2.177 -3.906 11.572 1.00 0.34 C ATOM 1896 C SER A 187 1.849 -5.161 12.397 1.00 0.35 C ATOM 1897 O SER A 187 2.568 -6.139 12.359 1.00 0.37 O ATOM 1898 CB SER A 187 3.291 -3.113 12.264 1.00 0.40 C ATOM 1899 OG SER A 187 2.726 -2.306 13.289 1.00 1.32 O ATOM 0 H SER A 187 1.160 -2.030 11.518 1.00 0.33 H new ATOM 0 HA SER A 187 2.500 -4.222 10.580 1.00 0.34 H new ATOM 0 HB2 SER A 187 4.029 -3.794 12.687 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.813 -2.488 11.539 1.00 0.40 H new ATOM 0 HG SER A 187 2.306 -1.516 12.889 1.00 1.32 H new ATOM 1905 N ARG A 188 0.774 -5.146 13.137 1.00 0.40 N ATOM 1906 CA ARG A 188 0.415 -6.344 13.950 1.00 0.46 C ATOM 1907 C ARG A 188 0.133 -7.518 13.003 1.00 0.42 C ATOM 1908 O ARG A 188 0.095 -8.663 13.411 1.00 0.43 O ATOM 1909 CB ARG A 188 -0.843 -6.038 14.786 1.00 0.58 C ATOM 1910 CG ARG A 188 -0.481 -5.252 16.062 1.00 1.40 C ATOM 1911 CD ARG A 188 -0.332 -3.760 15.741 1.00 1.75 C ATOM 1912 NE ARG A 188 -1.662 -3.196 15.371 1.00 2.37 N ATOM 1913 CZ ARG A 188 -1.839 -1.903 15.339 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -0.851 -1.101 15.629 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -3.004 -1.412 15.016 1.00 3.87 N ATOM 0 H ARG A 188 0.130 -4.359 13.214 1.00 0.40 H new ATOM 0 HA ARG A 188 1.236 -6.600 14.620 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.550 -5.462 14.188 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -1.339 -6.970 15.057 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -1.255 -5.393 16.817 1.00 1.40 H new ATOM 0 HG3 ARG A 188 0.449 -5.635 16.483 1.00 1.40 H new ATOM 0 HD2 ARG A 188 0.072 -3.230 16.603 1.00 1.75 H new ATOM 0 HD3 ARG A 188 0.374 -3.622 14.922 1.00 1.75 H new ATOM 0 HE ARG A 188 -2.435 -3.822 15.143 1.00 2.37 H new ATOM 0 HH11 ARG A 188 0.060 -1.484 15.881 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -0.990 -0.091 15.604 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -3.776 -2.038 14.789 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -3.142 -0.402 14.991 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.051 -7.241 11.741 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.316 -8.333 10.760 1.00 0.46 C ATOM 1931 C LEU A 189 0.914 -9.245 10.706 1.00 0.41 C ATOM 1932 O LEU A 189 0.956 -10.210 9.970 1.00 0.46 O ATOM 1933 CB LEU A 189 -0.582 -7.716 9.362 1.00 0.57 C ATOM 1934 CG LEU A 189 -1.765 -8.430 8.666 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -3.085 -7.835 9.156 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -1.683 -8.248 7.143 1.00 1.78 C ATOM 0 H LEU A 189 -0.029 -6.301 11.345 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.190 -8.911 11.061 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -0.801 -6.653 9.464 1.00 0.57 H new ATOM 0 HB3 LEU A 189 0.313 -7.799 8.746 1.00 0.57 H new ATOM 0 HG LEU A 189 -1.715 -9.492 8.908 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -3.916 -8.340 8.664 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -3.166 -7.969 10.235 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -3.115 -6.771 8.919 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -2.523 -8.757 6.670 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -1.719 -7.186 6.901 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -0.748 -8.672 6.776 1.00 1.78 H new ATOM 1948 N ALA A 190 1.921 -8.927 11.470 1.00 0.37 N ATOM 1949 CA ALA A 190 3.155 -9.752 11.456 1.00 0.42 C ATOM 1950 C ALA A 190 2.898 -11.076 12.175 1.00 0.44 C ATOM 1951 O ALA A 190 3.744 -11.948 12.196 1.00 0.53 O ATOM 1952 CB ALA A 190 4.275 -8.996 12.171 1.00 0.47 C ATOM 0 H ALA A 190 1.940 -8.129 12.104 1.00 0.37 H new ATOM 0 HA ALA A 190 3.445 -9.952 10.425 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.183 -9.598 12.163 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.461 -8.052 11.659 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.980 -8.798 13.201 1.00 0.47 H new ATOM 1958 N PHE A 191 1.738 -11.240 12.768 1.00 0.42 N ATOM 1959 CA PHE A 191 1.444 -12.526 13.488 1.00 0.51 C ATOM 1960 C PHE A 191 -0.019 -12.943 13.296 1.00 0.56 C ATOM 1961 O PHE A 191 -0.476 -13.895 13.896 1.00 0.96 O ATOM 1962 CB PHE A 191 1.742 -12.360 14.982 1.00 0.58 C ATOM 1963 CG PHE A 191 0.737 -11.425 15.614 1.00 1.14 C ATOM 1964 CD1 PHE A 191 -0.452 -11.935 16.150 1.00 1.98 C ATOM 1965 CD2 PHE A 191 1.000 -10.051 15.674 1.00 1.81 C ATOM 1966 CE1 PHE A 191 -1.378 -11.070 16.747 1.00 2.87 C ATOM 1967 CE2 PHE A 191 0.074 -9.187 16.269 1.00 2.75 C ATOM 1968 CZ PHE A 191 -1.115 -9.696 16.805 1.00 3.15 C ATOM 0 H PHE A 191 0.988 -10.549 12.786 1.00 0.42 H new ATOM 0 HA PHE A 191 2.080 -13.306 13.070 1.00 0.51 H new ATOM 0 HB2 PHE A 191 1.708 -13.331 15.477 1.00 0.58 H new ATOM 0 HB3 PHE A 191 2.750 -11.968 15.118 1.00 0.58 H new ATOM 0 HD1 PHE A 191 -0.655 -12.995 16.103 1.00 1.98 H new ATOM 0 HD2 PHE A 191 1.917 -9.658 15.261 1.00 1.81 H new ATOM 0 HE1 PHE A 191 -2.294 -11.463 17.162 1.00 2.87 H new ATOM 0 HE2 PHE A 191 0.277 -8.127 16.315 1.00 2.75 H new ATOM 0 HZ PHE A 191 -1.830 -9.029 17.263 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.763 -12.257 12.469 1.00 0.64 N ATOM 1979 CA HIS A 192 -2.189 -12.656 12.270 1.00 0.72 C ATOM 1980 C HIS A 192 -2.247 -13.933 11.416 1.00 0.67 C ATOM 1981 O HIS A 192 -1.323 -14.721 11.395 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.968 -11.507 11.593 1.00 1.01 C ATOM 1983 CG HIS A 192 -2.843 -11.581 10.090 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -3.858 -11.166 9.242 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -1.837 -12.039 9.275 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -3.444 -11.381 7.979 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -2.219 -11.913 7.943 1.00 3.35 N ATOM 0 H HIS A 192 -0.452 -11.449 11.929 1.00 0.64 H new ATOM 0 HA HIS A 192 -2.652 -12.858 13.236 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -4.019 -11.559 11.877 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -2.589 -10.548 11.946 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -0.893 -12.437 9.616 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -4.031 -11.151 7.102 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -1.680 -12.171 7.117 1.00 3.35 H new ATOM 1995 N HIS A 193 -3.326 -14.133 10.709 1.00 0.77 N ATOM 1996 CA HIS A 193 -3.447 -15.347 9.852 1.00 0.85 C ATOM 1997 C HIS A 193 -4.751 -15.272 9.053 1.00 0.74 C ATOM 1998 O HIS A 193 -5.381 -16.274 8.777 1.00 0.78 O ATOM 1999 CB HIS A 193 -3.456 -16.598 10.737 1.00 1.28 C ATOM 2000 CG HIS A 193 -4.330 -16.359 11.937 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -3.806 -16.036 13.180 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -5.693 -16.394 12.102 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -4.840 -15.891 14.030 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -6.012 -16.099 13.425 1.00 3.87 N ATOM 0 H HIS A 193 -4.131 -13.507 10.688 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.602 -15.398 9.166 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -3.824 -17.454 10.171 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -2.442 -16.838 11.055 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -6.408 -16.616 11.324 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -4.734 -15.637 15.074 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -6.942 -16.052 13.842 1.00 3.87 H new ATOM 2012 N MET A 194 -5.163 -14.090 8.681 1.00 0.73 N ATOM 2013 CA MET A 194 -6.430 -13.947 7.905 1.00 0.79 C ATOM 2014 C MET A 194 -6.161 -14.283 6.430 1.00 0.75 C ATOM 2015 O MET A 194 -6.702 -15.226 5.889 1.00 0.90 O ATOM 2016 CB MET A 194 -6.950 -12.491 8.048 1.00 0.91 C ATOM 2017 CG MET A 194 -8.390 -12.480 8.585 1.00 1.47 C ATOM 2018 SD MET A 194 -8.383 -12.942 10.334 1.00 2.35 S ATOM 2019 CE MET A 194 -10.047 -13.650 10.391 1.00 2.94 C ATOM 0 H MET A 194 -4.677 -13.216 8.881 1.00 0.73 H new ATOM 0 HA MET A 194 -7.187 -14.632 8.287 1.00 0.79 H new ATOM 0 HB2 MET A 194 -6.301 -11.932 8.722 1.00 0.91 H new ATOM 0 HB3 MET A 194 -6.913 -11.990 7.081 1.00 0.91 H new ATOM 0 HG2 MET A 194 -8.828 -11.490 8.461 1.00 1.47 H new ATOM 0 HG3 MET A 194 -9.007 -13.176 8.016 1.00 1.47 H new ATOM 0 HE1 MET A 194 -10.257 -14.006 11.400 1.00 2.94 H new ATOM 0 HE2 MET A 194 -10.776 -12.888 10.116 1.00 2.94 H new ATOM 0 HE3 MET A 194 -10.112 -14.484 9.692 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.332 -13.516 5.778 1.00 0.66 N ATOM 2030 CA ALA A 195 -5.036 -13.790 4.343 1.00 0.76 C ATOM 2031 C ALA A 195 -4.679 -15.269 4.168 1.00 0.90 C ATOM 2032 O ALA A 195 -4.829 -15.834 3.104 1.00 1.11 O ATOM 2033 CB ALA A 195 -3.860 -12.921 3.893 1.00 0.82 C ATOM 0 H ALA A 195 -4.847 -12.712 6.176 1.00 0.66 H new ATOM 0 HA ALA A 195 -5.912 -13.557 3.738 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -3.641 -13.120 2.844 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -4.116 -11.869 4.018 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -2.983 -13.155 4.497 1.00 0.82 H new