USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=24 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= -1 K(o=-1,f=-4.4!) USER MOD Set 1.2: A 194 MET CE :methyl -178:sc= 0 (180deg=-0.00342) USER MOD Set 2.1: A 88 SER OG : rot 159:sc= -0.149 USER MOD Set 2.2: A 89 HIS : no HD1:sc= -0.0407 X(o=-0.94,f=-1) USER MOD Set 2.3: A 142 CYS SG : rot -73:sc= -0.755 USER MOD Set 3.1: A 117 THR OG1 : rot -7:sc= -1.41! USER MOD Set 3.2: A 118 GLN :FLIP amide:sc= -3.01! C(o=-12!,f=-4.4!) USER MOD Single : A 79 MET CE :methyl 160:sc= 0 (180deg=-0.00455) USER MOD Single : A 80 THR OG1 : rot 180:sc= -5.15! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= -0.202 (180deg=-1.05) USER MOD Single : A 92 LYS NZ :NH3+ -166:sc= 1.07 (180deg=0.917) USER MOD Single : A 94 LYS NZ :NH3+ -142:sc= -0.281 (180deg=-0.945) USER MOD Single : A 102 HIS : no HD1:sc= -4.33! C(o=-4.3!,f=-5.2!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 107 GLN :FLIP amide:sc= -0.0238 F(o=-0.84,f=-0.024) USER MOD Single : A 115 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 116 HIS : no HD1:sc= -0.871 K(o=-0.87,f=-5.2!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -1.02 K(o=-1,f=-1.8!) USER MOD Single : A 126 ASN :FLIP amide:sc= -2.62! C(o=-6.5!,f=-2.6!) USER MOD Single : A 127 TYR OH : rot -136:sc= 0.658 USER MOD Single : A 128 THR OG1 : rot 130:sc= 0.331 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -136:sc= 0.983 USER MOD Single : A 143 TYR OH : rot 180:sc= -0.0748 USER MOD Single : A 144 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.285) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 193 HIS : no HE2:sc= -0.231! C(o=-0.23!,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 19.935 -0.426 -6.865 1.00 1.04 N ATOM 275 CA VAL A 74 20.709 -1.690 -6.926 1.00 0.93 C ATOM 276 C VAL A 74 19.879 -2.786 -7.629 1.00 0.86 C ATOM 277 O VAL A 74 18.664 -2.744 -7.620 1.00 0.89 O ATOM 278 CB VAL A 74 21.010 -2.092 -5.462 1.00 1.09 C ATOM 279 CG1 VAL A 74 21.236 -0.819 -4.621 1.00 1.17 C ATOM 280 CG2 VAL A 74 19.840 -2.896 -4.867 1.00 1.38 C ATOM 0 HA VAL A 74 21.631 -1.565 -7.493 1.00 0.93 H new ATOM 0 HB VAL A 74 21.904 -2.715 -5.446 1.00 1.09 H new ATOM 0 HG11 VAL A 74 21.448 -1.098 -3.589 1.00 1.17 H new ATOM 0 HG12 VAL A 74 22.079 -0.260 -5.027 1.00 1.17 H new ATOM 0 HG13 VAL A 74 20.340 -0.198 -4.652 1.00 1.17 H new ATOM 0 HG21 VAL A 74 20.072 -3.169 -3.837 1.00 1.38 H new ATOM 0 HG22 VAL A 74 18.935 -2.289 -4.886 1.00 1.38 H new ATOM 0 HG23 VAL A 74 19.684 -3.800 -5.455 1.00 1.38 H new ATOM 290 N PRO A 75 20.531 -3.759 -8.239 1.00 0.93 N ATOM 291 CA PRO A 75 19.844 -4.870 -8.956 1.00 1.00 C ATOM 292 C PRO A 75 18.545 -5.324 -8.278 1.00 0.88 C ATOM 293 O PRO A 75 18.274 -5.002 -7.138 1.00 0.84 O ATOM 294 CB PRO A 75 20.884 -5.989 -8.933 1.00 1.18 C ATOM 295 CG PRO A 75 22.204 -5.283 -8.994 1.00 1.37 C ATOM 296 CD PRO A 75 22.001 -3.913 -8.318 1.00 1.13 C ATOM 0 HA PRO A 75 19.530 -4.569 -9.955 1.00 1.00 H new ATOM 0 HB2 PRO A 75 20.798 -6.591 -8.028 1.00 1.18 H new ATOM 0 HB3 PRO A 75 20.757 -6.665 -9.779 1.00 1.18 H new ATOM 0 HG2 PRO A 75 22.975 -5.858 -8.481 1.00 1.37 H new ATOM 0 HG3 PRO A 75 22.531 -5.161 -10.027 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.458 -3.886 -7.329 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.454 -3.111 -8.900 1.00 1.13 H new ATOM 304 N LEU A 76 17.745 -6.078 -8.984 1.00 0.86 N ATOM 305 CA LEU A 76 16.459 -6.568 -8.410 1.00 0.77 C ATOM 306 C LEU A 76 16.732 -7.485 -7.212 1.00 0.77 C ATOM 307 O LEU A 76 17.051 -8.647 -7.368 1.00 0.85 O ATOM 308 CB LEU A 76 15.697 -7.357 -9.481 1.00 0.84 C ATOM 309 CG LEU A 76 15.271 -6.434 -10.637 1.00 0.87 C ATOM 310 CD1 LEU A 76 14.649 -7.286 -11.753 1.00 1.01 C ATOM 311 CD2 LEU A 76 14.243 -5.394 -10.139 1.00 0.76 C ATOM 0 H LEU A 76 17.929 -6.377 -9.941 1.00 0.86 H new ATOM 0 HA LEU A 76 15.867 -5.714 -8.081 1.00 0.77 H new ATOM 0 HB2 LEU A 76 16.326 -8.161 -9.864 1.00 0.84 H new ATOM 0 HB3 LEU A 76 14.817 -7.824 -9.039 1.00 0.84 H new ATOM 0 HG LEU A 76 16.144 -5.905 -11.018 1.00 0.87 H new ATOM 0 HD11 LEU A 76 14.344 -6.640 -12.577 1.00 1.01 H new ATOM 0 HD12 LEU A 76 15.382 -8.009 -12.111 1.00 1.01 H new ATOM 0 HD13 LEU A 76 13.778 -7.815 -11.365 1.00 1.01 H new ATOM 0 HD21 LEU A 76 13.950 -4.747 -10.966 1.00 0.76 H new ATOM 0 HD22 LEU A 76 13.364 -5.908 -9.751 1.00 0.76 H new ATOM 0 HD23 LEU A 76 14.689 -4.791 -9.348 1.00 0.76 H new ATOM 323 N ARG A 77 16.599 -6.975 -6.017 1.00 0.74 N ATOM 324 CA ARG A 77 16.840 -7.824 -4.812 1.00 0.79 C ATOM 325 C ARG A 77 15.591 -8.690 -4.556 1.00 0.71 C ATOM 326 O ARG A 77 14.497 -8.321 -4.932 1.00 0.73 O ATOM 327 CB ARG A 77 17.107 -6.913 -3.601 1.00 0.85 C ATOM 328 CG ARG A 77 18.572 -6.444 -3.611 1.00 1.19 C ATOM 329 CD ARG A 77 18.878 -5.652 -2.332 1.00 1.52 C ATOM 330 NE ARG A 77 19.194 -6.604 -1.231 1.00 2.13 N ATOM 331 CZ ARG A 77 19.775 -6.183 -0.139 1.00 2.66 C ATOM 332 NH1 ARG A 77 20.118 -4.929 -0.017 1.00 2.73 N ATOM 333 NH2 ARG A 77 20.025 -7.023 0.826 1.00 3.61 N ATOM 0 H ARG A 77 16.334 -6.009 -5.822 1.00 0.74 H new ATOM 0 HA ARG A 77 17.703 -8.471 -4.970 1.00 0.79 H new ATOM 0 HB2 ARG A 77 16.440 -6.051 -3.629 1.00 0.85 H new ATOM 0 HB3 ARG A 77 16.894 -7.450 -2.677 1.00 0.85 H new ATOM 0 HG2 ARG A 77 19.237 -7.304 -3.684 1.00 1.19 H new ATOM 0 HG3 ARG A 77 18.758 -5.822 -4.487 1.00 1.19 H new ATOM 0 HD2 ARG A 77 19.719 -4.979 -2.499 1.00 1.52 H new ATOM 0 HD3 ARG A 77 18.023 -5.033 -2.060 1.00 1.52 H new ATOM 0 HE ARG A 77 18.955 -7.591 -1.330 1.00 2.13 H new ATOM 0 HH11 ARG A 77 19.933 -4.273 -0.776 1.00 2.73 H new ATOM 0 HH12 ARG A 77 20.571 -4.605 0.837 1.00 2.73 H new ATOM 0 HH21 ARG A 77 19.767 -8.005 0.727 1.00 3.61 H new ATOM 0 HH22 ARG A 77 20.478 -6.698 1.680 1.00 3.61 H new ATOM 347 N PRO A 78 15.746 -9.836 -3.930 1.00 0.79 N ATOM 348 CA PRO A 78 14.597 -10.757 -3.636 1.00 0.76 C ATOM 349 C PRO A 78 13.615 -10.169 -2.609 1.00 0.67 C ATOM 350 O PRO A 78 13.992 -9.814 -1.511 1.00 0.69 O ATOM 351 CB PRO A 78 15.282 -12.021 -3.082 1.00 0.86 C ATOM 352 CG PRO A 78 16.581 -11.537 -2.526 1.00 1.18 C ATOM 353 CD PRO A 78 17.021 -10.389 -3.434 1.00 1.06 C ATOM 0 HA PRO A 78 13.989 -10.944 -4.521 1.00 0.76 H new ATOM 0 HB2 PRO A 78 14.674 -12.495 -2.312 1.00 0.86 H new ATOM 0 HB3 PRO A 78 15.439 -12.762 -3.866 1.00 0.86 H new ATOM 0 HG2 PRO A 78 16.464 -11.198 -1.497 1.00 1.18 H new ATOM 0 HG3 PRO A 78 17.324 -12.335 -2.517 1.00 1.18 H new ATOM 0 HD2 PRO A 78 17.597 -9.642 -2.887 1.00 1.06 H new ATOM 0 HD3 PRO A 78 17.651 -10.742 -4.251 1.00 1.06 H new ATOM 361 N MET A 79 12.355 -10.077 -2.958 1.00 0.65 N ATOM 362 CA MET A 79 11.352 -9.519 -1.998 1.00 0.61 C ATOM 363 C MET A 79 11.252 -10.455 -0.786 1.00 0.51 C ATOM 364 O MET A 79 10.679 -11.522 -0.862 1.00 0.56 O ATOM 365 CB MET A 79 9.978 -9.405 -2.691 1.00 0.66 C ATOM 366 CG MET A 79 9.146 -8.276 -2.059 1.00 0.74 C ATOM 367 SD MET A 79 9.322 -8.294 -0.254 1.00 1.25 S ATOM 368 CE MET A 79 9.180 -6.508 0.010 1.00 0.83 C ATOM 0 H MET A 79 11.979 -10.363 -3.862 1.00 0.65 H new ATOM 0 HA MET A 79 11.663 -8.527 -1.670 1.00 0.61 H new ATOM 0 HB2 MET A 79 10.116 -9.211 -3.755 1.00 0.66 H new ATOM 0 HB3 MET A 79 9.442 -10.350 -2.606 1.00 0.66 H new ATOM 0 HG2 MET A 79 9.470 -7.313 -2.453 1.00 0.74 H new ATOM 0 HG3 MET A 79 8.097 -8.394 -2.329 1.00 0.74 H new ATOM 0 HE1 MET A 79 8.907 -6.314 1.047 1.00 0.83 H new ATOM 0 HE2 MET A 79 10.135 -6.031 -0.210 1.00 0.83 H new ATOM 0 HE3 MET A 79 8.412 -6.103 -0.649 1.00 0.83 H new ATOM 378 N THR A 80 11.822 -10.061 0.325 1.00 0.56 N ATOM 379 CA THR A 80 11.785 -10.925 1.545 1.00 0.60 C ATOM 380 C THR A 80 10.542 -10.645 2.376 1.00 0.56 C ATOM 381 O THR A 80 10.187 -9.513 2.627 1.00 0.50 O ATOM 382 CB THR A 80 13.036 -10.663 2.391 1.00 0.77 C ATOM 383 OG1 THR A 80 12.949 -9.377 2.983 1.00 0.94 O ATOM 384 CG2 THR A 80 14.275 -10.734 1.499 1.00 0.73 C ATOM 0 H THR A 80 12.313 -9.175 0.440 1.00 0.56 H new ATOM 0 HA THR A 80 11.758 -11.968 1.229 1.00 0.60 H new ATOM 0 HB THR A 80 13.109 -11.416 3.176 1.00 0.77 H new ATOM 0 HG1 THR A 80 13.749 -9.212 3.525 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.166 -10.548 2.099 1.00 0.73 H new ATOM 0 HG22 THR A 80 14.342 -11.724 1.047 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.202 -9.981 0.714 1.00 0.73 H new ATOM 392 N TYR A 81 9.890 -11.680 2.850 1.00 0.61 N ATOM 393 CA TYR A 81 8.696 -11.466 3.713 1.00 0.60 C ATOM 394 C TYR A 81 9.151 -10.497 4.800 1.00 0.51 C ATOM 395 O TYR A 81 8.472 -9.556 5.161 1.00 0.45 O ATOM 396 CB TYR A 81 8.249 -12.837 4.293 1.00 0.69 C ATOM 397 CG TYR A 81 8.191 -12.827 5.810 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.094 -12.256 6.467 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.233 -13.395 6.555 1.00 0.71 C ATOM 400 CE1 TYR A 81 7.039 -12.255 7.866 1.00 0.66 C ATOM 401 CE2 TYR A 81 9.177 -13.393 7.953 1.00 0.77 C ATOM 402 CZ TYR A 81 8.081 -12.823 8.609 1.00 0.73 C ATOM 403 OH TYR A 81 8.026 -12.822 9.988 1.00 0.90 O ATOM 0 H TYR A 81 10.134 -12.655 2.676 1.00 0.61 H new ATOM 0 HA TYR A 81 7.839 -11.054 3.180 1.00 0.60 H new ATOM 0 HB2 TYR A 81 7.267 -13.095 3.895 1.00 0.69 H new ATOM 0 HB3 TYR A 81 8.941 -13.612 3.963 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.291 -11.816 5.895 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.080 -13.835 6.050 1.00 0.71 H new ATOM 0 HE1 TYR A 81 6.192 -11.816 8.372 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.980 -13.832 8.526 1.00 0.77 H new ATOM 0 HH TYR A 81 8.828 -13.256 10.348 1.00 0.90 H new ATOM 413 N LYS A 82 10.339 -10.720 5.271 1.00 0.52 N ATOM 414 CA LYS A 82 10.931 -9.829 6.285 1.00 0.48 C ATOM 415 C LYS A 82 11.059 -8.425 5.689 1.00 0.40 C ATOM 416 O LYS A 82 10.891 -7.438 6.380 1.00 0.38 O ATOM 417 CB LYS A 82 12.312 -10.366 6.660 1.00 0.55 C ATOM 418 CG LYS A 82 12.890 -9.558 7.821 1.00 0.60 C ATOM 419 CD LYS A 82 14.121 -10.278 8.376 1.00 0.92 C ATOM 420 CE LYS A 82 14.662 -9.502 9.576 1.00 1.49 C ATOM 421 NZ LYS A 82 13.572 -9.322 10.574 1.00 2.32 N ATOM 0 H LYS A 82 10.933 -11.499 4.988 1.00 0.52 H new ATOM 0 HA LYS A 82 10.304 -9.788 7.176 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.239 -11.417 6.939 1.00 0.55 H new ATOM 0 HB3 LYS A 82 12.979 -10.310 5.800 1.00 0.55 H new ATOM 0 HG2 LYS A 82 13.161 -8.558 7.483 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.141 -9.438 8.604 1.00 0.60 H new ATOM 0 HD2 LYS A 82 13.859 -11.294 8.673 1.00 0.92 H new ATOM 0 HD3 LYS A 82 14.887 -10.359 7.605 1.00 0.92 H new ATOM 0 HE2 LYS A 82 15.497 -10.039 10.025 1.00 1.49 H new ATOM 0 HE3 LYS A 82 15.042 -8.532 9.256 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 13.986 -9.162 11.515 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 12.990 -8.502 10.308 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 12.978 -10.176 10.597 1.00 2.32 H new ATOM 435 N ALA A 83 11.356 -8.312 4.408 1.00 0.42 N ATOM 436 CA ALA A 83 11.485 -6.938 3.820 1.00 0.41 C ATOM 437 C ALA A 83 10.120 -6.247 3.850 1.00 0.35 C ATOM 438 O ALA A 83 10.024 -5.050 4.029 1.00 0.34 O ATOM 439 CB ALA A 83 11.998 -7.003 2.372 1.00 0.52 C ATOM 0 H ALA A 83 11.510 -9.088 3.764 1.00 0.42 H new ATOM 0 HA ALA A 83 12.204 -6.372 4.412 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.082 -5.993 1.970 1.00 0.52 H new ATOM 0 HB2 ALA A 83 12.976 -7.483 2.354 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.300 -7.578 1.764 1.00 0.52 H new ATOM 445 N ALA A 84 9.062 -6.991 3.678 1.00 0.34 N ATOM 446 CA ALA A 84 7.709 -6.368 3.701 1.00 0.31 C ATOM 447 C ALA A 84 7.476 -5.720 5.065 1.00 0.28 C ATOM 448 O ALA A 84 7.088 -4.572 5.158 1.00 0.28 O ATOM 449 CB ALA A 84 6.647 -7.439 3.460 1.00 0.34 C ATOM 0 H ALA A 84 9.076 -7.999 3.523 1.00 0.34 H new ATOM 0 HA ALA A 84 7.643 -5.612 2.919 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.658 -6.981 3.477 1.00 0.34 H new ATOM 0 HB2 ALA A 84 6.814 -7.905 2.489 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.710 -8.196 4.242 1.00 0.34 H new ATOM 455 N VAL A 85 7.708 -6.442 6.129 1.00 0.29 N ATOM 456 CA VAL A 85 7.497 -5.856 7.485 1.00 0.29 C ATOM 457 C VAL A 85 8.492 -4.718 7.710 1.00 0.29 C ATOM 458 O VAL A 85 8.128 -3.647 8.150 1.00 0.30 O ATOM 459 CB VAL A 85 7.692 -6.923 8.569 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.045 -6.451 9.876 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.037 -8.230 8.127 1.00 0.38 C ATOM 0 H VAL A 85 8.033 -7.409 6.118 1.00 0.29 H new ATOM 0 HA VAL A 85 6.478 -5.475 7.546 1.00 0.29 H new ATOM 0 HB VAL A 85 8.759 -7.084 8.726 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.184 -7.210 10.646 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.511 -5.519 10.197 1.00 0.37 H new ATOM 0 HG13 VAL A 85 5.979 -6.288 9.716 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.177 -8.986 8.899 1.00 0.38 H new ATOM 0 HG22 VAL A 85 5.971 -8.067 7.968 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.495 -8.570 7.198 1.00 0.38 H new ATOM 471 N ASP A 86 9.746 -4.931 7.412 1.00 0.30 N ATOM 472 CA ASP A 86 10.731 -3.839 7.617 1.00 0.32 C ATOM 473 C ASP A 86 10.298 -2.650 6.764 1.00 0.30 C ATOM 474 O ASP A 86 10.276 -1.522 7.215 1.00 0.31 O ATOM 475 CB ASP A 86 12.127 -4.304 7.187 1.00 0.36 C ATOM 476 CG ASP A 86 12.571 -5.473 8.070 1.00 0.42 C ATOM 477 OD1 ASP A 86 11.965 -5.667 9.112 1.00 1.05 O ATOM 478 OD2 ASP A 86 13.512 -6.150 7.691 1.00 1.23 O ATOM 0 H ASP A 86 10.124 -5.803 7.041 1.00 0.30 H new ATOM 0 HA ASP A 86 10.770 -3.559 8.670 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.114 -4.609 6.141 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.837 -3.481 7.270 1.00 0.36 H new ATOM 483 N LEU A 87 9.933 -2.900 5.539 1.00 0.29 N ATOM 484 CA LEU A 87 9.480 -1.791 4.659 1.00 0.30 C ATOM 485 C LEU A 87 8.217 -1.162 5.247 1.00 0.29 C ATOM 486 O LEU A 87 8.059 0.043 5.249 1.00 0.30 O ATOM 487 CB LEU A 87 9.168 -2.336 3.258 1.00 0.33 C ATOM 488 CG LEU A 87 8.931 -1.168 2.276 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.269 -0.630 1.754 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.092 -1.654 1.088 1.00 0.44 C ATOM 0 H LEU A 87 9.929 -3.825 5.110 1.00 0.29 H new ATOM 0 HA LEU A 87 10.268 -1.041 4.589 1.00 0.30 H new ATOM 0 HB2 LEU A 87 9.994 -2.954 2.907 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.286 -2.975 3.296 1.00 0.33 H new ATOM 0 HG LEU A 87 8.404 -0.373 2.803 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.086 0.193 1.063 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.869 -0.274 2.591 1.00 0.52 H new ATOM 0 HD13 LEU A 87 10.804 -1.426 1.236 1.00 0.52 H new ATOM 0 HD21 LEU A 87 7.927 -0.827 0.397 1.00 0.44 H new ATOM 0 HD22 LEU A 87 8.620 -2.457 0.574 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.132 -2.024 1.448 1.00 0.44 H new ATOM 502 N SER A 88 7.308 -1.964 5.738 1.00 0.30 N ATOM 503 CA SER A 88 6.060 -1.395 6.309 1.00 0.34 C ATOM 504 C SER A 88 6.417 -0.321 7.344 1.00 0.33 C ATOM 505 O SER A 88 5.925 0.789 7.293 1.00 0.36 O ATOM 506 CB SER A 88 5.241 -2.511 6.965 1.00 0.40 C ATOM 507 OG SER A 88 5.807 -2.836 8.228 1.00 0.44 O ATOM 0 H SER A 88 7.378 -2.981 5.767 1.00 0.30 H new ATOM 0 HA SER A 88 5.466 -0.941 5.516 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.206 -2.192 7.090 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.228 -3.392 6.323 1.00 0.40 H new ATOM 0 HG SER A 88 5.132 -3.277 8.785 1.00 0.44 H new ATOM 513 N HIS A 89 7.276 -0.636 8.275 1.00 0.34 N ATOM 514 CA HIS A 89 7.663 0.378 9.300 1.00 0.36 C ATOM 515 C HIS A 89 8.573 1.431 8.668 1.00 0.36 C ATOM 516 O HIS A 89 8.556 2.583 9.048 1.00 0.41 O ATOM 517 CB HIS A 89 8.421 -0.300 10.447 1.00 0.41 C ATOM 518 CG HIS A 89 7.483 -1.144 11.265 1.00 0.52 C ATOM 519 ND1 HIS A 89 7.007 -0.735 12.502 1.00 1.43 N ATOM 520 CD2 HIS A 89 6.945 -2.387 11.050 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.220 -1.718 12.979 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.149 -2.748 12.132 1.00 0.82 N ATOM 0 H HIS A 89 7.725 -1.547 8.371 1.00 0.34 H new ATOM 0 HA HIS A 89 6.758 0.849 9.683 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.223 -0.920 10.046 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.888 0.455 11.080 1.00 0.41 H new ATOM 0 HD2 HIS A 89 7.114 -2.994 10.173 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.709 -1.678 13.930 1.00 1.27 H new ATOM 0 HE2 HIS A 89 5.624 -3.614 12.253 1.00 0.82 H new ATOM 530 N PHE A 90 9.375 1.047 7.714 1.00 0.34 N ATOM 531 CA PHE A 90 10.287 2.033 7.077 1.00 0.37 C ATOM 532 C PHE A 90 9.458 3.200 6.530 1.00 0.40 C ATOM 533 O PHE A 90 9.726 4.351 6.811 1.00 0.47 O ATOM 534 CB PHE A 90 11.054 1.347 5.937 1.00 0.38 C ATOM 535 CG PHE A 90 12.320 2.113 5.617 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.515 1.799 6.276 1.00 0.57 C ATOM 537 CD2 PHE A 90 12.299 3.130 4.654 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.687 2.502 5.974 1.00 0.69 C ATOM 539 CE2 PHE A 90 13.472 3.834 4.352 1.00 0.70 C ATOM 540 CZ PHE A 90 14.667 3.519 5.012 1.00 0.72 C ATOM 0 H PHE A 90 9.437 0.096 7.350 1.00 0.34 H new ATOM 0 HA PHE A 90 11.001 2.413 7.808 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.302 0.324 6.221 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.423 1.288 5.050 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.532 1.014 7.018 1.00 0.57 H new ATOM 0 HD2 PHE A 90 11.378 3.372 4.144 1.00 0.59 H new ATOM 0 HE1 PHE A 90 15.608 2.260 6.484 1.00 0.69 H new ATOM 0 HE2 PHE A 90 13.455 4.619 3.611 1.00 0.70 H new ATOM 0 HZ PHE A 90 15.572 4.060 4.779 1.00 0.72 H new ATOM 550 N LEU A 91 8.449 2.916 5.756 1.00 0.37 N ATOM 551 CA LEU A 91 7.606 4.011 5.200 1.00 0.42 C ATOM 552 C LEU A 91 6.933 4.779 6.346 1.00 0.47 C ATOM 553 O LEU A 91 6.661 5.957 6.236 1.00 0.57 O ATOM 554 CB LEU A 91 6.531 3.406 4.282 1.00 0.41 C ATOM 555 CG LEU A 91 7.149 3.032 2.914 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.357 1.882 2.279 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.116 4.245 1.972 1.00 0.54 C ATOM 0 H LEU A 91 8.171 1.973 5.484 1.00 0.37 H new ATOM 0 HA LEU A 91 8.231 4.698 4.629 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.099 2.521 4.749 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.719 4.120 4.140 1.00 0.41 H new ATOM 0 HG LEU A 91 8.182 2.722 3.071 1.00 0.41 H new ATOM 0 HD11 LEU A 91 6.798 1.624 1.316 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.387 1.013 2.936 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.322 2.190 2.133 1.00 0.42 H new ATOM 0 HD21 LEU A 91 7.553 3.972 1.012 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.084 4.563 1.824 1.00 0.54 H new ATOM 0 HD23 LEU A 91 7.688 5.063 2.411 1.00 0.54 H new ATOM 569 N LYS A 92 6.648 4.119 7.438 1.00 0.45 N ATOM 570 CA LYS A 92 5.979 4.816 8.576 1.00 0.53 C ATOM 571 C LYS A 92 6.906 5.874 9.184 1.00 0.63 C ATOM 572 O LYS A 92 6.461 6.770 9.874 1.00 0.85 O ATOM 573 CB LYS A 92 5.613 3.785 9.643 1.00 0.54 C ATOM 574 CG LYS A 92 4.739 4.433 10.719 1.00 0.73 C ATOM 575 CD LYS A 92 4.295 3.355 11.706 1.00 1.20 C ATOM 576 CE LYS A 92 3.263 3.924 12.679 1.00 1.61 C ATOM 577 NZ LYS A 92 2.740 2.820 13.532 1.00 2.27 N ATOM 0 H LYS A 92 6.849 3.131 7.591 1.00 0.45 H new ATOM 0 HA LYS A 92 5.081 5.314 8.209 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.082 2.950 9.186 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.519 3.379 10.094 1.00 0.54 H new ATOM 0 HG2 LYS A 92 5.295 5.214 11.238 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.871 4.909 10.264 1.00 0.73 H new ATOM 0 HD2 LYS A 92 3.869 2.510 11.165 1.00 1.20 H new ATOM 0 HD3 LYS A 92 5.157 2.979 12.257 1.00 1.20 H new ATOM 0 HE2 LYS A 92 3.717 4.697 13.300 1.00 1.61 H new ATOM 0 HE3 LYS A 92 2.447 4.394 12.130 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 1.882 3.139 14.025 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 2.512 1.999 12.936 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 3.461 2.550 14.231 1.00 2.27 H new ATOM 591 N GLU A 93 8.188 5.781 8.948 1.00 0.62 N ATOM 592 CA GLU A 93 9.118 6.786 9.532 1.00 0.76 C ATOM 593 C GLU A 93 8.905 8.140 8.851 1.00 0.77 C ATOM 594 O GLU A 93 8.292 9.035 9.397 1.00 1.05 O ATOM 595 CB GLU A 93 10.576 6.332 9.320 1.00 0.94 C ATOM 596 CG GLU A 93 11.007 5.395 10.452 1.00 1.22 C ATOM 597 CD GLU A 93 10.142 4.136 10.437 1.00 2.00 C ATOM 598 OE1 GLU A 93 8.954 4.253 10.685 1.00 2.73 O ATOM 599 OE2 GLU A 93 10.682 3.072 10.180 1.00 2.54 O ATOM 0 H GLU A 93 8.627 5.057 8.380 1.00 0.62 H new ATOM 0 HA GLU A 93 8.919 6.879 10.600 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.670 5.823 8.361 1.00 0.94 H new ATOM 0 HB3 GLU A 93 11.234 7.200 9.286 1.00 0.94 H new ATOM 0 HG2 GLU A 93 12.057 5.128 10.335 1.00 1.22 H new ATOM 0 HG3 GLU A 93 10.912 5.902 11.412 1.00 1.22 H new ATOM 606 N LYS A 94 9.425 8.293 7.667 1.00 0.80 N ATOM 607 CA LYS A 94 9.282 9.585 6.949 1.00 1.02 C ATOM 608 C LYS A 94 7.887 9.694 6.333 1.00 0.96 C ATOM 609 O LYS A 94 6.986 10.274 6.905 1.00 1.41 O ATOM 610 CB LYS A 94 10.354 9.672 5.846 1.00 1.39 C ATOM 611 CG LYS A 94 10.512 8.302 5.118 1.00 1.63 C ATOM 612 CD LYS A 94 10.549 8.513 3.596 1.00 2.18 C ATOM 613 CE LYS A 94 10.696 7.165 2.882 1.00 2.61 C ATOM 614 NZ LYS A 94 11.926 6.471 3.360 1.00 2.96 N ATOM 0 H LYS A 94 9.945 7.574 7.164 1.00 0.80 H new ATOM 0 HA LYS A 94 9.415 10.407 7.653 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.079 10.442 5.125 1.00 1.39 H new ATOM 0 HB3 LYS A 94 11.308 9.969 6.282 1.00 1.39 H new ATOM 0 HG2 LYS A 94 11.427 7.810 5.447 1.00 1.63 H new ATOM 0 HG3 LYS A 94 9.684 7.644 5.382 1.00 1.63 H new ATOM 0 HD2 LYS A 94 9.636 9.010 3.267 1.00 2.18 H new ATOM 0 HD3 LYS A 94 11.380 9.166 3.331 1.00 2.18 H new ATOM 0 HE2 LYS A 94 9.820 6.545 3.073 1.00 2.61 H new ATOM 0 HE3 LYS A 94 10.750 7.318 1.804 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 12.381 5.983 2.562 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 12.585 7.169 3.761 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 11.671 5.776 4.091 1.00 2.96 H new ATOM 628 N GLY A 95 7.712 9.153 5.165 1.00 1.12 N ATOM 629 CA GLY A 95 6.387 9.234 4.490 1.00 1.51 C ATOM 630 C GLY A 95 5.275 8.763 5.432 1.00 1.10 C ATOM 631 O GLY A 95 5.521 8.073 6.402 1.00 1.71 O ATOM 0 H GLY A 95 8.433 8.654 4.643 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.195 10.260 4.175 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.393 8.620 3.589 1.00 1.51 H new ATOM 635 N GLY A 96 4.047 9.130 5.141 1.00 1.17 N ATOM 636 CA GLY A 96 2.890 8.713 5.998 1.00 0.99 C ATOM 637 C GLY A 96 1.837 8.027 5.116 1.00 0.81 C ATOM 638 O GLY A 96 0.912 8.658 4.642 1.00 0.83 O ATOM 0 H GLY A 96 3.796 9.706 4.338 1.00 1.17 H new ATOM 0 HA2 GLY A 96 3.227 8.033 6.780 1.00 0.99 H new ATOM 0 HA3 GLY A 96 2.457 9.581 6.495 1.00 0.99 H new ATOM 642 N LEU A 97 1.965 6.745 4.885 1.00 0.67 N ATOM 643 CA LEU A 97 0.968 6.039 4.029 1.00 0.55 C ATOM 644 C LEU A 97 -0.272 5.701 4.866 1.00 0.46 C ATOM 645 O LEU A 97 -1.370 5.589 4.353 1.00 0.49 O ATOM 646 CB LEU A 97 1.598 4.750 3.481 1.00 0.54 C ATOM 647 CG LEU A 97 0.647 4.068 2.481 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.538 4.899 1.190 1.00 0.65 C ATOM 649 CD2 LEU A 97 1.186 2.668 2.149 1.00 0.66 C ATOM 0 H LEU A 97 2.715 6.159 5.252 1.00 0.67 H new ATOM 0 HA LEU A 97 0.673 6.679 3.197 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.545 4.980 2.992 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.821 4.069 4.303 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.344 3.989 2.928 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.138 4.403 0.494 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.151 5.890 1.427 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.523 4.993 0.734 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.517 2.179 1.441 1.00 0.66 H new ATOM 0 HD22 LEU A 97 2.179 2.756 1.709 1.00 0.66 H new ATOM 0 HD23 LEU A 97 1.245 2.075 3.062 1.00 0.66 H new ATOM 661 N GLU A 98 -0.104 5.535 6.148 1.00 0.44 N ATOM 662 CA GLU A 98 -1.265 5.201 7.024 1.00 0.40 C ATOM 663 C GLU A 98 -2.398 6.202 6.820 1.00 0.40 C ATOM 664 O GLU A 98 -2.185 7.350 6.481 1.00 0.58 O ATOM 665 CB GLU A 98 -0.823 5.237 8.489 1.00 0.49 C ATOM 666 CG GLU A 98 -1.998 4.860 9.409 1.00 0.48 C ATOM 667 CD GLU A 98 -2.858 6.095 9.703 1.00 1.26 C ATOM 668 OE1 GLU A 98 -2.302 7.096 10.124 1.00 1.94 O ATOM 669 OE2 GLU A 98 -4.059 6.013 9.511 1.00 2.03 O ATOM 0 H GLU A 98 0.791 5.616 6.630 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.622 4.205 6.763 1.00 0.40 H new ATOM 0 HB2 GLU A 98 0.005 4.546 8.643 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.459 6.233 8.742 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.606 4.088 8.937 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -1.619 4.441 10.341 1.00 0.48 H new ATOM 676 N GLY A 99 -3.602 5.764 7.053 1.00 0.39 N ATOM 677 CA GLY A 99 -4.791 6.655 6.911 1.00 0.42 C ATOM 678 C GLY A 99 -4.740 7.449 5.601 1.00 0.42 C ATOM 679 O GLY A 99 -5.551 8.326 5.374 1.00 0.46 O ATOM 0 H GLY A 99 -3.818 4.810 7.341 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.702 6.057 6.941 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.834 7.344 7.755 1.00 0.42 H new ATOM 683 N LEU A 100 -3.811 7.161 4.733 1.00 0.41 N ATOM 684 CA LEU A 100 -3.751 7.916 3.449 1.00 0.43 C ATOM 685 C LEU A 100 -4.823 7.369 2.505 1.00 0.42 C ATOM 686 O LEU A 100 -4.715 6.264 2.010 1.00 0.44 O ATOM 687 CB LEU A 100 -2.367 7.750 2.805 1.00 0.45 C ATOM 688 CG LEU A 100 -2.155 8.833 1.722 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.580 10.106 2.354 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.178 8.316 0.656 1.00 1.17 C ATOM 0 H LEU A 100 -3.097 6.443 4.854 1.00 0.41 H new ATOM 0 HA LEU A 100 -3.926 8.975 3.640 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.591 7.828 3.566 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.280 6.758 2.361 1.00 0.45 H new ATOM 0 HG LEU A 100 -3.117 9.060 1.262 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.435 10.862 1.582 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.273 10.484 3.106 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -0.623 9.879 2.824 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -1.031 9.082 -0.105 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.222 8.080 1.123 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.587 7.418 0.193 1.00 1.17 H new ATOM 702 N ILE A 101 -5.861 8.119 2.254 1.00 0.44 N ATOM 703 CA ILE A 101 -6.924 7.611 1.347 1.00 0.45 C ATOM 704 C ILE A 101 -6.336 7.315 -0.035 1.00 0.46 C ATOM 705 O ILE A 101 -6.003 8.203 -0.791 1.00 0.49 O ATOM 706 CB ILE A 101 -8.086 8.621 1.268 1.00 0.50 C ATOM 707 CG1 ILE A 101 -9.006 8.451 2.505 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.895 8.411 -0.019 1.00 0.54 C ATOM 709 CD1 ILE A 101 -10.000 7.279 2.318 1.00 0.52 C ATOM 0 H ILE A 101 -6.017 9.052 2.634 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.325 6.679 1.746 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.675 9.631 1.257 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.396 8.274 3.391 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.559 9.374 2.678 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.711 9.133 -0.058 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.246 8.550 -0.884 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.303 7.401 -0.031 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.628 7.190 3.204 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.627 7.469 1.447 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.446 6.352 2.171 1.00 0.52 H new ATOM 721 N HIS A 102 -6.222 6.053 -0.356 1.00 0.47 N ATOM 722 CA HIS A 102 -5.675 5.650 -1.679 1.00 0.51 C ATOM 723 C HIS A 102 -6.666 6.040 -2.778 1.00 0.58 C ATOM 724 O HIS A 102 -7.684 5.397 -2.975 1.00 0.64 O ATOM 725 CB HIS A 102 -5.451 4.135 -1.691 1.00 0.57 C ATOM 726 CG HIS A 102 -4.979 3.701 -3.049 1.00 0.64 C ATOM 727 ND1 HIS A 102 -4.560 4.606 -4.009 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.849 2.459 -3.621 1.00 0.64 C ATOM 729 CE1 HIS A 102 -4.200 3.904 -5.097 1.00 1.36 C ATOM 730 NE2 HIS A 102 -4.356 2.591 -4.915 1.00 0.70 N ATOM 0 H HIS A 102 -6.488 5.278 0.251 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.726 6.156 -1.858 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.715 3.861 -0.935 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.377 3.619 -1.436 1.00 0.57 H new ATOM 0 HD2 HIS A 102 -5.092 1.523 -3.140 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -3.829 4.349 -6.009 1.00 1.36 H new ATOM 0 HE2 HIS A 102 -4.157 1.845 -5.581 1.00 0.70 H new ATOM 738 N SER A 103 -6.377 7.098 -3.485 1.00 0.60 N ATOM 739 CA SER A 103 -7.287 7.556 -4.571 1.00 0.69 C ATOM 740 C SER A 103 -7.265 6.557 -5.731 1.00 0.76 C ATOM 741 O SER A 103 -8.216 5.838 -5.960 1.00 0.85 O ATOM 742 CB SER A 103 -6.826 8.927 -5.067 1.00 0.74 C ATOM 743 OG SER A 103 -7.352 9.161 -6.366 1.00 1.49 O ATOM 0 H SER A 103 -5.542 7.669 -3.355 1.00 0.60 H new ATOM 0 HA SER A 103 -8.304 7.626 -4.184 1.00 0.69 H new ATOM 0 HB2 SER A 103 -7.161 9.705 -4.381 1.00 0.74 H new ATOM 0 HB3 SER A 103 -5.737 8.970 -5.091 1.00 0.74 H new ATOM 0 HG SER A 103 -7.059 10.040 -6.684 1.00 1.49 H new ATOM 749 N GLN A 104 -6.187 6.513 -6.471 1.00 0.81 N ATOM 750 CA GLN A 104 -6.117 5.563 -7.621 1.00 0.92 C ATOM 751 C GLN A 104 -4.681 5.477 -8.145 1.00 0.93 C ATOM 752 O GLN A 104 -4.145 4.404 -8.335 1.00 1.37 O ATOM 753 CB GLN A 104 -7.035 6.060 -8.738 1.00 1.06 C ATOM 754 CG GLN A 104 -7.255 4.944 -9.761 1.00 1.76 C ATOM 755 CD GLN A 104 -7.963 5.517 -10.990 1.00 2.14 C ATOM 756 OE1 GLN A 104 -8.546 6.580 -10.926 1.00 2.64 O ATOM 757 NE2 GLN A 104 -7.939 4.851 -12.112 1.00 2.70 N ATOM 0 H GLN A 104 -5.358 7.090 -6.330 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.435 4.574 -7.290 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.991 6.378 -8.322 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -6.594 6.930 -9.224 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -6.300 4.505 -10.049 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -7.853 4.145 -9.322 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -7.449 3.958 -12.165 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -8.410 5.223 -12.936 1.00 2.70 H new ATOM 766 N ARG A 105 -4.056 6.596 -8.385 1.00 0.83 N ATOM 767 CA ARG A 105 -2.656 6.582 -8.902 1.00 0.87 C ATOM 768 C ARG A 105 -1.661 6.531 -7.734 1.00 0.74 C ATOM 769 O ARG A 105 -0.478 6.319 -7.923 1.00 0.70 O ATOM 770 CB ARG A 105 -2.413 7.853 -9.724 1.00 1.06 C ATOM 771 CG ARG A 105 -3.652 8.160 -10.567 1.00 1.71 C ATOM 772 CD ARG A 105 -3.298 9.190 -11.640 1.00 1.99 C ATOM 773 NE ARG A 105 -2.633 10.363 -11.004 1.00 2.86 N ATOM 774 CZ ARG A 105 -1.992 11.227 -11.742 1.00 3.60 C ATOM 775 NH1 ARG A 105 -1.955 11.075 -13.039 1.00 3.73 N ATOM 776 NH2 ARG A 105 -1.393 12.244 -11.185 1.00 4.61 N ATOM 0 H ARG A 105 -4.455 7.524 -8.245 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.512 5.701 -9.527 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -2.194 8.691 -9.062 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -1.545 7.721 -10.369 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -4.023 7.247 -11.033 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -4.451 8.541 -9.932 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -2.638 8.744 -12.384 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -4.199 9.509 -12.164 1.00 1.99 H new ATOM 0 HE ARG A 105 -2.679 10.490 -9.993 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -2.427 10.282 -13.473 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -1.454 11.750 -13.617 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -1.426 12.363 -10.173 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -0.892 12.919 -11.762 1.00 4.61 H new ATOM 790 N ARG A 106 -2.124 6.743 -6.533 1.00 0.71 N ATOM 791 CA ARG A 106 -1.202 6.731 -5.357 1.00 0.65 C ATOM 792 C ARG A 106 -0.444 5.396 -5.274 1.00 0.54 C ATOM 793 O ARG A 106 0.747 5.366 -5.032 1.00 0.50 O ATOM 794 CB ARG A 106 -2.006 6.945 -4.067 1.00 0.70 C ATOM 795 CG ARG A 106 -3.090 8.006 -4.298 1.00 1.01 C ATOM 796 CD ARG A 106 -2.448 9.282 -4.852 1.00 1.24 C ATOM 797 NE ARG A 106 -1.218 9.592 -4.069 1.00 1.86 N ATOM 798 CZ ARG A 106 -0.336 10.437 -4.530 1.00 2.48 C ATOM 799 NH1 ARG A 106 -0.524 11.016 -5.686 1.00 2.86 N ATOM 800 NH2 ARG A 106 0.737 10.699 -3.835 1.00 3.29 N ATOM 0 H ARG A 106 -3.103 6.925 -6.313 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.478 7.537 -5.477 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.464 6.007 -3.754 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.342 7.260 -3.262 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -3.838 7.630 -4.996 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -3.607 8.223 -3.363 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -2.200 9.151 -5.905 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -3.151 10.113 -4.792 1.00 1.24 H new ATOM 0 HE ARG A 106 -1.064 9.141 -3.167 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -1.361 10.808 -6.230 1.00 2.86 H new ATOM 0 HH12 ARG A 106 0.166 11.676 -6.044 1.00 2.86 H new ATOM 0 HH21 ARG A 106 0.885 10.244 -2.934 1.00 3.29 H new ATOM 0 HH22 ARG A 106 1.428 11.359 -4.193 1.00 3.29 H new ATOM 814 N GLN A 107 -1.118 4.291 -5.461 1.00 0.55 N ATOM 815 CA GLN A 107 -0.424 2.969 -5.375 1.00 0.52 C ATOM 816 C GLN A 107 0.676 2.898 -6.439 1.00 0.49 C ATOM 817 O GLN A 107 1.771 2.444 -6.180 1.00 0.44 O ATOM 818 CB GLN A 107 -1.444 1.833 -5.590 1.00 0.63 C ATOM 819 CG GLN A 107 -0.721 0.507 -5.892 1.00 1.11 C ATOM 820 CD GLN A 107 -1.714 -0.654 -5.826 1.00 1.53 C ATOM 821 OE1 GLN A 107 -2.610 -0.678 -4.878 1.00 2.13 O flip ATOM 822 NE2 GLN A 107 -1.675 -1.553 -6.643 1.00 2.12 N flip ATOM 0 H GLN A 107 -2.116 4.245 -5.669 1.00 0.55 H new ATOM 0 HA GLN A 107 0.027 2.858 -4.389 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.065 1.721 -4.701 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.111 2.086 -6.414 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.263 0.549 -6.880 1.00 1.11 H new ATOM 0 HG3 GLN A 107 0.084 0.350 -5.174 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -0.976 -1.537 -7.385 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -2.341 -2.323 -6.586 1.00 2.12 H new ATOM 831 N ASP A 108 0.393 3.331 -7.636 1.00 0.56 N ATOM 832 CA ASP A 108 1.427 3.269 -8.705 1.00 0.59 C ATOM 833 C ASP A 108 2.691 3.995 -8.236 1.00 0.54 C ATOM 834 O ASP A 108 3.796 3.533 -8.447 1.00 0.54 O ATOM 835 CB ASP A 108 0.891 3.928 -9.976 1.00 0.72 C ATOM 836 CG ASP A 108 -0.395 3.221 -10.407 1.00 0.81 C ATOM 837 OD1 ASP A 108 -0.335 2.031 -10.665 1.00 1.42 O ATOM 838 OD2 ASP A 108 -1.417 3.881 -10.471 1.00 1.33 O ATOM 0 H ASP A 108 -0.505 3.723 -7.919 1.00 0.56 H new ATOM 0 HA ASP A 108 1.669 2.228 -8.917 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.696 4.985 -9.797 1.00 0.72 H new ATOM 0 HB3 ASP A 108 1.635 3.871 -10.771 1.00 0.72 H new ATOM 843 N ILE A 109 2.543 5.122 -7.596 1.00 0.55 N ATOM 844 CA ILE A 109 3.741 5.863 -7.113 1.00 0.54 C ATOM 845 C ILE A 109 4.476 5.007 -6.074 1.00 0.47 C ATOM 846 O ILE A 109 5.685 4.885 -6.100 1.00 0.53 O ATOM 847 CB ILE A 109 3.299 7.193 -6.490 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.689 8.081 -7.581 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.504 7.907 -5.868 1.00 0.63 C ATOM 850 CD1 ILE A 109 2.047 9.317 -6.946 1.00 1.47 C ATOM 0 H ILE A 109 1.646 5.561 -7.387 1.00 0.55 H new ATOM 0 HA ILE A 109 4.414 6.070 -7.945 1.00 0.54 H new ATOM 0 HB ILE A 109 2.560 6.999 -5.713 1.00 0.59 H new ATOM 0 HG12 ILE A 109 3.460 8.384 -8.289 1.00 0.70 H new ATOM 0 HG13 ILE A 109 1.942 7.521 -8.143 1.00 0.70 H new ATOM 0 HG21 ILE A 109 4.181 8.850 -5.428 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.941 7.276 -5.094 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.249 8.103 -6.639 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.615 9.944 -7.726 1.00 1.47 H new ATOM 0 HD12 ILE A 109 1.263 9.006 -6.255 1.00 1.47 H new ATOM 0 HD13 ILE A 109 2.805 9.883 -6.404 1.00 1.47 H new ATOM 862 N LEU A 110 3.754 4.410 -5.163 1.00 0.43 N ATOM 863 CA LEU A 110 4.410 3.558 -4.128 1.00 0.39 C ATOM 864 C LEU A 110 5.353 2.564 -4.812 1.00 0.38 C ATOM 865 O LEU A 110 6.559 2.672 -4.718 1.00 0.38 O ATOM 866 CB LEU A 110 3.332 2.792 -3.348 1.00 0.42 C ATOM 867 CG LEU A 110 3.974 1.825 -2.341 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.873 2.596 -1.364 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.867 1.111 -1.558 1.00 0.66 C ATOM 0 H LEU A 110 2.739 4.475 -5.091 1.00 0.43 H new ATOM 0 HA LEU A 110 4.981 4.184 -3.442 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.687 3.496 -2.823 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.700 2.237 -4.041 1.00 0.42 H new ATOM 0 HG LEU A 110 4.581 1.097 -2.879 1.00 0.44 H new ATOM 0 HD11 LEU A 110 5.322 1.900 -0.656 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.660 3.107 -1.919 1.00 0.56 H new ATOM 0 HD13 LEU A 110 4.276 3.330 -0.822 1.00 0.56 H new ATOM 0 HD21 LEU A 110 3.314 0.423 -0.841 1.00 0.66 H new ATOM 0 HD22 LEU A 110 2.264 1.847 -1.027 1.00 0.66 H new ATOM 0 HD23 LEU A 110 2.234 0.554 -2.249 1.00 0.66 H new ATOM 881 N ASP A 111 4.807 1.596 -5.494 1.00 0.40 N ATOM 882 CA ASP A 111 5.659 0.585 -6.183 1.00 0.42 C ATOM 883 C ASP A 111 6.793 1.284 -6.929 1.00 0.43 C ATOM 884 O ASP A 111 7.905 0.797 -6.986 1.00 0.42 O ATOM 885 CB ASP A 111 4.808 -0.195 -7.185 1.00 0.50 C ATOM 886 CG ASP A 111 3.814 -1.081 -6.434 1.00 0.59 C ATOM 887 OD1 ASP A 111 4.219 -2.136 -5.977 1.00 1.19 O ATOM 888 OD2 ASP A 111 2.665 -0.687 -6.327 1.00 1.30 O ATOM 0 H ASP A 111 3.802 1.461 -5.605 1.00 0.40 H new ATOM 0 HA ASP A 111 6.078 -0.095 -5.442 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.274 0.495 -7.838 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.447 -0.807 -7.822 1.00 0.50 H new ATOM 893 N LEU A 112 6.524 2.420 -7.499 1.00 0.48 N ATOM 894 CA LEU A 112 7.589 3.148 -8.239 1.00 0.52 C ATOM 895 C LEU A 112 8.671 3.571 -7.253 1.00 0.48 C ATOM 896 O LEU A 112 9.819 3.195 -7.376 1.00 0.47 O ATOM 897 CB LEU A 112 6.976 4.381 -8.918 1.00 0.60 C ATOM 898 CG LEU A 112 7.853 4.842 -10.090 1.00 0.70 C ATOM 899 CD1 LEU A 112 7.119 5.938 -10.869 1.00 1.45 C ATOM 900 CD2 LEU A 112 9.189 5.392 -9.567 1.00 1.26 C ATOM 0 H LEU A 112 5.613 2.878 -7.486 1.00 0.48 H new ATOM 0 HA LEU A 112 8.029 2.506 -9.002 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.974 4.145 -9.277 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.873 5.189 -8.193 1.00 0.60 H new ATOM 0 HG LEU A 112 8.052 3.993 -10.744 1.00 0.70 H new ATOM 0 HD11 LEU A 112 7.738 6.269 -11.703 1.00 1.45 H new ATOM 0 HD12 LEU A 112 6.177 5.544 -11.251 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.919 6.782 -10.209 1.00 1.45 H new ATOM 0 HD21 LEU A 112 9.803 5.716 -10.407 1.00 1.26 H new ATOM 0 HD22 LEU A 112 9.001 6.239 -8.907 1.00 1.26 H new ATOM 0 HD23 LEU A 112 9.713 4.612 -9.015 1.00 1.26 H new ATOM 912 N TRP A 113 8.313 4.339 -6.268 1.00 0.48 N ATOM 913 CA TRP A 113 9.322 4.771 -5.271 1.00 0.48 C ATOM 914 C TRP A 113 10.055 3.535 -4.738 1.00 0.43 C ATOM 915 O TRP A 113 11.264 3.525 -4.615 1.00 0.45 O ATOM 916 CB TRP A 113 8.619 5.499 -4.126 1.00 0.52 C ATOM 917 CG TRP A 113 9.616 5.834 -3.065 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.418 6.924 -3.064 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.932 5.093 -1.855 1.00 0.55 C ATOM 920 NE1 TRP A 113 11.203 6.898 -1.926 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.940 5.789 -1.148 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.442 3.897 -1.306 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.448 5.310 0.060 1.00 0.70 C ATOM 924 CZ3 TRP A 113 9.950 3.411 -0.092 1.00 0.58 C ATOM 925 CH2 TRP A 113 10.950 4.117 0.591 1.00 0.67 C ATOM 0 H TRP A 113 7.367 4.686 -6.111 1.00 0.48 H new ATOM 0 HA TRP A 113 10.042 5.447 -5.733 1.00 0.48 H new ATOM 0 HB2 TRP A 113 8.145 6.408 -4.495 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.828 4.872 -3.713 1.00 0.52 H new ATOM 0 HD1 TRP A 113 10.441 7.688 -3.827 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.893 7.612 -1.690 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.669 3.347 -1.822 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.220 5.857 0.581 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.569 2.488 0.319 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.335 3.739 1.527 1.00 0.67 H new ATOM 936 N ILE A 114 9.335 2.487 -4.430 1.00 0.39 N ATOM 937 CA ILE A 114 9.999 1.254 -3.916 1.00 0.37 C ATOM 938 C ILE A 114 10.990 0.733 -4.957 1.00 0.39 C ATOM 939 O ILE A 114 11.964 0.088 -4.629 1.00 0.44 O ATOM 940 CB ILE A 114 8.952 0.175 -3.622 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.005 0.692 -2.530 1.00 0.37 C ATOM 942 CG2 ILE A 114 9.658 -1.104 -3.145 1.00 0.42 C ATOM 943 CD1 ILE A 114 6.923 -0.348 -2.235 1.00 1.00 C ATOM 0 H ILE A 114 8.320 2.433 -4.512 1.00 0.39 H new ATOM 0 HA ILE A 114 10.530 1.496 -2.995 1.00 0.37 H new ATOM 0 HB ILE A 114 8.381 -0.052 -4.523 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.568 0.909 -1.622 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.544 1.626 -2.850 1.00 0.37 H new ATOM 0 HG21 ILE A 114 8.915 -1.873 -2.935 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.336 -1.457 -3.922 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.225 -0.890 -2.239 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.257 0.030 -1.459 1.00 1.00 H new ATOM 0 HD12 ILE A 114 6.350 -0.544 -3.141 1.00 1.00 H new ATOM 0 HD13 ILE A 114 7.390 -1.272 -1.894 1.00 1.00 H new ATOM 955 N TYR A 115 10.758 0.990 -6.213 1.00 0.40 N ATOM 956 CA TYR A 115 11.715 0.491 -7.235 1.00 0.46 C ATOM 957 C TYR A 115 13.053 1.235 -7.082 1.00 0.51 C ATOM 958 O TYR A 115 14.083 0.640 -6.835 1.00 0.54 O ATOM 959 CB TYR A 115 11.138 0.720 -8.638 1.00 0.53 C ATOM 960 CG TYR A 115 11.833 -0.188 -9.625 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.521 -1.554 -9.658 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.790 0.331 -10.503 1.00 0.74 C ATOM 963 CE1 TYR A 115 12.166 -2.397 -10.568 1.00 0.65 C ATOM 964 CE2 TYR A 115 13.434 -0.512 -11.413 1.00 0.82 C ATOM 965 CZ TYR A 115 13.123 -1.877 -11.446 1.00 0.77 C ATOM 966 OH TYR A 115 13.760 -2.709 -12.342 1.00 0.87 O ATOM 0 H TYR A 115 9.960 1.515 -6.571 1.00 0.40 H new ATOM 0 HA TYR A 115 11.881 -0.577 -7.094 1.00 0.46 H new ATOM 0 HB2 TYR A 115 10.066 0.522 -8.638 1.00 0.53 H new ATOM 0 HB3 TYR A 115 11.270 1.762 -8.931 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.782 -1.956 -8.980 1.00 0.56 H new ATOM 0 HD2 TYR A 115 13.031 1.383 -10.478 1.00 0.74 H new ATOM 0 HE1 TYR A 115 11.925 -3.450 -10.593 1.00 0.65 H new ATOM 0 HE2 TYR A 115 14.172 -0.110 -12.091 1.00 0.82 H new ATOM 0 HH TYR A 115 14.394 -2.188 -12.878 1.00 0.87 H new ATOM 976 N HIS A 116 13.036 2.532 -7.236 1.00 0.58 N ATOM 977 CA HIS A 116 14.293 3.336 -7.115 1.00 0.67 C ATOM 978 C HIS A 116 14.823 3.326 -5.676 1.00 0.67 C ATOM 979 O HIS A 116 15.443 4.277 -5.241 1.00 0.81 O ATOM 980 CB HIS A 116 14.011 4.780 -7.535 1.00 0.79 C ATOM 981 CG HIS A 116 13.526 4.804 -8.958 1.00 1.20 C ATOM 982 ND1 HIS A 116 12.411 4.090 -9.373 1.00 1.99 N ATOM 983 CD2 HIS A 116 13.992 5.453 -10.075 1.00 2.05 C ATOM 984 CE1 HIS A 116 12.246 4.324 -10.687 1.00 2.71 C ATOM 985 NE2 HIS A 116 13.182 5.149 -11.165 1.00 2.74 N ATOM 0 H HIS A 116 12.198 3.076 -7.442 1.00 0.58 H new ATOM 0 HA HIS A 116 15.048 2.891 -7.764 1.00 0.67 H new ATOM 0 HB2 HIS A 116 13.262 5.221 -6.877 1.00 0.79 H new ATOM 0 HB3 HIS A 116 14.915 5.381 -7.438 1.00 0.79 H new ATOM 0 HD2 HIS A 116 14.856 6.101 -10.103 1.00 2.05 H new ATOM 0 HE1 HIS A 116 11.453 3.897 -11.283 1.00 2.71 H new ATOM 0 HE2 HIS A 116 13.282 5.484 -12.123 1.00 2.74 H new ATOM 993 N THR A 117 14.607 2.262 -4.942 1.00 0.63 N ATOM 994 CA THR A 117 15.132 2.179 -3.532 1.00 0.68 C ATOM 995 C THR A 117 15.961 0.901 -3.390 1.00 0.66 C ATOM 996 O THR A 117 17.121 0.859 -3.745 1.00 0.73 O ATOM 997 CB THR A 117 13.982 2.154 -2.529 1.00 0.80 C ATOM 998 OG1 THR A 117 13.008 1.211 -2.933 1.00 0.85 O ATOM 999 CG2 THR A 117 13.345 3.544 -2.441 1.00 0.91 C ATOM 0 H THR A 117 14.088 1.441 -5.255 1.00 0.63 H new ATOM 0 HA THR A 117 15.748 3.055 -3.328 1.00 0.68 H new ATOM 0 HB THR A 117 14.370 1.870 -1.551 1.00 0.80 H new ATOM 0 HG1 THR A 117 13.233 0.869 -3.823 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.524 3.523 -1.724 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.093 4.267 -2.115 1.00 0.91 H new ATOM 0 HG23 THR A 117 12.964 3.832 -3.421 1.00 0.91 H new ATOM 1007 N GLN A 118 15.370 -0.149 -2.879 1.00 0.73 N ATOM 1008 CA GLN A 118 16.121 -1.432 -2.725 1.00 0.83 C ATOM 1009 C GLN A 118 16.029 -2.227 -4.034 1.00 0.72 C ATOM 1010 O GLN A 118 16.747 -3.185 -4.242 1.00 0.91 O ATOM 1011 CB GLN A 118 15.522 -2.250 -1.565 1.00 1.06 C ATOM 1012 CG GLN A 118 14.976 -1.302 -0.488 1.00 1.48 C ATOM 1013 CD GLN A 118 13.571 -0.817 -0.870 1.00 2.12 C ATOM 1014 OE1 GLN A 118 13.063 -1.149 -2.029 1.00 2.89 O flip ATOM 1015 NE2 GLN A 118 12.927 -0.129 -0.104 1.00 2.13 N flip ATOM 0 H GLN A 118 14.401 -0.174 -2.562 1.00 0.73 H new ATOM 0 HA GLN A 118 17.167 -1.222 -2.501 1.00 0.83 H new ATOM 0 HB2 GLN A 118 14.723 -2.893 -1.935 1.00 1.06 H new ATOM 0 HB3 GLN A 118 16.283 -2.902 -1.137 1.00 1.06 H new ATOM 0 HG2 GLN A 118 14.943 -1.814 0.474 1.00 1.48 H new ATOM 0 HG3 GLN A 118 15.644 -0.449 -0.372 1.00 1.48 H new ATOM 0 HE21 GLN A 118 13.320 0.132 0.800 1.00 2.13 H new ATOM 0 HE22 GLN A 118 11.993 0.188 -0.365 1.00 2.13 H new ATOM 1024 N GLY A 119 15.159 -1.824 -4.922 1.00 0.86 N ATOM 1025 CA GLY A 119 15.026 -2.539 -6.226 1.00 0.85 C ATOM 1026 C GLY A 119 14.074 -3.731 -6.098 1.00 0.65 C ATOM 1027 O GLY A 119 14.186 -4.697 -6.827 1.00 0.67 O ATOM 0 H GLY A 119 14.533 -1.028 -4.800 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.655 -1.852 -6.986 1.00 0.85 H new ATOM 0 HA3 GLY A 119 16.005 -2.884 -6.558 1.00 0.85 H new ATOM 1031 N TYR A 120 13.129 -3.683 -5.200 1.00 0.54 N ATOM 1032 CA TYR A 120 12.186 -4.831 -5.078 1.00 0.44 C ATOM 1033 C TYR A 120 11.229 -4.804 -6.272 1.00 0.49 C ATOM 1034 O TYR A 120 10.841 -3.751 -6.739 1.00 0.70 O ATOM 1035 CB TYR A 120 11.384 -4.731 -3.770 1.00 0.48 C ATOM 1036 CG TYR A 120 12.265 -5.056 -2.575 1.00 0.52 C ATOM 1037 CD1 TYR A 120 12.926 -6.291 -2.491 1.00 0.58 C ATOM 1038 CD2 TYR A 120 12.420 -4.115 -1.548 1.00 0.60 C ATOM 1039 CE1 TYR A 120 13.737 -6.575 -1.384 1.00 0.71 C ATOM 1040 CE2 TYR A 120 13.231 -4.403 -0.444 1.00 0.71 C ATOM 1041 CZ TYR A 120 13.891 -5.632 -0.363 1.00 0.75 C ATOM 1042 OH TYR A 120 14.692 -5.915 0.725 1.00 0.91 O ATOM 0 H TYR A 120 12.969 -2.910 -4.554 1.00 0.54 H new ATOM 0 HA TYR A 120 12.749 -5.764 -5.066 1.00 0.44 H new ATOM 0 HB2 TYR A 120 10.975 -3.726 -3.664 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.538 -5.418 -3.802 1.00 0.48 H new ATOM 0 HD1 TYR A 120 12.810 -7.021 -3.278 1.00 0.58 H new ATOM 0 HD2 TYR A 120 11.912 -3.164 -1.609 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.245 -7.526 -1.319 1.00 0.71 H new ATOM 0 HE2 TYR A 120 13.347 -3.675 0.345 1.00 0.71 H new ATOM 0 HH TYR A 120 14.690 -5.152 1.340 1.00 0.91 H new ATOM 1052 N PHE A 121 10.860 -5.949 -6.787 1.00 0.48 N ATOM 1053 CA PHE A 121 9.941 -5.980 -7.972 1.00 0.57 C ATOM 1054 C PHE A 121 8.478 -6.070 -7.500 1.00 0.55 C ATOM 1055 O PHE A 121 8.202 -6.609 -6.445 1.00 0.59 O ATOM 1056 CB PHE A 121 10.275 -7.199 -8.837 1.00 0.68 C ATOM 1057 CG PHE A 121 10.570 -8.377 -7.941 1.00 1.42 C ATOM 1058 CD1 PHE A 121 9.519 -9.071 -7.335 1.00 2.32 C ATOM 1059 CD2 PHE A 121 11.893 -8.773 -7.715 1.00 2.33 C ATOM 1060 CE1 PHE A 121 9.791 -10.165 -6.504 1.00 3.44 C ATOM 1061 CE2 PHE A 121 12.164 -9.866 -6.884 1.00 3.43 C ATOM 1062 CZ PHE A 121 11.113 -10.561 -6.279 1.00 3.85 C ATOM 0 H PHE A 121 11.153 -6.863 -6.442 1.00 0.48 H new ATOM 0 HA PHE A 121 10.072 -5.068 -8.554 1.00 0.57 H new ATOM 0 HB2 PHE A 121 9.440 -7.430 -9.499 1.00 0.68 H new ATOM 0 HB3 PHE A 121 11.135 -6.985 -9.472 1.00 0.68 H new ATOM 0 HD1 PHE A 121 8.498 -8.764 -7.507 1.00 2.32 H new ATOM 0 HD2 PHE A 121 12.705 -8.235 -8.182 1.00 2.33 H new ATOM 0 HE1 PHE A 121 8.979 -10.703 -6.037 1.00 3.44 H new ATOM 0 HE2 PHE A 121 13.185 -10.172 -6.710 1.00 3.43 H new ATOM 0 HZ PHE A 121 11.322 -11.404 -5.637 1.00 3.85 H new ATOM 1072 N PRO A 122 7.543 -5.546 -8.270 1.00 0.64 N ATOM 1073 CA PRO A 122 6.089 -5.568 -7.911 1.00 0.67 C ATOM 1074 C PRO A 122 5.398 -6.902 -8.224 1.00 0.73 C ATOM 1075 O PRO A 122 4.943 -7.137 -9.326 1.00 1.19 O ATOM 1076 CB PRO A 122 5.512 -4.461 -8.790 1.00 0.80 C ATOM 1077 CG PRO A 122 6.329 -4.538 -10.034 1.00 1.05 C ATOM 1078 CD PRO A 122 7.752 -4.866 -9.568 1.00 0.87 C ATOM 0 HA PRO A 122 5.939 -5.432 -6.840 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.454 -4.623 -8.995 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.599 -3.485 -8.313 1.00 0.80 H new ATOM 0 HG2 PRO A 122 5.949 -5.307 -10.706 1.00 1.05 H new ATOM 0 HG3 PRO A 122 6.302 -3.595 -10.580 1.00 1.05 H new ATOM 0 HD2 PRO A 122 8.269 -5.510 -10.280 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.355 -3.965 -9.456 1.00 0.87 H new ATOM 1086 N ASP A 123 5.293 -7.756 -7.250 1.00 0.56 N ATOM 1087 CA ASP A 123 4.604 -9.063 -7.451 1.00 0.64 C ATOM 1088 C ASP A 123 4.199 -9.588 -6.076 1.00 0.58 C ATOM 1089 O ASP A 123 3.990 -10.769 -5.877 1.00 0.65 O ATOM 1090 CB ASP A 123 5.548 -10.054 -8.148 1.00 0.74 C ATOM 1091 CG ASP A 123 6.627 -10.533 -7.171 1.00 0.77 C ATOM 1092 OD1 ASP A 123 6.791 -9.896 -6.143 1.00 1.38 O ATOM 1093 OD2 ASP A 123 7.269 -11.526 -7.468 1.00 1.27 O ATOM 0 H ASP A 123 5.659 -7.605 -6.310 1.00 0.56 H new ATOM 0 HA ASP A 123 3.724 -8.941 -8.082 1.00 0.64 H new ATOM 0 HB2 ASP A 123 4.981 -10.907 -8.521 1.00 0.74 H new ATOM 0 HB3 ASP A 123 6.014 -9.578 -9.011 1.00 0.74 H new ATOM 1098 N TRP A 124 4.117 -8.698 -5.124 1.00 0.53 N ATOM 1099 CA TRP A 124 3.759 -9.079 -3.729 1.00 0.52 C ATOM 1100 C TRP A 124 2.530 -8.292 -3.291 1.00 0.51 C ATOM 1101 O TRP A 124 1.832 -8.658 -2.365 1.00 0.55 O ATOM 1102 CB TRP A 124 4.940 -8.714 -2.829 1.00 0.49 C ATOM 1103 CG TRP A 124 5.203 -7.250 -2.980 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.012 -6.687 -3.911 1.00 0.44 C ATOM 1105 CD2 TRP A 124 4.650 -6.154 -2.202 1.00 0.42 C ATOM 1106 NE1 TRP A 124 5.982 -5.312 -3.753 1.00 0.42 N ATOM 1107 CE2 TRP A 124 5.160 -4.935 -2.708 1.00 0.41 C ATOM 1108 CE3 TRP A 124 3.767 -6.104 -1.111 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 4.797 -3.707 -2.154 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 3.401 -4.871 -0.551 1.00 0.58 C ATOM 1111 CH2 TRP A 124 3.916 -3.676 -1.069 1.00 0.55 C ATOM 0 H TRP A 124 4.287 -7.701 -5.259 1.00 0.53 H new ATOM 0 HA TRP A 124 3.542 -10.145 -3.665 1.00 0.52 H new ATOM 0 HB2 TRP A 124 4.716 -8.955 -1.790 1.00 0.49 H new ATOM 0 HB3 TRP A 124 5.823 -9.290 -3.107 1.00 0.49 H new ATOM 0 HD1 TRP A 124 6.585 -7.223 -4.653 1.00 0.44 H new ATOM 0 HE1 TRP A 124 6.503 -4.657 -4.336 1.00 0.42 H new ATOM 0 HE3 TRP A 124 3.368 -7.020 -0.701 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 5.193 -2.788 -2.560 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 2.718 -4.843 0.285 1.00 0.58 H new ATOM 0 HH2 TRP A 124 3.633 -2.731 -0.630 1.00 0.55 H new ATOM 1122 N GLN A 125 2.272 -7.209 -3.954 1.00 0.53 N ATOM 1123 CA GLN A 125 1.095 -6.365 -3.595 1.00 0.60 C ATOM 1124 C GLN A 125 -0.196 -7.036 -4.080 1.00 0.66 C ATOM 1125 O GLN A 125 -0.508 -7.042 -5.254 1.00 0.84 O ATOM 1126 CB GLN A 125 1.233 -4.966 -4.222 1.00 0.69 C ATOM 1127 CG GLN A 125 1.779 -5.067 -5.649 1.00 1.56 C ATOM 1128 CD GLN A 125 1.725 -3.686 -6.305 1.00 2.18 C ATOM 1129 OE1 GLN A 125 1.293 -2.728 -5.695 1.00 2.78 O ATOM 1130 NE2 GLN A 125 2.145 -3.540 -7.531 1.00 2.82 N ATOM 0 H GLN A 125 2.827 -6.864 -4.737 1.00 0.53 H new ATOM 0 HA GLN A 125 1.054 -6.259 -2.511 1.00 0.60 H new ATOM 0 HB2 GLN A 125 0.263 -4.469 -4.232 1.00 0.69 H new ATOM 0 HB3 GLN A 125 1.899 -4.353 -3.614 1.00 0.69 H new ATOM 0 HG2 GLN A 125 2.804 -5.436 -5.634 1.00 1.56 H new ATOM 0 HG3 GLN A 125 1.192 -5.781 -6.227 1.00 1.56 H new ATOM 0 HE21 GLN A 125 2.508 -4.343 -8.045 1.00 2.82 H new ATOM 0 HE22 GLN A 125 2.111 -2.623 -7.976 1.00 2.82 H new ATOM 1139 N ASN A 126 -0.952 -7.597 -3.173 1.00 0.64 N ATOM 1140 CA ASN A 126 -2.231 -8.267 -3.555 1.00 0.72 C ATOM 1141 C ASN A 126 -3.235 -8.097 -2.411 1.00 0.69 C ATOM 1142 O ASN A 126 -2.860 -7.804 -1.293 1.00 1.22 O ATOM 1143 CB ASN A 126 -1.970 -9.754 -3.815 1.00 0.84 C ATOM 1144 CG ASN A 126 -1.119 -9.901 -5.081 1.00 0.89 C ATOM 1145 OD1 ASN A 126 0.126 -9.501 -5.074 1.00 1.53 O flip ATOM 1146 ND2 ASN A 126 -1.594 -10.383 -6.091 1.00 0.88 N flip ATOM 0 H ASN A 126 -0.737 -7.620 -2.176 1.00 0.64 H new ATOM 0 HA ASN A 126 -2.635 -7.819 -4.463 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -1.457 -10.200 -2.963 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -2.914 -10.286 -3.933 1.00 0.84 H new ATOM 0 HD21 ASN A 126 -2.565 -10.696 -6.099 1.00 0.88 H new ATOM 0 HD22 ASN A 126 -1.022 -10.475 -6.930 1.00 0.88 H new ATOM 1153 N TYR A 127 -4.505 -8.262 -2.677 1.00 0.69 N ATOM 1154 CA TYR A 127 -5.525 -8.078 -1.599 1.00 0.61 C ATOM 1155 C TYR A 127 -6.838 -8.747 -2.012 1.00 0.63 C ATOM 1156 O TYR A 127 -7.110 -8.942 -3.179 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.806 -6.581 -1.395 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.526 -5.828 -1.121 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -3.767 -5.323 -2.183 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -4.102 -5.631 0.198 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -2.582 -4.624 -1.926 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -2.917 -4.931 0.456 1.00 1.19 C ATOM 1163 CZ TYR A 127 -2.156 -4.428 -0.608 1.00 1.23 C ATOM 1164 OH TYR A 127 -0.984 -3.740 -0.356 1.00 1.48 O ATOM 0 H TYR A 127 -4.880 -8.515 -3.591 1.00 0.69 H new ATOM 0 HA TYR A 127 -5.141 -8.521 -0.680 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -6.290 -6.173 -2.282 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -6.498 -6.446 -0.564 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -4.096 -5.473 -3.201 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.689 -6.019 1.017 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -1.996 -4.236 -2.746 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.590 -4.779 1.474 1.00 1.19 H new ATOM 0 HH TYR A 127 -0.467 -4.214 0.329 1.00 1.48 H new ATOM 1174 N THR A 128 -7.654 -9.094 -1.052 1.00 0.62 N ATOM 1175 CA THR A 128 -8.958 -9.747 -1.369 1.00 0.68 C ATOM 1176 C THR A 128 -9.863 -8.746 -2.105 1.00 0.75 C ATOM 1177 O THR A 128 -9.715 -7.550 -1.949 1.00 0.97 O ATOM 1178 CB THR A 128 -9.635 -10.188 -0.056 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.329 -9.249 0.966 1.00 1.22 O ATOM 1180 CG2 THR A 128 -9.128 -11.571 0.359 1.00 0.90 C ATOM 0 H THR A 128 -7.473 -8.953 -0.058 1.00 0.62 H new ATOM 0 HA THR A 128 -8.791 -10.617 -2.004 1.00 0.68 H new ATOM 0 HB THR A 128 -10.713 -10.235 -0.208 1.00 0.86 H new ATOM 0 HG1 THR A 128 -10.155 -8.974 1.416 1.00 1.22 H new ATOM 0 HG21 THR A 128 -9.613 -11.873 1.288 1.00 0.90 H new ATOM 0 HG22 THR A 128 -9.361 -12.294 -0.423 1.00 0.90 H new ATOM 0 HG23 THR A 128 -8.049 -11.533 0.509 1.00 0.90 H new ATOM 1249 N ARG A 134 -10.350 -5.283 2.919 1.00 0.51 N ATOM 1250 CA ARG A 134 -9.365 -5.850 1.961 1.00 0.49 C ATOM 1251 C ARG A 134 -8.139 -6.366 2.717 1.00 0.40 C ATOM 1252 O ARG A 134 -7.227 -5.618 3.026 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.948 -4.757 0.980 1.00 0.58 C ATOM 1254 CG ARG A 134 -10.092 -4.463 0.000 1.00 1.06 C ATOM 1255 CD ARG A 134 -9.562 -3.618 -1.159 1.00 1.37 C ATOM 1256 NE ARG A 134 -8.796 -4.486 -2.094 1.00 1.86 N ATOM 1257 CZ ARG A 134 -8.526 -4.063 -3.297 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -8.940 -2.888 -3.684 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -7.843 -4.818 -4.113 1.00 3.36 N ATOM 0 HA ARG A 134 -9.815 -6.681 1.418 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -8.683 -3.851 1.524 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -8.060 -5.070 0.431 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -10.511 -5.396 -0.377 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -10.897 -3.935 0.511 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -10.390 -3.141 -1.684 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -8.923 -2.821 -0.780 1.00 1.37 H new ATOM 0 HE ARG A 134 -8.483 -5.409 -1.794 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -9.475 -2.300 -3.045 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -8.728 -2.557 -4.625 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -7.522 -5.737 -3.809 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -7.631 -4.489 -5.055 1.00 3.36 H new ATOM 1273 N TYR A 135 -8.105 -7.640 3.009 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.940 -8.211 3.736 1.00 0.39 C ATOM 1275 C TYR A 135 -5.811 -8.474 2.724 1.00 0.36 C ATOM 1276 O TYR A 135 -6.075 -8.852 1.600 1.00 0.39 O ATOM 1277 CB TYR A 135 -7.349 -9.539 4.386 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.401 -9.302 5.443 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -8.018 -9.002 6.756 1.00 0.66 C ATOM 1280 CD2 TYR A 135 -9.759 -9.404 5.117 1.00 0.72 C ATOM 1281 CE1 TYR A 135 -8.993 -8.800 7.741 1.00 0.85 C ATOM 1282 CE2 TYR A 135 -10.735 -9.206 6.103 1.00 0.91 C ATOM 1283 CZ TYR A 135 -10.351 -8.902 7.416 1.00 0.92 C ATOM 1284 OH TYR A 135 -11.311 -8.699 8.389 1.00 1.17 O ATOM 0 H TYR A 135 -8.838 -8.309 2.773 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.603 -7.516 4.505 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.733 -10.220 3.627 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.477 -10.018 4.832 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -6.971 -8.926 7.009 1.00 0.66 H new ATOM 0 HD2 TYR A 135 -10.055 -9.636 4.104 1.00 0.72 H new ATOM 0 HE1 TYR A 135 -8.697 -8.565 8.753 1.00 0.85 H new ATOM 0 HE2 TYR A 135 -11.782 -9.288 5.851 1.00 0.91 H new ATOM 0 HH TYR A 135 -12.202 -8.806 7.996 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.567 -8.288 3.102 1.00 0.37 N ATOM 1295 CA PRO A 136 -3.418 -8.527 2.179 1.00 0.38 C ATOM 1296 C PRO A 136 -3.132 -10.024 2.016 1.00 0.37 C ATOM 1297 O PRO A 136 -2.902 -10.723 2.981 1.00 0.38 O ATOM 1298 CB PRO A 136 -2.250 -7.828 2.887 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.580 -7.929 4.340 1.00 0.51 C ATOM 1300 CD PRO A 136 -4.107 -7.838 4.431 1.00 0.44 C ATOM 0 HA PRO A 136 -3.603 -8.153 1.172 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -1.301 -8.314 2.661 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -2.159 -6.789 2.572 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -2.219 -8.869 4.758 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -2.106 -7.126 4.905 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.499 -8.473 5.226 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.435 -6.821 4.644 1.00 0.44 H new ATOM 1308 N LEU A 137 -3.138 -10.523 0.809 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.853 -11.973 0.621 1.00 0.43 C ATOM 1310 C LEU A 137 -1.437 -12.261 1.122 1.00 0.41 C ATOM 1311 O LEU A 137 -1.208 -13.193 1.868 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.962 -12.339 -0.863 1.00 0.51 C ATOM 1313 CG LEU A 137 -4.280 -11.795 -1.435 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -4.469 -12.248 -2.902 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -5.460 -12.275 -0.569 1.00 0.92 C ATOM 0 H LEU A 137 -3.325 -9.997 -0.044 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.575 -12.567 1.181 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -2.117 -11.924 -1.413 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.921 -13.421 -0.985 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.246 -10.706 -1.419 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -5.409 -11.852 -3.287 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.643 -11.875 -3.507 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -4.489 -13.337 -2.947 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -6.393 -11.887 -0.978 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -5.490 -13.365 -0.567 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -5.333 -11.913 0.451 1.00 0.92 H new ATOM 1327 N THR A 138 -0.488 -11.456 0.726 1.00 0.50 N ATOM 1328 CA THR A 138 0.915 -11.669 1.185 1.00 0.55 C ATOM 1329 C THR A 138 0.976 -11.474 2.704 1.00 0.47 C ATOM 1330 O THR A 138 0.181 -10.759 3.281 1.00 0.50 O ATOM 1331 CB THR A 138 1.844 -10.661 0.485 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.147 -9.438 0.282 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.288 -11.217 -0.870 1.00 1.04 C ATOM 0 H THR A 138 -0.624 -10.659 0.104 1.00 0.50 H new ATOM 0 HA THR A 138 1.240 -12.679 0.935 1.00 0.55 H new ATOM 0 HB THR A 138 2.720 -10.488 1.110 1.00 0.73 H new ATOM 0 HG1 THR A 138 1.322 -9.108 -0.624 1.00 0.98 H new ATOM 0 HG21 THR A 138 2.945 -10.499 -1.360 1.00 1.04 H new ATOM 0 HG22 THR A 138 2.823 -12.155 -0.721 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.413 -11.394 -1.495 1.00 1.04 H new ATOM 1341 N PHE A 139 1.911 -12.118 3.358 1.00 0.51 N ATOM 1342 CA PHE A 139 2.025 -11.989 4.848 1.00 0.49 C ATOM 1343 C PHE A 139 3.137 -11.004 5.214 1.00 0.65 C ATOM 1344 O PHE A 139 4.081 -10.809 4.476 1.00 1.43 O ATOM 1345 CB PHE A 139 2.348 -13.360 5.451 1.00 0.52 C ATOM 1346 CG PHE A 139 2.495 -13.237 6.956 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.399 -12.851 7.737 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.724 -13.518 7.571 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.532 -12.740 9.127 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.856 -13.407 8.961 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.760 -13.020 9.739 1.00 0.66 C ATOM 0 H PHE A 139 2.603 -12.730 2.925 1.00 0.51 H new ATOM 0 HA PHE A 139 1.079 -11.619 5.244 1.00 0.49 H new ATOM 0 HB2 PHE A 139 1.556 -14.069 5.210 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.268 -13.751 5.017 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.450 -12.639 7.267 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.570 -13.820 6.972 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.687 -12.438 9.727 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.804 -13.620 9.432 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.861 -12.937 10.811 1.00 0.66 H new ATOM 1361 N GLY A 140 3.034 -10.395 6.366 1.00 0.46 N ATOM 1362 CA GLY A 140 4.082 -9.431 6.815 1.00 0.43 C ATOM 1363 C GLY A 140 3.684 -8.006 6.429 1.00 0.35 C ATOM 1364 O GLY A 140 4.011 -7.053 7.110 1.00 0.32 O ATOM 0 H GLY A 140 2.262 -10.525 7.020 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.213 -9.501 7.895 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.040 -9.685 6.361 1.00 0.43 H new ATOM 1368 N TRP A 141 2.985 -7.854 5.343 1.00 0.34 N ATOM 1369 CA TRP A 141 2.567 -6.489 4.909 1.00 0.29 C ATOM 1370 C TRP A 141 1.422 -6.014 5.796 1.00 0.32 C ATOM 1371 O TRP A 141 0.273 -6.349 5.587 1.00 0.40 O ATOM 1372 CB TRP A 141 2.137 -6.551 3.440 1.00 0.33 C ATOM 1373 CG TRP A 141 1.991 -5.181 2.831 1.00 0.31 C ATOM 1374 CD1 TRP A 141 0.900 -4.786 2.132 1.00 0.35 C ATOM 1375 CD2 TRP A 141 2.920 -4.038 2.809 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.093 -3.497 1.677 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.313 -2.989 2.067 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.207 -3.796 3.345 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.950 -1.766 1.863 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.846 -2.559 3.138 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.218 -1.549 2.399 1.00 0.33 C ATOM 0 H TRP A 141 2.683 -8.615 4.734 1.00 0.34 H new ATOM 0 HA TRP A 141 3.392 -5.783 5.004 1.00 0.29 H new ATOM 0 HB2 TRP A 141 2.871 -7.123 2.872 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.189 -7.084 3.363 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.018 -5.385 1.958 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.413 -2.982 1.118 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.703 -4.566 3.917 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.463 -0.990 1.292 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.828 -2.388 3.552 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.716 -0.603 2.245 1.00 0.33 H new ATOM 1392 N CYS A 142 1.741 -5.254 6.806 1.00 0.31 N ATOM 1393 CA CYS A 142 0.696 -4.766 7.744 1.00 0.40 C ATOM 1394 C CYS A 142 -0.031 -3.549 7.161 1.00 0.39 C ATOM 1395 O CYS A 142 -0.327 -2.596 7.854 1.00 0.48 O ATOM 1396 CB CYS A 142 1.368 -4.418 9.078 1.00 0.47 C ATOM 1397 SG CYS A 142 3.093 -3.942 8.794 1.00 1.45 S ATOM 0 H CYS A 142 2.690 -4.948 7.022 1.00 0.31 H new ATOM 0 HA CYS A 142 -0.052 -5.543 7.903 1.00 0.40 H new ATOM 0 HB2 CYS A 142 0.832 -3.603 9.563 1.00 0.47 H new ATOM 0 HB3 CYS A 142 1.324 -5.274 9.752 1.00 0.47 H new ATOM 0 HG CYS A 142 3.792 -4.998 8.502 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.341 -3.589 5.896 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.078 -2.456 5.251 1.00 0.40 C ATOM 1405 C TYR A 143 -2.348 -3.027 4.616 1.00 0.43 C ATOM 1406 O TYR A 143 -2.349 -3.444 3.474 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.179 -1.821 4.173 1.00 0.55 C ATOM 1408 CG TYR A 143 0.558 -0.615 4.735 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.169 0.483 5.210 1.00 2.16 C ATOM 1410 CD2 TYR A 143 1.959 -0.591 4.768 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.502 1.602 5.719 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.629 0.528 5.276 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.901 1.625 5.750 1.00 3.52 C ATOM 1414 OH TYR A 143 2.563 2.727 6.252 1.00 4.57 O ATOM 0 H TYR A 143 -0.115 -4.363 5.272 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.340 -1.690 5.981 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.539 -2.557 3.811 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -0.784 -1.519 3.318 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.249 0.467 5.184 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.522 -1.437 4.401 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -0.060 2.447 6.088 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.709 0.545 5.302 1.00 3.14 H new ATOM 0 HH TYR A 143 3.530 2.579 6.201 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.430 -3.048 5.352 1.00 0.39 N ATOM 1425 CA LYS A 144 -4.709 -3.592 4.800 1.00 0.51 C ATOM 1426 C LYS A 144 -5.581 -2.428 4.350 1.00 0.43 C ATOM 1427 O LYS A 144 -5.765 -1.466 5.070 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.442 -4.391 5.883 1.00 0.70 C ATOM 1429 CG LYS A 144 -5.773 -3.478 7.061 1.00 1.21 C ATOM 1430 CD LYS A 144 -6.177 -4.322 8.273 1.00 1.24 C ATOM 1431 CE LYS A 144 -6.777 -3.421 9.358 1.00 1.57 C ATOM 1432 NZ LYS A 144 -8.160 -3.022 8.968 1.00 2.32 N ATOM 0 H LYS A 144 -3.484 -2.711 6.313 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.497 -4.249 3.956 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -6.357 -4.820 5.475 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -4.822 -5.222 6.218 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -4.910 -2.860 7.308 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -6.583 -2.801 6.792 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -6.902 -5.079 7.975 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -5.308 -4.850 8.666 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -6.795 -3.947 10.313 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -6.157 -2.535 9.493 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -8.267 -1.993 9.074 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -8.332 -3.287 7.977 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -8.847 -3.507 9.580 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.130 -2.503 3.172 1.00 0.40 N ATOM 1447 CA LEU A 145 -6.999 -1.393 2.702 1.00 0.37 C ATOM 1448 C LEU A 145 -8.374 -1.566 3.353 1.00 0.38 C ATOM 1449 O LEU A 145 -8.697 -2.626 3.855 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.087 -1.423 1.164 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.889 -0.649 0.557 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.578 -1.186 -0.849 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -6.210 0.861 0.482 1.00 0.52 C ATOM 0 H LEU A 145 -6.016 -3.278 2.519 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.590 -0.423 2.985 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.083 -2.454 0.810 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -8.025 -0.976 0.835 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.018 -0.792 1.197 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.735 -0.638 -1.270 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.327 -2.245 -0.787 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.451 -1.057 -1.489 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -5.360 1.393 0.054 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -7.088 1.016 -0.145 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -6.408 1.241 1.484 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.176 -0.539 3.375 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.518 -0.646 4.036 1.00 0.50 C ATOM 1467 C VAL A 146 -11.471 0.375 3.387 1.00 0.59 C ATOM 1468 O VAL A 146 -11.091 1.509 3.172 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.367 -0.271 5.522 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.713 -0.397 6.242 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.356 -1.192 6.206 1.00 0.56 C ATOM 0 H VAL A 146 -8.966 0.371 2.966 1.00 0.43 H new ATOM 0 HA VAL A 146 -10.906 -1.659 3.929 1.00 0.50 H new ATOM 0 HB VAL A 146 -10.016 0.760 5.575 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.591 -0.129 7.291 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.438 0.272 5.778 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.070 -1.424 6.169 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.262 -0.913 7.255 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -9.698 -2.225 6.134 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.387 -1.096 5.716 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.700 0.003 3.079 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.675 0.947 2.462 1.00 0.81 C ATOM 1483 C PRO A 147 -14.393 1.815 3.505 1.00 0.91 C ATOM 1484 O PRO A 147 -14.955 1.316 4.459 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.662 0.005 1.774 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.718 -1.187 2.675 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.309 -1.336 3.269 1.00 0.75 C ATOM 0 HA PRO A 147 -13.196 1.660 1.792 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.643 0.467 1.663 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.323 -0.267 0.774 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.460 -1.047 3.461 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.005 -2.081 2.122 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.347 -1.612 4.323 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.739 -2.111 2.756 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.424 4.010 -1.242 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.953 3.153 -0.097 1.00 0.52 C ATOM 1782 C LEU A 181 -8.744 3.775 0.616 1.00 0.47 C ATOM 1783 O LEU A 181 -7.972 4.491 0.022 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.542 1.794 -0.661 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.678 1.223 -1.524 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.196 -0.048 -2.230 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.898 0.905 -0.641 1.00 0.87 C ATOM 0 HA LEU A 181 -10.763 3.061 0.627 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.636 1.897 -1.258 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.311 1.107 0.153 1.00 0.60 H new ATOM 0 HG LEU A 181 -10.968 1.961 -2.272 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.002 -0.452 -2.842 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.343 0.190 -2.865 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -9.899 -0.787 -1.486 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.699 0.501 -1.259 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.618 0.172 0.116 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.241 1.817 -0.153 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.574 3.481 1.891 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.403 4.023 2.668 1.00 0.45 C ATOM 1801 C GLU A 182 -6.504 2.893 3.171 1.00 0.42 C ATOM 1802 O GLU A 182 -6.954 1.818 3.515 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.899 4.819 3.884 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.983 4.020 4.610 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.513 4.834 5.791 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -9.383 6.047 5.755 1.00 1.62 O ATOM 1807 OE2 GLU A 182 -10.038 4.231 6.711 1.00 1.49 O ATOM 0 H GLU A 182 -9.202 2.884 2.430 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.835 4.667 1.997 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -7.069 5.024 4.560 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.295 5.783 3.564 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.796 3.783 3.924 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.577 3.072 4.962 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.229 3.168 3.235 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.244 2.167 3.737 1.00 0.38 C ATOM 1816 C TRP A 183 -4.317 2.142 5.272 1.00 0.37 C ATOM 1817 O TRP A 183 -3.995 3.117 5.921 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.833 2.611 3.302 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.493 2.069 1.947 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.290 0.763 1.659 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.293 2.798 0.703 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -1.975 0.645 0.316 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -1.967 1.872 -0.317 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.364 4.159 0.362 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.717 2.284 -1.626 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.115 4.579 -0.955 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -1.790 3.643 -1.947 1.00 0.41 C ATOM 0 H TRP A 183 -4.822 4.060 2.955 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.462 1.176 3.338 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.779 3.700 3.286 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.099 2.266 4.030 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.362 -0.054 2.362 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.773 -0.240 -0.149 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.612 4.888 1.119 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.469 1.558 -2.386 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.174 5.628 -1.205 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.596 3.971 -2.958 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.731 1.047 5.866 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.810 0.994 7.365 1.00 0.35 C ATOM 1840 C ARG A 184 -3.565 0.299 7.926 1.00 0.31 C ATOM 1841 O ARG A 184 -3.444 -0.910 7.888 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.066 0.213 7.788 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.462 0.578 9.238 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.384 1.815 9.247 1.00 1.51 C ATOM 1845 NE ARG A 184 -7.077 2.662 10.441 1.00 1.57 N ATOM 1846 CZ ARG A 184 -7.014 2.148 11.639 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -7.382 0.915 11.851 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -6.619 2.885 12.638 1.00 2.61 N ATOM 0 H ARG A 184 -5.016 0.194 5.384 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.863 2.010 7.757 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.889 0.440 7.111 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -5.879 -0.858 7.714 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -6.969 -0.265 9.707 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -5.567 0.779 9.827 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -7.243 2.392 8.333 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -8.428 1.503 9.269 1.00 1.51 H new ATOM 0 HE ARG A 184 -6.914 3.661 10.316 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -7.722 0.344 11.077 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -7.329 0.521 12.791 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -6.361 3.859 12.482 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -6.568 2.488 13.576 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.644 1.055 8.451 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.411 0.443 9.025 1.00 0.31 C ATOM 1864 C PHE A 185 -1.779 -0.380 10.264 1.00 0.31 C ATOM 1865 O PHE A 185 -2.495 0.077 11.133 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.442 1.562 9.422 1.00 0.40 C ATOM 1867 CG PHE A 185 0.803 0.987 10.065 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.784 0.590 11.409 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.983 0.871 9.321 1.00 0.62 C ATOM 1870 CE1 PHE A 185 1.944 0.074 12.003 1.00 0.75 C ATOM 1871 CE2 PHE A 185 3.141 0.359 9.915 1.00 0.74 C ATOM 1872 CZ PHE A 185 3.122 -0.039 11.256 1.00 0.71 C ATOM 0 H PHE A 185 -2.690 2.072 8.508 1.00 0.31 H new ATOM 0 HA PHE A 185 -0.942 -0.208 8.288 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.168 2.142 8.541 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.932 2.246 10.114 1.00 0.40 H new ATOM 0 HD1 PHE A 185 -0.124 0.682 11.987 1.00 0.65 H new ATOM 0 HD2 PHE A 185 1.999 1.178 8.286 1.00 0.62 H new ATOM 0 HE1 PHE A 185 1.929 -0.236 13.037 1.00 0.75 H new ATOM 0 HE2 PHE A 185 4.050 0.271 9.338 1.00 0.74 H new ATOM 0 HZ PHE A 185 4.017 -0.434 11.715 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.301 -1.594 10.347 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.622 -2.456 11.516 1.00 0.32 C ATOM 1884 C ASP A 186 -0.483 -3.457 11.733 1.00 0.30 C ATOM 1885 O ASP A 186 -0.626 -4.640 11.485 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.918 -3.204 11.212 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.533 -3.738 12.508 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -3.523 -3.013 13.489 1.00 1.23 O ATOM 1889 OD2 ASP A 186 -4.004 -4.862 12.495 1.00 1.16 O ATOM 0 H ASP A 186 -0.697 -2.026 9.648 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.740 -1.854 12.417 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.623 -2.539 10.713 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.719 -4.029 10.528 1.00 0.37 H new ATOM 1894 N SER A 187 0.654 -2.983 12.180 1.00 0.33 N ATOM 1895 CA SER A 187 1.825 -3.886 12.410 1.00 0.34 C ATOM 1896 C SER A 187 1.383 -5.147 13.162 1.00 0.35 C ATOM 1897 O SER A 187 2.132 -6.095 13.287 1.00 0.37 O ATOM 1898 CB SER A 187 2.882 -3.149 13.239 1.00 0.40 C ATOM 1899 OG SER A 187 2.243 -2.399 14.263 1.00 1.32 O ATOM 0 H SER A 187 0.822 -2.001 12.397 1.00 0.33 H new ATOM 0 HA SER A 187 2.243 -4.174 11.446 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.579 -3.863 13.678 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.465 -2.487 12.599 1.00 0.40 H new ATOM 0 HG SER A 187 2.919 -1.929 14.794 1.00 1.32 H new ATOM 1905 N ARG A 188 0.183 -5.171 13.673 1.00 0.40 N ATOM 1906 CA ARG A 188 -0.274 -6.377 14.419 1.00 0.46 C ATOM 1907 C ARG A 188 -0.302 -7.583 13.475 1.00 0.42 C ATOM 1908 O ARG A 188 -0.055 -8.701 13.880 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.682 -6.136 14.971 1.00 0.58 C ATOM 1910 CG ARG A 188 -1.714 -4.821 15.755 1.00 1.40 C ATOM 1911 CD ARG A 188 -3.130 -4.578 16.281 1.00 1.75 C ATOM 1912 NE ARG A 188 -3.579 -5.775 17.047 1.00 2.37 N ATOM 1913 CZ ARG A 188 -4.635 -5.708 17.811 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -5.295 -4.589 17.915 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -5.027 -6.759 18.473 1.00 3.87 N ATOM 0 H ARG A 188 -0.497 -4.413 13.607 1.00 0.40 H new ATOM 0 HA ARG A 188 0.413 -6.572 15.243 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -2.402 -6.100 14.153 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -1.975 -6.963 15.618 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -1.008 -4.862 16.584 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -1.405 -3.995 15.114 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -3.147 -3.695 16.920 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -3.811 -4.385 15.452 1.00 1.75 H new ATOM 0 HE ARG A 188 -3.059 -6.650 16.974 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -4.986 -3.765 17.399 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -6.120 -4.537 18.512 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -4.509 -7.634 18.394 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -5.852 -6.707 19.070 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.599 -7.367 12.223 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.637 -8.504 11.258 1.00 0.46 C ATOM 1931 C LEU A 189 0.766 -9.097 11.113 1.00 0.41 C ATOM 1932 O LEU A 189 0.953 -10.127 10.492 1.00 0.46 O ATOM 1933 CB LEU A 189 -1.121 -8.008 9.891 1.00 0.57 C ATOM 1934 CG LEU A 189 -2.632 -7.735 9.929 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -3.041 -7.025 8.633 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -3.423 -9.058 10.073 1.00 1.78 C ATOM 0 H LEU A 189 -0.817 -6.453 11.826 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.322 -9.267 11.629 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -0.587 -7.098 9.616 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -0.898 -8.752 9.126 1.00 0.57 H new ATOM 0 HG LEU A 189 -2.860 -7.105 10.789 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -4.113 -6.826 8.650 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.499 -6.083 8.547 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -2.803 -7.660 7.780 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -4.491 -8.842 10.098 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -3.204 -9.707 9.225 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -3.132 -9.557 10.997 1.00 1.78 H new ATOM 1948 N ALA A 190 1.754 -8.462 11.677 1.00 0.37 N ATOM 1949 CA ALA A 190 3.139 -8.997 11.560 1.00 0.42 C ATOM 1950 C ALA A 190 3.273 -10.235 12.444 1.00 0.44 C ATOM 1951 O ALA A 190 4.303 -10.878 12.473 1.00 0.53 O ATOM 1952 CB ALA A 190 4.139 -7.934 12.019 1.00 0.47 C ATOM 0 H ALA A 190 1.664 -7.598 12.212 1.00 0.37 H new ATOM 0 HA ALA A 190 3.343 -9.261 10.522 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.152 -8.326 11.933 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.039 -7.047 11.394 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.939 -7.671 13.058 1.00 0.47 H new ATOM 1958 N PHE A 191 2.236 -10.579 13.165 1.00 0.42 N ATOM 1959 CA PHE A 191 2.294 -11.784 14.053 1.00 0.51 C ATOM 1960 C PHE A 191 0.985 -12.571 13.944 1.00 0.56 C ATOM 1961 O PHE A 191 0.714 -13.448 14.741 1.00 0.96 O ATOM 1962 CB PHE A 191 2.503 -11.336 15.501 1.00 0.58 C ATOM 1963 CG PHE A 191 3.820 -10.601 15.617 1.00 1.14 C ATOM 1964 CD1 PHE A 191 5.007 -11.315 15.819 1.00 1.81 C ATOM 1965 CD2 PHE A 191 3.853 -9.204 15.516 1.00 1.98 C ATOM 1966 CE1 PHE A 191 6.226 -10.634 15.921 1.00 2.75 C ATOM 1967 CE2 PHE A 191 5.072 -8.523 15.617 1.00 2.87 C ATOM 1968 CZ PHE A 191 6.259 -9.237 15.820 1.00 3.15 C ATOM 0 H PHE A 191 1.348 -10.077 13.178 1.00 0.42 H new ATOM 0 HA PHE A 191 3.122 -12.422 13.744 1.00 0.51 H new ATOM 0 HB2 PHE A 191 1.684 -10.688 15.814 1.00 0.58 H new ATOM 0 HB3 PHE A 191 2.497 -12.201 16.165 1.00 0.58 H new ATOM 0 HD1 PHE A 191 4.982 -12.392 15.896 1.00 1.81 H new ATOM 0 HD2 PHE A 191 2.938 -8.652 15.360 1.00 1.98 H new ATOM 0 HE1 PHE A 191 7.141 -11.186 16.078 1.00 2.75 H new ATOM 0 HE2 PHE A 191 5.097 -7.446 15.538 1.00 2.87 H new ATOM 0 HZ PHE A 191 7.199 -8.711 15.899 1.00 3.15 H new ATOM 1978 N HIS A 192 0.172 -12.274 12.966 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.115 -13.017 12.814 1.00 0.72 C ATOM 1980 C HIS A 192 -1.570 -12.958 11.353 1.00 0.67 C ATOM 1981 O HIS A 192 -1.821 -11.898 10.814 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.187 -12.388 13.710 1.00 1.01 C ATOM 1983 CG HIS A 192 -3.334 -13.347 13.861 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -3.688 -14.237 12.859 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -4.210 -13.577 14.892 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -4.733 -14.957 13.304 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -5.092 -14.595 14.540 1.00 3.35 N ATOM 0 H HIS A 192 0.342 -11.551 12.267 1.00 0.64 H new ATOM 0 HA HIS A 192 -0.967 -14.056 13.108 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -1.767 -12.149 14.687 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -2.536 -11.451 13.276 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -4.215 -13.048 15.834 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -5.222 -15.732 12.733 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -5.849 -14.982 15.104 1.00 3.35 H new ATOM 1995 N HIS A 193 -1.671 -14.091 10.708 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.103 -14.117 9.276 1.00 0.85 C ATOM 1997 C HIS A 193 -3.597 -14.441 9.187 1.00 0.74 C ATOM 1998 O HIS A 193 -4.003 -15.583 9.279 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.299 -15.189 8.527 1.00 1.28 C ATOM 2000 CG HIS A 193 -1.142 -16.408 9.398 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -2.231 -17.129 9.867 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -0.031 -17.052 9.888 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -1.757 -18.152 10.603 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -0.422 -18.151 10.647 1.00 3.87 N ATOM 0 H HIS A 193 -1.472 -15.006 11.113 1.00 0.77 H new ATOM 0 HA HIS A 193 -1.925 -13.140 8.826 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -1.806 -15.456 7.600 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -0.319 -14.797 8.253 1.00 1.28 H new ATOM 0 HD1 HIS A 193 -3.213 -16.921 9.687 1.00 2.84 H new ATOM 0 HD2 HIS A 193 0.991 -16.751 9.711 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -2.380 -18.883 11.097 1.00 3.75 H new ATOM 2012 N MET A 194 -4.417 -13.444 8.996 1.00 0.73 N ATOM 2013 CA MET A 194 -5.880 -13.696 8.891 1.00 0.79 C ATOM 2014 C MET A 194 -6.207 -14.207 7.482 1.00 0.75 C ATOM 2015 O MET A 194 -7.112 -14.995 7.295 1.00 0.90 O ATOM 2016 CB MET A 194 -6.644 -12.394 9.156 1.00 0.91 C ATOM 2017 CG MET A 194 -6.658 -12.092 10.661 1.00 1.47 C ATOM 2018 SD MET A 194 -4.995 -11.623 11.203 1.00 2.35 S ATOM 2019 CE MET A 194 -5.474 -10.734 12.707 1.00 2.94 C ATOM 0 H MET A 194 -4.137 -12.467 8.908 1.00 0.73 H new ATOM 0 HA MET A 194 -6.176 -14.444 9.627 1.00 0.79 H new ATOM 0 HB2 MET A 194 -6.176 -11.571 8.616 1.00 0.91 H new ATOM 0 HB3 MET A 194 -7.665 -12.479 8.784 1.00 0.91 H new ATOM 0 HG2 MET A 194 -7.361 -11.287 10.874 1.00 1.47 H new ATOM 0 HG3 MET A 194 -6.998 -12.967 11.214 1.00 1.47 H new ATOM 0 HE1 MET A 194 -4.585 -10.324 13.186 1.00 2.94 H new ATOM 0 HE2 MET A 194 -6.154 -9.922 12.449 1.00 2.94 H new ATOM 0 HE3 MET A 194 -5.972 -11.420 13.392 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.480 -13.763 6.489 1.00 0.66 N ATOM 2030 CA ALA A 195 -5.755 -14.225 5.096 1.00 0.76 C ATOM 2031 C ALA A 195 -5.838 -15.749 5.073 1.00 0.90 C ATOM 2032 O ALA A 195 -6.523 -16.334 4.257 1.00 1.11 O ATOM 2033 CB ALA A 195 -4.617 -13.784 4.172 1.00 0.82 C ATOM 0 H ALA A 195 -4.709 -13.102 6.583 1.00 0.66 H new ATOM 0 HA ALA A 195 -6.697 -13.793 4.757 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -4.821 -14.123 3.156 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -4.540 -12.697 4.183 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -3.679 -14.218 4.518 1.00 0.82 H new