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 192 HIS : no HD1:sc= -0.72 K(o=-0.72,f=-3.9!) USER MOD Set 1.2: A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 89 HIS : no HE2:sc= 1.04 K(o=2,f=-4.5!) USER MOD Set 2.2: A 187 SER OG : rot 173:sc= 0.916 USER MOD Set 3.1: A 102 HIS : no HE2:sc= -4.73! C(o=-4.7!,f=-8.3!) USER MOD Set 3.2: A 107 GLN : amide:sc= 0 K(o=-4.7,f=-5.9!) USER MOD Single : A 79 MET CE :methyl -106:sc= -0.128 (180deg=-1.08) USER MOD Single : A 80 THR OG1 : rot -170:sc= -1.04! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -128:sc= -2.02 (180deg=-4.43!) USER MOD Single : A 88 SER OG : rot -92:sc= 0.339 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -145:sc= -0.237 (180deg=-1.38!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.887 K(o=-0.89,f=-2.7!) USER MOD Single : A 117 THR OG1 : rot -109:sc= 0.0595 USER MOD Single : A 118 GLN : amide:sc= -1.95 X(o=-2,f=-2.1!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -3.87 K(o=-3.9,f=-9.7!) USER MOD Single : A 126 ASN : amide:sc= -3.03 K(o=-3,f=-4.9!) USER MOD Single : A 127 TYR OH : rot 101:sc= 1.93! USER MOD Single : A 128 THR OG1 : rot -97:sc= -2.11! USER MOD Single : A 135 TYR OH : rot 151:sc= 0.117 USER MOD Single : A 138 THR OG1 : rot 126:sc= -0.819 USER MOD Single : A 142 CYS SG : rot 0:sc= -0.134 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 193 HIS : no HD1:sc= -1.75 X(o=-1.8,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 18.562 -1.343 -8.908 1.00 1.04 N ATOM 275 CA VAL A 74 19.646 -2.151 -8.268 1.00 0.93 C ATOM 276 C VAL A 74 19.381 -3.623 -8.595 1.00 0.86 C ATOM 277 O VAL A 74 18.251 -3.997 -8.838 1.00 0.89 O ATOM 278 CB VAL A 74 19.595 -1.950 -6.744 1.00 1.09 C ATOM 279 CG1 VAL A 74 20.245 -0.618 -6.354 1.00 1.17 C ATOM 280 CG2 VAL A 74 18.136 -1.950 -6.286 1.00 1.38 C ATOM 0 HA VAL A 74 20.626 -1.845 -8.636 1.00 0.93 H new ATOM 0 HB VAL A 74 20.141 -2.762 -6.264 1.00 1.09 H new ATOM 0 HG11 VAL A 74 20.199 -0.494 -5.272 1.00 1.17 H new ATOM 0 HG12 VAL A 74 21.286 -0.613 -6.676 1.00 1.17 H new ATOM 0 HG13 VAL A 74 19.712 0.202 -6.836 1.00 1.17 H new ATOM 0 HG21 VAL A 74 18.094 -1.808 -5.206 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.600 -1.140 -6.780 1.00 1.38 H new ATOM 0 HG23 VAL A 74 17.673 -2.902 -6.545 1.00 1.38 H new ATOM 290 N PRO A 75 20.395 -4.462 -8.595 1.00 0.93 N ATOM 291 CA PRO A 75 20.222 -5.913 -8.888 1.00 1.00 C ATOM 292 C PRO A 75 18.894 -6.438 -8.333 1.00 0.88 C ATOM 293 O PRO A 75 18.579 -6.251 -7.175 1.00 0.84 O ATOM 294 CB PRO A 75 21.419 -6.544 -8.181 1.00 1.18 C ATOM 295 CG PRO A 75 22.506 -5.516 -8.301 1.00 1.37 C ATOM 296 CD PRO A 75 21.809 -4.139 -8.323 1.00 1.13 C ATOM 0 HA PRO A 75 20.187 -6.140 -9.954 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.194 -6.764 -7.138 1.00 1.18 H new ATOM 0 HB3 PRO A 75 21.708 -7.484 -8.650 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.200 -5.586 -7.463 1.00 1.37 H new ATOM 0 HG3 PRO A 75 23.087 -5.671 -9.210 1.00 1.37 H new ATOM 0 HD2 PRO A 75 21.924 -3.618 -7.373 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.227 -3.492 -9.094 1.00 1.13 H new ATOM 304 N LEU A 76 18.096 -7.054 -9.158 1.00 0.86 N ATOM 305 CA LEU A 76 16.772 -7.544 -8.676 1.00 0.77 C ATOM 306 C LEU A 76 16.962 -8.569 -7.558 1.00 0.77 C ATOM 307 O LEU A 76 17.171 -9.741 -7.803 1.00 0.85 O ATOM 308 CB LEU A 76 16.012 -8.193 -9.835 1.00 0.84 C ATOM 309 CG LEU A 76 15.732 -7.156 -10.936 1.00 0.87 C ATOM 310 CD1 LEU A 76 15.148 -7.868 -12.163 1.00 1.01 C ATOM 311 CD2 LEU A 76 14.730 -6.094 -10.433 1.00 0.76 C ATOM 0 H LEU A 76 18.300 -7.240 -10.140 1.00 0.86 H new ATOM 0 HA LEU A 76 16.203 -6.698 -8.291 1.00 0.77 H new ATOM 0 HB2 LEU A 76 16.594 -9.019 -10.243 1.00 0.84 H new ATOM 0 HB3 LEU A 76 15.073 -8.613 -9.474 1.00 0.84 H new ATOM 0 HG LEU A 76 16.665 -6.660 -11.202 1.00 0.87 H new ATOM 0 HD11 LEU A 76 14.948 -7.137 -12.947 1.00 1.01 H new ATOM 0 HD12 LEU A 76 15.861 -8.606 -12.529 1.00 1.01 H new ATOM 0 HD13 LEU A 76 14.219 -8.367 -11.886 1.00 1.01 H new ATOM 0 HD21 LEU A 76 14.542 -5.368 -11.224 1.00 0.76 H new ATOM 0 HD22 LEU A 76 13.794 -6.579 -10.156 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.146 -5.585 -9.563 1.00 0.76 H new ATOM 323 N ARG A 77 16.863 -8.139 -6.326 1.00 0.74 N ATOM 324 CA ARG A 77 17.008 -9.088 -5.181 1.00 0.79 C ATOM 325 C ARG A 77 15.628 -9.717 -4.907 1.00 0.71 C ATOM 326 O ARG A 77 14.651 -9.350 -5.530 1.00 0.73 O ATOM 327 CB ARG A 77 17.528 -8.334 -3.930 1.00 0.85 C ATOM 328 CG ARG A 77 18.217 -7.024 -4.349 1.00 1.19 C ATOM 329 CD ARG A 77 18.846 -6.318 -3.120 1.00 1.52 C ATOM 330 NE ARG A 77 20.266 -5.925 -3.412 1.00 2.13 N ATOM 331 CZ ARG A 77 21.152 -6.798 -3.814 1.00 2.66 C ATOM 332 NH1 ARG A 77 20.844 -8.064 -3.885 1.00 2.73 N ATOM 333 NH2 ARG A 77 22.359 -6.406 -4.119 1.00 3.61 N ATOM 0 H ARG A 77 16.688 -7.169 -6.063 1.00 0.74 H new ATOM 0 HA ARG A 77 17.728 -9.870 -5.420 1.00 0.79 H new ATOM 0 HB2 ARG A 77 16.699 -8.118 -3.256 1.00 0.85 H new ATOM 0 HB3 ARG A 77 18.229 -8.963 -3.382 1.00 0.85 H new ATOM 0 HG2 ARG A 77 18.990 -7.234 -5.089 1.00 1.19 H new ATOM 0 HG3 ARG A 77 17.493 -6.362 -4.824 1.00 1.19 H new ATOM 0 HD2 ARG A 77 18.263 -5.434 -2.863 1.00 1.52 H new ATOM 0 HD3 ARG A 77 18.816 -6.982 -2.256 1.00 1.52 H new ATOM 0 HE ARG A 77 20.546 -4.951 -3.294 1.00 2.13 H new ATOM 0 HH11 ARG A 77 19.908 -8.376 -3.626 1.00 2.73 H new ATOM 0 HH12 ARG A 77 21.539 -8.741 -4.199 1.00 2.73 H new ATOM 0 HH21 ARG A 77 22.609 -5.420 -4.043 1.00 3.61 H new ATOM 0 HH22 ARG A 77 23.052 -7.086 -4.433 1.00 3.61 H new ATOM 347 N PRO A 78 15.535 -10.649 -3.987 1.00 0.79 N ATOM 348 CA PRO A 78 14.250 -11.314 -3.645 1.00 0.76 C ATOM 349 C PRO A 78 13.536 -10.627 -2.471 1.00 0.67 C ATOM 350 O PRO A 78 14.121 -10.402 -1.431 1.00 0.69 O ATOM 351 CB PRO A 78 14.711 -12.714 -3.252 1.00 0.86 C ATOM 352 CG PRO A 78 16.043 -12.499 -2.584 1.00 1.18 C ATOM 353 CD PRO A 78 16.630 -11.191 -3.163 1.00 1.06 C ATOM 0 HA PRO A 78 13.527 -11.290 -4.461 1.00 0.76 H new ATOM 0 HB2 PRO A 78 14.001 -13.191 -2.577 1.00 0.86 H new ATOM 0 HB3 PRO A 78 14.804 -13.361 -4.125 1.00 0.86 H new ATOM 0 HG2 PRO A 78 15.925 -12.424 -1.503 1.00 1.18 H new ATOM 0 HG3 PRO A 78 16.711 -13.339 -2.774 1.00 1.18 H new ATOM 0 HD2 PRO A 78 16.917 -10.497 -2.373 1.00 1.06 H new ATOM 0 HD3 PRO A 78 17.522 -11.382 -3.759 1.00 1.06 H new ATOM 361 N MET A 79 12.280 -10.292 -2.625 1.00 0.65 N ATOM 362 CA MET A 79 11.554 -9.625 -1.506 1.00 0.61 C ATOM 363 C MET A 79 11.454 -10.599 -0.331 1.00 0.51 C ATOM 364 O MET A 79 10.798 -11.618 -0.410 1.00 0.56 O ATOM 365 CB MET A 79 10.148 -9.212 -1.970 1.00 0.66 C ATOM 366 CG MET A 79 9.306 -8.745 -0.768 1.00 0.74 C ATOM 367 SD MET A 79 8.089 -7.521 -1.321 1.00 1.25 S ATOM 368 CE MET A 79 9.029 -6.036 -0.881 1.00 0.83 C ATOM 0 H MET A 79 11.731 -10.450 -3.470 1.00 0.65 H new ATOM 0 HA MET A 79 12.095 -8.731 -1.195 1.00 0.61 H new ATOM 0 HB2 MET A 79 10.221 -8.411 -2.705 1.00 0.66 H new ATOM 0 HB3 MET A 79 9.658 -10.052 -2.462 1.00 0.66 H new ATOM 0 HG2 MET A 79 8.800 -9.596 -0.312 1.00 0.74 H new ATOM 0 HG3 MET A 79 9.952 -8.312 -0.004 1.00 0.74 H new ATOM 0 HE1 MET A 79 8.594 -5.580 0.009 1.00 0.83 H new ATOM 0 HE2 MET A 79 10.065 -6.308 -0.680 1.00 0.83 H new ATOM 0 HE3 MET A 79 8.994 -5.325 -1.707 1.00 0.83 H new ATOM 378 N THR A 80 12.120 -10.301 0.754 1.00 0.56 N ATOM 379 CA THR A 80 12.086 -11.218 1.930 1.00 0.60 C ATOM 380 C THR A 80 10.898 -10.900 2.817 1.00 0.56 C ATOM 381 O THR A 80 10.527 -9.758 2.986 1.00 0.50 O ATOM 382 CB THR A 80 13.376 -11.060 2.744 1.00 0.77 C ATOM 383 OG1 THR A 80 13.269 -9.922 3.586 1.00 0.94 O ATOM 384 CG2 THR A 80 14.560 -10.881 1.792 1.00 0.73 C ATOM 0 H THR A 80 12.686 -9.461 0.876 1.00 0.56 H new ATOM 0 HA THR A 80 11.997 -12.242 1.568 1.00 0.60 H new ATOM 0 HB THR A 80 13.532 -11.949 3.355 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.142 -9.728 3.986 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.478 -10.769 2.370 1.00 0.73 H new ATOM 0 HG22 THR A 80 14.643 -11.755 1.146 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.405 -9.992 1.181 1.00 0.73 H new ATOM 392 N TYR A 81 10.313 -11.904 3.424 1.00 0.61 N ATOM 393 CA TYR A 81 9.177 -11.642 4.345 1.00 0.60 C ATOM 394 C TYR A 81 9.680 -10.576 5.315 1.00 0.51 C ATOM 395 O TYR A 81 9.013 -9.607 5.611 1.00 0.45 O ATOM 396 CB TYR A 81 8.804 -12.953 5.078 1.00 0.69 C ATOM 397 CG TYR A 81 8.422 -12.687 6.523 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.176 -12.127 6.829 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.321 -12.996 7.551 1.00 0.71 C ATOM 400 CE1 TYR A 81 6.830 -11.876 8.163 1.00 0.66 C ATOM 401 CE2 TYR A 81 8.976 -12.745 8.884 1.00 0.77 C ATOM 402 CZ TYR A 81 7.731 -12.185 9.189 1.00 0.73 C ATOM 403 OH TYR A 81 7.390 -11.936 10.503 1.00 0.90 O ATOM 0 H TYR A 81 10.574 -12.884 3.319 1.00 0.61 H new ATOM 0 HA TYR A 81 8.279 -11.300 3.830 1.00 0.60 H new ATOM 0 HB2 TYR A 81 7.974 -13.437 4.563 1.00 0.69 H new ATOM 0 HB3 TYR A 81 9.646 -13.644 5.043 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.482 -11.889 6.037 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.282 -13.429 7.315 1.00 0.71 H new ATOM 0 HE1 TYR A 81 5.869 -11.444 8.400 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.670 -12.983 9.676 1.00 0.77 H new ATOM 0 HH TYR A 81 8.126 -12.209 11.089 1.00 0.90 H new ATOM 413 N LYS A 82 10.893 -10.745 5.759 1.00 0.52 N ATOM 414 CA LYS A 82 11.503 -9.744 6.656 1.00 0.48 C ATOM 415 C LYS A 82 11.530 -8.405 5.924 1.00 0.40 C ATOM 416 O LYS A 82 11.435 -7.356 6.533 1.00 0.38 O ATOM 417 CB LYS A 82 12.931 -10.171 7.004 1.00 0.55 C ATOM 418 CG LYS A 82 13.468 -9.293 8.136 1.00 0.60 C ATOM 419 CD LYS A 82 14.801 -9.856 8.639 1.00 0.92 C ATOM 420 CE LYS A 82 15.797 -9.972 7.478 1.00 1.49 C ATOM 421 NZ LYS A 82 15.562 -11.250 6.747 1.00 2.32 N ATOM 0 H LYS A 82 11.488 -11.542 5.533 1.00 0.52 H new ATOM 0 HA LYS A 82 10.927 -9.658 7.577 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.945 -11.219 7.305 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.572 -10.083 6.127 1.00 0.55 H new ATOM 0 HG2 LYS A 82 13.604 -8.271 7.783 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.747 -9.255 8.953 1.00 0.60 H new ATOM 0 HD2 LYS A 82 15.209 -9.208 9.415 1.00 0.92 H new ATOM 0 HD3 LYS A 82 14.643 -10.835 9.092 1.00 0.92 H new ATOM 0 HE2 LYS A 82 15.682 -9.126 6.800 1.00 1.49 H new ATOM 0 HE3 LYS A 82 16.819 -9.940 7.857 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 16.458 -11.772 6.663 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 14.873 -11.827 7.270 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 15.191 -11.044 5.798 1.00 2.32 H new ATOM 435 N ALA A 83 11.658 -8.420 4.614 1.00 0.42 N ATOM 436 CA ALA A 83 11.685 -7.120 3.878 1.00 0.41 C ATOM 437 C ALA A 83 10.321 -6.430 3.994 1.00 0.35 C ATOM 438 O ALA A 83 10.236 -5.226 4.143 1.00 0.34 O ATOM 439 CB ALA A 83 12.007 -7.354 2.400 1.00 0.52 C ATOM 0 H ALA A 83 11.743 -9.257 4.038 1.00 0.42 H new ATOM 0 HA ALA A 83 12.456 -6.487 4.317 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.023 -6.399 1.876 1.00 0.52 H new ATOM 0 HB2 ALA A 83 12.982 -7.833 2.311 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.245 -7.997 1.959 1.00 0.52 H new ATOM 445 N ALA A 84 9.255 -7.179 3.916 1.00 0.34 N ATOM 446 CA ALA A 84 7.896 -6.566 4.010 1.00 0.31 C ATOM 447 C ALA A 84 7.685 -5.947 5.395 1.00 0.28 C ATOM 448 O ALA A 84 7.309 -4.798 5.517 1.00 0.28 O ATOM 449 CB ALA A 84 6.835 -7.642 3.765 1.00 0.34 C ATOM 0 H ALA A 84 9.265 -8.191 3.791 1.00 0.34 H new ATOM 0 HA ALA A 84 7.809 -5.783 3.257 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.843 -7.197 3.833 1.00 0.34 H new ATOM 0 HB2 ALA A 84 6.973 -8.070 2.772 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.933 -8.427 4.515 1.00 0.34 H new ATOM 455 N VAL A 85 7.912 -6.695 6.441 1.00 0.29 N ATOM 456 CA VAL A 85 7.707 -6.136 7.809 1.00 0.29 C ATOM 457 C VAL A 85 8.673 -4.976 8.035 1.00 0.29 C ATOM 458 O VAL A 85 8.297 -3.937 8.542 1.00 0.30 O ATOM 459 CB VAL A 85 7.944 -7.228 8.861 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.294 -6.824 10.187 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.317 -8.536 8.380 1.00 0.38 C ATOM 0 H VAL A 85 8.229 -7.664 6.409 1.00 0.29 H new ATOM 0 HA VAL A 85 6.683 -5.775 7.901 1.00 0.29 H new ATOM 0 HB VAL A 85 9.016 -7.358 9.006 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.466 -7.604 10.929 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.731 -5.888 10.536 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.222 -6.692 10.041 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.483 -9.315 9.125 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.246 -8.395 8.236 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.774 -8.833 7.436 1.00 0.38 H new ATOM 471 N ASP A 86 9.909 -5.130 7.654 1.00 0.30 N ATOM 472 CA ASP A 86 10.874 -4.015 7.842 1.00 0.32 C ATOM 473 C ASP A 86 10.373 -2.821 7.033 1.00 0.30 C ATOM 474 O ASP A 86 10.297 -1.711 7.522 1.00 0.31 O ATOM 475 CB ASP A 86 12.259 -4.439 7.342 1.00 0.36 C ATOM 476 CG ASP A 86 12.937 -5.327 8.389 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.304 -5.615 9.392 1.00 1.23 O ATOM 478 OD2 ASP A 86 14.077 -5.702 8.171 1.00 1.05 O ATOM 0 H ASP A 86 10.290 -5.973 7.224 1.00 0.30 H new ATOM 0 HA ASP A 86 10.953 -3.752 8.897 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.166 -4.978 6.399 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.871 -3.558 7.147 1.00 0.36 H new ATOM 483 N LEU A 87 10.015 -3.048 5.799 1.00 0.29 N ATOM 484 CA LEU A 87 9.498 -1.937 4.955 1.00 0.30 C ATOM 485 C LEU A 87 8.217 -1.386 5.583 1.00 0.29 C ATOM 486 O LEU A 87 7.985 -0.193 5.593 1.00 0.30 O ATOM 487 CB LEU A 87 9.196 -2.461 3.546 1.00 0.33 C ATOM 488 CG LEU A 87 8.833 -1.296 2.609 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.079 -0.453 2.279 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.241 -1.864 1.314 1.00 0.44 C ATOM 0 H LEU A 87 10.059 -3.957 5.339 1.00 0.29 H new ATOM 0 HA LEU A 87 10.245 -1.146 4.891 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.063 -2.994 3.155 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.373 -3.175 3.585 1.00 0.33 H new ATOM 0 HG LEU A 87 8.105 -0.655 3.106 1.00 0.42 H new ATOM 0 HD11 LEU A 87 9.799 0.365 1.615 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.498 -0.046 3.200 1.00 0.52 H new ATOM 0 HD13 LEU A 87 10.823 -1.080 1.788 1.00 0.52 H new ATOM 0 HD21 LEU A 87 7.980 -1.045 0.643 1.00 0.44 H new ATOM 0 HD22 LEU A 87 8.975 -2.509 0.831 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.346 -2.442 1.546 1.00 0.44 H new ATOM 502 N SER A 88 7.380 -2.243 6.106 1.00 0.30 N ATOM 503 CA SER A 88 6.117 -1.755 6.727 1.00 0.34 C ATOM 504 C SER A 88 6.437 -0.633 7.716 1.00 0.33 C ATOM 505 O SER A 88 5.857 0.433 7.666 1.00 0.36 O ATOM 506 CB SER A 88 5.431 -2.905 7.463 1.00 0.40 C ATOM 507 OG SER A 88 6.035 -3.073 8.739 1.00 0.44 O ATOM 0 H SER A 88 7.516 -3.254 6.129 1.00 0.30 H new ATOM 0 HA SER A 88 5.453 -1.376 5.950 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.367 -2.696 7.576 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.516 -3.825 6.884 1.00 0.40 H new ATOM 0 HG SER A 88 6.755 -3.735 8.676 1.00 0.44 H new ATOM 513 N HIS A 89 7.354 -0.863 8.615 1.00 0.34 N ATOM 514 CA HIS A 89 7.709 0.192 9.609 1.00 0.36 C ATOM 515 C HIS A 89 8.527 1.290 8.933 1.00 0.36 C ATOM 516 O HIS A 89 8.433 2.448 9.288 1.00 0.41 O ATOM 517 CB HIS A 89 8.532 -0.424 10.741 1.00 0.41 C ATOM 518 CG HIS A 89 7.712 -1.459 11.459 1.00 0.52 C ATOM 519 ND1 HIS A 89 8.042 -2.804 11.441 1.00 1.43 N ATOM 520 CD2 HIS A 89 6.577 -1.362 12.225 1.00 1.01 C ATOM 521 CE1 HIS A 89 7.125 -3.457 12.176 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.208 -2.625 12.678 1.00 0.82 N ATOM 0 H HIS A 89 7.874 -1.736 8.705 1.00 0.34 H new ATOM 0 HA HIS A 89 6.792 0.621 10.013 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.438 -0.878 10.339 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.847 0.352 11.438 1.00 0.41 H new ATOM 0 HD1 HIS A 89 8.837 -3.223 10.958 1.00 1.43 H new ATOM 0 HD2 HIS A 89 6.050 -0.445 12.443 1.00 1.01 H new ATOM 0 HE1 HIS A 89 7.129 -4.524 12.341 1.00 1.27 H new ATOM 530 N PHE A 90 9.328 0.945 7.966 1.00 0.34 N ATOM 531 CA PHE A 90 10.143 1.985 7.284 1.00 0.37 C ATOM 532 C PHE A 90 9.207 3.077 6.766 1.00 0.40 C ATOM 533 O PHE A 90 9.271 4.218 7.182 1.00 0.47 O ATOM 534 CB PHE A 90 10.902 1.347 6.112 1.00 0.38 C ATOM 535 CG PHE A 90 12.061 2.229 5.706 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.286 2.125 6.374 1.00 0.57 C ATOM 537 CD2 PHE A 90 11.909 3.149 4.662 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.361 2.940 5.998 1.00 0.69 C ATOM 539 CE2 PHE A 90 12.983 3.965 4.286 1.00 0.70 C ATOM 540 CZ PHE A 90 14.210 3.860 4.953 1.00 0.72 C ATOM 0 H PHE A 90 9.453 -0.006 7.620 1.00 0.34 H new ATOM 0 HA PHE A 90 10.862 2.418 7.979 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.268 0.361 6.398 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.229 1.204 5.267 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.403 1.416 7.180 1.00 0.57 H new ATOM 0 HD2 PHE A 90 10.963 3.229 4.147 1.00 0.59 H new ATOM 0 HE1 PHE A 90 15.306 2.859 6.514 1.00 0.69 H new ATOM 0 HE2 PHE A 90 12.865 4.676 3.481 1.00 0.70 H new ATOM 0 HZ PHE A 90 15.039 4.488 4.662 1.00 0.72 H new ATOM 550 N LEU A 91 8.333 2.734 5.864 1.00 0.37 N ATOM 551 CA LEU A 91 7.386 3.742 5.316 1.00 0.42 C ATOM 552 C LEU A 91 6.475 4.279 6.426 1.00 0.47 C ATOM 553 O LEU A 91 5.925 5.354 6.311 1.00 0.57 O ATOM 554 CB LEU A 91 6.529 3.096 4.224 1.00 0.41 C ATOM 555 CG LEU A 91 7.425 2.617 3.071 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.645 1.636 2.194 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.884 3.810 2.214 1.00 0.54 C ATOM 0 H LEU A 91 8.233 1.794 5.481 1.00 0.37 H new ATOM 0 HA LEU A 91 7.958 4.570 4.897 1.00 0.42 H new ATOM 0 HB2 LEU A 91 5.972 2.255 4.637 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.796 3.813 3.853 1.00 0.41 H new ATOM 0 HG LEU A 91 8.303 2.125 3.491 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.280 1.296 1.376 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.335 0.780 2.793 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.764 2.133 1.787 1.00 0.42 H new ATOM 0 HD21 LEU A 91 8.518 3.452 1.402 1.00 0.54 H new ATOM 0 HD22 LEU A 91 7.013 4.316 1.798 1.00 0.54 H new ATOM 0 HD23 LEU A 91 8.447 4.508 2.834 1.00 0.54 H new ATOM 569 N LYS A 92 6.294 3.547 7.497 1.00 0.45 N ATOM 570 CA LYS A 92 5.399 4.050 8.580 1.00 0.53 C ATOM 571 C LYS A 92 5.974 5.338 9.173 1.00 0.63 C ATOM 572 O LYS A 92 5.369 6.388 9.102 1.00 0.85 O ATOM 573 CB LYS A 92 5.272 2.991 9.680 1.00 0.54 C ATOM 574 CG LYS A 92 4.080 3.332 10.584 1.00 0.73 C ATOM 575 CD LYS A 92 4.075 2.418 11.825 1.00 1.20 C ATOM 576 CE LYS A 92 4.964 3.010 12.925 1.00 1.61 C ATOM 577 NZ LYS A 92 4.841 2.180 14.158 1.00 2.27 N ATOM 0 H LYS A 92 6.721 2.636 7.666 1.00 0.45 H new ATOM 0 HA LYS A 92 4.414 4.256 8.161 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.135 2.005 9.236 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.189 2.951 10.269 1.00 0.54 H new ATOM 0 HG2 LYS A 92 4.135 4.376 10.892 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.149 3.212 10.031 1.00 0.73 H new ATOM 0 HD2 LYS A 92 3.056 2.301 12.195 1.00 1.20 H new ATOM 0 HD3 LYS A 92 4.432 1.424 11.555 1.00 1.20 H new ATOM 0 HE2 LYS A 92 6.002 3.038 12.594 1.00 1.61 H new ATOM 0 HE3 LYS A 92 4.668 4.038 13.134 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 5.443 2.579 14.906 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 3.851 2.175 14.476 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 5.143 1.206 13.953 1.00 2.27 H new ATOM 591 N GLU A 93 7.135 5.267 9.763 1.00 0.62 N ATOM 592 CA GLU A 93 7.739 6.490 10.367 1.00 0.76 C ATOM 593 C GLU A 93 8.151 7.476 9.268 1.00 0.77 C ATOM 594 O GLU A 93 7.784 8.634 9.295 1.00 1.05 O ATOM 595 CB GLU A 93 8.973 6.097 11.183 1.00 0.94 C ATOM 596 CG GLU A 93 8.564 5.131 12.297 1.00 1.22 C ATOM 597 CD GLU A 93 7.664 5.856 13.300 1.00 2.00 C ATOM 598 OE1 GLU A 93 8.179 6.679 14.041 1.00 2.54 O ATOM 599 OE2 GLU A 93 6.476 5.578 13.310 1.00 2.73 O ATOM 0 H GLU A 93 7.692 4.417 9.853 1.00 0.62 H new ATOM 0 HA GLU A 93 7.003 6.966 11.014 1.00 0.76 H new ATOM 0 HB2 GLU A 93 9.715 5.629 10.536 1.00 0.94 H new ATOM 0 HB3 GLU A 93 9.437 6.986 11.610 1.00 0.94 H new ATOM 0 HG2 GLU A 93 8.039 4.274 11.875 1.00 1.22 H new ATOM 0 HG3 GLU A 93 9.450 4.745 12.801 1.00 1.22 H new ATOM 606 N LYS A 94 8.926 7.036 8.314 1.00 0.80 N ATOM 607 CA LYS A 94 9.376 7.960 7.233 1.00 1.02 C ATOM 608 C LYS A 94 8.242 8.219 6.234 1.00 0.96 C ATOM 609 O LYS A 94 7.965 9.348 5.880 1.00 1.41 O ATOM 610 CB LYS A 94 10.571 7.340 6.495 1.00 1.39 C ATOM 611 CG LYS A 94 11.795 7.259 7.432 1.00 1.63 C ATOM 612 CD LYS A 94 12.590 8.580 7.400 1.00 2.18 C ATOM 613 CE LYS A 94 13.588 8.571 6.236 1.00 2.61 C ATOM 614 NZ LYS A 94 14.514 7.413 6.383 1.00 2.96 N ATOM 0 H LYS A 94 9.267 6.078 8.236 1.00 0.80 H new ATOM 0 HA LYS A 94 9.668 8.908 7.685 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.310 6.343 6.139 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.815 7.938 5.617 1.00 1.39 H new ATOM 0 HG2 LYS A 94 11.467 7.050 8.450 1.00 1.63 H new ATOM 0 HG3 LYS A 94 12.439 6.433 7.128 1.00 1.63 H new ATOM 0 HD2 LYS A 94 11.906 9.422 7.295 1.00 2.18 H new ATOM 0 HD3 LYS A 94 13.121 8.716 8.342 1.00 2.18 H new ATOM 0 HE2 LYS A 94 13.055 8.506 5.287 1.00 2.61 H new ATOM 0 HE3 LYS A 94 14.154 9.503 6.221 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 15.460 7.679 6.042 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 14.571 7.139 7.385 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 14.158 6.611 5.825 1.00 2.96 H new ATOM 628 N GLY A 95 7.595 7.189 5.758 1.00 1.12 N ATOM 629 CA GLY A 95 6.498 7.390 4.765 1.00 1.51 C ATOM 630 C GLY A 95 5.185 7.732 5.480 1.00 1.10 C ATOM 631 O GLY A 95 5.032 7.506 6.664 1.00 1.71 O ATOM 0 H GLY A 95 7.778 6.218 6.013 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.764 8.192 4.077 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.370 6.487 4.168 1.00 1.51 H new ATOM 635 N GLY A 96 4.231 8.273 4.756 1.00 1.17 N ATOM 636 CA GLY A 96 2.908 8.634 5.361 1.00 0.99 C ATOM 637 C GLY A 96 1.793 7.993 4.533 1.00 0.81 C ATOM 638 O GLY A 96 0.834 8.638 4.157 1.00 0.83 O ATOM 0 H GLY A 96 4.315 8.482 3.761 1.00 1.17 H new ATOM 0 HA2 GLY A 96 2.858 8.287 6.393 1.00 0.99 H new ATOM 0 HA3 GLY A 96 2.786 9.717 5.383 1.00 0.99 H new ATOM 642 N LEU A 97 1.919 6.727 4.238 1.00 0.67 N ATOM 643 CA LEU A 97 0.876 6.035 3.425 1.00 0.55 C ATOM 644 C LEU A 97 -0.293 5.629 4.328 1.00 0.46 C ATOM 645 O LEU A 97 -1.414 5.481 3.883 1.00 0.49 O ATOM 646 CB LEU A 97 1.503 4.790 2.782 1.00 0.54 C ATOM 647 CG LEU A 97 0.519 4.133 1.793 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.539 4.870 0.447 1.00 0.65 C ATOM 649 CD2 LEU A 97 0.928 2.673 1.566 1.00 0.66 C ATOM 0 H LEU A 97 2.702 6.140 4.526 1.00 0.67 H new ATOM 0 HA LEU A 97 0.502 6.701 2.647 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.420 5.066 2.261 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.780 4.075 3.557 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.486 4.183 2.213 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.161 4.393 -0.239 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.249 5.910 0.597 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.544 4.831 0.026 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.234 2.205 0.867 1.00 0.66 H new ATOM 0 HD22 LEU A 97 1.937 2.637 1.155 1.00 0.66 H new ATOM 0 HD23 LEU A 97 0.904 2.137 2.515 1.00 0.66 H new ATOM 661 N GLU A 98 -0.046 5.444 5.593 1.00 0.44 N ATOM 662 CA GLU A 98 -1.151 5.048 6.511 1.00 0.40 C ATOM 663 C GLU A 98 -2.319 6.028 6.371 1.00 0.40 C ATOM 664 O GLU A 98 -2.141 7.206 6.135 1.00 0.58 O ATOM 665 CB GLU A 98 -0.641 5.050 7.957 1.00 0.49 C ATOM 666 CG GLU A 98 -1.820 4.913 8.930 1.00 0.48 C ATOM 667 CD GLU A 98 -1.300 4.545 10.321 1.00 1.26 C ATOM 668 OE1 GLU A 98 -0.119 4.269 10.439 1.00 2.03 O ATOM 669 OE2 GLU A 98 -2.096 4.545 11.247 1.00 1.94 O ATOM 0 H GLU A 98 0.869 5.549 6.031 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.495 4.047 6.251 1.00 0.40 H new ATOM 0 HB2 GLU A 98 0.060 4.229 8.105 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.098 5.973 8.158 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.377 5.849 8.975 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.510 4.148 8.575 1.00 0.48 H new ATOM 676 N GLY A 99 -3.513 5.536 6.538 1.00 0.39 N ATOM 677 CA GLY A 99 -4.720 6.408 6.446 1.00 0.42 C ATOM 678 C GLY A 99 -4.702 7.245 5.161 1.00 0.42 C ATOM 679 O GLY A 99 -5.540 8.102 4.967 1.00 0.46 O ATOM 0 H GLY A 99 -3.709 4.555 6.737 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.619 5.793 6.470 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.762 7.068 7.313 1.00 0.42 H new ATOM 683 N LEU A 100 -3.767 7.012 4.278 1.00 0.41 N ATOM 684 CA LEU A 100 -3.736 7.814 3.017 1.00 0.43 C ATOM 685 C LEU A 100 -4.844 7.314 2.082 1.00 0.42 C ATOM 686 O LEU A 100 -4.822 6.193 1.614 1.00 0.44 O ATOM 687 CB LEU A 100 -2.361 7.675 2.347 1.00 0.45 C ATOM 688 CG LEU A 100 -2.122 8.842 1.367 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.620 10.083 2.120 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.068 8.434 0.331 1.00 1.17 C ATOM 0 H LEU A 100 -3.032 6.311 4.372 1.00 0.41 H new ATOM 0 HA LEU A 100 -3.904 8.867 3.241 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.579 7.663 3.106 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.303 6.726 1.814 1.00 0.45 H new ATOM 0 HG LEU A 100 -3.065 9.078 0.873 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.457 10.896 1.413 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.363 10.387 2.857 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -0.683 9.848 2.625 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -0.900 9.259 -0.361 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.135 8.190 0.838 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.419 7.563 -0.222 1.00 1.17 H new ATOM 702 N ILE A 101 -5.826 8.138 1.831 1.00 0.44 N ATOM 703 CA ILE A 101 -6.962 7.724 0.957 1.00 0.45 C ATOM 704 C ILE A 101 -6.474 7.394 -0.461 1.00 0.46 C ATOM 705 O ILE A 101 -5.979 8.240 -1.178 1.00 0.49 O ATOM 706 CB ILE A 101 -8.010 8.856 0.938 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.826 8.826 2.253 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.954 8.720 -0.263 1.00 0.54 C ATOM 709 CD1 ILE A 101 -9.936 7.751 2.212 1.00 0.52 C ATOM 0 H ILE A 101 -5.890 9.088 2.197 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.417 6.817 1.355 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.486 9.808 0.849 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.158 8.628 3.091 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.273 9.805 2.426 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.681 9.532 -0.248 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.377 8.766 -1.186 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.476 7.765 -0.209 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.487 7.761 3.153 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.619 7.964 1.389 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.486 6.769 2.065 1.00 0.52 H new ATOM 721 N HIS A 102 -6.636 6.158 -0.867 1.00 0.47 N ATOM 722 CA HIS A 102 -6.215 5.744 -2.237 1.00 0.51 C ATOM 723 C HIS A 102 -7.103 6.437 -3.264 1.00 0.58 C ATOM 724 O HIS A 102 -8.179 5.959 -3.583 1.00 0.64 O ATOM 725 CB HIS A 102 -6.374 4.229 -2.400 1.00 0.57 C ATOM 726 CG HIS A 102 -5.930 3.823 -3.778 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.481 4.376 -4.924 1.00 1.41 N ATOM 728 CD2 HIS A 102 -5.007 2.905 -4.212 1.00 0.64 C ATOM 729 CE1 HIS A 102 -5.890 3.791 -5.982 1.00 1.36 C ATOM 730 NE2 HIS A 102 -4.984 2.887 -5.603 1.00 0.70 N ATOM 0 H HIS A 102 -7.045 5.414 -0.301 1.00 0.47 H new ATOM 0 HA HIS A 102 -5.171 6.021 -2.386 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -5.782 3.708 -1.648 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -7.414 3.943 -2.242 1.00 0.57 H new ATOM 0 HD1 HIS A 102 -7.203 5.096 -4.959 1.00 1.41 H new ATOM 0 HD2 HIS A 102 -4.392 2.290 -3.571 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -6.120 4.024 -7.011 1.00 1.36 H new ATOM 738 N SER A 103 -6.665 7.554 -3.778 1.00 0.60 N ATOM 739 CA SER A 103 -7.475 8.283 -4.791 1.00 0.69 C ATOM 740 C SER A 103 -7.442 7.525 -6.119 1.00 0.76 C ATOM 741 O SER A 103 -8.421 6.937 -6.536 1.00 0.85 O ATOM 742 CB SER A 103 -6.899 9.684 -4.994 1.00 0.74 C ATOM 743 OG SER A 103 -7.797 10.451 -5.786 1.00 1.49 O ATOM 0 H SER A 103 -5.777 7.994 -3.538 1.00 0.60 H new ATOM 0 HA SER A 103 -8.505 8.358 -4.441 1.00 0.69 H new ATOM 0 HB2 SER A 103 -6.742 10.168 -4.030 1.00 0.74 H new ATOM 0 HB3 SER A 103 -5.927 9.623 -5.483 1.00 0.74 H new ATOM 0 HG SER A 103 -7.431 11.351 -5.917 1.00 1.49 H new ATOM 749 N GLN A 104 -6.320 7.543 -6.797 1.00 0.81 N ATOM 750 CA GLN A 104 -6.224 6.836 -8.111 1.00 0.92 C ATOM 751 C GLN A 104 -4.783 6.371 -8.363 1.00 0.93 C ATOM 752 O GLN A 104 -4.393 5.283 -7.989 1.00 1.37 O ATOM 753 CB GLN A 104 -6.639 7.796 -9.232 1.00 1.06 C ATOM 754 CG GLN A 104 -8.153 8.015 -9.199 1.00 1.76 C ATOM 755 CD GLN A 104 -8.576 8.838 -10.418 1.00 2.14 C ATOM 756 OE1 GLN A 104 -8.220 8.518 -11.535 1.00 2.64 O ATOM 757 NE2 GLN A 104 -9.326 9.894 -10.250 1.00 2.70 N ATOM 0 H GLN A 104 -5.468 8.016 -6.497 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.883 5.968 -8.093 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -6.123 8.749 -9.116 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -6.343 7.389 -10.199 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -8.670 7.055 -9.197 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -8.437 8.531 -8.282 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -9.625 10.163 -9.313 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -9.613 10.449 -11.056 1.00 2.70 H new ATOM 766 N ARG A 105 -4.002 7.182 -9.025 1.00 0.83 N ATOM 767 CA ARG A 105 -2.592 6.797 -9.345 1.00 0.87 C ATOM 768 C ARG A 105 -1.737 6.763 -8.064 1.00 0.74 C ATOM 769 O ARG A 105 -0.574 6.415 -8.102 1.00 0.70 O ATOM 770 CB ARG A 105 -1.981 7.801 -10.371 1.00 1.06 C ATOM 771 CG ARG A 105 -3.020 8.856 -10.794 1.00 1.71 C ATOM 772 CD ARG A 105 -3.265 9.853 -9.645 1.00 1.99 C ATOM 773 NE ARG A 105 -2.330 11.004 -9.796 1.00 2.86 N ATOM 774 CZ ARG A 105 -2.503 12.088 -9.090 1.00 3.60 C ATOM 775 NH1 ARG A 105 -3.472 12.152 -8.218 1.00 3.73 N ATOM 776 NH2 ARG A 105 -1.701 13.104 -9.251 1.00 4.61 N ATOM 0 H ARG A 105 -4.281 8.103 -9.362 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.597 5.800 -9.785 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -1.114 8.294 -9.931 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -1.628 7.260 -11.249 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -2.669 9.388 -11.678 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -3.955 8.367 -11.066 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -4.298 10.202 -9.662 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -3.109 9.365 -8.683 1.00 1.99 H new ATOM 0 HE ARG A 105 -1.552 10.944 -10.453 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -4.095 11.355 -8.088 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -3.607 12.999 -7.667 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -0.940 13.051 -9.928 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -1.835 13.952 -8.700 1.00 4.61 H new ATOM 790 N ARG A 106 -2.288 7.129 -6.941 1.00 0.71 N ATOM 791 CA ARG A 106 -1.479 7.124 -5.685 1.00 0.65 C ATOM 792 C ARG A 106 -0.797 5.763 -5.497 1.00 0.54 C ATOM 793 O ARG A 106 0.340 5.686 -5.075 1.00 0.50 O ATOM 794 CB ARG A 106 -2.397 7.404 -4.485 1.00 0.70 C ATOM 795 CG ARG A 106 -2.861 8.884 -4.489 1.00 1.01 C ATOM 796 CD ARG A 106 -2.033 9.715 -3.495 1.00 1.24 C ATOM 797 NE ARG A 106 -0.581 9.587 -3.802 1.00 1.86 N ATOM 798 CZ ARG A 106 0.265 10.455 -3.319 1.00 2.48 C ATOM 799 NH1 ARG A 106 -0.162 11.434 -2.568 1.00 2.86 N ATOM 800 NH2 ARG A 106 1.538 10.343 -3.585 1.00 3.29 N ATOM 0 H ARG A 106 -3.257 7.430 -6.836 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.714 7.897 -5.754 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -3.264 6.745 -4.522 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.869 7.185 -3.557 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -2.759 9.300 -5.492 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -3.917 8.940 -4.226 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -2.332 10.762 -3.547 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -2.228 9.378 -2.477 1.00 1.24 H new ATOM 0 HE ARG A 106 -0.249 8.822 -4.389 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -1.157 11.520 -2.359 1.00 2.86 H new ATOM 0 HH12 ARG A 106 0.499 12.113 -2.190 1.00 2.86 H new ATOM 0 HH21 ARG A 106 1.871 9.577 -4.170 1.00 3.29 H new ATOM 0 HH22 ARG A 106 2.200 11.021 -3.208 1.00 3.29 H new ATOM 814 N GLN A 107 -1.476 4.691 -5.798 1.00 0.55 N ATOM 815 CA GLN A 107 -0.857 3.342 -5.624 1.00 0.52 C ATOM 816 C GLN A 107 0.349 3.190 -6.560 1.00 0.49 C ATOM 817 O GLN A 107 1.372 2.653 -6.184 1.00 0.44 O ATOM 818 CB GLN A 107 -1.891 2.263 -5.953 1.00 0.63 C ATOM 819 CG GLN A 107 -1.231 0.884 -5.905 1.00 1.11 C ATOM 820 CD GLN A 107 -2.314 -0.198 -5.913 1.00 1.53 C ATOM 821 OE1 GLN A 107 -3.477 0.093 -6.106 1.00 2.13 O ATOM 822 NE2 GLN A 107 -1.977 -1.442 -5.712 1.00 2.12 N ATOM 0 H GLN A 107 -2.431 4.688 -6.156 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.524 3.234 -4.592 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.716 2.307 -5.241 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.314 2.440 -6.942 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.567 0.756 -6.760 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -0.617 0.793 -5.009 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -1.000 -1.686 -5.550 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -2.691 -2.171 -5.717 1.00 2.12 H new ATOM 831 N ASP A 108 0.234 3.648 -7.778 1.00 0.56 N ATOM 832 CA ASP A 108 1.371 3.516 -8.735 1.00 0.59 C ATOM 833 C ASP A 108 2.624 4.173 -8.152 1.00 0.54 C ATOM 834 O ASP A 108 3.681 3.576 -8.095 1.00 0.54 O ATOM 835 CB ASP A 108 1.009 4.198 -10.057 1.00 0.72 C ATOM 836 CG ASP A 108 -0.051 3.371 -10.787 1.00 0.81 C ATOM 837 OD1 ASP A 108 0.009 2.157 -10.698 1.00 1.42 O ATOM 838 OD2 ASP A 108 -0.904 3.968 -11.422 1.00 1.33 O ATOM 0 H ASP A 108 -0.597 4.107 -8.151 1.00 0.56 H new ATOM 0 HA ASP A 108 1.568 2.458 -8.909 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.634 5.204 -9.868 1.00 0.72 H new ATOM 0 HB3 ASP A 108 1.897 4.301 -10.680 1.00 0.72 H new ATOM 843 N ILE A 109 2.519 5.400 -7.725 1.00 0.55 N ATOM 844 CA ILE A 109 3.707 6.096 -7.155 1.00 0.54 C ATOM 845 C ILE A 109 4.369 5.211 -6.092 1.00 0.47 C ATOM 846 O ILE A 109 5.567 5.010 -6.095 1.00 0.53 O ATOM 847 CB ILE A 109 3.268 7.418 -6.514 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.278 8.140 -7.437 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.489 8.309 -6.285 1.00 0.63 C ATOM 850 CD1 ILE A 109 2.839 8.209 -8.859 1.00 1.47 C ATOM 0 H ILE A 109 1.661 5.952 -7.746 1.00 0.55 H new ATOM 0 HA ILE A 109 4.421 6.296 -7.954 1.00 0.54 H new ATOM 0 HB ILE A 109 2.786 7.208 -5.559 1.00 0.59 H new ATOM 0 HG12 ILE A 109 1.323 7.615 -7.440 1.00 0.70 H new ATOM 0 HG13 ILE A 109 2.088 9.146 -7.063 1.00 0.70 H new ATOM 0 HG21 ILE A 109 4.174 9.248 -5.829 1.00 0.63 H new ATOM 0 HG22 ILE A 109 5.191 7.802 -5.623 1.00 0.63 H new ATOM 0 HG23 ILE A 109 4.974 8.514 -7.239 1.00 0.63 H new ATOM 0 HD11 ILE A 109 2.128 8.723 -9.506 1.00 1.47 H new ATOM 0 HD12 ILE A 109 3.783 8.754 -8.852 1.00 1.47 H new ATOM 0 HD13 ILE A 109 3.006 7.199 -9.234 1.00 1.47 H new ATOM 862 N LEU A 110 3.597 4.691 -5.177 1.00 0.43 N ATOM 863 CA LEU A 110 4.179 3.830 -4.106 1.00 0.39 C ATOM 864 C LEU A 110 5.096 2.771 -4.727 1.00 0.38 C ATOM 865 O LEU A 110 6.303 2.840 -4.617 1.00 0.38 O ATOM 866 CB LEU A 110 3.038 3.144 -3.340 1.00 0.42 C ATOM 867 CG LEU A 110 3.596 2.115 -2.343 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.630 2.775 -1.421 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.439 1.567 -1.500 1.00 0.66 C ATOM 0 H LEU A 110 2.587 4.825 -5.124 1.00 0.43 H new ATOM 0 HA LEU A 110 4.765 4.444 -3.422 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.449 3.891 -2.808 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.367 2.650 -4.043 1.00 0.42 H new ATOM 0 HG LEU A 110 4.080 1.306 -2.891 1.00 0.44 H new ATOM 0 HD11 LEU A 110 5.017 2.035 -0.720 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.450 3.172 -2.019 1.00 0.56 H new ATOM 0 HD13 LEU A 110 4.158 3.587 -0.868 1.00 0.56 H new ATOM 0 HD21 LEU A 110 2.822 0.836 -0.788 1.00 0.66 H new ATOM 0 HD22 LEU A 110 1.964 2.385 -0.959 1.00 0.66 H new ATOM 0 HD23 LEU A 110 1.708 1.090 -2.152 1.00 0.66 H new ATOM 881 N ASP A 111 4.530 1.783 -5.364 1.00 0.40 N ATOM 882 CA ASP A 111 5.360 0.702 -5.977 1.00 0.42 C ATOM 883 C ASP A 111 6.479 1.299 -6.837 1.00 0.43 C ATOM 884 O ASP A 111 7.572 0.770 -6.895 1.00 0.42 O ATOM 885 CB ASP A 111 4.468 -0.184 -6.849 1.00 0.50 C ATOM 886 CG ASP A 111 3.369 -0.806 -5.986 1.00 0.59 C ATOM 887 OD1 ASP A 111 2.355 -0.156 -5.795 1.00 1.19 O ATOM 888 OD2 ASP A 111 3.560 -1.920 -5.531 1.00 1.30 O ATOM 0 H ASP A 111 3.523 1.676 -5.488 1.00 0.40 H new ATOM 0 HA ASP A 111 5.811 0.112 -5.180 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.025 0.405 -7.652 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.063 -0.967 -7.319 1.00 0.50 H new ATOM 893 N LEU A 112 6.220 2.381 -7.518 1.00 0.48 N ATOM 894 CA LEU A 112 7.278 2.985 -8.381 1.00 0.52 C ATOM 895 C LEU A 112 8.438 3.482 -7.518 1.00 0.48 C ATOM 896 O LEU A 112 9.565 3.058 -7.682 1.00 0.47 O ATOM 897 CB LEU A 112 6.677 4.153 -9.179 1.00 0.60 C ATOM 898 CG LEU A 112 7.680 4.665 -10.253 1.00 0.70 C ATOM 899 CD1 LEU A 112 6.924 5.083 -11.520 1.00 1.45 C ATOM 900 CD2 LEU A 112 8.455 5.883 -9.723 1.00 1.26 C ATOM 0 H LEU A 112 5.326 2.872 -7.516 1.00 0.48 H new ATOM 0 HA LEU A 112 7.656 2.231 -9.072 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.754 3.832 -9.661 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.417 4.966 -8.501 1.00 0.60 H new ATOM 0 HG LEU A 112 8.375 3.858 -10.482 1.00 0.70 H new ATOM 0 HD11 LEU A 112 7.634 5.440 -12.266 1.00 1.45 H new ATOM 0 HD12 LEU A 112 6.379 4.227 -11.918 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.221 5.880 -11.278 1.00 1.45 H new ATOM 0 HD21 LEU A 112 9.153 6.230 -10.485 1.00 1.26 H new ATOM 0 HD22 LEU A 112 7.755 6.683 -9.481 1.00 1.26 H new ATOM 0 HD23 LEU A 112 9.008 5.601 -8.827 1.00 1.26 H new ATOM 912 N TRP A 113 8.181 4.378 -6.603 1.00 0.48 N ATOM 913 CA TRP A 113 9.282 4.897 -5.738 1.00 0.48 C ATOM 914 C TRP A 113 10.108 3.719 -5.213 1.00 0.43 C ATOM 915 O TRP A 113 11.321 3.773 -5.161 1.00 0.45 O ATOM 916 CB TRP A 113 8.678 5.676 -4.564 1.00 0.52 C ATOM 917 CG TRP A 113 9.753 6.055 -3.592 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.529 7.159 -3.681 1.00 0.66 C ATOM 919 CD2 TRP A 113 10.177 5.353 -2.389 1.00 0.55 C ATOM 920 NE1 TRP A 113 11.403 7.179 -2.609 1.00 0.70 N ATOM 921 CE2 TRP A 113 11.225 6.087 -1.783 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.759 4.162 -1.770 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.835 5.654 -0.606 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.370 3.722 -0.586 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.406 4.467 -0.004 1.00 0.67 C ATOM 0 H TRP A 113 7.259 4.773 -6.417 1.00 0.48 H new ATOM 0 HA TRP A 113 9.927 5.560 -6.315 1.00 0.48 H new ATOM 0 HB2 TRP A 113 8.176 6.571 -4.931 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.923 5.069 -4.065 1.00 0.52 H new ATOM 0 HD1 TRP A 113 10.475 7.903 -4.462 1.00 0.66 H new ATOM 0 HE1 TRP A 113 12.095 7.911 -2.448 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.961 3.581 -2.209 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.633 6.231 -0.163 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 10.041 2.805 -0.120 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.872 4.124 0.908 1.00 0.67 H new ATOM 936 N ILE A 114 9.461 2.651 -4.837 1.00 0.39 N ATOM 937 CA ILE A 114 10.211 1.469 -4.332 1.00 0.37 C ATOM 938 C ILE A 114 11.142 0.949 -5.435 1.00 0.39 C ATOM 939 O ILE A 114 12.250 0.525 -5.176 1.00 0.44 O ATOM 940 CB ILE A 114 9.221 0.373 -3.922 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.309 0.915 -2.814 1.00 0.37 C ATOM 942 CG2 ILE A 114 9.986 -0.848 -3.399 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.267 -0.137 -2.423 1.00 1.00 C ATOM 0 H ILE A 114 8.447 2.546 -4.858 1.00 0.39 H new ATOM 0 HA ILE A 114 10.807 1.754 -3.465 1.00 0.37 H new ATOM 0 HB ILE A 114 8.624 0.078 -4.785 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.905 1.188 -1.943 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.810 1.822 -3.155 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.278 -1.624 -3.109 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.642 -1.229 -4.182 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.583 -0.560 -2.534 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.626 0.260 -1.636 1.00 1.00 H new ATOM 0 HD12 ILE A 114 6.660 -0.389 -3.293 1.00 1.00 H new ATOM 0 HD13 ILE A 114 7.772 -1.033 -2.062 1.00 1.00 H new ATOM 955 N TYR A 115 10.696 0.971 -6.664 1.00 0.40 N ATOM 956 CA TYR A 115 11.550 0.468 -7.783 1.00 0.46 C ATOM 957 C TYR A 115 12.804 1.343 -7.936 1.00 0.51 C ATOM 958 O TYR A 115 13.917 0.871 -7.817 1.00 0.54 O ATOM 959 CB TYR A 115 10.738 0.493 -9.087 1.00 0.53 C ATOM 960 CG TYR A 115 11.365 -0.433 -10.108 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.186 -1.820 -10.002 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.125 0.095 -11.160 1.00 0.74 C ATOM 963 CE1 TYR A 115 11.765 -2.675 -10.948 1.00 0.65 C ATOM 964 CE2 TYR A 115 12.704 -0.761 -12.105 1.00 0.82 C ATOM 965 CZ TYR A 115 12.524 -2.146 -11.999 1.00 0.77 C ATOM 966 OH TYR A 115 13.093 -2.988 -12.931 1.00 0.87 O ATOM 0 H TYR A 115 9.777 1.315 -6.942 1.00 0.40 H new ATOM 0 HA TYR A 115 11.864 -0.552 -7.562 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.710 0.188 -8.890 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.699 1.509 -9.481 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.602 -2.229 -9.191 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.264 1.163 -11.242 1.00 0.74 H new ATOM 0 HE1 TYR A 115 11.626 -3.743 -10.867 1.00 0.65 H new ATOM 0 HE2 TYR A 115 13.289 -0.353 -12.916 1.00 0.82 H new ATOM 0 HH TYR A 115 13.585 -2.459 -13.593 1.00 0.87 H new ATOM 976 N HIS A 116 12.633 2.610 -8.210 1.00 0.58 N ATOM 977 CA HIS A 116 13.814 3.513 -8.384 1.00 0.67 C ATOM 978 C HIS A 116 14.643 3.568 -7.098 1.00 0.67 C ATOM 979 O HIS A 116 15.586 4.327 -7.003 1.00 0.81 O ATOM 980 CB HIS A 116 13.328 4.921 -8.731 1.00 0.79 C ATOM 981 CG HIS A 116 12.641 4.901 -10.069 1.00 1.20 C ATOM 982 ND1 HIS A 116 12.131 3.737 -10.622 1.00 1.99 N ATOM 983 CD2 HIS A 116 12.370 5.896 -10.975 1.00 2.05 C ATOM 984 CE1 HIS A 116 11.585 4.057 -11.810 1.00 2.71 C ATOM 985 NE2 HIS A 116 11.703 5.362 -12.073 1.00 2.74 N ATOM 0 H HIS A 116 11.725 3.061 -8.321 1.00 0.58 H new ATOM 0 HA HIS A 116 14.438 3.123 -9.189 1.00 0.67 H new ATOM 0 HB2 HIS A 116 12.642 5.279 -7.964 1.00 0.79 H new ATOM 0 HB3 HIS A 116 14.170 5.612 -8.753 1.00 0.79 H new ATOM 0 HD2 HIS A 116 12.635 6.936 -10.854 1.00 2.05 H new ATOM 0 HE1 HIS A 116 11.110 3.346 -12.470 1.00 2.71 H new ATOM 0 HE2 HIS A 116 11.375 5.859 -12.901 1.00 2.74 H new ATOM 993 N THR A 117 14.305 2.773 -6.110 1.00 0.63 N ATOM 994 CA THR A 117 15.079 2.773 -4.825 1.00 0.68 C ATOM 995 C THR A 117 15.540 1.348 -4.510 1.00 0.66 C ATOM 996 O THR A 117 16.706 1.023 -4.621 1.00 0.73 O ATOM 997 CB THR A 117 14.188 3.278 -3.691 1.00 0.80 C ATOM 998 OG1 THR A 117 12.926 2.637 -3.766 1.00 0.85 O ATOM 999 CG2 THR A 117 14.003 4.790 -3.821 1.00 0.91 C ATOM 0 H THR A 117 13.522 2.120 -6.138 1.00 0.63 H new ATOM 0 HA THR A 117 15.946 3.426 -4.924 1.00 0.68 H new ATOM 0 HB THR A 117 14.655 3.053 -2.732 1.00 0.80 H new ATOM 0 HG1 THR A 117 12.249 3.281 -4.063 1.00 0.85 H new ATOM 0 HG21 THR A 117 13.367 5.150 -3.012 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.974 5.282 -3.765 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.535 5.018 -4.779 1.00 0.91 H new ATOM 1007 N GLN A 118 14.634 0.496 -4.109 1.00 0.73 N ATOM 1008 CA GLN A 118 15.017 -0.907 -3.780 1.00 0.83 C ATOM 1009 C GLN A 118 15.089 -1.740 -5.063 1.00 0.72 C ATOM 1010 O GLN A 118 15.851 -2.680 -5.161 1.00 0.91 O ATOM 1011 CB GLN A 118 13.973 -1.503 -2.835 1.00 1.06 C ATOM 1012 CG GLN A 118 13.692 -0.514 -1.702 1.00 1.48 C ATOM 1013 CD GLN A 118 12.792 -1.173 -0.656 1.00 2.12 C ATOM 1014 OE1 GLN A 118 12.966 -0.966 0.529 1.00 2.89 O ATOM 1015 NE2 GLN A 118 11.829 -1.964 -1.044 1.00 2.13 N ATOM 0 H GLN A 118 13.644 0.712 -3.995 1.00 0.73 H new ATOM 0 HA GLN A 118 15.994 -0.915 -3.298 1.00 0.83 H new ATOM 0 HB2 GLN A 118 13.054 -1.720 -3.380 1.00 1.06 H new ATOM 0 HB3 GLN A 118 14.332 -2.448 -2.427 1.00 1.06 H new ATOM 0 HG2 GLN A 118 14.628 -0.196 -1.243 1.00 1.48 H new ATOM 0 HG3 GLN A 118 13.212 0.381 -2.098 1.00 1.48 H new ATOM 0 HE21 GLN A 118 11.682 -2.139 -2.038 1.00 2.13 H new ATOM 0 HE22 GLN A 118 11.224 -2.407 -0.353 1.00 2.13 H new ATOM 1024 N GLY A 119 14.311 -1.395 -6.052 1.00 0.86 N ATOM 1025 CA GLY A 119 14.349 -2.156 -7.335 1.00 0.85 C ATOM 1026 C GLY A 119 13.602 -3.488 -7.202 1.00 0.65 C ATOM 1027 O GLY A 119 13.786 -4.385 -8.002 1.00 0.67 O ATOM 0 H GLY A 119 13.650 -0.619 -6.028 1.00 0.86 H new ATOM 0 HA2 GLY A 119 13.900 -1.560 -8.130 1.00 0.85 H new ATOM 0 HA3 GLY A 119 15.384 -2.342 -7.622 1.00 0.85 H new ATOM 1031 N TYR A 120 12.758 -3.636 -6.217 1.00 0.54 N ATOM 1032 CA TYR A 120 12.016 -4.922 -6.079 1.00 0.44 C ATOM 1033 C TYR A 120 10.906 -4.970 -7.132 1.00 0.49 C ATOM 1034 O TYR A 120 10.262 -3.979 -7.416 1.00 0.70 O ATOM 1035 CB TYR A 120 11.404 -5.031 -4.671 1.00 0.48 C ATOM 1036 CG TYR A 120 12.447 -5.537 -3.693 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.000 -6.814 -3.857 1.00 0.58 C ATOM 1038 CD2 TYR A 120 12.858 -4.732 -2.626 1.00 0.60 C ATOM 1039 CE1 TYR A 120 13.963 -7.280 -2.956 1.00 0.71 C ATOM 1040 CE2 TYR A 120 13.822 -5.199 -1.724 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.374 -6.473 -1.891 1.00 0.75 C ATOM 1042 OH TYR A 120 15.325 -6.935 -1.003 1.00 0.91 O ATOM 0 H TYR A 120 12.552 -2.931 -5.509 1.00 0.54 H new ATOM 0 HA TYR A 120 12.702 -5.756 -6.226 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.033 -4.058 -4.350 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.550 -5.708 -4.688 1.00 0.48 H new ATOM 0 HD1 TYR A 120 12.683 -7.438 -4.679 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.431 -3.748 -2.497 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.389 -8.264 -3.083 1.00 0.71 H new ATOM 0 HE2 TYR A 120 14.139 -4.576 -0.901 1.00 0.71 H new ATOM 0 HH TYR A 120 15.498 -6.250 -0.323 1.00 0.91 H new ATOM 1052 N PHE A 121 10.681 -6.115 -7.717 1.00 0.48 N ATOM 1053 CA PHE A 121 9.617 -6.224 -8.755 1.00 0.57 C ATOM 1054 C PHE A 121 8.245 -6.271 -8.061 1.00 0.55 C ATOM 1055 O PHE A 121 8.131 -6.763 -6.956 1.00 0.59 O ATOM 1056 CB PHE A 121 9.834 -7.509 -9.573 1.00 0.68 C ATOM 1057 CG PHE A 121 10.393 -8.589 -8.676 1.00 1.42 C ATOM 1058 CD1 PHE A 121 9.531 -9.378 -7.906 1.00 2.32 C ATOM 1059 CD2 PHE A 121 11.775 -8.800 -8.617 1.00 2.33 C ATOM 1060 CE1 PHE A 121 10.052 -10.379 -7.077 1.00 3.44 C ATOM 1061 CE2 PHE A 121 12.296 -9.801 -7.788 1.00 3.43 C ATOM 1062 CZ PHE A 121 11.435 -10.590 -7.018 1.00 3.85 C ATOM 0 H PHE A 121 11.187 -6.979 -7.521 1.00 0.48 H new ATOM 0 HA PHE A 121 9.657 -5.364 -9.423 1.00 0.57 H new ATOM 0 HB2 PHE A 121 8.892 -7.837 -10.011 1.00 0.68 H new ATOM 0 HB3 PHE A 121 10.519 -7.316 -10.398 1.00 0.68 H new ATOM 0 HD1 PHE A 121 8.464 -9.215 -7.951 1.00 2.32 H new ATOM 0 HD2 PHE A 121 12.440 -8.191 -9.211 1.00 2.33 H new ATOM 0 HE1 PHE A 121 9.387 -10.988 -6.483 1.00 3.44 H new ATOM 0 HE2 PHE A 121 13.363 -9.964 -7.743 1.00 3.43 H new ATOM 0 HZ PHE A 121 11.837 -11.362 -6.378 1.00 3.85 H new ATOM 1072 N PRO A 122 7.206 -5.765 -8.690 1.00 0.64 N ATOM 1073 CA PRO A 122 5.837 -5.762 -8.093 1.00 0.67 C ATOM 1074 C PRO A 122 5.131 -7.116 -8.209 1.00 0.73 C ATOM 1075 O PRO A 122 4.596 -7.473 -9.241 1.00 1.19 O ATOM 1076 CB PRO A 122 5.106 -4.700 -8.917 1.00 0.80 C ATOM 1077 CG PRO A 122 5.728 -4.801 -10.271 1.00 1.05 C ATOM 1078 CD PRO A 122 7.206 -5.133 -10.028 1.00 0.87 C ATOM 0 HA PRO A 122 5.860 -5.559 -7.022 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.034 -4.893 -8.955 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.236 -3.705 -8.491 1.00 0.80 H new ATOM 0 HG2 PRO A 122 5.246 -5.576 -10.866 1.00 1.05 H new ATOM 0 HG3 PRO A 122 5.623 -3.866 -10.821 1.00 1.05 H new ATOM 0 HD2 PRO A 122 7.596 -5.808 -10.790 1.00 0.87 H new ATOM 0 HD3 PRO A 122 7.827 -4.237 -10.048 1.00 0.87 H new ATOM 1086 N ASP A 123 5.110 -7.854 -7.141 1.00 0.56 N ATOM 1087 CA ASP A 123 4.428 -9.174 -7.133 1.00 0.64 C ATOM 1088 C ASP A 123 4.067 -9.499 -5.687 1.00 0.58 C ATOM 1089 O ASP A 123 3.865 -10.638 -5.316 1.00 0.65 O ATOM 1090 CB ASP A 123 5.358 -10.251 -7.702 1.00 0.74 C ATOM 1091 CG ASP A 123 6.531 -10.485 -6.747 1.00 0.77 C ATOM 1092 OD1 ASP A 123 6.959 -9.529 -6.123 1.00 1.38 O ATOM 1093 OD2 ASP A 123 6.980 -11.615 -6.658 1.00 1.27 O ATOM 0 H ASP A 123 5.545 -7.594 -6.256 1.00 0.56 H new ATOM 0 HA ASP A 123 3.531 -9.144 -7.751 1.00 0.64 H new ATOM 0 HB2 ASP A 123 4.806 -11.180 -7.848 1.00 0.74 H new ATOM 0 HB3 ASP A 123 5.730 -9.943 -8.679 1.00 0.74 H new ATOM 1098 N TRP A 124 4.002 -8.483 -4.862 1.00 0.53 N ATOM 1099 CA TRP A 124 3.674 -8.681 -3.420 1.00 0.52 C ATOM 1100 C TRP A 124 2.696 -7.608 -2.975 1.00 0.51 C ATOM 1101 O TRP A 124 1.662 -7.880 -2.397 1.00 0.55 O ATOM 1102 CB TRP A 124 4.962 -8.557 -2.606 1.00 0.49 C ATOM 1103 CG TRP A 124 5.598 -7.233 -2.903 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.301 -6.935 -4.025 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.596 -6.021 -2.093 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.729 -5.623 -3.949 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.321 -5.018 -2.780 1.00 0.41 C ATOM 1108 CE3 TRP A 124 5.043 -5.698 -0.842 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 6.490 -3.741 -2.246 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 5.213 -4.413 -0.301 1.00 0.58 C ATOM 1111 CH2 TRP A 124 5.934 -3.436 -1.001 1.00 0.55 C ATOM 0 H TRP A 124 4.165 -7.513 -5.132 1.00 0.53 H new ATOM 0 HA TRP A 124 3.227 -9.664 -3.270 1.00 0.52 H new ATOM 0 HB2 TRP A 124 4.745 -8.640 -1.541 1.00 0.49 H new ATOM 0 HB3 TRP A 124 5.646 -9.368 -2.856 1.00 0.49 H new ATOM 0 HD1 TRP A 124 6.494 -7.612 -4.844 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.280 -5.159 -4.671 1.00 0.42 H new ATOM 0 HE3 TRP A 124 4.484 -6.442 -0.294 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 7.047 -2.993 -2.791 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 4.785 -4.176 0.662 1.00 0.58 H new ATOM 0 HH2 TRP A 124 6.060 -2.450 -0.579 1.00 0.55 H new ATOM 1122 N GLN A 125 3.023 -6.393 -3.253 1.00 0.53 N ATOM 1123 CA GLN A 125 2.131 -5.265 -2.870 1.00 0.60 C ATOM 1124 C GLN A 125 0.892 -5.318 -3.757 1.00 0.66 C ATOM 1125 O GLN A 125 0.661 -4.454 -4.580 1.00 0.84 O ATOM 1126 CB GLN A 125 2.864 -3.937 -3.084 1.00 0.69 C ATOM 1127 CG GLN A 125 2.079 -2.796 -2.432 1.00 1.56 C ATOM 1128 CD GLN A 125 2.945 -1.536 -2.407 1.00 2.18 C ATOM 1129 OE1 GLN A 125 2.860 -0.709 -3.294 1.00 2.78 O ATOM 1130 NE2 GLN A 125 3.780 -1.353 -1.422 1.00 2.82 N ATOM 0 H GLN A 125 3.879 -6.120 -3.735 1.00 0.53 H new ATOM 0 HA GLN A 125 1.847 -5.345 -1.821 1.00 0.60 H new ATOM 0 HB2 GLN A 125 3.865 -3.992 -2.657 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.983 -3.745 -4.150 1.00 0.69 H new ATOM 0 HG2 GLN A 125 1.160 -2.608 -2.987 1.00 1.56 H new ATOM 0 HG3 GLN A 125 1.789 -3.072 -1.418 1.00 1.56 H new ATOM 0 HE21 GLN A 125 3.851 -2.047 -0.678 1.00 2.82 H new ATOM 0 HE22 GLN A 125 4.362 -0.516 -1.396 1.00 2.82 H new ATOM 1139 N ASN A 126 0.108 -6.349 -3.608 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.111 -6.504 -4.453 1.00 0.72 C ATOM 1141 C ASN A 126 -2.196 -7.247 -3.656 1.00 0.69 C ATOM 1142 O ASN A 126 -2.096 -8.426 -3.386 1.00 1.22 O ATOM 1143 CB ASN A 126 -0.691 -7.251 -5.752 1.00 0.84 C ATOM 1144 CG ASN A 126 -1.376 -8.608 -5.906 1.00 0.89 C ATOM 1145 OD1 ASN A 126 -2.583 -8.695 -5.993 1.00 1.53 O ATOM 1146 ND2 ASN A 126 -0.629 -9.682 -5.944 1.00 0.88 N ATOM 0 H ASN A 126 0.260 -7.097 -2.932 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.539 -5.541 -4.733 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -0.929 -6.630 -6.615 1.00 0.84 H new ATOM 0 HB3 ASN A 126 0.390 -7.393 -5.750 1.00 0.84 H new ATOM 0 HD21 ASN A 126 -1.061 -10.600 -6.047 1.00 0.88 H new ATOM 0 HD22 ASN A 126 0.385 -9.601 -5.870 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.225 -6.548 -3.263 1.00 0.69 N ATOM 1154 CA TYR A 127 -4.321 -7.186 -2.479 1.00 0.61 C ATOM 1155 C TYR A 127 -5.137 -8.119 -3.373 1.00 0.63 C ATOM 1156 O TYR A 127 -4.869 -8.265 -4.549 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.229 -6.095 -1.907 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.380 -4.971 -1.364 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -3.901 -3.976 -2.226 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -4.070 -4.922 0.001 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -3.114 -2.933 -1.724 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -3.282 -3.879 0.503 1.00 1.19 C ATOM 1163 CZ TYR A 127 -2.804 -2.885 -0.360 1.00 1.23 C ATOM 1164 OH TYR A 127 -2.027 -1.857 0.133 1.00 1.48 O ATOM 0 H TYR A 127 -3.355 -5.554 -3.453 1.00 0.69 H new ATOM 0 HA TYR A 127 -3.889 -7.770 -1.667 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -5.897 -5.719 -2.682 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -5.857 -6.506 -1.116 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -4.139 -4.014 -3.279 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.439 -5.689 0.666 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -2.746 -2.166 -2.389 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -3.043 -3.841 1.556 1.00 1.19 H new ATOM 0 HH TYR A 127 -2.601 -1.192 0.567 1.00 1.48 H new ATOM 1174 N THR A 128 -6.142 -8.746 -2.820 1.00 0.62 N ATOM 1175 CA THR A 128 -6.989 -9.664 -3.629 1.00 0.68 C ATOM 1176 C THR A 128 -7.750 -8.842 -4.680 1.00 0.75 C ATOM 1177 O THR A 128 -8.062 -7.690 -4.452 1.00 0.97 O ATOM 1178 CB THR A 128 -7.988 -10.370 -2.706 1.00 0.86 C ATOM 1179 OG1 THR A 128 -8.794 -9.398 -2.056 1.00 1.22 O ATOM 1180 CG2 THR A 128 -7.234 -11.190 -1.658 1.00 0.90 C ATOM 0 H THR A 128 -6.411 -8.660 -1.840 1.00 0.62 H new ATOM 0 HA THR A 128 -6.367 -10.408 -4.126 1.00 0.68 H new ATOM 0 HB THR A 128 -8.618 -11.035 -3.296 1.00 0.86 H new ATOM 0 HG1 THR A 128 -8.431 -9.215 -1.164 1.00 1.22 H new ATOM 0 HG21 THR A 128 -7.949 -11.690 -1.004 1.00 0.90 H new ATOM 0 HG22 THR A 128 -6.614 -11.936 -2.156 1.00 0.90 H new ATOM 0 HG23 THR A 128 -6.601 -10.529 -1.066 1.00 0.90 H new ATOM 1249 N ARG A 134 -10.098 -5.085 1.328 1.00 0.51 N ATOM 1250 CA ARG A 134 -9.184 -5.969 0.544 1.00 0.49 C ATOM 1251 C ARG A 134 -7.944 -6.305 1.392 1.00 0.40 C ATOM 1252 O ARG A 134 -7.255 -5.430 1.880 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.781 -5.249 -0.763 1.00 0.58 C ATOM 1254 CG ARG A 134 -8.717 -6.244 -1.943 1.00 1.06 C ATOM 1255 CD ARG A 134 -10.132 -6.653 -2.404 1.00 1.37 C ATOM 1256 NE ARG A 134 -10.590 -7.846 -1.636 1.00 1.86 N ATOM 1257 CZ ARG A 134 -11.855 -8.164 -1.612 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -12.723 -7.440 -2.263 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -12.253 -9.206 -0.933 1.00 3.36 N ATOM 0 HA ARG A 134 -9.688 -6.901 0.289 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -9.500 -4.461 -0.985 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.811 -4.769 -0.634 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -8.177 -5.792 -2.775 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -8.158 -7.131 -1.645 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -10.826 -5.826 -2.255 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -10.126 -6.877 -3.471 1.00 1.37 H new ATOM 0 HE ARG A 134 -9.913 -8.415 -1.128 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -12.413 -6.625 -2.791 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -13.712 -7.689 -2.244 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -11.575 -9.771 -0.422 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -13.242 -9.455 -0.914 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.669 -7.576 1.574 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.488 -7.994 2.395 1.00 0.39 C ATOM 1275 C TYR A 135 -5.245 -8.131 1.496 1.00 0.36 C ATOM 1276 O TYR A 135 -5.360 -8.418 0.321 1.00 0.39 O ATOM 1277 CB TYR A 135 -6.794 -9.353 3.046 1.00 0.46 C ATOM 1278 CG TYR A 135 -7.707 -9.158 4.234 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.084 -9.005 4.038 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -7.177 -9.133 5.531 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -9.932 -8.826 5.137 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -8.026 -8.955 6.630 1.00 0.85 C ATOM 1283 CZ TYR A 135 -9.404 -8.801 6.433 1.00 0.92 C ATOM 1284 OH TYR A 135 -10.240 -8.627 7.517 1.00 1.17 O ATOM 0 H TYR A 135 -8.215 -8.345 1.187 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.293 -7.244 3.161 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.264 -10.017 2.320 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -5.867 -9.832 3.363 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.493 -9.025 3.038 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -6.114 -9.251 5.683 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -10.995 -8.707 4.985 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -7.618 -8.936 7.630 1.00 0.85 H new ATOM 0 HH TYR A 135 -9.854 -9.069 8.302 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.061 -7.954 2.046 1.00 0.37 N ATOM 1295 CA PRO A 136 -2.788 -8.091 1.274 1.00 0.38 C ATOM 1296 C PRO A 136 -2.451 -9.567 1.018 1.00 0.37 C ATOM 1297 O PRO A 136 -2.385 -10.358 1.938 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.743 -7.450 2.197 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.271 -7.681 3.573 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.796 -7.600 3.457 1.00 0.44 C ATOM 0 HA PRO A 136 -2.839 -7.624 0.291 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.763 -7.908 2.066 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.628 -6.386 1.989 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -1.959 -8.654 3.953 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.892 -6.932 4.268 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.287 -8.291 4.142 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.163 -6.602 3.695 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.242 -9.955 -0.212 1.00 0.40 N ATOM 1309 CA LEU A 137 -1.920 -11.387 -0.470 1.00 0.43 C ATOM 1310 C LEU A 137 -0.619 -11.745 0.245 1.00 0.41 C ATOM 1311 O LEU A 137 -0.482 -12.819 0.799 1.00 0.38 O ATOM 1312 CB LEU A 137 -1.762 -11.635 -1.974 1.00 0.51 C ATOM 1313 CG LEU A 137 -3.115 -11.448 -2.689 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -2.885 -11.240 -4.189 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -4.001 -12.690 -2.502 1.00 0.92 C ATOM 0 H LEU A 137 -2.279 -9.354 -1.035 1.00 0.40 H new ATOM 0 HA LEU A 137 -2.733 -12.009 -0.096 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.025 -10.947 -2.388 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -1.388 -12.644 -2.146 1.00 0.51 H new ATOM 0 HG LEU A 137 -3.610 -10.578 -2.257 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -3.844 -11.108 -4.689 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -2.271 -10.353 -4.343 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -2.376 -12.110 -4.603 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -4.952 -12.539 -3.014 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -3.498 -13.562 -2.920 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.182 -12.851 -1.439 1.00 0.92 H new ATOM 1327 N THR A 138 0.339 -10.858 0.249 1.00 0.50 N ATOM 1328 CA THR A 138 1.618 -11.165 0.945 1.00 0.55 C ATOM 1329 C THR A 138 1.338 -11.296 2.447 1.00 0.47 C ATOM 1330 O THR A 138 0.246 -11.030 2.908 1.00 0.50 O ATOM 1331 CB THR A 138 2.641 -10.038 0.684 1.00 0.73 C ATOM 1332 OG1 THR A 138 2.296 -9.362 -0.516 1.00 0.98 O ATOM 1333 CG2 THR A 138 4.053 -10.620 0.546 1.00 1.04 C ATOM 0 H THR A 138 0.291 -9.942 -0.196 1.00 0.50 H new ATOM 0 HA THR A 138 2.035 -12.099 0.569 1.00 0.55 H new ATOM 0 HB THR A 138 2.624 -9.344 1.524 1.00 0.73 H new ATOM 0 HG1 THR A 138 2.211 -8.402 -0.338 1.00 0.98 H new ATOM 0 HG21 THR A 138 4.763 -9.813 0.362 1.00 1.04 H new ATOM 0 HG22 THR A 138 4.324 -11.139 1.465 1.00 1.04 H new ATOM 0 HG23 THR A 138 4.077 -11.322 -0.288 1.00 1.04 H new ATOM 1341 N PHE A 139 2.314 -11.707 3.207 1.00 0.51 N ATOM 1342 CA PHE A 139 2.117 -11.867 4.683 1.00 0.49 C ATOM 1343 C PHE A 139 2.720 -10.684 5.428 1.00 0.65 C ATOM 1344 O PHE A 139 2.032 -9.803 5.905 1.00 1.43 O ATOM 1345 CB PHE A 139 2.795 -13.166 5.136 1.00 0.52 C ATOM 1346 CG PHE A 139 2.745 -13.283 6.648 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.510 -13.298 7.314 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.934 -13.380 7.385 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.468 -13.409 8.708 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.888 -13.490 8.780 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.655 -13.504 9.441 1.00 0.66 C ATOM 0 H PHE A 139 3.248 -11.942 2.871 1.00 0.51 H new ATOM 0 HA PHE A 139 1.050 -11.908 4.904 1.00 0.49 H new ATOM 0 HB2 PHE A 139 2.297 -14.022 4.681 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.831 -13.182 4.797 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.592 -13.224 6.750 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.886 -13.370 6.876 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.517 -13.421 9.219 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.805 -13.564 9.346 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.620 -13.588 10.517 1.00 0.66 H new ATOM 1361 N GLY A 140 4.004 -10.686 5.541 1.00 0.46 N ATOM 1362 CA GLY A 140 4.715 -9.593 6.269 1.00 0.43 C ATOM 1363 C GLY A 140 4.127 -8.224 5.909 1.00 0.35 C ATOM 1364 O GLY A 140 4.204 -7.289 6.681 1.00 0.32 O ATOM 0 H GLY A 140 4.613 -11.408 5.156 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.637 -9.756 7.344 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.776 -9.615 6.020 1.00 0.43 H new ATOM 1368 N TRP A 141 3.540 -8.091 4.752 1.00 0.34 N ATOM 1369 CA TRP A 141 2.954 -6.771 4.369 1.00 0.29 C ATOM 1370 C TRP A 141 1.677 -6.564 5.175 1.00 0.32 C ATOM 1371 O TRP A 141 0.614 -7.036 4.824 1.00 0.40 O ATOM 1372 CB TRP A 141 2.670 -6.767 2.862 1.00 0.33 C ATOM 1373 CG TRP A 141 2.311 -5.393 2.359 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.225 -5.132 1.594 1.00 0.35 C ATOM 1375 CD2 TRP A 141 3.006 -4.107 2.528 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.201 -3.787 1.281 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.269 -3.113 1.832 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.181 -3.699 3.203 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.678 -1.778 1.804 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.590 -2.354 3.172 1.00 0.31 C ATOM 1381 CH2 TRP A 141 3.840 -1.397 2.475 1.00 0.33 C ATOM 0 H TRP A 141 3.440 -8.832 4.058 1.00 0.34 H new ATOM 0 HA TRP A 141 3.644 -5.956 4.585 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.547 -7.131 2.327 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.855 -7.457 2.645 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.493 -5.861 1.278 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.480 -3.346 0.711 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.768 -4.426 3.746 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.097 -1.044 1.265 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.490 -2.056 3.690 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.161 -0.366 2.457 1.00 0.33 H new ATOM 1392 N CYS A 142 1.796 -5.891 6.288 1.00 0.31 N ATOM 1393 CA CYS A 142 0.622 -5.676 7.177 1.00 0.40 C ATOM 1394 C CYS A 142 -0.214 -4.471 6.733 1.00 0.39 C ATOM 1395 O CYS A 142 -0.690 -3.713 7.554 1.00 0.48 O ATOM 1396 CB CYS A 142 1.134 -5.451 8.602 1.00 0.47 C ATOM 1397 SG CYS A 142 2.664 -6.389 8.847 1.00 1.45 S ATOM 0 H CYS A 142 2.667 -5.477 6.621 1.00 0.31 H new ATOM 0 HA CYS A 142 -0.021 -6.555 7.128 1.00 0.40 H new ATOM 0 HB2 CYS A 142 1.314 -4.390 8.772 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.381 -5.766 9.325 1.00 0.47 H new ATOM 0 HG CYS A 142 2.965 -7.022 7.752 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.411 -4.290 5.458 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.235 -3.134 4.975 1.00 0.40 C ATOM 1405 C TYR A 143 -2.606 -3.668 4.541 1.00 0.43 C ATOM 1406 O TYR A 143 -2.702 -4.597 3.766 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.514 -2.472 3.785 1.00 0.55 C ATOM 1408 CG TYR A 143 0.297 -1.284 4.260 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.337 -0.060 4.481 1.00 2.16 C ATOM 1410 CD2 TYR A 143 1.675 -1.409 4.479 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.403 1.046 4.920 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.416 -0.305 4.918 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.780 0.923 5.138 1.00 3.52 C ATOM 1414 OH TYR A 143 2.510 2.012 5.570 1.00 4.57 O ATOM 0 H TYR A 143 -0.038 -4.891 4.723 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.368 -2.393 5.763 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.139 -3.196 3.298 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -1.243 -2.150 3.042 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.400 0.035 4.313 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.165 -2.356 4.309 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -0.089 1.992 5.090 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.478 -0.401 5.087 1.00 3.14 H new ATOM 0 HH TYR A 143 3.450 1.756 5.673 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.668 -3.089 5.051 1.00 0.39 N ATOM 1425 CA LYS A 144 -5.047 -3.558 4.694 1.00 0.51 C ATOM 1426 C LYS A 144 -5.897 -2.363 4.257 1.00 0.43 C ATOM 1427 O LYS A 144 -6.103 -1.427 5.004 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.688 -4.206 5.926 1.00 0.70 C ATOM 1429 CG LYS A 144 -4.870 -5.433 6.354 1.00 1.21 C ATOM 1430 CD LYS A 144 -5.163 -5.767 7.820 1.00 1.24 C ATOM 1431 CE LYS A 144 -6.669 -5.935 8.013 1.00 1.57 C ATOM 1432 NZ LYS A 144 -6.936 -6.547 9.345 1.00 2.32 N ATOM 0 H LYS A 144 -3.639 -2.306 5.704 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.989 -4.280 3.880 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -5.736 -3.486 6.743 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -6.713 -4.501 5.701 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -5.117 -6.285 5.721 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -3.806 -5.236 6.222 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -4.645 -6.682 8.106 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -4.789 -4.973 8.467 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -7.166 -4.967 7.940 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -7.079 -6.564 7.223 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -7.961 -6.661 9.475 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -6.475 -7.478 9.398 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -6.558 -5.930 10.092 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.393 -2.389 3.051 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.233 -1.259 2.564 1.00 0.37 C ATOM 1448 C LEU A 145 -8.645 -1.383 3.149 1.00 0.38 C ATOM 1449 O LEU A 145 -9.107 -2.470 3.447 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.285 -1.298 1.033 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.952 -0.778 0.448 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.706 -1.407 -0.928 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.994 0.755 0.308 1.00 0.52 C ATOM 0 H LEU A 145 -6.253 -3.145 2.381 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.804 -0.309 2.883 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.469 -2.317 0.693 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -8.113 -0.687 0.673 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.143 -1.054 1.125 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.765 -1.036 -1.335 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.656 -2.491 -0.829 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.522 -1.141 -1.601 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -5.049 1.109 -0.105 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.810 1.037 -0.358 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -6.153 1.206 1.288 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.332 -0.279 3.318 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.710 -0.328 3.901 1.00 0.50 C ATOM 1467 C VAL A 146 -11.461 0.964 3.511 1.00 0.59 C ATOM 1468 O VAL A 146 -10.946 2.048 3.704 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.590 -0.390 5.441 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.959 -0.173 6.104 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -10.037 -1.757 5.871 1.00 0.56 C ATOM 0 H VAL A 146 -8.998 0.654 3.077 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.248 -1.200 3.529 1.00 0.50 H new ATOM 0 HB VAL A 146 -9.911 0.401 5.759 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.850 -0.221 7.188 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.349 0.805 5.821 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.650 -0.949 5.774 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.956 -1.791 6.957 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.710 -2.545 5.532 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -9.052 -1.906 5.429 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.668 0.874 2.977 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.449 2.088 2.590 1.00 0.81 C ATOM 1483 C PRO A 147 -14.023 2.810 3.817 1.00 0.91 C ATOM 1484 O PRO A 147 -14.320 2.200 4.824 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.571 1.529 1.704 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.787 0.137 2.201 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.420 -0.366 2.678 1.00 0.75 C ATOM 0 HA PRO A 147 -12.835 2.832 2.083 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.479 2.126 1.791 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.285 1.534 0.652 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.512 0.123 3.015 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.182 -0.501 1.411 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.513 -0.999 3.560 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.923 -0.959 1.911 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.213 4.160 -1.210 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.810 3.237 -0.088 1.00 0.52 C ATOM 1782 C LEU A 181 -8.551 3.760 0.615 1.00 0.47 C ATOM 1783 O LEU A 181 -7.596 4.149 -0.014 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.524 1.845 -0.651 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.661 1.408 -1.579 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.311 0.056 -2.205 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.962 1.276 -0.776 1.00 0.87 C ATOM 0 HA LEU A 181 -10.626 3.190 0.633 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.581 1.852 -1.197 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.415 1.130 0.164 1.00 0.60 H new ATOM 0 HG LEU A 181 -10.795 2.153 -2.363 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.118 -0.259 -2.866 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.388 0.148 -2.777 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -10.177 -0.686 -1.418 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.769 0.965 -1.439 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.831 0.532 0.010 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.212 2.237 -0.327 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.541 3.764 1.922 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.340 4.261 2.672 1.00 0.45 C ATOM 1801 C GLU A 182 -6.470 3.099 3.152 1.00 0.42 C ATOM 1802 O GLU A 182 -6.952 2.075 3.595 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.806 5.079 3.880 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.854 4.286 4.664 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.280 5.080 5.900 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -8.914 6.239 5.990 1.00 1.62 O ATOM 1807 OE2 GLU A 182 -9.968 4.515 6.735 1.00 1.49 O ATOM 0 H GLU A 182 -9.313 3.445 2.508 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.744 4.881 2.002 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -6.957 5.313 4.522 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.227 6.028 3.549 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.719 4.085 4.033 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.446 3.320 4.963 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.175 3.277 3.071 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.223 2.224 3.522 1.00 0.38 C ATOM 1816 C TRP A 183 -4.195 2.215 5.056 1.00 0.37 C ATOM 1817 O TRP A 183 -3.677 3.124 5.674 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.814 2.565 2.995 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.606 2.019 1.615 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.364 0.721 1.315 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.593 2.741 0.352 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.201 0.603 -0.055 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.336 1.822 -0.694 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.779 4.092 0.016 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -2.265 2.236 -2.028 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.710 4.511 -1.321 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -2.452 3.584 -2.340 1.00 0.41 C ATOM 0 H TRP A 183 -4.734 4.121 2.706 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.532 1.249 3.146 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.678 3.646 2.986 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.062 2.155 3.669 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.307 -0.089 2.027 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -2.005 -0.276 -0.534 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.977 4.815 0.794 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -2.067 1.519 -2.811 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.856 5.553 -1.566 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -2.398 3.913 -3.367 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.740 1.203 5.679 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.730 1.155 7.175 1.00 0.35 C ATOM 1840 C ARG A 184 -3.526 0.339 7.651 1.00 0.31 C ATOM 1841 O ARG A 184 -3.520 -0.874 7.588 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.019 0.499 7.678 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.092 0.622 9.203 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.501 0.269 9.677 1.00 1.51 C ATOM 1845 NE ARG A 184 -8.435 1.374 9.321 1.00 1.57 N ATOM 1846 CZ ARG A 184 -9.724 1.178 9.370 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -10.193 0.015 9.732 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -10.543 2.144 9.059 1.00 2.61 N ATOM 0 H ARG A 184 -5.190 0.410 5.221 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.663 2.170 7.568 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.885 0.978 7.222 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.044 -0.551 7.385 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -5.364 -0.043 9.667 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -5.838 1.637 9.509 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -7.829 -0.662 9.215 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -7.504 0.109 10.755 1.00 1.51 H new ATOM 0 HE ARG A 184 -8.067 2.283 9.039 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -9.552 -0.740 9.976 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -11.201 -0.139 9.771 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -10.176 3.053 8.777 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -11.551 1.991 9.097 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.507 0.998 8.128 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.301 0.266 8.613 1.00 0.31 C ATOM 1864 C PHE A 185 -1.659 -0.526 9.875 1.00 0.31 C ATOM 1865 O PHE A 185 -2.293 -0.017 10.777 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.198 1.281 8.937 1.00 0.40 C ATOM 1867 CG PHE A 185 0.973 0.583 9.591 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.924 0.259 10.954 1.00 0.65 C ATOM 1869 CD2 PHE A 185 2.110 0.265 8.838 1.00 0.62 C ATOM 1870 CE1 PHE A 185 2.011 -0.383 11.560 1.00 0.75 C ATOM 1871 CE2 PHE A 185 3.196 -0.376 9.445 1.00 0.74 C ATOM 1872 CZ PHE A 185 3.146 -0.701 10.806 1.00 0.71 C ATOM 0 H PHE A 185 -2.456 2.014 8.204 1.00 0.31 H new ATOM 0 HA PHE A 185 -0.951 -0.423 7.844 1.00 0.31 H new ATOM 0 HB2 PHE A 185 0.129 1.779 8.024 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.587 2.054 9.600 1.00 0.40 H new ATOM 0 HD1 PHE A 185 0.048 0.504 11.536 1.00 0.65 H new ATOM 0 HD2 PHE A 185 2.149 0.515 7.788 1.00 0.62 H new ATOM 0 HE1 PHE A 185 1.973 -0.633 12.610 1.00 0.75 H new ATOM 0 HE2 PHE A 185 4.073 -0.620 8.864 1.00 0.74 H new ATOM 0 HZ PHE A 185 3.983 -1.197 11.274 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.264 -1.771 9.943 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.587 -2.596 11.139 1.00 0.32 C ATOM 1884 C ASP A 186 -0.550 -3.717 11.288 1.00 0.30 C ATOM 1885 O ASP A 186 -0.826 -4.864 11.009 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.974 -3.201 10.930 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.554 -3.657 12.272 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -2.832 -3.608 13.255 1.00 1.16 O ATOM 1889 OD2 ASP A 186 -4.709 -4.047 12.292 1.00 1.23 O ATOM 0 H ASP A 186 -0.730 -2.251 9.218 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.571 -1.984 12.041 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.635 -2.466 10.470 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.912 -4.047 10.245 1.00 0.37 H new ATOM 1894 N SER A 187 0.638 -3.384 11.726 1.00 0.33 N ATOM 1895 CA SER A 187 1.712 -4.416 11.895 1.00 0.34 C ATOM 1896 C SER A 187 1.177 -5.638 12.668 1.00 0.35 C ATOM 1897 O SER A 187 1.869 -6.623 12.827 1.00 0.37 O ATOM 1898 CB SER A 187 2.896 -3.783 12.649 1.00 0.40 C ATOM 1899 OG SER A 187 3.935 -3.498 11.721 1.00 1.32 O ATOM 0 H SER A 187 0.914 -2.434 11.976 1.00 0.33 H new ATOM 0 HA SER A 187 2.041 -4.759 10.914 1.00 0.34 H new ATOM 0 HB2 SER A 187 2.578 -2.869 13.151 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.257 -4.462 13.422 1.00 0.40 H new ATOM 0 HG SER A 187 4.644 -2.991 12.169 1.00 1.32 H new ATOM 1905 N ARG A 188 -0.040 -5.595 13.142 1.00 0.40 N ATOM 1906 CA ARG A 188 -0.582 -6.768 13.886 1.00 0.46 C ATOM 1907 C ARG A 188 -0.518 -7.987 12.962 1.00 0.42 C ATOM 1908 O ARG A 188 -0.368 -9.110 13.401 1.00 0.43 O ATOM 1909 CB ARG A 188 -2.037 -6.477 14.288 1.00 0.58 C ATOM 1910 CG ARG A 188 -2.751 -7.774 14.710 1.00 1.40 C ATOM 1911 CD ARG A 188 -3.913 -7.442 15.658 1.00 1.75 C ATOM 1912 NE ARG A 188 -4.515 -6.139 15.257 1.00 2.37 N ATOM 1913 CZ ARG A 188 -5.673 -5.777 15.740 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -6.304 -6.552 16.578 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -6.199 -4.635 15.385 1.00 3.87 N ATOM 0 H ARG A 188 -0.678 -4.805 13.047 1.00 0.40 H new ATOM 0 HA ARG A 188 -0.001 -6.961 14.788 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -2.057 -5.761 15.109 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -2.566 -6.019 13.452 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -3.125 -8.297 13.830 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -2.047 -8.444 15.203 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -4.665 -8.230 15.621 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -3.556 -7.390 16.686 1.00 1.75 H new ATOM 0 HE ARG A 188 -4.022 -5.529 14.605 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -5.893 -7.443 16.857 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -7.208 -6.267 16.954 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -5.705 -4.027 14.731 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -7.103 -4.351 15.762 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.604 -7.758 11.684 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.521 -8.872 10.701 1.00 0.46 C ATOM 1931 C LEU A 189 0.879 -9.495 10.810 1.00 0.41 C ATOM 1932 O LEU A 189 1.218 -10.426 10.108 1.00 0.46 O ATOM 1933 CB LEU A 189 -0.751 -8.287 9.290 1.00 0.57 C ATOM 1934 CG LEU A 189 -1.514 -9.259 8.367 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -0.673 -10.512 8.131 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -2.890 -9.637 8.965 1.00 1.78 C ATOM 0 H LEU A 189 -0.730 -6.833 11.272 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.271 -9.639 10.894 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -1.310 -7.355 9.373 1.00 0.57 H new ATOM 0 HB3 LEU A 189 0.211 -8.043 8.840 1.00 0.57 H new ATOM 0 HG LEU A 189 -1.693 -8.761 7.414 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -1.215 -11.196 7.479 1.00 1.46 H new ATOM 0 HD12 LEU A 189 0.271 -10.234 7.661 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -0.473 -11.001 9.084 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -3.403 -10.323 8.291 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -2.746 -10.118 9.933 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -3.491 -8.737 9.093 1.00 1.78 H new ATOM 1948 N ALA A 190 1.695 -8.973 11.686 1.00 0.37 N ATOM 1949 CA ALA A 190 3.071 -9.517 11.841 1.00 0.42 C ATOM 1950 C ALA A 190 2.995 -10.863 12.560 1.00 0.44 C ATOM 1951 O ALA A 190 3.961 -11.600 12.618 1.00 0.53 O ATOM 1952 CB ALA A 190 3.914 -8.545 12.669 1.00 0.47 C ATOM 0 H ALA A 190 1.466 -8.192 12.301 1.00 0.37 H new ATOM 0 HA ALA A 190 3.529 -9.647 10.860 1.00 0.42 H new ATOM 0 HB1 ALA A 190 4.922 -8.943 12.783 1.00 0.47 H new ATOM 0 HB2 ALA A 190 3.960 -7.581 12.163 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.461 -8.417 13.652 1.00 0.47 H new ATOM 1958 N PHE A 191 1.847 -11.197 13.101 1.00 0.42 N ATOM 1959 CA PHE A 191 1.700 -12.509 13.811 1.00 0.51 C ATOM 1960 C PHE A 191 0.337 -13.130 13.477 1.00 0.56 C ATOM 1961 O PHE A 191 0.224 -14.324 13.283 1.00 0.96 O ATOM 1962 CB PHE A 191 1.855 -12.303 15.329 1.00 0.58 C ATOM 1963 CG PHE A 191 0.581 -11.760 15.941 1.00 1.14 C ATOM 1964 CD1 PHE A 191 -0.499 -12.618 16.181 1.00 1.98 C ATOM 1965 CD2 PHE A 191 0.487 -10.403 16.283 1.00 1.81 C ATOM 1966 CE1 PHE A 191 -1.672 -12.121 16.761 1.00 2.87 C ATOM 1967 CE2 PHE A 191 -0.688 -9.909 16.860 1.00 2.75 C ATOM 1968 CZ PHE A 191 -1.767 -10.767 17.101 1.00 3.15 C ATOM 0 H PHE A 191 1.007 -10.619 13.082 1.00 0.42 H new ATOM 0 HA PHE A 191 2.480 -13.193 13.478 1.00 0.51 H new ATOM 0 HB2 PHE A 191 2.114 -13.250 15.803 1.00 0.58 H new ATOM 0 HB3 PHE A 191 2.677 -11.614 15.523 1.00 0.58 H new ATOM 0 HD1 PHE A 191 -0.427 -13.663 15.919 1.00 1.98 H new ATOM 0 HD2 PHE A 191 1.320 -9.740 16.101 1.00 1.81 H new ATOM 0 HE1 PHE A 191 -2.505 -12.783 16.946 1.00 2.87 H new ATOM 0 HE2 PHE A 191 -0.762 -8.863 17.120 1.00 2.75 H new ATOM 0 HZ PHE A 191 -2.672 -10.384 17.549 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.698 -12.336 13.396 1.00 0.64 N ATOM 1979 CA HIS A 192 -2.038 -12.901 13.060 1.00 0.72 C ATOM 1980 C HIS A 192 -2.061 -13.261 11.571 1.00 0.67 C ATOM 1981 O HIS A 192 -1.101 -13.040 10.863 1.00 1.26 O ATOM 1982 CB HIS A 192 -3.129 -11.869 13.361 1.00 1.01 C ATOM 1983 CG HIS A 192 -4.474 -12.542 13.350 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -4.625 -13.894 13.618 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -5.739 -12.065 13.108 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -5.937 -14.181 13.532 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -6.661 -13.102 13.224 1.00 3.35 N ATOM 0 H HIS A 192 -0.674 -11.327 13.547 1.00 0.64 H new ATOM 0 HA HIS A 192 -2.224 -13.792 13.660 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.950 -11.407 14.332 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -3.104 -11.071 12.619 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -5.982 -11.041 12.865 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -6.354 -15.164 13.693 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -7.672 -13.049 13.100 1.00 3.35 H new ATOM 1995 N HIS A 193 -3.138 -13.822 11.086 1.00 0.77 N ATOM 1996 CA HIS A 193 -3.184 -14.195 9.639 1.00 0.85 C ATOM 1997 C HIS A 193 -4.631 -14.440 9.198 1.00 0.74 C ATOM 1998 O HIS A 193 -5.100 -15.560 9.173 1.00 0.78 O ATOM 1999 CB HIS A 193 -2.372 -15.474 9.431 1.00 1.28 C ATOM 2000 CG HIS A 193 -2.815 -16.513 10.424 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -3.475 -17.671 10.039 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -2.704 -16.582 11.791 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -3.734 -18.379 11.154 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -3.284 -17.761 12.249 1.00 3.87 N ATOM 0 H HIS A 193 -3.979 -14.037 11.621 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.767 -13.381 9.046 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -2.509 -15.844 8.415 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -1.309 -15.267 9.554 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -2.237 -15.835 12.416 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -4.244 -19.331 11.162 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -3.351 -18.084 13.214 1.00 3.87 H new ATOM 2012 N MET A 194 -5.342 -13.403 8.839 1.00 0.73 N ATOM 2013 CA MET A 194 -6.755 -13.584 8.390 1.00 0.79 C ATOM 2014 C MET A 194 -6.778 -14.031 6.923 1.00 0.75 C ATOM 2015 O MET A 194 -7.588 -14.843 6.524 1.00 0.90 O ATOM 2016 CB MET A 194 -7.514 -12.259 8.534 1.00 0.91 C ATOM 2017 CG MET A 194 -7.891 -12.034 10.000 1.00 1.47 C ATOM 2018 SD MET A 194 -8.607 -10.381 10.193 1.00 2.35 S ATOM 2019 CE MET A 194 -9.239 -10.574 11.882 1.00 2.94 C ATOM 0 H MET A 194 -5.006 -12.440 8.837 1.00 0.73 H new ATOM 0 HA MET A 194 -7.233 -14.345 9.007 1.00 0.79 H new ATOM 0 HB2 MET A 194 -6.896 -11.435 8.177 1.00 0.91 H new ATOM 0 HB3 MET A 194 -8.412 -12.275 7.916 1.00 0.91 H new ATOM 0 HG2 MET A 194 -8.605 -12.791 10.323 1.00 1.47 H new ATOM 0 HG3 MET A 194 -7.010 -12.136 10.633 1.00 1.47 H new ATOM 0 HE1 MET A 194 -9.725 -9.651 12.196 1.00 2.94 H new ATOM 0 HE2 MET A 194 -9.960 -11.391 11.910 1.00 2.94 H new ATOM 0 HE3 MET A 194 -8.412 -10.796 12.557 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.900 -13.497 6.117 1.00 0.66 N ATOM 2030 CA ALA A 195 -5.873 -13.879 4.674 1.00 0.76 C ATOM 2031 C ALA A 195 -5.839 -15.405 4.538 1.00 0.90 C ATOM 2032 O ALA A 195 -6.165 -15.954 3.503 1.00 1.11 O ATOM 2033 CB ALA A 195 -4.626 -13.284 4.014 1.00 0.82 C ATOM 0 H ALA A 195 -5.198 -12.811 6.396 1.00 0.66 H new ATOM 0 HA ALA A 195 -6.768 -13.495 4.185 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -4.604 -13.562 2.960 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -4.651 -12.198 4.103 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -3.734 -13.668 4.509 1.00 0.82 H new