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 102 HIS : no HD1:sc= -3.91 K(o=-4,f=-6.3!) USER MOD Set 1.2: A 107 GLN : amide:sc= -0.118 X(o=-4,f=-3.9) USER MOD Set 2.1: A 88 SER OG : rot 180:sc= -2.54! USER MOD Set 2.2: A 89 HIS : no HE2:sc= -1.33! C(o=-3.9!,f=-16!) USER MOD Single : A 79 MET CE :methyl -162:sc= -1.01 (180deg=-1.43) USER MOD Single : A 80 THR OG1 : rot 180:sc= -1.28! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -158:sc= -0.116 (180deg=-0.772) USER MOD Single : A 103 SER OG : rot 180:sc= -0.0118 USER MOD Single : A 104 GLN :FLIP amide:sc= -2.83! C(o=-3.3!,f=-2.8!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.071 X(o=-0.071,f=-0.17) USER MOD Single : A 117 THR OG1 : rot -95:sc= 1.18 USER MOD Single : A 118 GLN : amide:sc= -3.54! C(o=-3.5!,f=-3.9!) USER MOD Single : A 120 TYR OH : rot 180:sc= -0.0637 USER MOD Single : A 125 GLN : amide:sc= -1.73 X(o=-1.7,f=-1.4) USER MOD Single : A 126 ASN : amide:sc= -1.37 X(o=-1.4,f=-1.4) USER MOD Single : A 127 TYR OH : rot 180:sc= -0.0496 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -126:sc= 1.32 USER MOD Single : A 142 CYS SG : rot 45:sc= -0.288 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ -105:sc= -3.12 (180deg=-6.24!) USER MOD Single : A 187 SER OG : rot -81:sc= 1.61 USER MOD Single : A 192 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 193 HIS : no HD1:sc= -1.72! C(o=-1.7!,f=-7.8!) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 18.835 -0.429 -8.288 1.00 1.04 N ATOM 275 CA VAL A 74 19.913 -1.014 -7.436 1.00 0.93 C ATOM 276 C VAL A 74 19.844 -2.541 -7.561 1.00 0.86 C ATOM 277 O VAL A 74 18.793 -3.081 -7.843 1.00 0.89 O ATOM 278 CB VAL A 74 19.666 -0.600 -5.976 1.00 1.09 C ATOM 279 CG1 VAL A 74 19.694 0.927 -5.853 1.00 1.17 C ATOM 280 CG2 VAL A 74 18.298 -1.125 -5.526 1.00 1.38 C ATOM 0 HA VAL A 74 20.895 -0.660 -7.751 1.00 0.93 H new ATOM 0 HB VAL A 74 20.448 -1.022 -5.345 1.00 1.09 H new ATOM 0 HG11 VAL A 74 19.518 1.212 -4.816 1.00 1.17 H new ATOM 0 HG12 VAL A 74 20.667 1.300 -6.172 1.00 1.17 H new ATOM 0 HG13 VAL A 74 18.916 1.357 -6.484 1.00 1.17 H new ATOM 0 HG21 VAL A 74 18.119 -0.834 -4.491 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.519 -0.703 -6.162 1.00 1.38 H new ATOM 0 HG23 VAL A 74 18.282 -2.212 -5.605 1.00 1.38 H new ATOM 290 N PRO A 75 20.942 -3.243 -7.361 1.00 0.93 N ATOM 291 CA PRO A 75 20.969 -4.730 -7.462 1.00 1.00 C ATOM 292 C PRO A 75 19.652 -5.357 -6.995 1.00 0.88 C ATOM 293 O PRO A 75 19.246 -5.211 -5.859 1.00 0.84 O ATOM 294 CB PRO A 75 22.127 -5.103 -6.543 1.00 1.18 C ATOM 295 CG PRO A 75 23.108 -3.980 -6.710 1.00 1.37 C ATOM 296 CD PRO A 75 22.282 -2.716 -7.026 1.00 1.13 C ATOM 0 HA PRO A 75 21.093 -5.090 -8.483 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.800 -5.195 -5.507 1.00 1.18 H new ATOM 0 HB3 PRO A 75 22.566 -6.060 -6.824 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.696 -3.842 -5.803 1.00 1.37 H new ATOM 0 HG3 PRO A 75 23.810 -4.195 -7.516 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.244 -2.040 -6.172 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.711 -2.156 -7.857 1.00 1.13 H new ATOM 304 N LEU A 76 18.968 -6.027 -7.882 1.00 0.86 N ATOM 305 CA LEU A 76 17.656 -6.634 -7.519 1.00 0.77 C ATOM 306 C LEU A 76 17.831 -7.693 -6.431 1.00 0.77 C ATOM 307 O LEU A 76 18.150 -8.833 -6.702 1.00 0.85 O ATOM 308 CB LEU A 76 17.036 -7.290 -8.756 1.00 0.84 C ATOM 309 CG LEU A 76 16.691 -6.221 -9.804 1.00 0.87 C ATOM 310 CD1 LEU A 76 16.222 -6.916 -11.087 1.00 1.01 C ATOM 311 CD2 LEU A 76 15.575 -5.291 -9.279 1.00 0.76 C ATOM 0 H LEU A 76 19.263 -6.181 -8.846 1.00 0.86 H new ATOM 0 HA LEU A 76 17.004 -5.845 -7.144 1.00 0.77 H new ATOM 0 HB2 LEU A 76 17.731 -8.015 -9.180 1.00 0.84 H new ATOM 0 HB3 LEU A 76 16.137 -7.838 -8.474 1.00 0.84 H new ATOM 0 HG LEU A 76 17.576 -5.618 -10.008 1.00 0.87 H new ATOM 0 HD11 LEU A 76 15.974 -6.165 -11.838 1.00 1.01 H new ATOM 0 HD12 LEU A 76 17.018 -7.558 -11.465 1.00 1.01 H new ATOM 0 HD13 LEU A 76 15.340 -7.519 -10.872 1.00 1.01 H new ATOM 0 HD21 LEU A 76 15.343 -4.540 -10.034 1.00 0.76 H new ATOM 0 HD22 LEU A 76 14.682 -5.879 -9.065 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.912 -4.798 -8.367 1.00 0.76 H new ATOM 323 N ARG A 77 17.591 -7.331 -5.200 1.00 0.74 N ATOM 324 CA ARG A 77 17.703 -8.322 -4.092 1.00 0.79 C ATOM 325 C ARG A 77 16.380 -9.107 -4.040 1.00 0.71 C ATOM 326 O ARG A 77 15.483 -8.844 -4.816 1.00 0.73 O ATOM 327 CB ARG A 77 17.963 -7.584 -2.758 1.00 0.85 C ATOM 328 CG ARG A 77 18.614 -6.226 -3.036 1.00 1.19 C ATOM 329 CD ARG A 77 19.052 -5.588 -1.716 1.00 1.52 C ATOM 330 NE ARG A 77 20.233 -6.318 -1.176 1.00 2.13 N ATOM 331 CZ ARG A 77 20.961 -5.778 -0.239 1.00 2.66 C ATOM 332 NH1 ARG A 77 20.661 -4.592 0.218 1.00 2.73 N ATOM 333 NH2 ARG A 77 21.991 -6.420 0.239 1.00 3.61 N ATOM 0 H ARG A 77 17.322 -6.390 -4.913 1.00 0.74 H new ATOM 0 HA ARG A 77 18.534 -9.007 -4.258 1.00 0.79 H new ATOM 0 HB2 ARG A 77 17.025 -7.445 -2.220 1.00 0.85 H new ATOM 0 HB3 ARG A 77 18.611 -8.185 -2.120 1.00 0.85 H new ATOM 0 HG2 ARG A 77 19.474 -6.351 -3.694 1.00 1.19 H new ATOM 0 HG3 ARG A 77 17.910 -5.573 -3.552 1.00 1.19 H new ATOM 0 HD2 ARG A 77 19.301 -4.538 -1.873 1.00 1.52 H new ATOM 0 HD3 ARG A 77 18.233 -5.618 -0.997 1.00 1.52 H new ATOM 0 HE ARG A 77 20.472 -7.241 -1.539 1.00 2.13 H new ATOM 0 HH11 ARG A 77 19.857 -4.089 -0.158 1.00 2.73 H new ATOM 0 HH12 ARG A 77 21.230 -4.169 0.951 1.00 2.73 H new ATOM 0 HH21 ARG A 77 22.227 -7.345 -0.120 1.00 3.61 H new ATOM 0 HH22 ARG A 77 22.560 -5.997 0.972 1.00 3.61 H new ATOM 347 N PRO A 78 16.244 -10.056 -3.149 1.00 0.79 N ATOM 348 CA PRO A 78 15.004 -10.862 -3.028 1.00 0.76 C ATOM 349 C PRO A 78 14.026 -10.279 -1.995 1.00 0.67 C ATOM 350 O PRO A 78 14.381 -10.049 -0.857 1.00 0.69 O ATOM 351 CB PRO A 78 15.545 -12.214 -2.566 1.00 0.86 C ATOM 352 CG PRO A 78 16.744 -11.883 -1.715 1.00 1.18 C ATOM 353 CD PRO A 78 17.240 -10.485 -2.155 1.00 1.06 C ATOM 0 HA PRO A 78 14.430 -10.901 -3.954 1.00 0.76 H new ATOM 0 HB2 PRO A 78 14.797 -12.765 -1.996 1.00 0.86 H new ATOM 0 HB3 PRO A 78 15.823 -12.839 -3.415 1.00 0.86 H new ATOM 0 HG2 PRO A 78 16.478 -11.883 -0.658 1.00 1.18 H new ATOM 0 HG3 PRO A 78 17.528 -12.629 -1.846 1.00 1.18 H new ATOM 0 HD2 PRO A 78 17.288 -9.794 -1.313 1.00 1.06 H new ATOM 0 HD3 PRO A 78 18.240 -10.533 -2.586 1.00 1.06 H new ATOM 361 N MET A 79 12.798 -10.049 -2.381 1.00 0.65 N ATOM 362 CA MET A 79 11.808 -9.494 -1.413 1.00 0.61 C ATOM 363 C MET A 79 11.560 -10.532 -0.316 1.00 0.51 C ATOM 364 O MET A 79 10.878 -11.516 -0.522 1.00 0.56 O ATOM 365 CB MET A 79 10.494 -9.176 -2.140 1.00 0.66 C ATOM 366 CG MET A 79 9.525 -8.476 -1.181 1.00 0.74 C ATOM 367 SD MET A 79 10.166 -6.830 -0.767 1.00 1.25 S ATOM 368 CE MET A 79 9.056 -5.859 -1.820 1.00 0.83 C ATOM 0 H MET A 79 12.440 -10.221 -3.320 1.00 0.65 H new ATOM 0 HA MET A 79 12.194 -8.576 -0.971 1.00 0.61 H new ATOM 0 HB2 MET A 79 10.690 -8.539 -3.002 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.046 -10.095 -2.518 1.00 0.66 H new ATOM 0 HG2 MET A 79 8.541 -8.389 -1.641 1.00 0.74 H new ATOM 0 HG3 MET A 79 9.402 -9.069 -0.274 1.00 0.74 H new ATOM 0 HE1 MET A 79 9.473 -4.863 -1.967 1.00 0.83 H new ATOM 0 HE2 MET A 79 8.947 -6.352 -2.786 1.00 0.83 H new ATOM 0 HE3 MET A 79 8.080 -5.777 -1.342 1.00 0.83 H new ATOM 378 N THR A 80 12.128 -10.329 0.844 1.00 0.56 N ATOM 379 CA THR A 80 11.948 -11.313 1.953 1.00 0.60 C ATOM 380 C THR A 80 10.684 -11.011 2.739 1.00 0.56 C ATOM 381 O THR A 80 10.285 -9.876 2.883 1.00 0.50 O ATOM 382 CB THR A 80 13.158 -11.250 2.892 1.00 0.77 C ATOM 383 OG1 THR A 80 13.017 -10.152 3.781 1.00 0.94 O ATOM 384 CG2 THR A 80 14.435 -11.081 2.067 1.00 0.73 C ATOM 0 H THR A 80 12.710 -9.523 1.072 1.00 0.56 H new ATOM 0 HA THR A 80 11.862 -12.311 1.523 1.00 0.60 H new ATOM 0 HB THR A 80 13.217 -12.173 3.468 1.00 0.77 H new ATOM 0 HG1 THR A 80 13.791 -10.115 4.381 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.296 -11.036 2.734 1.00 0.73 H new ATOM 0 HG22 THR A 80 14.545 -11.927 1.389 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.375 -10.159 1.489 1.00 0.73 H new ATOM 392 N TYR A 81 10.056 -12.027 3.284 1.00 0.61 N ATOM 393 CA TYR A 81 8.838 -11.782 4.101 1.00 0.60 C ATOM 394 C TYR A 81 9.241 -10.727 5.127 1.00 0.51 C ATOM 395 O TYR A 81 8.556 -9.752 5.361 1.00 0.45 O ATOM 396 CB TYR A 81 8.393 -13.116 4.766 1.00 0.69 C ATOM 397 CG TYR A 81 8.405 -13.027 6.284 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.441 -12.256 6.946 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.379 -13.714 7.021 1.00 0.71 C ATOM 400 CE1 TYR A 81 7.453 -12.171 8.344 1.00 0.66 C ATOM 401 CE2 TYR A 81 9.389 -13.628 8.418 1.00 0.77 C ATOM 402 CZ TYR A 81 8.426 -12.857 9.079 1.00 0.73 C ATOM 403 OH TYR A 81 8.438 -12.773 10.456 1.00 0.90 O ATOM 0 H TYR A 81 10.336 -13.004 3.196 1.00 0.61 H new ATOM 0 HA TYR A 81 7.989 -11.430 3.515 1.00 0.60 H new ATOM 0 HB2 TYR A 81 7.390 -13.374 4.426 1.00 0.69 H new ATOM 0 HB3 TYR A 81 9.055 -13.920 4.445 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.689 -11.727 6.379 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.122 -14.310 6.511 1.00 0.71 H new ATOM 0 HE1 TYR A 81 6.711 -11.576 8.855 1.00 0.66 H new ATOM 0 HE2 TYR A 81 10.140 -14.157 8.986 1.00 0.77 H new ATOM 0 HH TYR A 81 9.178 -13.310 10.810 1.00 0.90 H new ATOM 413 N LYS A 82 10.398 -10.915 5.695 1.00 0.52 N ATOM 414 CA LYS A 82 10.926 -9.931 6.661 1.00 0.48 C ATOM 415 C LYS A 82 11.086 -8.594 5.936 1.00 0.40 C ATOM 416 O LYS A 82 11.006 -7.542 6.539 1.00 0.38 O ATOM 417 CB LYS A 82 12.285 -10.407 7.183 1.00 0.55 C ATOM 418 CG LYS A 82 12.644 -9.650 8.465 1.00 0.60 C ATOM 419 CD LYS A 82 14.051 -10.049 8.918 1.00 0.92 C ATOM 420 CE LYS A 82 14.269 -9.611 10.369 1.00 1.49 C ATOM 421 NZ LYS A 82 15.592 -10.109 10.844 1.00 2.32 N ATOM 0 H LYS A 82 11.002 -11.719 5.525 1.00 0.52 H new ATOM 0 HA LYS A 82 10.246 -9.821 7.506 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.254 -11.479 7.379 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.053 -10.244 6.427 1.00 0.55 H new ATOM 0 HG2 LYS A 82 12.598 -8.575 8.290 1.00 0.60 H new ATOM 0 HG3 LYS A 82 11.921 -9.877 9.248 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.180 -11.128 8.830 1.00 0.92 H new ATOM 0 HD3 LYS A 82 14.797 -9.586 8.272 1.00 0.92 H new ATOM 0 HE2 LYS A 82 14.230 -8.524 10.442 1.00 1.49 H new ATOM 0 HE3 LYS A 82 13.472 -10.002 11.002 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 15.741 -9.812 11.829 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 15.612 -11.147 10.788 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 16.346 -9.715 10.246 1.00 2.32 H new ATOM 435 N ALA A 83 11.314 -8.617 4.637 1.00 0.42 N ATOM 436 CA ALA A 83 11.476 -7.321 3.910 1.00 0.41 C ATOM 437 C ALA A 83 10.175 -6.514 4.003 1.00 0.35 C ATOM 438 O ALA A 83 10.194 -5.314 4.195 1.00 0.34 O ATOM 439 CB ALA A 83 11.810 -7.576 2.436 1.00 0.52 C ATOM 0 H ALA A 83 11.392 -9.458 4.066 1.00 0.42 H new ATOM 0 HA ALA A 83 12.291 -6.761 4.368 1.00 0.41 H new ATOM 0 HB1 ALA A 83 11.925 -6.623 1.919 1.00 0.52 H new ATOM 0 HB2 ALA A 83 12.739 -8.141 2.366 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.003 -8.145 1.973 1.00 0.52 H new ATOM 445 N ALA A 84 9.050 -7.159 3.866 1.00 0.34 N ATOM 446 CA ALA A 84 7.755 -6.422 3.944 1.00 0.31 C ATOM 447 C ALA A 84 7.598 -5.799 5.334 1.00 0.28 C ATOM 448 O ALA A 84 7.261 -4.641 5.469 1.00 0.28 O ATOM 449 CB ALA A 84 6.598 -7.390 3.687 1.00 0.34 C ATOM 0 H ALA A 84 8.970 -8.163 3.704 1.00 0.34 H new ATOM 0 HA ALA A 84 7.745 -5.634 3.191 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.653 -6.850 3.744 1.00 0.34 H new ATOM 0 HB2 ALA A 84 6.705 -7.830 2.696 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.611 -8.180 4.438 1.00 0.34 H new ATOM 455 N VAL A 85 7.836 -6.560 6.367 1.00 0.29 N ATOM 456 CA VAL A 85 7.694 -6.007 7.744 1.00 0.29 C ATOM 457 C VAL A 85 8.713 -4.891 7.951 1.00 0.29 C ATOM 458 O VAL A 85 8.383 -3.815 8.411 1.00 0.30 O ATOM 459 CB VAL A 85 7.930 -7.123 8.770 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.329 -6.719 10.120 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.260 -8.407 8.280 1.00 0.38 C ATOM 0 H VAL A 85 8.122 -7.538 6.318 1.00 0.29 H new ATOM 0 HA VAL A 85 6.689 -5.605 7.875 1.00 0.29 H new ATOM 0 HB VAL A 85 9.001 -7.288 8.888 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.498 -7.514 10.846 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.803 -5.801 10.469 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.258 -6.554 10.006 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.425 -9.203 9.006 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.190 -8.237 8.164 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.687 -8.697 7.320 1.00 0.38 H new ATOM 471 N ASP A 86 9.947 -5.126 7.605 1.00 0.30 N ATOM 472 CA ASP A 86 10.967 -4.062 7.775 1.00 0.32 C ATOM 473 C ASP A 86 10.531 -2.858 6.945 1.00 0.30 C ATOM 474 O ASP A 86 10.545 -1.733 7.403 1.00 0.31 O ATOM 475 CB ASP A 86 12.323 -4.571 7.280 1.00 0.36 C ATOM 476 CG ASP A 86 12.932 -5.506 8.326 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.197 -5.948 9.195 1.00 1.05 O ATOM 478 OD2 ASP A 86 14.120 -5.765 8.241 1.00 1.23 O ATOM 0 H ASP A 86 10.290 -6.004 7.214 1.00 0.30 H new ATOM 0 HA ASP A 86 11.060 -3.783 8.825 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.202 -5.097 6.333 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.992 -3.731 7.094 1.00 0.36 H new ATOM 483 N LEU A 87 10.123 -3.097 5.731 1.00 0.29 N ATOM 484 CA LEU A 87 9.660 -1.983 4.863 1.00 0.30 C ATOM 485 C LEU A 87 8.421 -1.341 5.490 1.00 0.29 C ATOM 486 O LEU A 87 8.267 -0.134 5.484 1.00 0.30 O ATOM 487 CB LEU A 87 9.308 -2.537 3.479 1.00 0.33 C ATOM 488 CG LEU A 87 8.948 -1.393 2.517 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.186 -0.528 2.220 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.412 -1.992 1.211 1.00 0.44 C ATOM 0 H LEU A 87 10.091 -4.022 5.301 1.00 0.29 H new ATOM 0 HA LEU A 87 10.447 -1.235 4.765 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.151 -3.102 3.082 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.470 -3.229 3.560 1.00 0.33 H new ATOM 0 HG LEU A 87 8.189 -0.762 2.979 1.00 0.42 H new ATOM 0 HD11 LEU A 87 9.912 0.277 1.538 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.564 -0.103 3.150 1.00 0.52 H new ATOM 0 HD13 LEU A 87 10.959 -1.145 1.762 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.154 -1.188 0.521 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.176 -2.625 0.760 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.525 -2.589 1.422 1.00 0.44 H new ATOM 502 N SER A 88 7.530 -2.134 6.024 1.00 0.30 N ATOM 503 CA SER A 88 6.302 -1.560 6.640 1.00 0.34 C ATOM 504 C SER A 88 6.688 -0.483 7.654 1.00 0.33 C ATOM 505 O SER A 88 6.208 0.633 7.603 1.00 0.36 O ATOM 506 CB SER A 88 5.517 -2.667 7.345 1.00 0.40 C ATOM 507 OG SER A 88 6.065 -2.879 8.640 1.00 0.44 O ATOM 0 H SER A 88 7.601 -3.151 6.059 1.00 0.30 H new ATOM 0 HA SER A 88 5.683 -1.116 5.860 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.466 -2.390 7.423 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.562 -3.588 6.763 1.00 0.40 H new ATOM 0 HG SER A 88 5.564 -3.587 9.095 1.00 0.44 H new ATOM 513 N HIS A 89 7.547 -0.807 8.581 1.00 0.34 N ATOM 514 CA HIS A 89 7.955 0.199 9.601 1.00 0.36 C ATOM 515 C HIS A 89 8.866 1.246 8.965 1.00 0.36 C ATOM 516 O HIS A 89 8.913 2.380 9.395 1.00 0.41 O ATOM 517 CB HIS A 89 8.694 -0.500 10.743 1.00 0.41 C ATOM 518 CG HIS A 89 7.761 -1.462 11.427 1.00 0.52 C ATOM 519 ND1 HIS A 89 7.251 -2.580 10.785 1.00 1.43 N ATOM 520 CD2 HIS A 89 7.235 -1.485 12.694 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.456 -3.222 11.660 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.411 -2.596 12.840 1.00 0.82 N ATOM 0 H HIS A 89 7.983 -1.724 8.676 1.00 0.34 H new ATOM 0 HA HIS A 89 7.065 0.692 9.992 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.563 -1.032 10.357 1.00 0.41 H new ATOM 0 HB3 HIS A 89 9.062 0.236 11.457 1.00 0.41 H new ATOM 0 HD1 HIS A 89 7.443 -2.864 9.824 1.00 1.43 H new ATOM 0 HD2 HIS A 89 7.431 -0.751 13.462 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.920 -4.132 11.436 1.00 1.27 H new ATOM 530 N PHE A 90 9.589 0.892 7.941 1.00 0.34 N ATOM 531 CA PHE A 90 10.474 1.897 7.301 1.00 0.37 C ATOM 532 C PHE A 90 9.608 3.054 6.799 1.00 0.40 C ATOM 533 O PHE A 90 9.780 4.191 7.190 1.00 0.47 O ATOM 534 CB PHE A 90 11.214 1.257 6.123 1.00 0.38 C ATOM 535 CG PHE A 90 12.371 2.138 5.713 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.571 2.093 6.431 1.00 0.57 C ATOM 537 CD2 PHE A 90 12.242 3.000 4.617 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.644 2.910 6.054 1.00 0.69 C ATOM 539 CE2 PHE A 90 13.315 3.817 4.239 1.00 0.70 C ATOM 540 CZ PHE A 90 14.515 3.772 4.958 1.00 0.72 C ATOM 0 H PHE A 90 9.605 -0.039 7.525 1.00 0.34 H new ATOM 0 HA PHE A 90 11.207 2.263 8.020 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.578 0.268 6.403 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.533 1.120 5.283 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.670 1.428 7.276 1.00 0.57 H new ATOM 0 HD2 PHE A 90 11.315 3.035 4.063 1.00 0.59 H new ATOM 0 HE1 PHE A 90 15.570 2.875 6.608 1.00 0.69 H new ATOM 0 HE2 PHE A 90 13.216 4.481 3.393 1.00 0.70 H new ATOM 0 HZ PHE A 90 15.342 4.403 4.667 1.00 0.72 H new ATOM 550 N LEU A 91 8.677 2.762 5.935 1.00 0.37 N ATOM 551 CA LEU A 91 7.785 3.826 5.394 1.00 0.42 C ATOM 552 C LEU A 91 6.937 4.442 6.515 1.00 0.47 C ATOM 553 O LEU A 91 6.379 5.509 6.357 1.00 0.57 O ATOM 554 CB LEU A 91 6.862 3.219 4.333 1.00 0.41 C ATOM 555 CG LEU A 91 7.677 2.832 3.087 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.852 1.875 2.222 1.00 0.42 C ATOM 557 CD2 LEU A 91 8.035 4.083 2.261 1.00 0.54 C ATOM 0 H LEU A 91 8.494 1.824 5.577 1.00 0.37 H new ATOM 0 HA LEU A 91 8.400 4.609 4.951 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.359 2.340 4.736 1.00 0.41 H new ATOM 0 HB3 LEU A 91 6.085 3.934 4.062 1.00 0.41 H new ATOM 0 HG LEU A 91 8.600 2.348 3.408 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.426 1.598 1.338 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.614 0.979 2.796 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.928 2.366 1.916 1.00 0.42 H new ATOM 0 HD21 LEU A 91 8.611 3.787 1.384 1.00 0.54 H new ATOM 0 HD22 LEU A 91 7.120 4.583 1.942 1.00 0.54 H new ATOM 0 HD23 LEU A 91 8.627 4.765 2.871 1.00 0.54 H new ATOM 569 N LYS A 92 6.819 3.790 7.642 1.00 0.45 N ATOM 570 CA LYS A 92 5.987 4.369 8.737 1.00 0.53 C ATOM 571 C LYS A 92 6.571 5.719 9.172 1.00 0.63 C ATOM 572 O LYS A 92 5.877 6.553 9.720 1.00 0.85 O ATOM 573 CB LYS A 92 5.964 3.408 9.931 1.00 0.54 C ATOM 574 CG LYS A 92 5.070 3.972 11.042 1.00 0.73 C ATOM 575 CD LYS A 92 5.081 3.017 12.237 1.00 1.20 C ATOM 576 CE LYS A 92 4.510 3.728 13.466 1.00 1.61 C ATOM 577 NZ LYS A 92 4.535 2.798 14.630 1.00 2.27 N ATOM 0 H LYS A 92 7.257 2.893 7.850 1.00 0.45 H new ATOM 0 HA LYS A 92 4.970 4.518 8.375 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.594 2.432 9.616 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.976 3.259 10.308 1.00 0.54 H new ATOM 0 HG2 LYS A 92 5.426 4.956 11.346 1.00 0.73 H new ATOM 0 HG3 LYS A 92 4.052 4.101 10.675 1.00 0.73 H new ATOM 0 HD2 LYS A 92 4.491 2.129 12.011 1.00 1.20 H new ATOM 0 HD3 LYS A 92 6.098 2.681 12.438 1.00 1.20 H new ATOM 0 HE2 LYS A 92 5.094 4.621 13.687 1.00 1.61 H new ATOM 0 HE3 LYS A 92 3.489 4.055 13.269 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 4.147 3.279 15.467 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 3.960 1.958 14.416 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 5.515 2.507 14.821 1.00 2.27 H new ATOM 591 N GLU A 93 7.833 5.949 8.937 1.00 0.62 N ATOM 592 CA GLU A 93 8.433 7.244 9.347 1.00 0.76 C ATOM 593 C GLU A 93 7.915 8.357 8.440 1.00 0.77 C ATOM 594 O GLU A 93 6.972 9.053 8.760 1.00 1.05 O ATOM 595 CB GLU A 93 9.956 7.163 9.230 1.00 0.94 C ATOM 596 CG GLU A 93 10.506 6.251 10.331 1.00 1.22 C ATOM 597 CD GLU A 93 12.004 6.028 10.107 1.00 2.00 C ATOM 598 OE1 GLU A 93 12.386 5.801 8.971 1.00 2.73 O ATOM 599 OE2 GLU A 93 12.744 6.090 11.077 1.00 2.54 O ATOM 0 H GLU A 93 8.471 5.297 8.480 1.00 0.62 H new ATOM 0 HA GLU A 93 8.158 7.458 10.380 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.236 6.777 8.250 1.00 0.94 H new ATOM 0 HB3 GLU A 93 10.391 8.159 9.317 1.00 0.94 H new ATOM 0 HG2 GLU A 93 10.337 6.701 11.309 1.00 1.22 H new ATOM 0 HG3 GLU A 93 9.980 5.296 10.324 1.00 1.22 H new ATOM 606 N LYS A 94 8.537 8.530 7.310 1.00 0.80 N ATOM 607 CA LYS A 94 8.104 9.602 6.365 1.00 1.02 C ATOM 608 C LYS A 94 6.933 9.113 5.509 1.00 0.96 C ATOM 609 O LYS A 94 6.061 9.875 5.138 1.00 1.41 O ATOM 610 CB LYS A 94 9.275 9.978 5.455 1.00 1.39 C ATOM 611 CG LYS A 94 10.405 10.568 6.300 1.00 1.63 C ATOM 612 CD LYS A 94 11.621 10.841 5.411 1.00 2.18 C ATOM 613 CE LYS A 94 12.817 11.215 6.288 1.00 2.61 C ATOM 614 NZ LYS A 94 12.379 12.172 7.343 1.00 2.96 N ATOM 0 H LYS A 94 9.332 7.973 6.995 1.00 0.80 H new ATOM 0 HA LYS A 94 7.785 10.472 6.938 1.00 1.02 H new ATOM 0 HB2 LYS A 94 9.629 9.099 4.917 1.00 1.39 H new ATOM 0 HB3 LYS A 94 8.951 10.700 4.706 1.00 1.39 H new ATOM 0 HG2 LYS A 94 10.074 11.492 6.775 1.00 1.63 H new ATOM 0 HG3 LYS A 94 10.674 9.878 7.099 1.00 1.63 H new ATOM 0 HD2 LYS A 94 11.855 9.959 4.815 1.00 2.18 H new ATOM 0 HD3 LYS A 94 11.401 11.649 4.713 1.00 2.18 H new ATOM 0 HE2 LYS A 94 13.240 10.321 6.746 1.00 2.61 H new ATOM 0 HE3 LYS A 94 13.602 11.663 5.679 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 13.201 12.706 7.691 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 11.681 12.832 6.945 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 11.949 11.647 8.131 1.00 2.96 H new ATOM 628 N GLY A 95 6.916 7.853 5.177 1.00 1.12 N ATOM 629 CA GLY A 95 5.816 7.315 4.327 1.00 1.51 C ATOM 630 C GLY A 95 4.461 7.519 5.013 1.00 1.10 C ATOM 631 O GLY A 95 3.936 6.622 5.641 1.00 1.71 O ATOM 0 H GLY A 95 7.619 7.169 5.458 1.00 1.12 H new ATOM 0 HA2 GLY A 95 5.819 7.815 3.358 1.00 1.51 H new ATOM 0 HA3 GLY A 95 5.979 6.254 4.139 1.00 1.51 H new ATOM 635 N GLY A 96 3.879 8.684 4.888 1.00 1.17 N ATOM 636 CA GLY A 96 2.552 8.921 5.524 1.00 0.99 C ATOM 637 C GLY A 96 1.468 8.251 4.676 1.00 0.81 C ATOM 638 O GLY A 96 0.505 8.873 4.274 1.00 0.83 O ATOM 0 H GLY A 96 4.264 9.477 4.375 1.00 1.17 H new ATOM 0 HA2 GLY A 96 2.542 8.517 6.536 1.00 0.99 H new ATOM 0 HA3 GLY A 96 2.359 9.991 5.606 1.00 0.99 H new ATOM 642 N LEU A 97 1.627 6.987 4.394 1.00 0.67 N ATOM 643 CA LEU A 97 0.619 6.268 3.564 1.00 0.55 C ATOM 644 C LEU A 97 -0.568 5.856 4.438 1.00 0.46 C ATOM 645 O LEU A 97 -1.683 5.731 3.972 1.00 0.49 O ATOM 646 CB LEU A 97 1.270 5.016 2.964 1.00 0.54 C ATOM 647 CG LEU A 97 0.315 4.342 1.968 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.126 5.226 0.720 1.00 0.65 C ATOM 649 CD2 LEU A 97 0.901 2.985 1.560 1.00 0.66 C ATOM 0 H LEU A 97 2.415 6.419 4.704 1.00 0.67 H new ATOM 0 HA LEU A 97 0.267 6.922 2.766 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.199 5.286 2.461 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.530 4.317 3.759 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.658 4.201 2.440 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.554 4.733 0.025 1.00 0.65 H new ATOM 0 HD12 LEU A 97 -0.292 6.188 1.016 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.090 5.383 0.236 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.231 2.497 0.852 1.00 0.66 H new ATOM 0 HD22 LEU A 97 1.875 3.135 1.093 1.00 0.66 H new ATOM 0 HD23 LEU A 97 1.015 2.357 2.444 1.00 0.66 H new ATOM 661 N GLU A 98 -0.336 5.639 5.701 1.00 0.44 N ATOM 662 CA GLU A 98 -1.446 5.231 6.605 1.00 0.40 C ATOM 663 C GLU A 98 -2.603 6.225 6.497 1.00 0.40 C ATOM 664 O GLU A 98 -2.413 7.409 6.301 1.00 0.58 O ATOM 665 CB GLU A 98 -0.930 5.183 8.050 1.00 0.49 C ATOM 666 CG GLU A 98 -2.100 5.027 9.040 1.00 0.48 C ATOM 667 CD GLU A 98 -2.744 6.388 9.336 1.00 1.26 C ATOM 668 OE1 GLU A 98 -2.090 7.398 9.129 1.00 1.94 O ATOM 669 OE2 GLU A 98 -3.886 6.397 9.766 1.00 2.03 O ATOM 0 H GLU A 98 0.577 5.727 6.148 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.805 4.244 6.314 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.235 4.351 8.166 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.376 6.095 8.274 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.846 4.348 8.626 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -1.742 4.579 9.967 1.00 0.48 H new ATOM 676 N GLY A 99 -3.800 5.740 6.652 1.00 0.39 N ATOM 677 CA GLY A 99 -4.998 6.626 6.594 1.00 0.42 C ATOM 678 C GLY A 99 -5.040 7.417 5.280 1.00 0.42 C ATOM 679 O GLY A 99 -5.950 8.190 5.051 1.00 0.46 O ATOM 0 H GLY A 99 -4.005 4.755 6.819 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.903 6.025 6.689 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.984 7.317 7.437 1.00 0.42 H new ATOM 683 N LEU A 100 -4.083 7.237 4.411 1.00 0.41 N ATOM 684 CA LEU A 100 -4.113 7.994 3.123 1.00 0.43 C ATOM 685 C LEU A 100 -5.185 7.382 2.216 1.00 0.42 C ATOM 686 O LEU A 100 -5.106 6.229 1.841 1.00 0.44 O ATOM 687 CB LEU A 100 -2.735 7.918 2.439 1.00 0.45 C ATOM 688 CG LEU A 100 -2.544 9.115 1.482 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.996 10.324 2.253 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.549 8.741 0.376 1.00 1.17 C ATOM 0 H LEU A 100 -3.290 6.607 4.532 1.00 0.41 H new ATOM 0 HA LEU A 100 -4.348 9.041 3.314 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.947 7.917 3.192 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.648 6.983 1.885 1.00 0.45 H new ATOM 0 HG LEU A 100 -3.509 9.368 1.043 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.865 11.163 1.569 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.698 10.603 3.039 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -1.036 10.066 2.699 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -1.417 9.588 -0.297 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.590 8.480 0.823 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.932 7.889 -0.185 1.00 1.17 H new ATOM 702 N ILE A 101 -6.198 8.135 1.875 1.00 0.44 N ATOM 703 CA ILE A 101 -7.274 7.573 1.013 1.00 0.45 C ATOM 704 C ILE A 101 -6.699 7.144 -0.345 1.00 0.46 C ATOM 705 O ILE A 101 -6.417 7.955 -1.207 1.00 0.49 O ATOM 706 CB ILE A 101 -8.415 8.603 0.860 1.00 0.50 C ATOM 707 CG1 ILE A 101 -9.326 8.554 2.111 1.00 0.51 C ATOM 708 CG2 ILE A 101 -9.248 8.313 -0.392 1.00 0.54 C ATOM 709 CD1 ILE A 101 -10.320 7.368 2.045 1.00 0.52 C ATOM 0 H ILE A 101 -6.325 9.108 2.155 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.691 6.683 1.484 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.975 9.595 0.760 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.711 8.465 3.007 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.879 9.489 2.196 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -10.045 9.052 -0.478 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.609 8.364 -1.274 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.683 7.317 -0.317 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.943 7.365 2.939 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.952 7.472 1.163 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.766 6.431 1.986 1.00 0.52 H new ATOM 721 N HIS A 102 -6.532 5.857 -0.528 1.00 0.47 N ATOM 722 CA HIS A 102 -5.984 5.326 -1.811 1.00 0.51 C ATOM 723 C HIS A 102 -6.982 5.560 -2.948 1.00 0.58 C ATOM 724 O HIS A 102 -7.980 4.865 -3.067 1.00 0.64 O ATOM 725 CB HIS A 102 -5.728 3.820 -1.675 1.00 0.57 C ATOM 726 CG HIS A 102 -5.282 3.263 -2.997 1.00 0.64 C ATOM 727 ND1 HIS A 102 -4.843 4.075 -4.030 1.00 1.41 N ATOM 728 CD2 HIS A 102 -5.217 1.978 -3.474 1.00 0.64 C ATOM 729 CE1 HIS A 102 -4.537 3.278 -5.068 1.00 1.36 C ATOM 730 NE2 HIS A 102 -4.746 1.990 -4.782 1.00 0.70 N ATOM 0 H HIS A 102 -6.756 5.145 0.167 1.00 0.47 H new ATOM 0 HA HIS A 102 -5.052 5.844 -2.036 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.967 3.637 -0.917 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.635 3.315 -1.344 1.00 0.57 H new ATOM 0 HD2 HIS A 102 -5.490 1.093 -2.918 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -4.167 3.635 -6.018 1.00 1.36 H new ATOM 0 HE2 HIS A 102 -4.593 1.187 -5.392 1.00 0.70 H new ATOM 738 N SER A 103 -6.706 6.521 -3.792 1.00 0.60 N ATOM 739 CA SER A 103 -7.611 6.798 -4.943 1.00 0.69 C ATOM 740 C SER A 103 -7.488 5.662 -5.959 1.00 0.76 C ATOM 741 O SER A 103 -8.343 4.804 -6.062 1.00 0.85 O ATOM 742 CB SER A 103 -7.209 8.117 -5.603 1.00 0.74 C ATOM 743 OG SER A 103 -7.757 8.172 -6.914 1.00 1.49 O ATOM 0 H SER A 103 -5.888 7.128 -3.731 1.00 0.60 H new ATOM 0 HA SER A 103 -8.641 6.870 -4.592 1.00 0.69 H new ATOM 0 HB2 SER A 103 -7.569 8.958 -5.010 1.00 0.74 H new ATOM 0 HB3 SER A 103 -6.123 8.199 -5.647 1.00 0.74 H new ATOM 0 HG SER A 103 -7.503 9.017 -7.340 1.00 1.49 H new ATOM 749 N GLN A 104 -6.418 5.654 -6.707 1.00 0.81 N ATOM 750 CA GLN A 104 -6.207 4.585 -7.722 1.00 0.92 C ATOM 751 C GLN A 104 -4.796 4.729 -8.295 1.00 0.93 C ATOM 752 O GLN A 104 -4.100 3.759 -8.519 1.00 1.37 O ATOM 753 CB GLN A 104 -7.240 4.730 -8.844 1.00 1.06 C ATOM 754 CG GLN A 104 -7.160 3.523 -9.787 1.00 1.76 C ATOM 755 CD GLN A 104 -5.942 3.664 -10.705 1.00 2.14 C ATOM 756 OE1 GLN A 104 -5.053 2.711 -10.739 1.00 2.64 O flip ATOM 757 NE2 GLN A 104 -5.800 4.652 -11.397 1.00 2.70 N flip ATOM 0 H GLN A 104 -5.674 6.350 -6.657 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.322 3.604 -7.262 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -8.241 4.806 -8.420 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -7.059 5.650 -9.400 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -7.087 2.602 -9.209 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -8.070 3.454 -10.383 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -6.496 5.398 -11.370 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -4.985 4.736 -12.005 1.00 2.70 H new ATOM 766 N ARG A 105 -4.369 5.941 -8.524 1.00 0.83 N ATOM 767 CA ARG A 105 -3.003 6.169 -9.072 1.00 0.87 C ATOM 768 C ARG A 105 -1.992 6.158 -7.921 1.00 0.74 C ATOM 769 O ARG A 105 -0.809 5.958 -8.119 1.00 0.70 O ATOM 770 CB ARG A 105 -2.963 7.529 -9.772 1.00 1.06 C ATOM 771 CG ARG A 105 -1.683 7.648 -10.601 1.00 1.71 C ATOM 772 CD ARG A 105 -1.573 9.067 -11.165 1.00 1.99 C ATOM 773 NE ARG A 105 -0.292 9.209 -11.911 1.00 2.86 N ATOM 774 CZ ARG A 105 -0.115 10.222 -12.714 1.00 3.60 C ATOM 775 NH1 ARG A 105 -1.065 11.102 -12.873 1.00 3.73 N ATOM 776 NH2 ARG A 105 1.010 10.355 -13.362 1.00 4.61 N ATOM 0 H ARG A 105 -4.912 6.788 -8.354 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.754 5.384 -9.785 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -3.836 7.643 -10.415 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -3.005 8.330 -9.034 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -0.814 7.422 -9.983 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -1.694 6.922 -11.414 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -2.415 9.273 -11.826 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -1.617 9.796 -10.355 1.00 1.99 H new ATOM 0 HE ARG A 105 0.446 8.515 -11.794 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -1.946 10.998 -12.370 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -0.927 11.894 -13.501 1.00 3.73 H new ATOM 0 HH21 ARG A 105 1.753 9.666 -13.241 1.00 4.61 H new ATOM 0 HH22 ARG A 105 1.147 11.148 -13.989 1.00 4.61 H new ATOM 790 N ARG A 106 -2.453 6.378 -6.720 1.00 0.71 N ATOM 791 CA ARG A 106 -1.531 6.391 -5.549 1.00 0.65 C ATOM 792 C ARG A 106 -0.775 5.061 -5.469 1.00 0.54 C ATOM 793 O ARG A 106 0.360 5.010 -5.039 1.00 0.50 O ATOM 794 CB ARG A 106 -2.342 6.595 -4.264 1.00 0.70 C ATOM 795 CG ARG A 106 -3.235 7.837 -4.393 1.00 1.01 C ATOM 796 CD ARG A 106 -2.383 9.110 -4.356 1.00 1.24 C ATOM 797 NE ARG A 106 -3.264 10.287 -4.117 1.00 1.86 N ATOM 798 CZ ARG A 106 -2.747 11.424 -3.743 1.00 2.48 C ATOM 799 NH1 ARG A 106 -1.457 11.533 -3.580 1.00 2.86 N ATOM 800 NH2 ARG A 106 -3.519 12.454 -3.532 1.00 3.29 N ATOM 0 H ARG A 106 -3.434 6.550 -6.499 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.815 7.205 -5.664 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.956 5.715 -4.069 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.669 6.709 -3.414 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -3.797 7.794 -5.326 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -3.964 7.855 -3.583 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -1.634 9.037 -3.568 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -1.846 9.229 -5.297 1.00 1.24 H new ATOM 0 HE ARG A 106 -4.272 10.203 -4.246 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -0.852 10.728 -3.745 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -1.053 12.423 -3.287 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -4.528 12.370 -3.660 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -3.114 13.343 -3.239 1.00 3.29 H new ATOM 814 N GLN A 107 -1.390 3.986 -5.877 1.00 0.55 N ATOM 815 CA GLN A 107 -0.697 2.666 -5.818 1.00 0.52 C ATOM 816 C GLN A 107 0.534 2.699 -6.730 1.00 0.49 C ATOM 817 O GLN A 107 1.601 2.244 -6.368 1.00 0.44 O ATOM 818 CB GLN A 107 -1.649 1.568 -6.299 1.00 0.63 C ATOM 819 CG GLN A 107 -1.087 0.198 -5.915 1.00 1.11 C ATOM 820 CD GLN A 107 -1.907 -0.898 -6.598 1.00 1.53 C ATOM 821 OE1 GLN A 107 -1.390 -1.651 -7.399 1.00 2.13 O ATOM 822 NE2 GLN A 107 -3.175 -1.020 -6.314 1.00 2.12 N ATOM 0 H GLN A 107 -2.340 3.963 -6.248 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.391 2.462 -4.792 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.634 1.706 -5.854 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -1.776 1.630 -7.380 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.041 0.125 -6.214 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -1.119 0.070 -4.833 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -3.610 -0.388 -5.642 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -3.731 -1.747 -6.764 1.00 2.12 H new ATOM 831 N ASP A 108 0.386 3.226 -7.916 1.00 0.56 N ATOM 832 CA ASP A 108 1.536 3.284 -8.865 1.00 0.59 C ATOM 833 C ASP A 108 2.699 4.063 -8.242 1.00 0.54 C ATOM 834 O ASP A 108 3.847 3.681 -8.364 1.00 0.54 O ATOM 835 CB ASP A 108 1.096 3.985 -10.153 1.00 0.72 C ATOM 836 CG ASP A 108 0.047 3.132 -10.868 1.00 0.81 C ATOM 837 OD1 ASP A 108 -0.628 2.370 -10.195 1.00 1.42 O ATOM 838 OD2 ASP A 108 -0.066 3.256 -12.077 1.00 1.33 O ATOM 0 H ASP A 108 -0.486 3.620 -8.270 1.00 0.56 H new ATOM 0 HA ASP A 108 1.864 2.268 -9.086 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.685 4.968 -9.922 1.00 0.72 H new ATOM 0 HB3 ASP A 108 1.955 4.144 -10.804 1.00 0.72 H new ATOM 843 N ILE A 109 2.419 5.157 -7.589 1.00 0.55 N ATOM 844 CA ILE A 109 3.518 5.959 -6.977 1.00 0.54 C ATOM 845 C ILE A 109 4.270 5.116 -5.943 1.00 0.47 C ATOM 846 O ILE A 109 5.471 5.228 -5.797 1.00 0.53 O ATOM 847 CB ILE A 109 2.932 7.198 -6.297 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.173 8.034 -7.333 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.069 8.032 -5.698 1.00 0.63 C ATOM 850 CD1 ILE A 109 1.417 9.168 -6.633 1.00 1.47 C ATOM 0 H ILE A 109 1.480 5.530 -7.452 1.00 0.55 H new ATOM 0 HA ILE A 109 4.212 6.266 -7.760 1.00 0.54 H new ATOM 0 HB ILE A 109 2.248 6.894 -5.505 1.00 0.59 H new ATOM 0 HG12 ILE A 109 2.870 8.446 -8.063 1.00 0.70 H new ATOM 0 HG13 ILE A 109 1.474 7.403 -7.881 1.00 0.70 H new ATOM 0 HG21 ILE A 109 3.655 8.916 -5.213 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.611 7.435 -4.964 1.00 0.63 H new ATOM 0 HG23 ILE A 109 4.751 8.339 -6.491 1.00 0.63 H new ATOM 0 HD11 ILE A 109 0.879 9.759 -7.375 1.00 1.47 H new ATOM 0 HD12 ILE A 109 0.707 8.747 -5.921 1.00 1.47 H new ATOM 0 HD13 ILE A 109 2.126 9.806 -6.105 1.00 1.47 H new ATOM 862 N LEU A 110 3.577 4.280 -5.220 1.00 0.43 N ATOM 863 CA LEU A 110 4.262 3.440 -4.194 1.00 0.39 C ATOM 864 C LEU A 110 5.251 2.490 -4.878 1.00 0.38 C ATOM 865 O LEU A 110 6.444 2.562 -4.661 1.00 0.38 O ATOM 866 CB LEU A 110 3.213 2.626 -3.426 1.00 0.42 C ATOM 867 CG LEU A 110 3.881 1.808 -2.309 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.524 2.746 -1.270 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.817 0.938 -1.630 1.00 0.66 C ATOM 0 H LEU A 110 2.569 4.141 -5.294 1.00 0.43 H new ATOM 0 HA LEU A 110 4.806 4.083 -3.502 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.466 3.295 -2.998 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.689 1.959 -4.110 1.00 0.42 H new ATOM 0 HG LEU A 110 4.661 1.179 -2.738 1.00 0.44 H new ATOM 0 HD11 LEU A 110 4.993 2.153 -0.485 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.278 3.365 -1.756 1.00 0.56 H new ATOM 0 HD13 LEU A 110 3.757 3.385 -0.832 1.00 0.56 H new ATOM 0 HD21 LEU A 110 3.279 0.352 -0.835 1.00 0.66 H new ATOM 0 HD22 LEU A 110 2.041 1.576 -1.207 1.00 0.66 H new ATOM 0 HD23 LEU A 110 2.373 0.266 -2.365 1.00 0.66 H new ATOM 881 N ASP A 111 4.763 1.595 -5.691 1.00 0.40 N ATOM 882 CA ASP A 111 5.671 0.634 -6.380 1.00 0.42 C ATOM 883 C ASP A 111 6.783 1.391 -7.112 1.00 0.43 C ATOM 884 O ASP A 111 7.917 0.956 -7.156 1.00 0.42 O ATOM 885 CB ASP A 111 4.868 -0.187 -7.393 1.00 0.50 C ATOM 886 CG ASP A 111 3.617 -0.752 -6.719 1.00 0.59 C ATOM 887 OD1 ASP A 111 2.800 0.038 -6.274 1.00 1.30 O ATOM 888 OD2 ASP A 111 3.497 -1.965 -6.659 1.00 1.19 O ATOM 0 H ASP A 111 3.772 1.487 -5.909 1.00 0.40 H new ATOM 0 HA ASP A 111 6.118 -0.027 -5.637 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.586 0.438 -8.241 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.480 -0.999 -7.785 1.00 0.50 H new ATOM 893 N LEU A 112 6.468 2.511 -7.698 1.00 0.48 N ATOM 894 CA LEU A 112 7.508 3.283 -8.439 1.00 0.52 C ATOM 895 C LEU A 112 8.572 3.798 -7.468 1.00 0.48 C ATOM 896 O LEU A 112 9.748 3.545 -7.638 1.00 0.47 O ATOM 897 CB LEU A 112 6.848 4.463 -9.159 1.00 0.60 C ATOM 898 CG LEU A 112 7.816 5.067 -10.195 1.00 0.70 C ATOM 899 CD1 LEU A 112 7.857 4.204 -11.469 1.00 1.45 C ATOM 900 CD2 LEU A 112 7.347 6.480 -10.559 1.00 1.26 C ATOM 0 H LEU A 112 5.537 2.927 -7.697 1.00 0.48 H new ATOM 0 HA LEU A 112 7.986 2.631 -9.170 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.935 4.131 -9.654 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.559 5.224 -8.434 1.00 0.60 H new ATOM 0 HG LEU A 112 8.816 5.101 -9.762 1.00 0.70 H new ATOM 0 HD11 LEU A 112 8.546 4.648 -12.187 1.00 1.45 H new ATOM 0 HD12 LEU A 112 8.194 3.199 -11.217 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.860 4.153 -11.906 1.00 1.45 H new ATOM 0 HD21 LEU A 112 8.028 6.912 -11.292 1.00 1.26 H new ATOM 0 HD22 LEU A 112 6.343 6.433 -10.981 1.00 1.26 H new ATOM 0 HD23 LEU A 112 7.335 7.101 -9.664 1.00 1.26 H new ATOM 912 N TRP A 113 8.180 4.516 -6.450 1.00 0.48 N ATOM 913 CA TRP A 113 9.190 5.034 -5.483 1.00 0.48 C ATOM 914 C TRP A 113 10.095 3.884 -5.045 1.00 0.43 C ATOM 915 O TRP A 113 11.303 4.006 -5.016 1.00 0.45 O ATOM 916 CB TRP A 113 8.481 5.619 -4.259 1.00 0.52 C ATOM 917 CG TRP A 113 9.497 6.199 -3.326 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.075 7.413 -3.466 1.00 0.66 C ATOM 919 CD2 TRP A 113 10.062 5.614 -2.116 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.959 7.613 -2.422 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.987 6.532 -1.563 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.866 4.391 -1.450 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.692 6.245 -0.392 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.572 4.099 -0.272 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.484 5.024 0.255 1.00 0.67 C ATOM 0 H TRP A 113 7.212 4.765 -6.247 1.00 0.48 H new ATOM 0 HA TRP A 113 9.785 5.814 -5.958 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.774 6.389 -4.568 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.907 4.843 -3.752 1.00 0.52 H new ATOM 0 HD1 TRP A 113 9.878 8.113 -4.264 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.521 8.455 -2.301 1.00 0.70 H new ATOM 0 HE3 TRP A 113 9.167 3.671 -1.848 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.393 6.961 0.011 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 10.412 3.157 0.231 1.00 0.58 H new ATOM 0 HH2 TRP A 113 12.026 4.793 1.160 1.00 0.67 H new ATOM 936 N ILE A 114 9.517 2.765 -4.714 1.00 0.39 N ATOM 937 CA ILE A 114 10.342 1.604 -4.291 1.00 0.37 C ATOM 938 C ILE A 114 11.317 1.249 -5.418 1.00 0.39 C ATOM 939 O ILE A 114 12.404 0.761 -5.182 1.00 0.44 O ATOM 940 CB ILE A 114 9.424 0.405 -4.008 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.518 0.703 -2.789 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.271 -0.847 -3.754 1.00 0.42 C ATOM 943 CD1 ILE A 114 9.241 0.395 -1.466 1.00 1.00 C ATOM 0 H ILE A 114 8.510 2.605 -4.718 1.00 0.39 H new ATOM 0 HA ILE A 114 10.900 1.853 -3.388 1.00 0.37 H new ATOM 0 HB ILE A 114 8.787 0.229 -4.875 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.216 1.750 -2.805 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.608 0.107 -2.856 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.616 -1.695 -3.554 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.880 -1.059 -4.633 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.920 -0.679 -2.895 1.00 0.42 H new ATOM 0 HD11 ILE A 114 8.578 0.615 -0.629 1.00 1.00 H new ATOM 0 HD12 ILE A 114 9.520 -0.658 -1.441 1.00 1.00 H new ATOM 0 HD13 ILE A 114 10.138 1.010 -1.390 1.00 1.00 H new ATOM 955 N TYR A 115 10.929 1.483 -6.643 1.00 0.40 N ATOM 956 CA TYR A 115 11.822 1.152 -7.791 1.00 0.46 C ATOM 957 C TYR A 115 13.096 2.016 -7.756 1.00 0.51 C ATOM 958 O TYR A 115 14.191 1.517 -7.590 1.00 0.54 O ATOM 959 CB TYR A 115 11.062 1.395 -9.104 1.00 0.53 C ATOM 960 CG TYR A 115 11.669 0.570 -10.219 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.384 -0.798 -10.312 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.514 1.174 -11.159 1.00 0.74 C ATOM 963 CE1 TYR A 115 11.942 -1.562 -11.344 1.00 0.65 C ATOM 964 CE2 TYR A 115 13.072 0.409 -12.191 1.00 0.82 C ATOM 965 CZ TYR A 115 12.786 -0.957 -12.283 1.00 0.77 C ATOM 966 OH TYR A 115 13.337 -1.710 -13.300 1.00 0.87 O ATOM 0 H TYR A 115 10.029 1.890 -6.899 1.00 0.40 H new ATOM 0 HA TYR A 115 12.118 0.105 -7.722 1.00 0.46 H new ATOM 0 HB2 TYR A 115 10.011 1.133 -8.978 1.00 0.53 H new ATOM 0 HB3 TYR A 115 11.098 2.453 -9.363 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.733 -1.264 -9.587 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.735 2.229 -11.088 1.00 0.74 H new ATOM 0 HE1 TYR A 115 11.722 -2.617 -11.416 1.00 0.65 H new ATOM 0 HE2 TYR A 115 13.723 0.874 -12.916 1.00 0.82 H new ATOM 0 HH TYR A 115 13.897 -1.137 -13.865 1.00 0.87 H new ATOM 976 N HIS A 116 12.959 3.305 -7.936 1.00 0.58 N ATOM 977 CA HIS A 116 14.158 4.204 -7.943 1.00 0.67 C ATOM 978 C HIS A 116 14.900 4.148 -6.602 1.00 0.67 C ATOM 979 O HIS A 116 15.818 4.912 -6.376 1.00 0.81 O ATOM 980 CB HIS A 116 13.703 5.643 -8.198 1.00 0.79 C ATOM 981 CG HIS A 116 13.211 5.772 -9.612 1.00 1.20 C ATOM 982 ND1 HIS A 116 13.917 5.263 -10.689 1.00 1.99 N ATOM 983 CD2 HIS A 116 12.085 6.352 -10.142 1.00 2.05 C ATOM 984 CE1 HIS A 116 13.215 5.543 -11.804 1.00 2.71 C ATOM 985 NE2 HIS A 116 12.091 6.206 -11.526 1.00 2.74 N ATOM 0 H HIS A 116 12.066 3.777 -8.079 1.00 0.58 H new ATOM 0 HA HIS A 116 14.835 3.869 -8.729 1.00 0.67 H new ATOM 0 HB2 HIS A 116 12.911 5.914 -7.500 1.00 0.79 H new ATOM 0 HB3 HIS A 116 14.529 6.333 -8.025 1.00 0.79 H new ATOM 0 HD2 HIS A 116 11.312 6.846 -9.572 1.00 2.05 H new ATOM 0 HE1 HIS A 116 13.524 5.265 -12.801 1.00 2.71 H new ATOM 0 HE2 HIS A 116 11.387 6.535 -12.186 1.00 2.74 H new ATOM 993 N THR A 117 14.518 3.265 -5.711 1.00 0.63 N ATOM 994 CA THR A 117 15.211 3.177 -4.380 1.00 0.68 C ATOM 995 C THR A 117 15.710 1.750 -4.142 1.00 0.66 C ATOM 996 O THR A 117 16.869 1.445 -4.343 1.00 0.73 O ATOM 997 CB THR A 117 14.228 3.557 -3.273 1.00 0.80 C ATOM 998 OG1 THR A 117 13.069 2.744 -3.374 1.00 0.85 O ATOM 999 CG2 THR A 117 13.838 5.029 -3.418 1.00 0.91 C ATOM 0 H THR A 117 13.756 2.600 -5.845 1.00 0.63 H new ATOM 0 HA THR A 117 16.061 3.860 -4.374 1.00 0.68 H new ATOM 0 HB THR A 117 14.696 3.403 -2.301 1.00 0.80 H new ATOM 0 HG1 THR A 117 12.384 3.213 -3.895 1.00 0.85 H new ATOM 0 HG21 THR A 117 13.137 5.299 -2.628 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.730 5.651 -3.340 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.369 5.187 -4.389 1.00 0.91 H new ATOM 1007 N GLN A 118 14.848 0.878 -3.697 1.00 0.73 N ATOM 1008 CA GLN A 118 15.274 -0.524 -3.425 1.00 0.83 C ATOM 1009 C GLN A 118 15.278 -1.328 -4.728 1.00 0.72 C ATOM 1010 O GLN A 118 15.834 -2.407 -4.801 1.00 0.91 O ATOM 1011 CB GLN A 118 14.289 -1.155 -2.445 1.00 1.06 C ATOM 1012 CG GLN A 118 14.216 -0.307 -1.173 1.00 1.48 C ATOM 1013 CD GLN A 118 13.079 -0.807 -0.276 1.00 2.12 C ATOM 1014 OE1 GLN A 118 13.135 -0.659 0.929 1.00 2.89 O ATOM 1015 NE2 GLN A 118 12.040 -1.393 -0.810 1.00 2.13 N ATOM 0 H GLN A 118 13.865 1.076 -3.510 1.00 0.73 H new ATOM 0 HA GLN A 118 16.278 -0.526 -3.002 1.00 0.83 H new ATOM 0 HB2 GLN A 118 13.302 -1.229 -2.902 1.00 1.06 H new ATOM 0 HB3 GLN A 118 14.603 -2.170 -2.200 1.00 1.06 H new ATOM 0 HG2 GLN A 118 15.163 -0.359 -0.636 1.00 1.48 H new ATOM 0 HG3 GLN A 118 14.053 0.739 -1.432 1.00 1.48 H new ATOM 0 HE21 GLN A 118 11.989 -1.519 -1.821 1.00 2.13 H new ATOM 0 HE22 GLN A 118 11.280 -1.724 -0.216 1.00 2.13 H new ATOM 1024 N GLY A 119 14.681 -0.805 -5.759 1.00 0.86 N ATOM 1025 CA GLY A 119 14.666 -1.528 -7.062 1.00 0.85 C ATOM 1026 C GLY A 119 13.885 -2.845 -6.956 1.00 0.65 C ATOM 1027 O GLY A 119 14.011 -3.706 -7.802 1.00 0.67 O ATOM 0 H GLY A 119 14.201 0.095 -5.758 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.216 -0.895 -7.827 1.00 0.85 H new ATOM 0 HA3 GLY A 119 15.689 -1.733 -7.379 1.00 0.85 H new ATOM 1031 N TYR A 120 13.071 -3.021 -5.948 1.00 0.54 N ATOM 1032 CA TYR A 120 12.305 -4.299 -5.858 1.00 0.44 C ATOM 1033 C TYR A 120 11.219 -4.288 -6.937 1.00 0.49 C ATOM 1034 O TYR A 120 10.472 -3.339 -7.069 1.00 0.70 O ATOM 1035 CB TYR A 120 11.645 -4.438 -4.475 1.00 0.48 C ATOM 1036 CG TYR A 120 12.637 -4.982 -3.463 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.201 -6.255 -3.638 1.00 0.58 C ATOM 1038 CD2 TYR A 120 12.989 -4.215 -2.347 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.112 -6.751 -2.696 1.00 0.71 C ATOM 1040 CE2 TYR A 120 13.899 -4.712 -1.408 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.461 -5.979 -1.582 1.00 0.75 C ATOM 1042 OH TYR A 120 15.360 -6.468 -0.656 1.00 0.91 O ATOM 0 H TYR A 120 12.905 -2.350 -5.197 1.00 0.54 H new ATOM 0 HA TYR A 120 12.984 -5.139 -6.003 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.274 -3.468 -4.144 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.784 -5.103 -4.542 1.00 0.48 H new ATOM 0 HD1 TYR A 120 12.933 -6.852 -4.498 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.556 -3.235 -2.210 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.546 -7.731 -2.830 1.00 0.71 H new ATOM 0 HE2 TYR A 120 14.167 -4.116 -0.548 1.00 0.71 H new ATOM 0 HH TYR A 120 15.492 -5.805 0.054 1.00 0.91 H new ATOM 1052 N PHE A 121 11.128 -5.334 -7.706 1.00 0.48 N ATOM 1053 CA PHE A 121 10.090 -5.380 -8.775 1.00 0.57 C ATOM 1054 C PHE A 121 8.725 -5.677 -8.130 1.00 0.55 C ATOM 1055 O PHE A 121 8.656 -6.319 -7.102 1.00 0.59 O ATOM 1056 CB PHE A 121 10.447 -6.480 -9.785 1.00 0.68 C ATOM 1057 CG PHE A 121 11.057 -7.658 -9.059 1.00 1.42 C ATOM 1058 CD1 PHE A 121 10.245 -8.504 -8.296 1.00 2.32 C ATOM 1059 CD2 PHE A 121 12.434 -7.905 -9.147 1.00 2.33 C ATOM 1060 CE1 PHE A 121 10.806 -9.596 -7.621 1.00 3.44 C ATOM 1061 CE2 PHE A 121 12.995 -8.997 -8.472 1.00 3.43 C ATOM 1062 CZ PHE A 121 12.181 -9.842 -7.710 1.00 3.85 C ATOM 0 H PHE A 121 11.725 -6.159 -7.643 1.00 0.48 H new ATOM 0 HA PHE A 121 10.045 -4.424 -9.296 1.00 0.57 H new ATOM 0 HB2 PHE A 121 9.554 -6.796 -10.325 1.00 0.68 H new ATOM 0 HB3 PHE A 121 11.148 -6.094 -10.526 1.00 0.68 H new ATOM 0 HD1 PHE A 121 9.184 -8.315 -8.227 1.00 2.32 H new ATOM 0 HD2 PHE A 121 13.063 -7.253 -9.735 1.00 2.33 H new ATOM 0 HE1 PHE A 121 10.178 -10.248 -7.032 1.00 3.44 H new ATOM 0 HE2 PHE A 121 14.056 -9.187 -8.540 1.00 3.43 H new ATOM 0 HZ PHE A 121 12.614 -10.684 -7.190 1.00 3.85 H new ATOM 1072 N PRO A 122 7.643 -5.214 -8.716 1.00 0.64 N ATOM 1073 CA PRO A 122 6.275 -5.446 -8.161 1.00 0.67 C ATOM 1074 C PRO A 122 5.732 -6.846 -8.472 1.00 0.73 C ATOM 1075 O PRO A 122 5.244 -7.115 -9.552 1.00 1.19 O ATOM 1076 CB PRO A 122 5.436 -4.373 -8.860 1.00 0.80 C ATOM 1077 CG PRO A 122 6.082 -4.220 -10.197 1.00 1.05 C ATOM 1078 CD PRO A 122 7.586 -4.417 -9.961 1.00 0.87 C ATOM 0 HA PRO A 122 6.261 -5.386 -7.073 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.394 -4.680 -8.953 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.444 -3.436 -8.304 1.00 0.80 H new ATOM 0 HG2 PRO A 122 5.698 -4.956 -10.903 1.00 1.05 H new ATOM 0 HG3 PRO A 122 5.878 -3.236 -10.619 1.00 1.05 H new ATOM 0 HD2 PRO A 122 8.057 -4.940 -10.793 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.102 -3.464 -9.850 1.00 0.87 H new ATOM 1086 N ASP A 123 5.797 -7.725 -7.516 1.00 0.56 N ATOM 1087 CA ASP A 123 5.273 -9.105 -7.712 1.00 0.64 C ATOM 1088 C ASP A 123 4.932 -9.668 -6.334 1.00 0.58 C ATOM 1089 O ASP A 123 4.878 -10.864 -6.125 1.00 0.65 O ATOM 1090 CB ASP A 123 6.332 -9.978 -8.398 1.00 0.74 C ATOM 1091 CG ASP A 123 7.493 -10.248 -7.435 1.00 0.77 C ATOM 1092 OD1 ASP A 123 7.805 -9.366 -6.652 1.00 1.38 O ATOM 1093 OD2 ASP A 123 8.048 -11.332 -7.496 1.00 1.27 O ATOM 0 H ASP A 123 6.196 -7.545 -6.595 1.00 0.56 H new ATOM 0 HA ASP A 123 4.387 -9.093 -8.347 1.00 0.64 H new ATOM 0 HB2 ASP A 123 5.887 -10.920 -8.717 1.00 0.74 H new ATOM 0 HB3 ASP A 123 6.701 -9.480 -9.295 1.00 0.74 H new ATOM 1098 N TRP A 124 4.719 -8.789 -5.390 1.00 0.53 N ATOM 1099 CA TRP A 124 4.395 -9.209 -3.994 1.00 0.52 C ATOM 1100 C TRP A 124 3.180 -8.434 -3.502 1.00 0.51 C ATOM 1101 O TRP A 124 2.422 -8.887 -2.667 1.00 0.55 O ATOM 1102 CB TRP A 124 5.590 -8.882 -3.103 1.00 0.49 C ATOM 1103 CG TRP A 124 5.920 -7.430 -3.263 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.673 -6.902 -4.260 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.506 -6.309 -2.430 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.752 -5.534 -4.084 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.049 -5.119 -2.970 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.721 -6.210 -1.266 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.821 -3.877 -2.379 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.489 -4.961 -0.669 1.00 0.58 C ATOM 1111 CH2 TRP A 124 5.038 -3.797 -1.225 1.00 0.55 C ATOM 0 H TRP A 124 4.757 -7.779 -5.530 1.00 0.53 H new ATOM 0 HA TRP A 124 4.180 -10.277 -3.964 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.358 -9.105 -2.062 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.447 -9.497 -3.378 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.135 -7.460 -5.061 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.267 -4.907 -4.702 1.00 0.42 H new ATOM 0 HE3 TRP A 124 4.294 -7.101 -0.829 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.247 -2.983 -2.810 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 3.884 -4.896 0.223 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.856 -2.839 -0.761 1.00 0.55 H new ATOM 1122 N GLN A 125 3.003 -7.266 -4.018 1.00 0.53 N ATOM 1123 CA GLN A 125 1.851 -6.418 -3.607 1.00 0.60 C ATOM 1124 C GLN A 125 0.568 -6.958 -4.246 1.00 0.66 C ATOM 1125 O GLN A 125 0.377 -6.874 -5.444 1.00 0.84 O ATOM 1126 CB GLN A 125 2.098 -4.978 -4.068 1.00 0.69 C ATOM 1127 CG GLN A 125 0.919 -4.091 -3.663 1.00 1.56 C ATOM 1128 CD GLN A 125 1.231 -2.638 -4.026 1.00 2.18 C ATOM 1129 OE1 GLN A 125 1.993 -1.980 -3.346 1.00 2.78 O ATOM 1130 NE2 GLN A 125 0.672 -2.108 -5.079 1.00 2.82 N ATOM 0 H GLN A 125 3.613 -6.848 -4.720 1.00 0.53 H new ATOM 0 HA GLN A 125 1.745 -6.437 -2.522 1.00 0.60 H new ATOM 0 HB2 GLN A 125 3.019 -4.598 -3.625 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.230 -4.951 -5.150 1.00 0.69 H new ATOM 0 HG2 GLN A 125 0.012 -4.418 -4.171 1.00 1.56 H new ATOM 0 HG3 GLN A 125 0.734 -4.179 -2.592 1.00 1.56 H new ATOM 0 HE21 GLN A 125 0.032 -2.661 -5.650 1.00 2.82 H new ATOM 0 HE22 GLN A 125 0.875 -1.141 -5.332 1.00 2.82 H new ATOM 1139 N ASN A 126 -0.315 -7.510 -3.457 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.587 -8.055 -4.016 1.00 0.72 C ATOM 1141 C ASN A 126 -2.676 -8.015 -2.937 1.00 0.69 C ATOM 1142 O ASN A 126 -2.426 -7.652 -1.804 1.00 1.22 O ATOM 1143 CB ASN A 126 -1.366 -9.498 -4.475 1.00 0.84 C ATOM 1144 CG ASN A 126 -0.517 -9.502 -5.749 1.00 0.89 C ATOM 1145 OD1 ASN A 126 -0.942 -9.013 -6.777 1.00 1.53 O ATOM 1146 ND2 ASN A 126 0.673 -10.037 -5.725 1.00 0.88 N ATOM 0 H ASN A 126 -0.210 -7.607 -2.447 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.901 -7.451 -4.868 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -0.868 -10.068 -3.691 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -2.324 -9.983 -4.662 1.00 0.84 H new ATOM 0 HD21 ASN A 126 1.246 -10.045 -6.569 1.00 0.88 H new ATOM 0 HD22 ASN A 126 1.030 -10.448 -4.862 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.882 -8.386 -3.278 1.00 0.69 N ATOM 1154 CA TYR A 127 -4.990 -8.360 -2.275 1.00 0.61 C ATOM 1155 C TYR A 127 -6.139 -9.245 -2.767 1.00 0.63 C ATOM 1156 O TYR A 127 -6.256 -9.534 -3.942 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.524 -6.925 -2.115 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.389 -5.944 -1.936 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -3.770 -5.377 -3.057 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -3.962 -5.594 -0.649 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -2.723 -4.463 -2.892 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -2.913 -4.679 -0.484 1.00 1.19 C ATOM 1163 CZ TYR A 127 -2.294 -4.115 -1.606 1.00 1.23 C ATOM 1164 OH TYR A 127 -1.261 -3.212 -1.445 1.00 1.48 O ATOM 0 H TYR A 127 -4.149 -8.707 -4.209 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.608 -8.722 -1.321 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -6.111 -6.652 -2.991 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -6.192 -6.875 -1.255 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -4.101 -5.645 -4.049 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.441 -6.029 0.216 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -2.246 -4.026 -3.757 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.582 -4.409 0.508 1.00 1.19 H new ATOM 0 HH TYR A 127 -1.088 -3.080 -0.489 1.00 1.48 H new ATOM 1174 N THR A 128 -6.989 -9.676 -1.875 1.00 0.62 N ATOM 1175 CA THR A 128 -8.131 -10.541 -2.287 1.00 0.68 C ATOM 1176 C THR A 128 -9.078 -9.742 -3.196 1.00 0.75 C ATOM 1177 O THR A 128 -9.212 -8.544 -3.042 1.00 0.97 O ATOM 1178 CB THR A 128 -8.898 -10.992 -1.040 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.461 -9.857 -0.397 1.00 1.22 O ATOM 1180 CG2 THR A 128 -7.946 -11.702 -0.079 1.00 0.90 C ATOM 0 H THR A 128 -6.942 -9.466 -0.878 1.00 0.62 H new ATOM 0 HA THR A 128 -7.753 -11.410 -2.825 1.00 0.68 H new ATOM 0 HB THR A 128 -9.693 -11.678 -1.332 1.00 0.86 H new ATOM 0 HG1 THR A 128 -9.954 -10.144 0.400 1.00 1.22 H new ATOM 0 HG21 THR A 128 -8.495 -12.021 0.807 1.00 0.90 H new ATOM 0 HG22 THR A 128 -7.514 -12.573 -0.572 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.149 -11.019 0.215 1.00 0.90 H new ATOM 1249 N ARG A 134 -10.143 -5.112 1.796 1.00 0.51 N ATOM 1250 CA ARG A 134 -9.122 -5.753 0.914 1.00 0.49 C ATOM 1251 C ARG A 134 -7.879 -6.108 1.748 1.00 0.40 C ATOM 1252 O ARG A 134 -7.055 -5.263 2.036 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.749 -4.769 -0.226 1.00 0.58 C ATOM 1254 CG ARG A 134 -9.179 -5.329 -1.591 1.00 1.06 C ATOM 1255 CD ARG A 134 -9.102 -4.220 -2.642 1.00 1.37 C ATOM 1256 NE ARG A 134 -9.413 -4.786 -3.984 1.00 1.86 N ATOM 1257 CZ ARG A 134 -9.700 -3.989 -4.977 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -9.720 -2.697 -4.793 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -9.967 -4.485 -6.155 1.00 3.36 N ATOM 0 HA ARG A 134 -9.523 -6.668 0.477 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -9.231 -3.807 -0.054 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.673 -4.592 -0.223 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -8.534 -6.160 -1.875 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -10.195 -5.720 -1.532 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -9.806 -3.424 -2.399 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -8.107 -3.775 -2.645 1.00 1.37 H new ATOM 0 HE ARG A 134 -9.402 -5.796 -4.127 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -9.511 -2.310 -3.873 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -9.944 -2.075 -5.569 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -9.951 -5.495 -6.299 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -10.191 -3.863 -6.931 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.736 -7.352 2.130 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.543 -7.758 2.936 1.00 0.39 C ATOM 1275 C TYR A 135 -5.397 -8.143 1.981 1.00 0.36 C ATOM 1276 O TYR A 135 -5.639 -8.613 0.888 1.00 0.39 O ATOM 1277 CB TYR A 135 -6.916 -8.962 3.808 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.292 -8.747 4.394 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.428 -9.026 3.625 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -8.431 -8.267 5.702 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.704 -8.825 4.164 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -9.707 -8.066 6.241 1.00 0.85 C ATOM 1283 CZ TYR A 135 -10.843 -8.345 5.472 1.00 0.92 C ATOM 1284 OH TYR A 135 -12.103 -8.146 6.003 1.00 1.17 O ATOM 0 H TYR A 135 -8.393 -8.104 1.919 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.222 -6.933 3.573 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -6.900 -9.875 3.213 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.184 -9.088 4.606 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.320 -9.396 2.616 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -7.554 -8.052 6.295 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.581 -9.040 3.571 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -9.815 -7.696 7.250 1.00 0.85 H new ATOM 0 HH TYR A 135 -12.022 -7.811 6.920 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.158 -7.953 2.381 1.00 0.37 N ATOM 1295 CA PRO A 136 -2.980 -8.301 1.525 1.00 0.38 C ATOM 1296 C PRO A 136 -2.726 -9.813 1.487 1.00 0.37 C ATOM 1297 O PRO A 136 -2.561 -10.449 2.509 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.821 -7.571 2.211 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.206 -7.539 3.655 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.730 -7.391 3.679 1.00 0.44 C ATOM 0 HA PRO A 136 -3.122 -8.011 0.484 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.877 -8.096 2.063 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.693 -6.565 1.811 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -1.894 -8.452 4.163 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.724 -6.707 4.169 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.172 -7.933 4.515 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.029 -6.348 3.782 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.694 -10.395 0.317 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.450 -11.864 0.234 1.00 0.43 C ATOM 1310 C LEU A 137 -1.045 -12.183 0.744 1.00 0.41 C ATOM 1311 O LEU A 137 -0.852 -13.097 1.520 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.583 -12.343 -1.218 1.00 0.51 C ATOM 1313 CG LEU A 137 -4.053 -12.294 -1.666 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -4.150 -12.702 -3.145 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -4.921 -13.230 -0.791 1.00 0.92 C ATOM 0 H LEU A 137 -2.825 -9.921 -0.577 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.189 -12.377 0.849 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.976 -11.716 -1.871 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.202 -13.360 -1.308 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.427 -11.277 -1.547 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -5.192 -12.668 -3.464 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.562 -12.014 -3.752 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.766 -13.714 -3.269 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.958 -13.181 -1.124 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -4.558 -14.254 -0.883 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.859 -12.915 0.251 1.00 0.92 H new ATOM 1327 N THR A 138 -0.058 -11.442 0.318 1.00 0.50 N ATOM 1328 CA THR A 138 1.324 -11.725 0.792 1.00 0.55 C ATOM 1329 C THR A 138 1.375 -11.516 2.304 1.00 0.47 C ATOM 1330 O THR A 138 0.640 -10.725 2.860 1.00 0.50 O ATOM 1331 CB THR A 138 2.325 -10.783 0.098 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.704 -9.529 -0.144 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.776 -11.394 -1.232 1.00 1.04 C ATOM 0 H THR A 138 -0.148 -10.661 -0.331 1.00 0.50 H new ATOM 0 HA THR A 138 1.593 -12.753 0.550 1.00 0.55 H new ATOM 0 HB THR A 138 3.193 -10.643 0.742 1.00 0.73 H new ATOM 0 HG1 THR A 138 1.786 -9.301 -1.094 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.484 -10.723 -1.719 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.255 -12.355 -1.047 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.910 -11.539 -1.878 1.00 1.04 H new ATOM 1341 N PHE A 139 2.237 -12.231 2.971 1.00 0.51 N ATOM 1342 CA PHE A 139 2.341 -12.093 4.453 1.00 0.49 C ATOM 1343 C PHE A 139 3.462 -11.118 4.809 1.00 0.65 C ATOM 1344 O PHE A 139 4.375 -10.892 4.040 1.00 1.43 O ATOM 1345 CB PHE A 139 2.647 -13.455 5.074 1.00 0.52 C ATOM 1346 CG PHE A 139 2.696 -13.316 6.577 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.506 -13.252 7.312 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.929 -13.249 7.235 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.550 -13.123 8.706 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.972 -13.119 8.629 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.783 -13.056 9.364 1.00 0.66 C ATOM 0 H PHE A 139 2.876 -12.907 2.554 1.00 0.51 H new ATOM 0 HA PHE A 139 1.395 -11.715 4.840 1.00 0.49 H new ATOM 0 HB2 PHE A 139 1.883 -14.178 4.788 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.599 -13.833 4.701 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.554 -13.302 6.804 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.847 -13.297 6.668 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.632 -13.075 9.273 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.924 -13.067 9.137 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.817 -12.956 10.439 1.00 0.66 H new ATOM 1361 N GLY A 140 3.397 -10.546 5.979 1.00 0.46 N ATOM 1362 CA GLY A 140 4.450 -9.585 6.418 1.00 0.43 C ATOM 1363 C GLY A 140 4.017 -8.158 6.077 1.00 0.35 C ATOM 1364 O GLY A 140 4.276 -7.228 6.814 1.00 0.32 O ATOM 0 H GLY A 140 2.652 -10.704 6.657 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.617 -9.678 7.491 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.395 -9.816 5.927 1.00 0.43 H new ATOM 1368 N TRP A 141 3.352 -7.981 4.969 1.00 0.34 N ATOM 1369 CA TRP A 141 2.893 -6.615 4.584 1.00 0.29 C ATOM 1370 C TRP A 141 1.683 -6.264 5.446 1.00 0.32 C ATOM 1371 O TRP A 141 0.575 -6.697 5.198 1.00 0.40 O ATOM 1372 CB TRP A 141 2.546 -6.612 3.090 1.00 0.33 C ATOM 1373 CG TRP A 141 2.271 -5.225 2.574 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.180 -4.900 1.843 1.00 0.35 C ATOM 1375 CD2 TRP A 141 3.061 -3.989 2.693 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.238 -3.562 1.508 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.370 -2.956 2.008 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.286 -3.652 3.316 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.866 -1.653 1.942 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.784 -2.339 3.248 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.075 -1.344 2.563 1.00 0.33 C ATOM 0 H TRP A 141 3.106 -8.722 4.313 1.00 0.34 H new ATOM 0 HA TRP A 141 3.670 -5.868 4.749 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.369 -7.051 2.526 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.672 -7.241 2.920 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.388 -5.580 1.565 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.528 -3.080 0.957 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.843 -4.409 3.848 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.316 -0.889 1.413 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.721 -2.096 3.728 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.465 -0.338 2.516 1.00 0.33 H new ATOM 1392 N CYS A 142 1.910 -5.521 6.495 1.00 0.31 N ATOM 1393 CA CYS A 142 0.810 -5.175 7.434 1.00 0.40 C ATOM 1394 C CYS A 142 -0.030 -3.996 6.941 1.00 0.39 C ATOM 1395 O CYS A 142 -0.455 -3.172 7.726 1.00 0.48 O ATOM 1396 CB CYS A 142 1.426 -4.817 8.769 1.00 0.47 C ATOM 1397 SG CYS A 142 2.450 -6.191 9.353 1.00 1.45 S ATOM 0 H CYS A 142 2.822 -5.136 6.742 1.00 0.31 H new ATOM 0 HA CYS A 142 0.146 -6.036 7.514 1.00 0.40 H new ATOM 0 HB2 CYS A 142 2.031 -3.915 8.672 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.643 -4.599 9.495 1.00 0.47 H new ATOM 0 HG CYS A 142 3.186 -6.630 8.375 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.292 -3.915 5.668 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.132 -2.791 5.133 1.00 0.40 C ATOM 1405 C TYR A 143 -2.437 -3.387 4.594 1.00 0.43 C ATOM 1406 O TYR A 143 -2.423 -4.271 3.759 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.367 -2.080 4.005 1.00 0.55 C ATOM 1408 CG TYR A 143 0.443 -0.930 4.566 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.140 0.335 4.689 1.00 2.16 C ATOM 1410 CD2 TYR A 143 1.770 -1.130 4.963 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.601 1.403 5.207 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.513 -0.063 5.481 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.929 1.204 5.603 1.00 3.52 C ATOM 1414 OH TYR A 143 2.662 2.257 6.115 1.00 4.57 O ATOM 0 H TYR A 143 0.037 -4.578 4.966 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.353 -2.066 5.916 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.292 -2.787 3.501 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -1.068 -1.710 3.257 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.165 0.488 4.384 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.220 -2.107 4.870 1.00 2.17 H new ATOM 0 HE1 TYR A 143 0.149 2.379 5.301 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.537 -0.217 5.787 1.00 3.14 H new ATOM 0 HH TYR A 143 3.564 1.948 6.341 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.560 -2.918 5.078 1.00 0.39 N ATOM 1425 CA LYS A 144 -4.879 -3.457 4.613 1.00 0.51 C ATOM 1426 C LYS A 144 -5.787 -2.298 4.199 1.00 0.43 C ATOM 1427 O LYS A 144 -6.033 -1.382 4.957 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.529 -4.240 5.759 1.00 0.70 C ATOM 1429 CG LYS A 144 -5.888 -3.288 6.907 1.00 1.21 C ATOM 1430 CD LYS A 144 -6.092 -4.087 8.198 1.00 1.24 C ATOM 1431 CE LYS A 144 -6.807 -3.217 9.233 1.00 1.57 C ATOM 1432 NZ LYS A 144 -6.004 -1.987 9.487 1.00 2.32 N ATOM 0 H LYS A 144 -3.622 -2.180 5.780 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.729 -4.116 3.758 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -6.426 -4.747 5.402 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -4.847 -5.012 6.116 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -5.094 -2.554 7.044 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -6.795 -2.735 6.663 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -6.678 -4.983 7.994 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -5.130 -4.418 8.589 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -7.800 -2.948 8.874 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -6.943 -3.774 10.160 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -5.528 -2.067 10.408 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -5.292 -1.876 8.737 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -6.632 -1.158 9.493 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.287 -2.336 2.995 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.181 -1.244 2.523 1.00 0.37 C ATOM 1448 C LEU A 145 -8.575 -1.427 3.133 1.00 0.38 C ATOM 1449 O LEU A 145 -9.009 -2.535 3.386 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.272 -1.293 0.991 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.887 -1.011 0.366 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.802 -1.662 -1.019 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.674 0.503 0.214 1.00 0.52 C ATOM 0 H LEU A 145 -6.114 -3.078 2.317 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.780 -0.279 2.831 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.631 -2.271 0.672 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -7.995 -0.557 0.638 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.119 -1.425 1.020 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.824 -1.461 -1.456 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.943 -2.739 -0.924 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.579 -1.250 -1.663 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -4.695 0.690 -0.227 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.448 0.916 -0.432 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -5.727 0.978 1.194 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.276 -0.347 3.368 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.643 -0.434 3.969 1.00 0.50 C ATOM 1467 C VAL A 146 -11.411 0.848 3.585 1.00 0.59 C ATOM 1468 O VAL A 146 -10.864 1.930 3.651 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.527 -0.499 5.509 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.919 -0.589 6.154 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.718 -1.727 5.935 1.00 0.56 C ATOM 0 H VAL A 146 -8.957 0.601 3.167 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.159 -1.323 3.606 1.00 0.50 H new ATOM 0 HB VAL A 146 -10.025 0.410 5.840 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.815 -0.634 7.238 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.504 0.289 5.881 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.426 -1.487 5.801 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.647 -1.756 7.022 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.213 -2.630 5.579 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.717 -1.670 5.507 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.664 0.745 3.188 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.475 1.940 2.801 1.00 0.81 C ATOM 1483 C PRO A 147 -13.909 2.766 4.016 1.00 0.91 C ATOM 1484 O PRO A 147 -13.751 2.355 5.149 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.693 1.329 2.096 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.866 -0.001 2.748 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.453 -0.499 3.059 1.00 0.75 C ATOM 0 HA PRO A 147 -12.912 2.634 2.177 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.579 1.952 2.221 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.523 1.228 1.024 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.460 0.084 3.658 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.389 -0.694 2.089 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.428 -1.086 3.977 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -13.069 -1.136 2.263 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.819 3.868 -1.008 1.00 0.58 N ATOM 1781 CA LEU A 181 -10.249 3.003 0.085 1.00 0.52 C ATOM 1782 C LEU A 181 -9.007 3.655 0.700 1.00 0.47 C ATOM 1783 O LEU A 181 -8.213 4.250 0.011 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.857 1.642 -0.502 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.958 1.130 -1.435 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.533 -0.211 -2.034 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -12.255 0.941 -0.642 1.00 0.87 C ATOM 0 HA LEU A 181 -11.004 2.880 0.861 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.919 1.731 -1.050 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.690 0.926 0.302 1.00 0.60 H new ATOM 0 HG LEU A 181 -11.121 1.854 -2.234 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.316 -0.577 -2.699 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.609 -0.081 -2.598 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -10.371 -0.932 -1.233 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -13.038 0.577 -1.307 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -12.091 0.217 0.157 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.560 1.894 -0.211 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.837 3.540 2.000 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.637 4.140 2.677 1.00 0.45 C ATOM 1801 C GLU A 182 -6.705 3.048 3.209 1.00 0.42 C ATOM 1802 O GLU A 182 -7.127 1.987 3.622 1.00 0.43 O ATOM 1803 CB GLU A 182 -8.099 5.021 3.841 1.00 0.49 C ATOM 1804 CG GLU A 182 -9.039 4.222 4.746 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.331 5.024 6.016 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -8.605 5.970 6.275 1.00 1.62 O ATOM 1807 OE2 GLU A 182 -10.275 4.677 6.708 1.00 1.49 O ATOM 0 H GLU A 182 -9.481 3.054 2.624 1.00 0.45 H new ATOM 0 HA GLU A 182 -7.091 4.737 1.947 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -7.238 5.369 4.411 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.609 5.906 3.461 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.968 4.003 4.220 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.586 3.265 5.004 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.426 3.329 3.199 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.416 2.352 3.698 1.00 0.38 C ATOM 1816 C TRP A 183 -4.427 2.357 5.234 1.00 0.37 C ATOM 1817 O TRP A 183 -4.022 3.317 5.859 1.00 0.43 O ATOM 1818 CB TRP A 183 -3.019 2.785 3.200 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.708 2.173 1.866 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.480 0.857 1.647 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.571 2.832 0.574 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.208 0.667 0.303 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.255 1.855 -0.401 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.690 4.170 0.159 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -2.060 2.196 -1.743 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.497 4.516 -1.190 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -2.182 3.530 -2.137 1.00 0.41 C ATOM 0 H TRP A 183 -5.035 4.208 2.860 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.650 1.352 3.333 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.977 3.872 3.124 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.262 2.487 3.926 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.506 0.082 2.398 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.999 -0.239 -0.116 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.931 4.936 0.881 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.817 1.434 -2.469 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.592 5.547 -1.499 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -2.034 3.803 -3.171 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.873 1.290 5.849 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.890 1.234 7.346 1.00 0.35 C ATOM 1840 C ARG A 184 -3.651 0.476 7.832 1.00 0.31 C ATOM 1841 O ARG A 184 -3.591 -0.737 7.783 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.152 0.508 7.822 1.00 0.40 C ATOM 1843 CG ARG A 184 -7.403 1.144 7.195 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.682 2.520 7.815 1.00 1.51 C ATOM 1845 NE ARG A 184 -7.637 2.425 9.302 1.00 1.57 N ATOM 1846 CZ ARG A 184 -7.558 3.509 10.024 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -7.528 4.679 9.446 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -7.512 3.424 11.325 1.00 2.61 N ATOM 0 H ARG A 184 -5.226 0.455 5.381 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.886 2.247 7.749 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.097 -0.546 7.551 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.218 0.555 8.909 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -7.264 1.246 6.119 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -8.263 0.491 7.345 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -6.944 3.242 7.466 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -8.659 2.882 7.494 1.00 1.51 H new ATOM 0 HE ARG A 184 -7.668 1.512 9.755 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -7.566 4.747 8.429 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -7.466 5.526 10.011 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -7.538 2.510 11.778 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -7.450 4.271 11.890 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.658 1.189 8.293 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.408 0.526 8.778 1.00 0.31 C ATOM 1864 C PHE A 185 -1.710 -0.286 10.049 1.00 0.31 C ATOM 1865 O PHE A 185 -2.436 0.150 10.920 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.359 1.621 9.061 1.00 0.40 C ATOM 1867 CG PHE A 185 0.706 1.139 10.030 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.419 1.059 11.399 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.980 0.791 9.562 1.00 0.62 C ATOM 1870 CE1 PHE A 185 1.402 0.627 12.297 1.00 0.75 C ATOM 1871 CE2 PHE A 185 2.964 0.363 10.462 1.00 0.74 C ATOM 1872 CZ PHE A 185 2.674 0.281 11.830 1.00 0.71 C ATOM 0 H PHE A 185 -2.657 2.207 8.356 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.021 -0.161 8.025 1.00 0.31 H new ATOM 0 HB2 PHE A 185 0.111 1.926 8.126 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.853 2.502 9.471 1.00 0.40 H new ATOM 0 HD1 PHE A 185 -0.561 1.331 11.762 1.00 0.65 H new ATOM 0 HD2 PHE A 185 2.203 0.853 8.507 1.00 0.62 H new ATOM 0 HE1 PHE A 185 1.178 0.561 13.351 1.00 0.75 H new ATOM 0 HE2 PHE A 185 3.946 0.096 10.101 1.00 0.74 H new ATOM 0 HZ PHE A 185 3.433 -0.049 12.524 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.158 -1.471 10.152 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.406 -2.322 11.348 1.00 0.32 C ATOM 1884 C ASP A 186 -0.240 -3.303 11.534 1.00 0.30 C ATOM 1885 O ASP A 186 -0.422 -4.503 11.485 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.694 -3.101 11.112 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.221 -3.650 12.439 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -3.216 -2.909 13.408 1.00 1.23 O ATOM 1889 OD2 ASP A 186 -3.619 -4.803 12.464 1.00 1.16 O ATOM 0 H ASP A 186 -0.543 -1.884 9.451 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.492 -1.704 12.242 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.442 -2.454 10.654 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.512 -3.920 10.416 1.00 0.37 H new ATOM 1894 N SER A 187 0.952 -2.794 11.733 1.00 0.33 N ATOM 1895 CA SER A 187 2.157 -3.673 11.910 1.00 0.34 C ATOM 1896 C SER A 187 1.835 -4.889 12.793 1.00 0.35 C ATOM 1897 O SER A 187 2.594 -5.839 12.843 1.00 0.37 O ATOM 1898 CB SER A 187 3.277 -2.857 12.561 1.00 0.40 C ATOM 1899 OG SER A 187 2.728 -2.040 13.587 1.00 1.32 O ATOM 0 H SER A 187 1.146 -1.794 11.781 1.00 0.33 H new ATOM 0 HA SER A 187 2.468 -4.036 10.931 1.00 0.34 H new ATOM 0 HB2 SER A 187 4.033 -3.523 12.976 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.773 -2.238 11.814 1.00 0.40 H new ATOM 0 HG SER A 187 2.331 -1.237 13.189 1.00 1.32 H new ATOM 1905 N ARG A 188 0.733 -4.880 13.489 1.00 0.40 N ATOM 1906 CA ARG A 188 0.399 -6.048 14.357 1.00 0.46 C ATOM 1907 C ARG A 188 0.210 -7.297 13.488 1.00 0.42 C ATOM 1908 O ARG A 188 0.503 -8.401 13.901 1.00 0.43 O ATOM 1909 CB ARG A 188 -0.895 -5.761 15.122 1.00 0.58 C ATOM 1910 CG ARG A 188 -0.690 -4.553 16.038 1.00 1.40 C ATOM 1911 CD ARG A 188 -2.048 -4.035 16.515 1.00 1.75 C ATOM 1912 NE ARG A 188 -2.735 -5.093 17.308 1.00 2.37 N ATOM 1913 CZ ARG A 188 -3.753 -4.784 18.063 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -4.172 -3.549 18.120 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -4.353 -5.709 18.761 1.00 3.87 N ATOM 0 H ARG A 188 0.052 -4.121 13.496 1.00 0.40 H new ATOM 0 HA ARG A 188 1.211 -6.217 15.064 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.708 -5.566 14.422 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -1.183 -6.632 15.710 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -0.075 -4.833 16.893 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -0.156 -3.766 15.505 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -1.914 -3.140 17.122 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -2.661 -3.751 15.660 1.00 1.75 H new ATOM 0 HE ARG A 188 -2.409 -6.058 17.261 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -3.703 -2.826 17.574 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -4.968 -3.307 18.710 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -4.026 -6.674 18.716 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -5.149 -5.467 19.351 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.272 -7.131 12.287 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.472 -8.304 11.390 1.00 0.46 C ATOM 1931 C LEU A 189 0.878 -8.961 11.105 1.00 0.41 C ATOM 1932 O LEU A 189 0.967 -9.917 10.361 1.00 0.46 O ATOM 1933 CB LEU A 189 -1.103 -7.848 10.072 1.00 0.57 C ATOM 1934 CG LEU A 189 -2.545 -7.371 10.310 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -3.090 -6.768 9.012 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -3.438 -8.551 10.752 1.00 1.78 C ATOM 0 H LEU A 189 -0.537 -6.231 11.887 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.134 -9.020 11.877 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -0.512 -7.041 9.638 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -1.098 -8.669 9.355 1.00 0.57 H new ATOM 0 HG LEU A 189 -2.549 -6.620 11.100 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -4.113 -6.427 9.171 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.468 -5.924 8.714 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -3.078 -7.524 8.226 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -4.455 -8.196 10.916 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -3.442 -9.316 9.975 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -3.048 -8.976 11.677 1.00 1.78 H new ATOM 1948 N ALA A 190 1.931 -8.462 11.692 1.00 0.37 N ATOM 1949 CA ALA A 190 3.266 -9.070 11.450 1.00 0.42 C ATOM 1950 C ALA A 190 3.329 -10.404 12.186 1.00 0.44 C ATOM 1951 O ALA A 190 4.341 -11.079 12.186 1.00 0.53 O ATOM 1952 CB ALA A 190 4.361 -8.139 11.979 1.00 0.47 C ATOM 0 H ALA A 190 1.923 -7.663 12.326 1.00 0.37 H new ATOM 0 HA ALA A 190 3.419 -9.223 10.382 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.338 -8.588 11.800 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.303 -7.180 11.465 1.00 0.47 H new ATOM 0 HB3 ALA A 190 4.223 -7.986 13.049 1.00 0.47 H new ATOM 1958 N PHE A 191 2.243 -10.789 12.811 1.00 0.42 N ATOM 1959 CA PHE A 191 2.207 -12.089 13.557 1.00 0.51 C ATOM 1960 C PHE A 191 0.955 -12.871 13.155 1.00 0.56 C ATOM 1961 O PHE A 191 1.037 -13.921 12.547 1.00 0.96 O ATOM 1962 CB PHE A 191 2.174 -11.810 15.061 1.00 0.58 C ATOM 1963 CG PHE A 191 3.439 -11.090 15.462 1.00 1.14 C ATOM 1964 CD1 PHE A 191 4.636 -11.803 15.605 1.00 1.81 C ATOM 1965 CD2 PHE A 191 3.418 -9.707 15.686 1.00 1.98 C ATOM 1966 CE1 PHE A 191 5.810 -11.135 15.973 1.00 2.75 C ATOM 1967 CE2 PHE A 191 4.592 -9.039 16.053 1.00 2.87 C ATOM 1968 CZ PHE A 191 5.788 -9.753 16.197 1.00 3.15 C ATOM 0 H PHE A 191 1.374 -10.256 12.837 1.00 0.42 H new ATOM 0 HA PHE A 191 3.094 -12.674 13.315 1.00 0.51 H new ATOM 0 HB2 PHE A 191 1.302 -11.205 15.311 1.00 0.58 H new ATOM 0 HB3 PHE A 191 2.083 -12.745 15.614 1.00 0.58 H new ATOM 0 HD1 PHE A 191 4.653 -12.869 15.431 1.00 1.81 H new ATOM 0 HD2 PHE A 191 2.496 -9.156 15.575 1.00 1.98 H new ATOM 0 HE1 PHE A 191 6.732 -11.686 16.084 1.00 2.75 H new ATOM 0 HE2 PHE A 191 4.575 -7.973 16.225 1.00 2.87 H new ATOM 0 HZ PHE A 191 6.694 -9.238 16.481 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.204 -12.371 13.483 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.455 -13.092 13.113 1.00 0.72 C ATOM 1980 C HIS A 192 -1.707 -12.934 11.612 1.00 0.67 C ATOM 1981 O HIS A 192 -1.083 -12.130 10.949 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.634 -12.505 13.893 1.00 1.01 C ATOM 1983 CG HIS A 192 -2.433 -12.753 15.362 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -2.392 -11.721 16.287 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -2.260 -13.908 16.082 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -2.200 -12.271 17.499 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -2.113 -13.603 17.432 1.00 3.35 N ATOM 0 H HIS A 192 -0.339 -11.496 13.990 1.00 0.64 H new ATOM 0 HA HIS A 192 -1.351 -14.149 13.356 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.715 -11.435 13.701 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -3.567 -12.960 13.560 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -2.241 -14.904 15.664 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -2.125 -11.705 18.416 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -1.970 -14.255 18.203 1.00 3.35 H new ATOM 1995 N HIS A 193 -2.623 -13.697 11.072 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.933 -13.600 9.612 1.00 0.85 C ATOM 1997 C HIS A 193 -4.446 -13.706 9.416 1.00 0.74 C ATOM 1998 O HIS A 193 -5.016 -14.778 9.458 1.00 0.78 O ATOM 1999 CB HIS A 193 -2.236 -14.738 8.861 1.00 1.28 C ATOM 2000 CG HIS A 193 -2.433 -16.034 9.601 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -3.195 -16.119 10.756 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -1.971 -17.305 9.363 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -3.169 -17.401 11.165 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -2.437 -18.166 10.351 1.00 3.87 N ATOM 0 H HIS A 193 -3.173 -14.388 11.583 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.577 -12.646 9.223 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -2.639 -14.820 7.852 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -1.172 -14.523 8.763 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -1.341 -17.593 8.534 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -3.678 -17.767 12.044 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -2.258 -19.167 10.436 1.00 3.87 H new ATOM 2012 N MET A 194 -5.102 -12.596 9.212 1.00 0.73 N ATOM 2013 CA MET A 194 -6.579 -12.622 9.025 1.00 0.79 C ATOM 2014 C MET A 194 -6.917 -13.027 7.588 1.00 0.75 C ATOM 2015 O MET A 194 -7.814 -13.812 7.354 1.00 0.90 O ATOM 2016 CB MET A 194 -7.149 -11.230 9.305 1.00 0.91 C ATOM 2017 CG MET A 194 -6.645 -10.733 10.661 1.00 1.47 C ATOM 2018 SD MET A 194 -7.419 -9.143 11.046 1.00 2.35 S ATOM 2019 CE MET A 194 -7.453 -9.337 12.844 1.00 2.94 C ATOM 0 H MET A 194 -4.676 -11.670 9.167 1.00 0.73 H new ATOM 0 HA MET A 194 -7.015 -13.346 9.714 1.00 0.79 H new ATOM 0 HB2 MET A 194 -6.849 -10.538 8.518 1.00 0.91 H new ATOM 0 HB3 MET A 194 -8.238 -11.264 9.301 1.00 0.91 H new ATOM 0 HG2 MET A 194 -6.880 -11.461 11.437 1.00 1.47 H new ATOM 0 HG3 MET A 194 -5.560 -10.626 10.641 1.00 1.47 H new ATOM 0 HE1 MET A 194 -7.900 -8.452 13.297 1.00 2.94 H new ATOM 0 HE2 MET A 194 -8.043 -10.216 13.104 1.00 2.94 H new ATOM 0 HE3 MET A 194 -6.436 -9.460 13.216 1.00 2.94 H new ATOM 2029 N ALA A 195 -6.212 -12.495 6.625 1.00 0.66 N ATOM 2030 CA ALA A 195 -6.503 -12.843 5.203 1.00 0.76 C ATOM 2031 C ALA A 195 -6.666 -14.360 5.064 1.00 0.90 C ATOM 2032 O ALA A 195 -7.373 -14.842 4.199 1.00 1.11 O ATOM 2033 CB ALA A 195 -5.347 -12.373 4.318 1.00 0.82 C ATOM 0 H ALA A 195 -5.447 -11.834 6.762 1.00 0.66 H new ATOM 0 HA ALA A 195 -7.425 -12.352 4.893 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -5.558 -12.626 3.279 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -5.232 -11.293 4.412 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -4.426 -12.864 4.631 1.00 0.82 H new