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 144 LYS NZ :NH3+ -135:sc= -2.23 (180deg=-4.17!) USER MOD Set 1.2: A 194 MET CE :methyl -160:sc= -0.0754 (180deg=-0.598) USER MOD Set 2.1: A 117 THR OG1 : rot 29:sc= -0.428 USER MOD Set 2.2: A 118 GLN :FLIP amide:sc= -2.61! C(o=-8!,f=-3!) USER MOD Set 3.1: A 88 SER OG : rot 73:sc= -4.37! USER MOD Set 3.2: A 89 HIS : no HD1:sc= -4.19! C(o=-11!,f=-18!) USER MOD Set 3.3: A 142 CYS SG : rot -150:sc= -2.7 USER MOD Single : A 79 MET CE :methyl 140:sc= 0 (180deg=-0.03) USER MOD Single : A 80 THR OG1 : rot -170:sc= -1.22! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 162:sc= -0.0122 (180deg=-0.341) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -151:sc= 0.0176 (180deg=-1.86!) USER MOD Single : A 102 HIS : no HE2:sc= -1.25 K(o=-1.2,f=-3.5!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HE2:sc= -0.396 K(o=-0.4,f=-1.9) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -2.47 K(o=-2.5,f=-6) USER MOD Single : A 126 ASN :FLIP amide:sc= -3.51! C(o=-5.3!,f=-3.5!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 105:sc= -0.358 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -126:sc= 1.1 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 187 SER OG : rot 180:sc=-0.00598 USER MOD Single : A 192 HIS : no HD1:sc= -2.06 X(o=-2.1,f=-1.6) USER MOD Single : A 193 HIS : no HD1:sc= -0.296 K(o=-0.3,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 18.796 -0.584 -8.678 1.00 1.04 N ATOM 275 CA VAL A 74 19.962 -1.300 -8.078 1.00 0.93 C ATOM 276 C VAL A 74 19.720 -2.809 -8.208 1.00 0.86 C ATOM 277 O VAL A 74 18.588 -3.241 -8.282 1.00 0.89 O ATOM 278 CB VAL A 74 20.056 -0.930 -6.594 1.00 1.09 C ATOM 279 CG1 VAL A 74 20.598 0.495 -6.444 1.00 1.17 C ATOM 280 CG2 VAL A 74 18.663 -1.014 -5.962 1.00 1.38 C ATOM 0 HA VAL A 74 20.886 -1.023 -8.586 1.00 0.93 H new ATOM 0 HB VAL A 74 20.731 -1.624 -6.093 1.00 1.09 H new ATOM 0 HG11 VAL A 74 20.662 0.751 -5.386 1.00 1.17 H new ATOM 0 HG12 VAL A 74 21.590 0.556 -6.893 1.00 1.17 H new ATOM 0 HG13 VAL A 74 19.929 1.194 -6.946 1.00 1.17 H new ATOM 0 HG21 VAL A 74 18.726 -0.751 -4.906 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.991 -0.321 -6.469 1.00 1.38 H new ATOM 0 HG23 VAL A 74 18.279 -2.029 -6.061 1.00 1.38 H new ATOM 290 N PRO A 75 20.760 -3.612 -8.228 1.00 0.93 N ATOM 291 CA PRO A 75 20.621 -5.090 -8.336 1.00 1.00 C ATOM 292 C PRO A 75 19.388 -5.609 -7.585 1.00 0.88 C ATOM 293 O PRO A 75 19.037 -5.114 -6.533 1.00 0.84 O ATOM 294 CB PRO A 75 21.914 -5.595 -7.700 1.00 1.18 C ATOM 295 CG PRO A 75 22.936 -4.559 -8.061 1.00 1.37 C ATOM 296 CD PRO A 75 22.183 -3.216 -8.156 1.00 1.13 C ATOM 0 HA PRO A 75 20.478 -5.430 -9.362 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.813 -5.694 -6.619 1.00 1.18 H new ATOM 0 HB3 PRO A 75 22.190 -6.577 -8.086 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.722 -4.511 -7.308 1.00 1.37 H new ATOM 0 HG3 PRO A 75 23.417 -4.802 -9.008 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.379 -2.586 -7.289 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.485 -2.650 -9.037 1.00 1.13 H new ATOM 304 N LEU A 76 18.721 -6.589 -8.128 1.00 0.86 N ATOM 305 CA LEU A 76 17.501 -7.126 -7.459 1.00 0.77 C ATOM 306 C LEU A 76 17.864 -7.701 -6.086 1.00 0.77 C ATOM 307 O LEU A 76 18.364 -8.802 -5.973 1.00 0.85 O ATOM 308 CB LEU A 76 16.885 -8.232 -8.326 1.00 0.84 C ATOM 309 CG LEU A 76 16.390 -7.649 -9.660 1.00 0.87 C ATOM 310 CD1 LEU A 76 16.021 -8.797 -10.611 1.00 1.01 C ATOM 311 CD2 LEU A 76 15.153 -6.756 -9.431 1.00 0.76 C ATOM 0 H LEU A 76 18.968 -7.043 -9.008 1.00 0.86 H new ATOM 0 HA LEU A 76 16.782 -6.317 -7.330 1.00 0.77 H new ATOM 0 HB2 LEU A 76 17.624 -9.011 -8.513 1.00 0.84 H new ATOM 0 HB3 LEU A 76 16.056 -8.700 -7.796 1.00 0.84 H new ATOM 0 HG LEU A 76 17.185 -7.045 -10.098 1.00 0.87 H new ATOM 0 HD11 LEU A 76 15.670 -8.387 -11.558 1.00 1.01 H new ATOM 0 HD12 LEU A 76 16.898 -9.419 -10.788 1.00 1.01 H new ATOM 0 HD13 LEU A 76 15.233 -9.402 -10.163 1.00 1.01 H new ATOM 0 HD21 LEU A 76 14.815 -6.351 -10.385 1.00 0.76 H new ATOM 0 HD22 LEU A 76 14.354 -7.348 -8.985 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.415 -5.937 -8.761 1.00 0.76 H new ATOM 323 N ARG A 77 17.599 -6.965 -5.037 1.00 0.74 N ATOM 324 CA ARG A 77 17.912 -7.474 -3.670 1.00 0.79 C ATOM 325 C ARG A 77 16.808 -8.467 -3.250 1.00 0.71 C ATOM 326 O ARG A 77 15.659 -8.088 -3.151 1.00 0.73 O ATOM 327 CB ARG A 77 17.930 -6.302 -2.681 1.00 0.85 C ATOM 328 CG ARG A 77 18.909 -5.224 -3.160 1.00 1.19 C ATOM 329 CD ARG A 77 19.232 -4.267 -2.006 1.00 1.52 C ATOM 330 NE ARG A 77 19.793 -2.997 -2.551 1.00 2.13 N ATOM 331 CZ ARG A 77 19.858 -1.933 -1.796 1.00 2.66 C ATOM 332 NH1 ARG A 77 19.442 -1.981 -0.560 1.00 2.73 N ATOM 333 NH2 ARG A 77 20.340 -0.820 -2.278 1.00 3.61 N ATOM 0 H ARG A 77 17.180 -6.035 -5.069 1.00 0.74 H new ATOM 0 HA ARG A 77 18.885 -7.966 -3.671 1.00 0.79 H new ATOM 0 HB2 ARG A 77 16.929 -5.880 -2.587 1.00 0.85 H new ATOM 0 HB3 ARG A 77 18.221 -6.655 -1.692 1.00 0.85 H new ATOM 0 HG2 ARG A 77 19.824 -5.688 -3.527 1.00 1.19 H new ATOM 0 HG3 ARG A 77 18.476 -4.671 -3.993 1.00 1.19 H new ATOM 0 HD2 ARG A 77 18.331 -4.060 -1.429 1.00 1.52 H new ATOM 0 HD3 ARG A 77 19.947 -4.730 -1.326 1.00 1.52 H new ATOM 0 HE ARG A 77 20.126 -2.959 -3.514 1.00 2.13 H new ATOM 0 HH11 ARG A 77 19.065 -2.850 -0.182 1.00 2.73 H new ATOM 0 HH12 ARG A 77 19.494 -1.149 0.028 1.00 2.73 H new ATOM 0 HH21 ARG A 77 20.666 -0.781 -3.244 1.00 3.61 H new ATOM 0 HH22 ARG A 77 20.391 0.011 -1.689 1.00 3.61 H new ATOM 347 N PRO A 78 17.124 -9.723 -3.007 1.00 0.79 N ATOM 348 CA PRO A 78 16.098 -10.730 -2.601 1.00 0.76 C ATOM 349 C PRO A 78 15.097 -10.171 -1.579 1.00 0.67 C ATOM 350 O PRO A 78 15.412 -9.995 -0.419 1.00 0.69 O ATOM 351 CB PRO A 78 16.936 -11.855 -1.989 1.00 0.86 C ATOM 352 CG PRO A 78 18.230 -11.809 -2.737 1.00 1.18 C ATOM 353 CD PRO A 78 18.469 -10.332 -3.084 1.00 1.06 C ATOM 0 HA PRO A 78 15.481 -11.051 -3.441 1.00 0.76 H new ATOM 0 HB2 PRO A 78 17.089 -11.700 -0.921 1.00 0.86 H new ATOM 0 HB3 PRO A 78 16.446 -12.822 -2.103 1.00 0.86 H new ATOM 0 HG2 PRO A 78 19.045 -12.204 -2.130 1.00 1.18 H new ATOM 0 HG3 PRO A 78 18.180 -12.418 -3.639 1.00 1.18 H new ATOM 0 HD2 PRO A 78 19.160 -9.864 -2.382 1.00 1.06 H new ATOM 0 HD3 PRO A 78 18.901 -10.221 -4.079 1.00 1.06 H new ATOM 361 N MET A 79 13.894 -9.895 -2.004 1.00 0.65 N ATOM 362 CA MET A 79 12.871 -9.352 -1.062 1.00 0.61 C ATOM 363 C MET A 79 12.520 -10.417 -0.020 1.00 0.51 C ATOM 364 O MET A 79 11.954 -11.445 -0.338 1.00 0.56 O ATOM 365 CB MET A 79 11.610 -8.968 -1.844 1.00 0.66 C ATOM 366 CG MET A 79 10.662 -8.165 -0.944 1.00 0.74 C ATOM 367 SD MET A 79 11.190 -6.435 -0.905 1.00 1.25 S ATOM 368 CE MET A 79 9.622 -5.728 -0.341 1.00 0.83 C ATOM 0 H MET A 79 13.574 -10.022 -2.964 1.00 0.65 H new ATOM 0 HA MET A 79 13.271 -8.471 -0.560 1.00 0.61 H new ATOM 0 HB2 MET A 79 11.880 -8.378 -2.720 1.00 0.66 H new ATOM 0 HB3 MET A 79 11.109 -9.866 -2.206 1.00 0.66 H new ATOM 0 HG2 MET A 79 9.641 -8.236 -1.318 1.00 0.74 H new ATOM 0 HG3 MET A 79 10.662 -8.579 0.064 1.00 0.74 H new ATOM 0 HE1 MET A 79 9.819 -4.940 0.385 1.00 0.83 H new ATOM 0 HE2 MET A 79 9.084 -5.311 -1.192 1.00 0.83 H new ATOM 0 HE3 MET A 79 9.018 -6.507 0.124 1.00 0.83 H new ATOM 378 N THR A 80 12.855 -10.185 1.222 1.00 0.56 N ATOM 379 CA THR A 80 12.544 -11.188 2.288 1.00 0.60 C ATOM 380 C THR A 80 11.187 -10.903 2.906 1.00 0.56 C ATOM 381 O THR A 80 10.779 -9.768 3.033 1.00 0.50 O ATOM 382 CB THR A 80 13.618 -11.130 3.380 1.00 0.77 C ATOM 383 OG1 THR A 80 13.349 -10.044 4.254 1.00 0.94 O ATOM 384 CG2 THR A 80 14.994 -10.942 2.739 1.00 0.73 C ATOM 0 H THR A 80 13.331 -9.343 1.547 1.00 0.56 H new ATOM 0 HA THR A 80 12.528 -12.180 1.837 1.00 0.60 H new ATOM 0 HB THR A 80 13.608 -12.062 3.946 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.113 -9.909 4.853 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.756 -10.901 3.518 1.00 0.73 H new ATOM 0 HG22 THR A 80 15.202 -11.778 2.072 1.00 0.73 H new ATOM 0 HG23 THR A 80 15.006 -10.012 2.170 1.00 0.73 H new ATOM 392 N TYR A 81 10.487 -11.927 3.332 1.00 0.61 N ATOM 393 CA TYR A 81 9.173 -11.694 3.991 1.00 0.60 C ATOM 394 C TYR A 81 9.453 -10.678 5.095 1.00 0.51 C ATOM 395 O TYR A 81 8.746 -9.708 5.278 1.00 0.45 O ATOM 396 CB TYR A 81 8.637 -13.041 4.551 1.00 0.69 C ATOM 397 CG TYR A 81 8.492 -13.013 6.065 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.409 -12.346 6.654 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.441 -13.655 6.872 1.00 0.71 C ATOM 400 CE1 TYR A 81 7.276 -12.322 8.047 1.00 0.66 C ATOM 401 CE2 TYR A 81 9.307 -13.630 8.266 1.00 0.77 C ATOM 402 CZ TYR A 81 8.224 -12.964 8.853 1.00 0.73 C ATOM 403 OH TYR A 81 8.093 -12.940 10.226 1.00 0.90 O ATOM 0 H TYR A 81 10.769 -12.904 3.251 1.00 0.61 H new ATOM 0 HA TYR A 81 8.409 -11.315 3.312 1.00 0.60 H new ATOM 0 HB2 TYR A 81 7.670 -13.262 4.099 1.00 0.69 H new ATOM 0 HB3 TYR A 81 9.314 -13.847 4.267 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.677 -11.851 6.033 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.276 -14.169 6.419 1.00 0.71 H new ATOM 0 HE1 TYR A 81 6.442 -11.808 8.501 1.00 0.66 H new ATOM 0 HE2 TYR A 81 10.039 -14.124 8.888 1.00 0.77 H new ATOM 0 HH TYR A 81 8.835 -13.434 10.634 1.00 0.90 H new ATOM 413 N LYS A 82 10.533 -10.895 5.790 1.00 0.52 N ATOM 414 CA LYS A 82 10.943 -9.949 6.846 1.00 0.48 C ATOM 415 C LYS A 82 11.160 -8.584 6.194 1.00 0.40 C ATOM 416 O LYS A 82 10.962 -7.557 6.811 1.00 0.38 O ATOM 417 CB LYS A 82 12.250 -10.430 7.490 1.00 0.55 C ATOM 418 CG LYS A 82 12.503 -9.673 8.810 1.00 0.60 C ATOM 419 CD LYS A 82 11.781 -10.373 9.969 1.00 0.92 C ATOM 420 CE LYS A 82 12.074 -9.633 11.273 1.00 1.49 C ATOM 421 NZ LYS A 82 11.434 -8.289 11.232 1.00 2.32 N ATOM 0 H LYS A 82 11.151 -11.697 5.665 1.00 0.52 H new ATOM 0 HA LYS A 82 10.177 -9.883 7.619 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.197 -11.502 7.681 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.082 -10.269 6.805 1.00 0.55 H new ATOM 0 HG2 LYS A 82 13.573 -9.628 9.013 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.152 -8.645 8.721 1.00 0.60 H new ATOM 0 HD2 LYS A 82 10.707 -10.393 9.783 1.00 0.92 H new ATOM 0 HD3 LYS A 82 12.111 -11.409 10.044 1.00 0.92 H new ATOM 0 HE2 LYS A 82 11.695 -10.203 12.121 1.00 1.49 H new ATOM 0 HE3 LYS A 82 13.150 -9.532 11.413 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 11.363 -7.909 12.197 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 12.009 -7.648 10.649 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 10.482 -8.370 10.821 1.00 2.32 H new ATOM 435 N ALA A 83 11.560 -8.555 4.940 1.00 0.42 N ATOM 436 CA ALA A 83 11.767 -7.230 4.285 1.00 0.41 C ATOM 437 C ALA A 83 10.428 -6.488 4.230 1.00 0.35 C ATOM 438 O ALA A 83 10.367 -5.285 4.372 1.00 0.34 O ATOM 439 CB ALA A 83 12.309 -7.421 2.864 1.00 0.52 C ATOM 0 H ALA A 83 11.747 -9.372 4.359 1.00 0.42 H new ATOM 0 HA ALA A 83 12.490 -6.651 4.860 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.456 -6.447 2.397 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.261 -7.951 2.906 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.596 -8.001 2.278 1.00 0.52 H new ATOM 445 N ALA A 84 9.356 -7.203 4.024 1.00 0.34 N ATOM 446 CA ALA A 84 8.018 -6.550 3.960 1.00 0.31 C ATOM 447 C ALA A 84 7.680 -5.921 5.315 1.00 0.28 C ATOM 448 O ALA A 84 7.289 -4.773 5.395 1.00 0.28 O ATOM 449 CB ALA A 84 6.961 -7.599 3.609 1.00 0.34 C ATOM 0 H ALA A 84 9.349 -8.215 3.897 1.00 0.34 H new ATOM 0 HA ALA A 84 8.033 -5.771 3.198 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.980 -7.126 3.561 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.197 -8.044 2.642 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.952 -8.376 4.373 1.00 0.34 H new ATOM 455 N VAL A 85 7.817 -6.663 6.381 1.00 0.29 N ATOM 456 CA VAL A 85 7.490 -6.100 7.723 1.00 0.29 C ATOM 457 C VAL A 85 8.439 -4.944 8.036 1.00 0.29 C ATOM 458 O VAL A 85 8.024 -3.897 8.491 1.00 0.30 O ATOM 459 CB VAL A 85 7.627 -7.197 8.792 1.00 0.33 C ATOM 460 CG1 VAL A 85 6.836 -6.809 10.046 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.074 -8.512 8.245 1.00 0.38 C ATOM 0 H VAL A 85 8.140 -7.631 6.381 1.00 0.29 H new ATOM 0 HA VAL A 85 6.464 -5.731 7.723 1.00 0.29 H new ATOM 0 HB VAL A 85 8.680 -7.312 9.048 1.00 0.33 H new ATOM 0 HG11 VAL A 85 6.939 -7.592 10.798 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.222 -5.871 10.444 1.00 0.37 H new ATOM 0 HG13 VAL A 85 5.784 -6.688 9.789 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.171 -9.290 9.002 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.023 -8.385 7.987 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.634 -8.800 7.355 1.00 0.38 H new ATOM 471 N ASP A 86 9.705 -5.113 7.783 1.00 0.30 N ATOM 472 CA ASP A 86 10.656 -4.003 8.056 1.00 0.32 C ATOM 473 C ASP A 86 10.269 -2.818 7.174 1.00 0.30 C ATOM 474 O ASP A 86 10.217 -1.688 7.614 1.00 0.31 O ATOM 475 CB ASP A 86 12.084 -4.454 7.722 1.00 0.36 C ATOM 476 CG ASP A 86 12.638 -5.303 8.868 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.532 -4.871 10.004 1.00 1.05 O ATOM 478 OD2 ASP A 86 13.159 -6.370 8.590 1.00 1.23 O ATOM 0 H ASP A 86 10.120 -5.964 7.402 1.00 0.30 H new ATOM 0 HA ASP A 86 10.615 -3.719 9.108 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.087 -5.029 6.796 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.721 -3.585 7.559 1.00 0.36 H new ATOM 483 N LEU A 87 9.982 -3.077 5.928 1.00 0.29 N ATOM 484 CA LEU A 87 9.583 -1.979 5.009 1.00 0.30 C ATOM 485 C LEU A 87 8.302 -1.320 5.525 1.00 0.29 C ATOM 486 O LEU A 87 8.171 -0.112 5.513 1.00 0.30 O ATOM 487 CB LEU A 87 9.335 -2.554 3.611 1.00 0.33 C ATOM 488 CG LEU A 87 9.103 -1.416 2.600 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.413 -0.643 2.347 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.593 -2.007 1.276 1.00 0.44 C ATOM 0 H LEU A 87 10.007 -4.006 5.507 1.00 0.29 H new ATOM 0 HA LEU A 87 10.378 -1.235 4.962 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.189 -3.157 3.301 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.469 -3.215 3.630 1.00 0.33 H new ATOM 0 HG LEU A 87 8.363 -0.727 3.008 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.230 0.158 1.630 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.770 -0.216 3.284 1.00 0.52 H new ATOM 0 HD13 LEU A 87 11.165 -1.323 1.948 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.428 -1.203 0.558 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.333 -2.702 0.879 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.656 -2.536 1.451 1.00 0.44 H new ATOM 502 N SER A 88 7.348 -2.097 5.973 1.00 0.30 N ATOM 503 CA SER A 88 6.084 -1.489 6.474 1.00 0.34 C ATOM 504 C SER A 88 6.408 -0.422 7.522 1.00 0.33 C ATOM 505 O SER A 88 5.861 0.663 7.503 1.00 0.36 O ATOM 506 CB SER A 88 5.203 -2.570 7.099 1.00 0.40 C ATOM 507 OG SER A 88 5.825 -3.062 8.277 1.00 0.44 O ATOM 0 H SER A 88 7.391 -3.115 6.012 1.00 0.30 H new ATOM 0 HA SER A 88 5.552 -1.029 5.641 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.221 -2.162 7.336 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.047 -3.383 6.390 1.00 0.40 H new ATOM 0 HG SER A 88 5.758 -2.390 8.987 1.00 0.44 H new ATOM 513 N HIS A 89 7.289 -0.718 8.438 1.00 0.34 N ATOM 514 CA HIS A 89 7.639 0.285 9.483 1.00 0.36 C ATOM 515 C HIS A 89 8.495 1.393 8.871 1.00 0.36 C ATOM 516 O HIS A 89 8.387 2.546 9.239 1.00 0.41 O ATOM 517 CB HIS A 89 8.419 -0.392 10.614 1.00 0.41 C ATOM 518 CG HIS A 89 7.783 -1.709 10.955 1.00 0.52 C ATOM 519 ND1 HIS A 89 6.601 -2.136 10.369 1.00 1.43 N ATOM 520 CD2 HIS A 89 8.154 -2.708 11.820 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.308 -3.344 10.884 1.00 1.27 C ATOM 522 NE2 HIS A 89 7.222 -3.738 11.775 1.00 0.82 N ATOM 0 H HIS A 89 7.781 -1.609 8.508 1.00 0.34 H new ATOM 0 HA HIS A 89 6.720 0.714 9.883 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.455 -0.546 10.312 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.435 0.252 11.493 1.00 0.41 H new ATOM 0 HD2 HIS A 89 9.037 -2.696 12.442 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.439 -3.925 10.610 1.00 1.27 H new ATOM 0 HE2 HIS A 89 7.233 -4.608 12.308 1.00 0.82 H new ATOM 530 N PHE A 90 9.347 1.059 7.942 1.00 0.34 N ATOM 531 CA PHE A 90 10.202 2.105 7.324 1.00 0.37 C ATOM 532 C PHE A 90 9.299 3.210 6.773 1.00 0.40 C ATOM 533 O PHE A 90 9.392 4.357 7.163 1.00 0.47 O ATOM 534 CB PHE A 90 11.025 1.484 6.185 1.00 0.38 C ATOM 535 CG PHE A 90 12.211 2.368 5.867 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.272 2.461 6.775 1.00 0.57 C ATOM 537 CD2 PHE A 90 12.250 3.093 4.669 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.371 3.278 6.487 1.00 0.69 C ATOM 539 CE2 PHE A 90 13.350 3.908 4.380 1.00 0.70 C ATOM 540 CZ PHE A 90 14.410 4.002 5.290 1.00 0.72 C ATOM 0 H PHE A 90 9.486 0.113 7.587 1.00 0.34 H new ATOM 0 HA PHE A 90 10.883 2.522 8.065 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.368 0.490 6.472 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.402 1.363 5.299 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.243 1.902 7.699 1.00 0.57 H new ATOM 0 HD2 PHE A 90 11.431 3.023 3.968 1.00 0.59 H new ATOM 0 HE1 PHE A 90 15.189 3.350 7.188 1.00 0.69 H new ATOM 0 HE2 PHE A 90 13.381 4.465 3.455 1.00 0.70 H new ATOM 0 HZ PHE A 90 15.258 4.633 5.068 1.00 0.72 H new ATOM 550 N LEU A 91 8.420 2.866 5.875 1.00 0.37 N ATOM 551 CA LEU A 91 7.500 3.885 5.302 1.00 0.42 C ATOM 552 C LEU A 91 6.620 4.472 6.410 1.00 0.47 C ATOM 553 O LEU A 91 6.156 5.589 6.316 1.00 0.57 O ATOM 554 CB LEU A 91 6.618 3.229 4.235 1.00 0.41 C ATOM 555 CG LEU A 91 7.485 2.762 3.055 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.638 1.899 2.115 1.00 0.42 C ATOM 557 CD2 LEU A 91 8.043 3.977 2.284 1.00 0.54 C ATOM 0 H LEU A 91 8.299 1.920 5.512 1.00 0.37 H new ATOM 0 HA LEU A 91 8.084 4.687 4.850 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.084 2.381 4.663 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.866 3.937 3.887 1.00 0.41 H new ATOM 0 HG LEU A 91 8.322 2.178 3.438 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.250 1.566 1.277 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.262 1.031 2.657 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.798 2.485 1.741 1.00 0.42 H new ATOM 0 HD21 LEU A 91 8.655 3.630 1.451 1.00 0.54 H new ATOM 0 HD22 LEU A 91 7.217 4.576 1.902 1.00 0.54 H new ATOM 0 HD23 LEU A 91 8.652 4.584 2.953 1.00 0.54 H new ATOM 569 N LYS A 92 6.379 3.734 7.462 1.00 0.45 N ATOM 570 CA LYS A 92 5.522 4.274 8.554 1.00 0.53 C ATOM 571 C LYS A 92 6.203 5.485 9.204 1.00 0.63 C ATOM 572 O LYS A 92 5.549 6.356 9.743 1.00 0.85 O ATOM 573 CB LYS A 92 5.293 3.191 9.613 1.00 0.54 C ATOM 574 CG LYS A 92 4.178 3.637 10.563 1.00 0.73 C ATOM 575 CD LYS A 92 4.210 2.789 11.836 1.00 1.20 C ATOM 576 CE LYS A 92 3.137 3.290 12.803 1.00 1.61 C ATOM 577 NZ LYS A 92 3.312 2.634 14.127 1.00 2.27 N ATOM 0 H LYS A 92 6.735 2.790 7.610 1.00 0.45 H new ATOM 0 HA LYS A 92 4.565 4.582 8.134 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.023 2.250 9.134 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.212 3.013 10.171 1.00 0.54 H new ATOM 0 HG2 LYS A 92 4.302 4.690 10.814 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.209 3.537 10.073 1.00 0.73 H new ATOM 0 HD2 LYS A 92 4.036 1.741 11.593 1.00 1.20 H new ATOM 0 HD3 LYS A 92 5.193 2.849 12.302 1.00 1.20 H new ATOM 0 HE2 LYS A 92 3.207 4.372 12.910 1.00 1.61 H new ATOM 0 HE3 LYS A 92 2.145 3.072 12.406 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 2.581 2.976 14.783 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 3.225 1.603 14.018 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 4.253 2.863 14.506 1.00 2.27 H new ATOM 591 N GLU A 93 7.506 5.553 9.163 1.00 0.62 N ATOM 592 CA GLU A 93 8.206 6.706 9.786 1.00 0.76 C ATOM 593 C GLU A 93 8.019 7.956 8.924 1.00 0.77 C ATOM 594 O GLU A 93 7.156 8.775 9.171 1.00 1.05 O ATOM 595 CB GLU A 93 9.698 6.393 9.908 1.00 0.94 C ATOM 596 CG GLU A 93 9.910 5.311 10.971 1.00 1.22 C ATOM 597 CD GLU A 93 11.408 5.041 11.132 1.00 2.00 C ATOM 598 OE1 GLU A 93 12.072 4.869 10.122 1.00 2.54 O ATOM 599 OE2 GLU A 93 11.865 5.013 12.262 1.00 2.73 O ATOM 0 H GLU A 93 8.113 4.860 8.725 1.00 0.62 H new ATOM 0 HA GLU A 93 7.787 6.885 10.776 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.089 6.056 8.948 1.00 0.94 H new ATOM 0 HB3 GLU A 93 10.248 7.295 10.177 1.00 0.94 H new ATOM 0 HG2 GLU A 93 9.483 5.631 11.921 1.00 1.22 H new ATOM 0 HG3 GLU A 93 9.394 4.396 10.682 1.00 1.22 H new ATOM 606 N LYS A 94 8.838 8.108 7.923 1.00 0.80 N ATOM 607 CA LYS A 94 8.739 9.308 7.038 1.00 1.02 C ATOM 608 C LYS A 94 7.658 9.105 5.970 1.00 0.96 C ATOM 609 O LYS A 94 6.937 10.020 5.626 1.00 1.41 O ATOM 610 CB LYS A 94 10.090 9.551 6.355 1.00 1.39 C ATOM 611 CG LYS A 94 10.472 8.333 5.514 1.00 1.63 C ATOM 612 CD LYS A 94 11.914 8.485 5.022 1.00 2.18 C ATOM 613 CE LYS A 94 12.190 7.459 3.922 1.00 2.61 C ATOM 614 NZ LYS A 94 11.617 6.142 4.317 1.00 2.96 N ATOM 0 H LYS A 94 9.577 7.450 7.676 1.00 0.80 H new ATOM 0 HA LYS A 94 8.470 10.170 7.648 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.034 10.437 5.723 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.858 9.742 7.105 1.00 1.39 H new ATOM 0 HG2 LYS A 94 10.372 7.423 6.106 1.00 1.63 H new ATOM 0 HG3 LYS A 94 9.795 8.237 4.665 1.00 1.63 H new ATOM 0 HD2 LYS A 94 12.075 9.494 4.642 1.00 2.18 H new ATOM 0 HD3 LYS A 94 12.609 8.342 5.850 1.00 2.18 H new ATOM 0 HE2 LYS A 94 11.751 7.791 2.981 1.00 2.61 H new ATOM 0 HE3 LYS A 94 13.263 7.366 3.757 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 12.174 5.377 3.885 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 11.644 6.048 5.352 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 10.632 6.080 3.989 1.00 2.96 H new ATOM 628 N GLY A 95 7.553 7.922 5.430 1.00 1.12 N ATOM 629 CA GLY A 95 6.535 7.668 4.368 1.00 1.51 C ATOM 630 C GLY A 95 5.182 8.271 4.765 1.00 1.10 C ATOM 631 O GLY A 95 4.792 9.312 4.276 1.00 1.71 O ATOM 0 H GLY A 95 8.129 7.118 5.678 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.869 8.100 3.425 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.428 6.595 4.207 1.00 1.51 H new ATOM 635 N GLY A 96 4.461 7.625 5.643 1.00 1.17 N ATOM 636 CA GLY A 96 3.131 8.161 6.061 1.00 0.99 C ATOM 637 C GLY A 96 2.047 7.666 5.097 1.00 0.81 C ATOM 638 O GLY A 96 1.209 8.422 4.648 1.00 0.83 O ATOM 0 H GLY A 96 4.735 6.750 6.089 1.00 1.17 H new ATOM 0 HA2 GLY A 96 2.902 7.839 7.077 1.00 0.99 H new ATOM 0 HA3 GLY A 96 3.154 9.251 6.069 1.00 0.99 H new ATOM 642 N LEU A 97 2.052 6.397 4.782 1.00 0.67 N ATOM 643 CA LEU A 97 1.018 5.848 3.857 1.00 0.55 C ATOM 644 C LEU A 97 -0.248 5.551 4.666 1.00 0.46 C ATOM 645 O LEU A 97 -1.350 5.575 4.154 1.00 0.49 O ATOM 646 CB LEU A 97 1.557 4.552 3.222 1.00 0.54 C ATOM 647 CG LEU A 97 0.541 3.958 2.221 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.642 4.675 0.872 1.00 0.65 C ATOM 649 CD2 LEU A 97 0.843 2.471 2.009 1.00 0.66 C ATOM 0 H LEU A 97 2.729 5.716 5.126 1.00 0.67 H new ATOM 0 HA LEU A 97 0.786 6.563 3.068 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.498 4.758 2.711 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.771 3.823 4.003 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.463 4.086 2.626 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.080 4.246 0.177 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.430 5.736 1.007 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.648 4.555 0.470 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.127 2.051 1.303 1.00 0.66 H new ATOM 0 HD22 LEU A 97 1.852 2.358 1.613 1.00 0.66 H new ATOM 0 HD23 LEU A 97 0.766 1.945 2.960 1.00 0.66 H new ATOM 661 N GLU A 98 -0.093 5.269 5.928 1.00 0.44 N ATOM 662 CA GLU A 98 -1.273 4.960 6.783 1.00 0.40 C ATOM 663 C GLU A 98 -2.340 6.042 6.635 1.00 0.40 C ATOM 664 O GLU A 98 -2.054 7.216 6.503 1.00 0.58 O ATOM 665 CB GLU A 98 -0.832 4.884 8.247 1.00 0.49 C ATOM 666 CG GLU A 98 -2.053 4.725 9.159 1.00 0.48 C ATOM 667 CD GLU A 98 -1.592 4.372 10.574 1.00 1.26 C ATOM 668 OE1 GLU A 98 -0.401 4.459 10.825 1.00 2.03 O ATOM 669 OE2 GLU A 98 -2.437 4.021 11.381 1.00 1.94 O ATOM 0 H GLU A 98 0.806 5.239 6.408 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.693 4.005 6.468 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.153 4.043 8.387 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.283 5.786 8.516 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.632 5.649 9.174 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.709 3.944 8.774 1.00 0.48 H new ATOM 676 N GLY A 99 -3.572 5.639 6.692 1.00 0.39 N ATOM 677 CA GLY A 99 -4.699 6.605 6.594 1.00 0.42 C ATOM 678 C GLY A 99 -4.618 7.428 5.299 1.00 0.42 C ATOM 679 O GLY A 99 -5.448 8.280 5.055 1.00 0.46 O ATOM 0 H GLY A 99 -3.853 4.665 6.804 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.646 6.067 6.627 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.683 7.274 7.454 1.00 0.42 H new ATOM 683 N LEU A 100 -3.641 7.191 4.465 1.00 0.41 N ATOM 684 CA LEU A 100 -3.550 7.982 3.200 1.00 0.43 C ATOM 685 C LEU A 100 -4.637 7.489 2.239 1.00 0.42 C ATOM 686 O LEU A 100 -4.508 6.452 1.618 1.00 0.44 O ATOM 687 CB LEU A 100 -2.154 7.786 2.576 1.00 0.45 C ATOM 688 CG LEU A 100 -1.852 8.844 1.491 1.00 0.55 C ATOM 689 CD1 LEU A 100 -2.834 8.701 0.317 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.931 10.271 2.073 1.00 1.17 C ATOM 0 H LEU A 100 -2.910 6.493 4.600 1.00 0.41 H new ATOM 0 HA LEU A 100 -3.697 9.043 3.401 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.396 7.842 3.358 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.089 6.790 2.139 1.00 0.45 H new ATOM 0 HG LEU A 100 -0.838 8.676 1.129 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -2.609 9.453 -0.439 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.737 7.707 -0.119 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -3.853 8.842 0.676 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -1.714 10.996 1.289 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -2.932 10.449 2.465 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.202 10.377 2.877 1.00 1.17 H new ATOM 702 N ILE A 101 -5.724 8.211 2.134 1.00 0.44 N ATOM 703 CA ILE A 101 -6.834 7.767 1.241 1.00 0.45 C ATOM 704 C ILE A 101 -6.325 7.554 -0.192 1.00 0.46 C ATOM 705 O ILE A 101 -6.020 8.486 -0.909 1.00 0.49 O ATOM 706 CB ILE A 101 -7.981 8.802 1.279 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.833 8.592 2.556 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.872 8.671 0.035 1.00 0.54 C ATOM 709 CD1 ILE A 101 -9.862 7.452 2.373 1.00 0.52 C ATOM 0 H ILE A 101 -5.890 9.088 2.628 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.218 6.812 1.599 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.546 9.801 1.291 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.179 8.361 3.397 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.354 9.517 2.803 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.673 9.409 0.082 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.274 8.841 -0.860 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.302 7.670 -0.001 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.441 7.334 3.289 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.532 7.696 1.549 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.339 6.522 2.152 1.00 0.52 H new ATOM 721 N HIS A 102 -6.267 6.313 -0.607 1.00 0.47 N ATOM 722 CA HIS A 102 -5.821 5.980 -1.988 1.00 0.51 C ATOM 723 C HIS A 102 -6.830 6.575 -2.974 1.00 0.58 C ATOM 724 O HIS A 102 -7.962 6.125 -3.068 1.00 0.64 O ATOM 725 CB HIS A 102 -5.762 4.445 -2.134 1.00 0.57 C ATOM 726 CG HIS A 102 -5.874 4.030 -3.581 1.00 0.64 C ATOM 727 ND1 HIS A 102 -7.097 3.960 -4.229 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.937 3.649 -4.508 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.867 3.551 -5.488 1.00 1.36 C ATOM 730 NE2 HIS A 102 -5.566 3.346 -5.713 1.00 0.70 N ATOM 0 H HIS A 102 -6.515 5.506 -0.035 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.832 6.391 -2.191 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.826 4.073 -1.718 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.569 3.991 -1.559 1.00 0.57 H new ATOM 0 HD1 HIS A 102 -8.007 4.179 -3.824 1.00 1.41 H new ATOM 0 HD2 HIS A 102 -3.873 3.593 -4.330 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -7.640 3.406 -6.228 1.00 1.36 H new ATOM 738 N SER A 103 -6.422 7.585 -3.695 1.00 0.60 N ATOM 739 CA SER A 103 -7.334 8.235 -4.677 1.00 0.69 C ATOM 740 C SER A 103 -7.592 7.293 -5.855 1.00 0.76 C ATOM 741 O SER A 103 -8.623 6.657 -5.939 1.00 0.85 O ATOM 742 CB SER A 103 -6.692 9.526 -5.185 1.00 0.74 C ATOM 743 OG SER A 103 -7.639 10.243 -5.967 1.00 1.49 O ATOM 0 H SER A 103 -5.487 7.990 -3.644 1.00 0.60 H new ATOM 0 HA SER A 103 -8.283 8.463 -4.191 1.00 0.69 H new ATOM 0 HB2 SER A 103 -6.360 10.136 -4.345 1.00 0.74 H new ATOM 0 HB3 SER A 103 -5.809 9.297 -5.781 1.00 0.74 H new ATOM 0 HG SER A 103 -7.232 11.073 -6.294 1.00 1.49 H new ATOM 749 N GLN A 104 -6.664 7.203 -6.771 1.00 0.81 N ATOM 750 CA GLN A 104 -6.865 6.307 -7.946 1.00 0.92 C ATOM 751 C GLN A 104 -5.521 6.036 -8.630 1.00 0.93 C ATOM 752 O GLN A 104 -5.451 5.333 -9.619 1.00 1.37 O ATOM 753 CB GLN A 104 -7.813 6.981 -8.941 1.00 1.06 C ATOM 754 CG GLN A 104 -7.271 8.364 -9.305 1.00 1.76 C ATOM 755 CD GLN A 104 -8.214 9.037 -10.303 1.00 2.14 C ATOM 756 OE1 GLN A 104 -9.224 8.367 -10.785 1.00 2.64 O flip ATOM 757 NE2 GLN A 104 -8.030 10.188 -10.649 1.00 2.70 N flip ATOM 0 H GLN A 104 -5.779 7.710 -6.756 1.00 0.81 H new ATOM 0 HA GLN A 104 -7.294 5.363 -7.609 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.911 6.369 -9.838 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -8.809 7.072 -8.507 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -7.177 8.976 -8.408 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -6.274 8.273 -9.736 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -7.241 10.714 -10.273 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -8.665 10.628 -11.315 1.00 2.70 H new ATOM 766 N ARG A 105 -4.451 6.591 -8.119 1.00 0.83 N ATOM 767 CA ARG A 105 -3.115 6.364 -8.752 1.00 0.87 C ATOM 768 C ARG A 105 -2.021 6.392 -7.680 1.00 0.74 C ATOM 769 O ARG A 105 -0.865 6.139 -7.956 1.00 0.70 O ATOM 770 CB ARG A 105 -2.842 7.462 -9.784 1.00 1.06 C ATOM 771 CG ARG A 105 -3.141 8.831 -9.171 1.00 1.71 C ATOM 772 CD ARG A 105 -2.899 9.922 -10.214 1.00 1.99 C ATOM 773 NE ARG A 105 -1.452 9.956 -10.572 1.00 2.86 N ATOM 774 CZ ARG A 105 -1.059 10.602 -11.635 1.00 3.60 C ATOM 775 NH1 ARG A 105 -1.931 11.239 -12.370 1.00 3.73 N ATOM 776 NH2 ARG A 105 0.204 10.616 -11.963 1.00 4.61 N ATOM 0 H ARG A 105 -4.444 7.190 -7.293 1.00 0.83 H new ATOM 0 HA ARG A 105 -3.114 5.392 -9.244 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -1.803 7.418 -10.110 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -3.460 7.306 -10.668 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -4.174 8.868 -8.824 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -2.506 8.998 -8.301 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -3.500 9.730 -11.103 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -3.210 10.890 -9.822 1.00 1.99 H new ATOM 0 HE ARG A 105 -0.770 9.474 -9.986 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -2.918 11.231 -12.112 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -1.625 11.744 -13.201 1.00 3.73 H new ATOM 0 HH21 ARG A 105 0.886 10.121 -11.388 1.00 4.61 H new ATOM 0 HH22 ARG A 105 0.509 11.122 -12.795 1.00 4.61 H new ATOM 790 N ARG A 106 -2.373 6.691 -6.460 1.00 0.71 N ATOM 791 CA ARG A 106 -1.345 6.726 -5.381 1.00 0.65 C ATOM 792 C ARG A 106 -0.637 5.367 -5.322 1.00 0.54 C ATOM 793 O ARG A 106 0.506 5.267 -4.922 1.00 0.50 O ATOM 794 CB ARG A 106 -2.026 7.017 -4.032 1.00 0.70 C ATOM 795 CG ARG A 106 -2.200 8.531 -3.842 1.00 1.01 C ATOM 796 CD ARG A 106 -2.891 9.144 -5.066 1.00 1.24 C ATOM 797 NE ARG A 106 -3.541 10.426 -4.674 1.00 1.86 N ATOM 798 CZ ARG A 106 -3.909 11.281 -5.589 1.00 2.48 C ATOM 799 NH1 ARG A 106 -3.702 11.017 -6.850 1.00 2.86 N ATOM 800 NH2 ARG A 106 -4.482 12.401 -5.242 1.00 3.29 N ATOM 0 H ARG A 106 -3.324 6.912 -6.164 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.616 7.509 -5.589 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.997 6.524 -3.993 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.428 6.607 -3.218 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -2.790 8.727 -2.947 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -1.228 9.000 -3.692 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -2.164 9.319 -5.859 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -3.634 8.452 -5.463 1.00 1.24 H new ATOM 0 HE ARG A 106 -3.699 10.636 -3.688 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -3.253 10.142 -7.121 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -3.990 11.685 -7.565 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -4.642 12.608 -4.256 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -4.770 13.069 -5.957 1.00 3.29 H new ATOM 814 N GLN A 107 -1.315 4.321 -5.714 1.00 0.55 N ATOM 815 CA GLN A 107 -0.689 2.965 -5.677 1.00 0.52 C ATOM 816 C GLN A 107 0.511 2.917 -6.627 1.00 0.49 C ATOM 817 O GLN A 107 1.579 2.462 -6.267 1.00 0.44 O ATOM 818 CB GLN A 107 -1.717 1.917 -6.111 1.00 0.63 C ATOM 819 CG GLN A 107 -1.121 0.517 -5.951 1.00 1.11 C ATOM 820 CD GLN A 107 -2.155 -0.530 -6.368 1.00 1.53 C ATOM 821 OE1 GLN A 107 -2.807 -1.124 -5.534 1.00 2.13 O ATOM 822 NE2 GLN A 107 -2.332 -0.784 -7.637 1.00 2.12 N ATOM 0 H GLN A 107 -2.275 4.346 -6.058 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.353 2.755 -4.661 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.621 2.009 -5.510 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.006 2.084 -7.149 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.224 0.420 -6.562 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -0.821 0.354 -4.916 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -1.784 -0.285 -8.338 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -3.018 -1.481 -7.927 1.00 2.12 H new ATOM 831 N ASP A 108 0.346 3.373 -7.838 1.00 0.56 N ATOM 832 CA ASP A 108 1.481 3.341 -8.803 1.00 0.59 C ATOM 833 C ASP A 108 2.676 4.092 -8.211 1.00 0.54 C ATOM 834 O ASP A 108 3.792 3.614 -8.229 1.00 0.54 O ATOM 835 CB ASP A 108 1.055 4.006 -10.112 1.00 0.72 C ATOM 836 CG ASP A 108 -0.186 3.302 -10.664 1.00 0.81 C ATOM 837 OD1 ASP A 108 -0.541 2.264 -10.131 1.00 1.42 O ATOM 838 OD2 ASP A 108 -0.760 3.814 -11.610 1.00 1.33 O ATOM 0 H ASP A 108 -0.523 3.765 -8.200 1.00 0.56 H new ATOM 0 HA ASP A 108 1.764 2.307 -8.998 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.842 5.062 -9.943 1.00 0.72 H new ATOM 0 HB3 ASP A 108 1.867 3.957 -10.838 1.00 0.72 H new ATOM 843 N ILE A 109 2.449 5.263 -7.684 1.00 0.55 N ATOM 844 CA ILE A 109 3.571 6.046 -7.090 1.00 0.54 C ATOM 845 C ILE A 109 4.284 5.186 -6.045 1.00 0.47 C ATOM 846 O ILE A 109 5.481 4.979 -6.104 1.00 0.53 O ATOM 847 CB ILE A 109 3.016 7.306 -6.413 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.162 8.123 -7.409 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.176 8.157 -5.883 1.00 0.63 C ATOM 850 CD1 ILE A 109 3.040 9.017 -8.298 1.00 1.47 C ATOM 0 H ILE A 109 1.535 5.713 -7.638 1.00 0.55 H new ATOM 0 HA ILE A 109 4.271 6.333 -7.875 1.00 0.54 H new ATOM 0 HB ILE A 109 2.379 7.010 -5.580 1.00 0.59 H new ATOM 0 HG12 ILE A 109 1.581 7.445 -8.034 1.00 0.70 H new ATOM 0 HG13 ILE A 109 1.450 8.740 -6.860 1.00 0.70 H new ATOM 0 HG21 ILE A 109 3.781 9.052 -5.402 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.750 7.579 -5.158 1.00 0.63 H new ATOM 0 HG23 ILE A 109 4.823 8.446 -6.711 1.00 0.63 H new ATOM 0 HD11 ILE A 109 2.408 9.578 -8.987 1.00 1.47 H new ATOM 0 HD12 ILE A 109 3.602 9.712 -7.673 1.00 1.47 H new ATOM 0 HD13 ILE A 109 3.734 8.397 -8.865 1.00 1.47 H new ATOM 862 N LEU A 110 3.556 4.688 -5.084 1.00 0.43 N ATOM 863 CA LEU A 110 4.181 3.846 -4.026 1.00 0.39 C ATOM 864 C LEU A 110 5.046 2.760 -4.674 1.00 0.38 C ATOM 865 O LEU A 110 6.248 2.731 -4.512 1.00 0.38 O ATOM 866 CB LEU A 110 3.072 3.194 -3.189 1.00 0.42 C ATOM 867 CG LEU A 110 3.663 2.167 -2.213 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.806 2.799 -1.407 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.561 1.703 -1.255 1.00 0.66 C ATOM 0 H LEU A 110 2.551 4.829 -4.986 1.00 0.43 H new ATOM 0 HA LEU A 110 4.810 4.465 -3.386 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.530 3.960 -2.635 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.352 2.706 -3.846 1.00 0.42 H new ATOM 0 HG LEU A 110 4.055 1.319 -2.774 1.00 0.44 H new ATOM 0 HD11 LEU A 110 5.217 2.061 -0.718 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.588 3.136 -2.087 1.00 0.56 H new ATOM 0 HD13 LEU A 110 4.426 3.650 -0.842 1.00 0.56 H new ATOM 0 HD21 LEU A 110 2.970 0.973 -0.557 1.00 0.66 H new ATOM 0 HD22 LEU A 110 2.176 2.559 -0.701 1.00 0.66 H new ATOM 0 HD23 LEU A 110 1.752 1.247 -1.825 1.00 0.66 H new ATOM 881 N ASP A 111 4.437 1.863 -5.400 1.00 0.40 N ATOM 882 CA ASP A 111 5.213 0.767 -6.053 1.00 0.42 C ATOM 883 C ASP A 111 6.354 1.347 -6.894 1.00 0.43 C ATOM 884 O ASP A 111 7.461 0.851 -6.877 1.00 0.42 O ATOM 885 CB ASP A 111 4.281 -0.044 -6.957 1.00 0.50 C ATOM 886 CG ASP A 111 3.098 -0.561 -6.136 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.258 -1.577 -5.479 1.00 1.19 O ATOM 888 OD2 ASP A 111 2.054 0.067 -6.178 1.00 1.30 O ATOM 0 H ASP A 111 3.432 1.841 -5.571 1.00 0.40 H new ATOM 0 HA ASP A 111 5.635 0.125 -5.280 1.00 0.42 H new ATOM 0 HB2 ASP A 111 3.924 0.576 -7.779 1.00 0.50 H new ATOM 0 HB3 ASP A 111 4.823 -0.880 -7.400 1.00 0.50 H new ATOM 893 N LEU A 112 6.096 2.382 -7.642 1.00 0.48 N ATOM 894 CA LEU A 112 7.175 2.970 -8.488 1.00 0.52 C ATOM 895 C LEU A 112 8.290 3.517 -7.595 1.00 0.48 C ATOM 896 O LEU A 112 9.454 3.232 -7.798 1.00 0.47 O ATOM 897 CB LEU A 112 6.586 4.101 -9.340 1.00 0.60 C ATOM 898 CG LEU A 112 7.628 4.610 -10.351 1.00 0.70 C ATOM 899 CD1 LEU A 112 7.839 3.583 -11.477 1.00 1.45 C ATOM 900 CD2 LEU A 112 7.133 5.932 -10.949 1.00 1.26 C ATOM 0 H LEU A 112 5.190 2.846 -7.706 1.00 0.48 H new ATOM 0 HA LEU A 112 7.590 2.202 -9.141 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.702 3.744 -9.868 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.264 4.920 -8.696 1.00 0.60 H new ATOM 0 HG LEU A 112 8.579 4.760 -9.839 1.00 0.70 H new ATOM 0 HD11 LEU A 112 8.579 3.962 -12.181 1.00 1.45 H new ATOM 0 HD12 LEU A 112 8.191 2.643 -11.051 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.896 3.415 -11.997 1.00 1.45 H new ATOM 0 HD21 LEU A 112 7.864 6.303 -11.668 1.00 1.26 H new ATOM 0 HD22 LEU A 112 6.180 5.769 -11.452 1.00 1.26 H new ATOM 0 HD23 LEU A 112 7.003 6.665 -10.153 1.00 1.26 H new ATOM 912 N TRP A 113 7.951 4.294 -6.604 1.00 0.48 N ATOM 913 CA TRP A 113 9.002 4.847 -5.706 1.00 0.48 C ATOM 914 C TRP A 113 9.904 3.707 -5.226 1.00 0.43 C ATOM 915 O TRP A 113 11.109 3.843 -5.148 1.00 0.45 O ATOM 916 CB TRP A 113 8.339 5.516 -4.501 1.00 0.52 C ATOM 917 CG TRP A 113 9.386 6.118 -3.619 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.002 7.302 -3.838 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.947 5.588 -2.383 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.903 7.534 -2.815 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.906 6.506 -1.893 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.717 4.412 -1.646 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.614 6.266 -0.715 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.427 4.167 -0.459 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.373 5.092 0.005 1.00 0.67 C ATOM 0 H TRP A 113 6.995 4.569 -6.378 1.00 0.48 H new ATOM 0 HA TRP A 113 9.598 5.582 -6.246 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.646 6.287 -4.837 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.756 4.784 -3.942 1.00 0.52 H new ATOM 0 HD1 TRP A 113 9.820 7.959 -4.675 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.493 8.363 -2.749 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.990 3.693 -1.995 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.342 6.981 -0.362 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 10.243 3.261 0.099 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.915 4.898 0.918 1.00 0.67 H new ATOM 936 N ILE A 114 9.325 2.583 -4.903 1.00 0.39 N ATOM 937 CA ILE A 114 10.139 1.430 -4.427 1.00 0.37 C ATOM 938 C ILE A 114 11.141 1.018 -5.516 1.00 0.39 C ATOM 939 O ILE A 114 12.267 0.661 -5.232 1.00 0.44 O ATOM 940 CB ILE A 114 9.200 0.254 -4.099 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.448 0.534 -2.777 1.00 0.37 C ATOM 942 CG2 ILE A 114 9.997 -1.054 -3.991 1.00 0.42 C ATOM 943 CD1 ILE A 114 9.289 0.109 -1.562 1.00 1.00 C ATOM 0 H ILE A 114 8.320 2.414 -4.949 1.00 0.39 H new ATOM 0 HA ILE A 114 10.692 1.713 -3.531 1.00 0.37 H new ATOM 0 HB ILE A 114 8.473 0.149 -4.905 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.212 1.596 -2.707 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.500 -0.004 -2.773 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.319 -1.875 -3.759 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.498 -1.254 -4.938 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.741 -0.963 -3.199 1.00 0.42 H new ATOM 0 HD11 ILE A 114 8.736 0.317 -0.646 1.00 1.00 H new ATOM 0 HD12 ILE A 114 9.502 -0.958 -1.622 1.00 1.00 H new ATOM 0 HD13 ILE A 114 10.226 0.666 -1.555 1.00 1.00 H new ATOM 955 N TYR A 115 10.739 1.044 -6.756 1.00 0.40 N ATOM 956 CA TYR A 115 11.670 0.634 -7.847 1.00 0.46 C ATOM 957 C TYR A 115 12.866 1.600 -7.922 1.00 0.51 C ATOM 958 O TYR A 115 14.008 1.194 -7.849 1.00 0.54 O ATOM 959 CB TYR A 115 10.912 0.632 -9.180 1.00 0.53 C ATOM 960 CG TYR A 115 11.665 -0.190 -10.206 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.796 -1.578 -10.041 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.229 0.436 -11.328 1.00 0.74 C ATOM 963 CE1 TYR A 115 12.490 -2.333 -10.995 1.00 0.65 C ATOM 964 CE2 TYR A 115 12.921 -0.323 -12.279 1.00 0.82 C ATOM 965 CZ TYR A 115 13.052 -1.706 -12.113 1.00 0.77 C ATOM 966 OH TYR A 115 13.737 -2.452 -13.051 1.00 0.87 O ATOM 0 H TYR A 115 9.809 1.330 -7.062 1.00 0.40 H new ATOM 0 HA TYR A 115 12.049 -0.367 -7.640 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.912 0.223 -9.038 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.790 1.654 -9.540 1.00 0.53 H new ATOM 0 HD1 TYR A 115 11.362 -2.063 -9.179 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.129 1.504 -11.458 1.00 0.74 H new ATOM 0 HE1 TYR A 115 12.592 -3.401 -10.868 1.00 0.65 H new ATOM 0 HE2 TYR A 115 13.355 0.160 -13.142 1.00 0.82 H new ATOM 0 HH TYR A 115 14.062 -1.863 -13.764 1.00 0.87 H new ATOM 976 N HIS A 116 12.612 2.874 -8.080 1.00 0.58 N ATOM 977 CA HIS A 116 13.728 3.868 -8.178 1.00 0.67 C ATOM 978 C HIS A 116 14.562 3.891 -6.891 1.00 0.67 C ATOM 979 O HIS A 116 15.477 4.681 -6.765 1.00 0.81 O ATOM 980 CB HIS A 116 13.142 5.266 -8.404 1.00 0.79 C ATOM 981 CG HIS A 116 12.218 5.248 -9.592 1.00 1.20 C ATOM 982 ND1 HIS A 116 12.365 4.341 -10.630 1.00 1.99 N ATOM 983 CD2 HIS A 116 11.135 6.024 -9.921 1.00 2.05 C ATOM 984 CE1 HIS A 116 11.392 4.592 -11.526 1.00 2.71 C ATOM 985 NE2 HIS A 116 10.615 5.607 -11.143 1.00 2.74 N ATOM 0 H HIS A 116 11.675 3.272 -8.146 1.00 0.58 H new ATOM 0 HA HIS A 116 14.370 3.578 -9.010 1.00 0.67 H new ATOM 0 HB2 HIS A 116 12.600 5.591 -7.516 1.00 0.79 H new ATOM 0 HB3 HIS A 116 13.945 5.984 -8.568 1.00 0.79 H new ATOM 0 HD1 HIS A 116 13.079 3.616 -10.702 1.00 1.99 H new ATOM 0 HD2 HIS A 116 10.746 6.835 -9.323 1.00 2.05 H new ATOM 0 HE1 HIS A 116 11.257 4.039 -12.444 1.00 2.71 H new ATOM 993 N THR A 117 14.256 3.051 -5.929 1.00 0.63 N ATOM 994 CA THR A 117 15.036 3.050 -4.643 1.00 0.68 C ATOM 995 C THR A 117 15.863 1.765 -4.515 1.00 0.66 C ATOM 996 O THR A 117 16.906 1.625 -5.119 1.00 0.73 O ATOM 997 CB THR A 117 14.063 3.149 -3.462 1.00 0.80 C ATOM 998 OG1 THR A 117 12.939 2.319 -3.710 1.00 0.85 O ATOM 999 CG2 THR A 117 13.598 4.597 -3.295 1.00 0.91 C ATOM 0 H THR A 117 13.502 2.366 -5.976 1.00 0.63 H new ATOM 0 HA THR A 117 15.714 3.903 -4.641 1.00 0.68 H new ATOM 0 HB THR A 117 14.566 2.825 -2.551 1.00 0.80 H new ATOM 0 HG1 THR A 117 13.208 1.564 -4.274 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.907 4.663 -2.455 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.460 5.237 -3.106 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.095 4.925 -4.205 1.00 0.91 H new ATOM 1007 N GLN A 118 15.417 0.839 -3.710 1.00 0.73 N ATOM 1008 CA GLN A 118 16.196 -0.418 -3.519 1.00 0.83 C ATOM 1009 C GLN A 118 16.001 -1.343 -4.726 1.00 0.72 C ATOM 1010 O GLN A 118 16.484 -2.456 -4.755 1.00 0.91 O ATOM 1011 CB GLN A 118 15.740 -1.122 -2.228 1.00 1.06 C ATOM 1012 CG GLN A 118 15.267 -0.077 -1.200 1.00 1.48 C ATOM 1013 CD GLN A 118 13.807 0.313 -1.464 1.00 2.12 C ATOM 1014 OE1 GLN A 118 13.177 -0.181 -2.495 1.00 2.89 O flip ATOM 1015 NE2 GLN A 118 13.232 1.081 -0.719 1.00 2.13 N flip ATOM 0 H GLN A 118 14.549 0.898 -3.177 1.00 0.73 H new ATOM 0 HA GLN A 118 17.255 -0.174 -3.433 1.00 0.83 H new ATOM 0 HB2 GLN A 118 14.932 -1.819 -2.450 1.00 1.06 H new ATOM 0 HB3 GLN A 118 16.561 -1.707 -1.813 1.00 1.06 H new ATOM 0 HG2 GLN A 118 15.366 -0.479 -0.192 1.00 1.48 H new ATOM 0 HG3 GLN A 118 15.901 0.808 -1.254 1.00 1.48 H new ATOM 0 HE21 GLN A 118 13.720 1.470 0.088 1.00 2.13 H new ATOM 0 HE22 GLN A 118 12.261 1.337 -0.900 1.00 2.13 H new ATOM 1024 N GLY A 119 15.313 -0.877 -5.730 1.00 0.86 N ATOM 1025 CA GLY A 119 15.102 -1.705 -6.951 1.00 0.85 C ATOM 1026 C GLY A 119 14.396 -3.023 -6.615 1.00 0.65 C ATOM 1027 O GLY A 119 14.703 -4.053 -7.181 1.00 0.67 O ATOM 0 H GLY A 119 14.885 0.048 -5.758 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.508 -1.146 -7.674 1.00 0.85 H new ATOM 0 HA3 GLY A 119 16.063 -1.914 -7.422 1.00 0.85 H new ATOM 1031 N TYR A 120 13.440 -3.013 -5.724 1.00 0.54 N ATOM 1032 CA TYR A 120 12.727 -4.285 -5.414 1.00 0.44 C ATOM 1033 C TYR A 120 11.765 -4.587 -6.567 1.00 0.49 C ATOM 1034 O TYR A 120 11.098 -3.706 -7.071 1.00 0.70 O ATOM 1035 CB TYR A 120 11.917 -4.144 -4.114 1.00 0.48 C ATOM 1036 CG TYR A 120 12.793 -4.389 -2.902 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.416 -5.631 -2.717 1.00 0.58 C ATOM 1038 CD2 TYR A 120 12.973 -3.372 -1.958 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.218 -5.849 -1.589 1.00 0.71 C ATOM 1040 CE2 TYR A 120 13.773 -3.590 -0.833 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.398 -4.828 -0.647 1.00 0.75 C ATOM 1042 OH TYR A 120 15.188 -5.044 0.463 1.00 0.91 O ATOM 0 H TYR A 120 13.126 -2.193 -5.205 1.00 0.54 H new ATOM 0 HA TYR A 120 13.453 -5.088 -5.290 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.483 -3.146 -4.058 1.00 0.48 H new ATOM 0 HB3 TYR A 120 11.089 -4.852 -4.118 1.00 0.48 H new ATOM 0 HD1 TYR A 120 13.278 -6.419 -3.443 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.492 -2.415 -2.099 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.698 -6.806 -1.446 1.00 0.71 H new ATOM 0 HE2 TYR A 120 13.909 -2.802 -0.107 1.00 0.71 H new ATOM 0 HH TYR A 120 15.207 -4.233 1.013 1.00 0.91 H new ATOM 1052 N PHE A 121 11.675 -5.818 -6.978 1.00 0.48 N ATOM 1053 CA PHE A 121 10.737 -6.161 -8.085 1.00 0.57 C ATOM 1054 C PHE A 121 9.325 -6.268 -7.479 1.00 0.55 C ATOM 1055 O PHE A 121 9.173 -6.735 -6.367 1.00 0.59 O ATOM 1056 CB PHE A 121 11.163 -7.506 -8.704 1.00 0.68 C ATOM 1057 CG PHE A 121 10.781 -7.557 -10.170 1.00 1.42 C ATOM 1058 CD1 PHE A 121 11.502 -6.810 -11.107 1.00 2.32 C ATOM 1059 CD2 PHE A 121 9.707 -8.352 -10.588 1.00 2.33 C ATOM 1060 CE1 PHE A 121 11.150 -6.856 -12.461 1.00 3.44 C ATOM 1061 CE2 PHE A 121 9.354 -8.400 -11.942 1.00 3.43 C ATOM 1062 CZ PHE A 121 10.076 -7.652 -12.879 1.00 3.85 C ATOM 0 H PHE A 121 12.207 -6.601 -6.599 1.00 0.48 H new ATOM 0 HA PHE A 121 10.749 -5.402 -8.867 1.00 0.57 H new ATOM 0 HB2 PHE A 121 12.240 -7.638 -8.597 1.00 0.68 H new ATOM 0 HB3 PHE A 121 10.687 -8.327 -8.169 1.00 0.68 H new ATOM 0 HD1 PHE A 121 12.331 -6.197 -10.786 1.00 2.32 H new ATOM 0 HD2 PHE A 121 9.150 -8.929 -9.865 1.00 2.33 H new ATOM 0 HE1 PHE A 121 11.707 -6.278 -13.184 1.00 3.44 H new ATOM 0 HE2 PHE A 121 8.525 -9.014 -12.263 1.00 3.43 H new ATOM 0 HZ PHE A 121 9.805 -7.689 -13.924 1.00 3.85 H new ATOM 1072 N PRO A 122 8.296 -5.831 -8.170 1.00 0.64 N ATOM 1073 CA PRO A 122 6.903 -5.885 -7.628 1.00 0.67 C ATOM 1074 C PRO A 122 6.304 -7.299 -7.630 1.00 0.73 C ATOM 1075 O PRO A 122 5.136 -7.489 -7.911 1.00 1.19 O ATOM 1076 CB PRO A 122 6.126 -4.953 -8.569 1.00 0.80 C ATOM 1077 CG PRO A 122 6.846 -5.054 -9.874 1.00 1.05 C ATOM 1078 CD PRO A 122 8.327 -5.241 -9.526 1.00 0.87 C ATOM 0 HA PRO A 122 6.865 -5.587 -6.580 1.00 0.67 H new ATOM 0 HB2 PRO A 122 5.085 -5.263 -8.665 1.00 0.80 H new ATOM 0 HB3 PRO A 122 6.120 -3.928 -8.197 1.00 0.80 H new ATOM 0 HG2 PRO A 122 6.474 -5.894 -10.461 1.00 1.05 H new ATOM 0 HG3 PRO A 122 6.696 -4.156 -10.473 1.00 1.05 H new ATOM 0 HD2 PRO A 122 8.826 -5.899 -10.238 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.864 -4.293 -9.538 1.00 0.87 H new ATOM 1086 N ASP A 123 7.082 -8.292 -7.298 1.00 0.56 N ATOM 1087 CA ASP A 123 6.541 -9.683 -7.260 1.00 0.64 C ATOM 1088 C ASP A 123 5.953 -9.946 -5.874 1.00 0.58 C ATOM 1089 O ASP A 123 5.792 -11.078 -5.465 1.00 0.65 O ATOM 1090 CB ASP A 123 7.668 -10.682 -7.523 1.00 0.74 C ATOM 1091 CG ASP A 123 8.733 -10.546 -6.432 1.00 0.77 C ATOM 1092 OD1 ASP A 123 9.321 -9.482 -6.335 1.00 1.38 O ATOM 1093 OD2 ASP A 123 8.940 -11.509 -5.713 1.00 1.27 O ATOM 0 H ASP A 123 8.068 -8.202 -7.051 1.00 0.56 H new ATOM 0 HA ASP A 123 5.772 -9.797 -8.024 1.00 0.64 H new ATOM 0 HB2 ASP A 123 7.273 -11.698 -7.536 1.00 0.74 H new ATOM 0 HB3 ASP A 123 8.110 -10.499 -8.503 1.00 0.74 H new ATOM 1098 N TRP A 124 5.646 -8.902 -5.142 1.00 0.53 N ATOM 1099 CA TRP A 124 5.081 -9.070 -3.764 1.00 0.52 C ATOM 1100 C TRP A 124 3.826 -8.220 -3.605 1.00 0.51 C ATOM 1101 O TRP A 124 2.974 -8.491 -2.783 1.00 0.55 O ATOM 1102 CB TRP A 124 6.124 -8.614 -2.741 1.00 0.49 C ATOM 1103 CG TRP A 124 6.383 -7.150 -2.928 1.00 0.43 C ATOM 1104 CD1 TRP A 124 7.318 -6.622 -3.753 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.706 -6.021 -2.302 1.00 0.42 C ATOM 1106 NE1 TRP A 124 7.260 -5.241 -3.668 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.282 -4.824 -2.786 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.659 -5.922 -1.367 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.835 -3.571 -2.359 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.206 -4.665 -0.937 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.793 -3.491 -1.433 1.00 0.55 C ATOM 0 H TRP A 124 5.763 -7.934 -5.441 1.00 0.53 H new ATOM 0 HA TRP A 124 4.827 -10.118 -3.605 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.768 -8.807 -1.729 1.00 0.49 H new ATOM 0 HB3 TRP A 124 7.048 -9.179 -2.867 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.998 -7.185 -4.375 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.865 -4.609 -4.192 1.00 0.42 H new ATOM 0 HE3 TRP A 124 4.201 -6.819 -0.978 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.292 -2.671 -2.742 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 3.401 -4.601 -0.220 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.439 -2.527 -1.099 1.00 0.55 H new ATOM 1122 N GLN A 125 3.719 -7.193 -4.379 1.00 0.53 N ATOM 1123 CA GLN A 125 2.527 -6.303 -4.278 1.00 0.60 C ATOM 1124 C GLN A 125 1.321 -6.970 -4.945 1.00 0.66 C ATOM 1125 O GLN A 125 1.233 -7.058 -6.154 1.00 0.84 O ATOM 1126 CB GLN A 125 2.816 -4.957 -4.957 1.00 0.69 C ATOM 1127 CG GLN A 125 3.591 -5.179 -6.270 1.00 1.56 C ATOM 1128 CD GLN A 125 3.306 -4.029 -7.243 1.00 2.18 C ATOM 1129 OE1 GLN A 125 4.106 -3.126 -7.387 1.00 2.78 O ATOM 1130 NE2 GLN A 125 2.190 -4.025 -7.918 1.00 2.82 N ATOM 0 H GLN A 125 4.404 -6.922 -5.084 1.00 0.53 H new ATOM 0 HA GLN A 125 2.304 -6.130 -3.225 1.00 0.60 H new ATOM 0 HB2 GLN A 125 1.880 -4.437 -5.162 1.00 0.69 H new ATOM 0 HB3 GLN A 125 3.395 -4.321 -4.288 1.00 0.69 H new ATOM 0 HG2 GLN A 125 4.660 -5.238 -6.066 1.00 1.56 H new ATOM 0 HG3 GLN A 125 3.299 -6.128 -6.719 1.00 1.56 H new ATOM 0 HE21 GLN A 125 1.518 -4.783 -7.797 1.00 2.82 H new ATOM 0 HE22 GLN A 125 1.989 -3.264 -8.567 1.00 2.82 H new ATOM 1139 N ASN A 126 0.386 -7.433 -4.164 1.00 0.64 N ATOM 1140 CA ASN A 126 -0.820 -8.086 -4.745 1.00 0.72 C ATOM 1141 C ASN A 126 -1.965 -8.004 -3.732 1.00 0.69 C ATOM 1142 O ASN A 126 -1.752 -7.725 -2.569 1.00 1.22 O ATOM 1143 CB ASN A 126 -0.502 -9.550 -5.063 1.00 0.84 C ATOM 1144 CG ASN A 126 0.676 -9.613 -6.037 1.00 0.89 C ATOM 1145 OD1 ASN A 126 1.896 -9.594 -5.571 1.00 1.53 O flip ATOM 1146 ND2 ASN A 126 0.485 -9.679 -7.235 1.00 0.88 N flip ATOM 0 H ASN A 126 0.405 -7.387 -3.145 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.114 -7.580 -5.665 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -0.260 -10.089 -4.147 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -1.375 -10.037 -5.498 1.00 0.84 H new ATOM 0 HD21 ASN A 126 -0.468 -9.694 -7.600 1.00 0.88 H new ATOM 0 HD22 ASN A 126 1.277 -9.720 -7.876 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.181 -8.231 -4.158 1.00 0.69 N ATOM 1154 CA TYR A 127 -4.336 -8.150 -3.209 1.00 0.61 C ATOM 1155 C TYR A 127 -5.544 -8.883 -3.810 1.00 0.63 C ATOM 1156 O TYR A 127 -5.496 -9.386 -4.915 1.00 0.75 O ATOM 1157 CB TYR A 127 -4.736 -6.673 -2.953 1.00 0.65 C ATOM 1158 CG TYR A 127 -3.533 -5.755 -3.010 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -2.983 -5.396 -4.247 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -2.978 -5.251 -1.826 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -1.879 -4.538 -4.300 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -1.873 -4.394 -1.880 1.00 1.19 C ATOM 1163 CZ TYR A 127 -1.323 -4.038 -3.116 1.00 1.23 C ATOM 1164 OH TYR A 127 -0.236 -3.191 -3.170 1.00 1.48 O ATOM 0 H TYR A 127 -3.426 -8.469 -5.119 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.037 -8.610 -2.267 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -5.470 -6.360 -3.696 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -5.214 -6.588 -1.977 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -3.411 -5.782 -5.160 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -3.403 -5.524 -0.872 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -1.456 -4.261 -5.254 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -1.445 -4.007 -0.967 1.00 1.19 H new ATOM 0 HH TYR A 127 0.025 -2.935 -2.261 1.00 1.48 H new ATOM 1174 N THR A 128 -6.631 -8.935 -3.085 1.00 0.62 N ATOM 1175 CA THR A 128 -7.850 -9.620 -3.601 1.00 0.68 C ATOM 1176 C THR A 128 -8.347 -8.874 -4.850 1.00 0.75 C ATOM 1177 O THR A 128 -8.081 -7.702 -5.002 1.00 0.97 O ATOM 1178 CB THR A 128 -8.932 -9.580 -2.510 1.00 0.86 C ATOM 1179 OG1 THR A 128 -8.883 -8.320 -1.855 1.00 1.22 O ATOM 1180 CG2 THR A 128 -8.683 -10.695 -1.491 1.00 0.90 C ATOM 0 H THR A 128 -6.726 -8.530 -2.154 1.00 0.62 H new ATOM 0 HA THR A 128 -7.627 -10.655 -3.861 1.00 0.68 H new ATOM 0 HB THR A 128 -9.913 -9.724 -2.964 1.00 0.86 H new ATOM 0 HG1 THR A 128 -9.634 -7.766 -2.154 1.00 1.22 H new ATOM 0 HG21 THR A 128 -9.453 -10.662 -0.720 1.00 0.90 H new ATOM 0 HG22 THR A 128 -8.715 -11.661 -1.994 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.704 -10.557 -1.032 1.00 0.90 H new ATOM 1249 N ARG A 134 -10.179 -4.930 0.808 1.00 0.51 N ATOM 1250 CA ARG A 134 -9.151 -5.581 -0.054 1.00 0.49 C ATOM 1251 C ARG A 134 -7.942 -5.966 0.801 1.00 0.40 C ATOM 1252 O ARG A 134 -7.138 -5.132 1.178 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.724 -4.612 -1.168 1.00 0.58 C ATOM 1254 CG ARG A 134 -8.178 -5.395 -2.366 1.00 1.06 C ATOM 1255 CD ARG A 134 -7.443 -4.442 -3.312 1.00 1.37 C ATOM 1256 NE ARG A 134 -7.272 -5.094 -4.640 1.00 1.86 N ATOM 1257 CZ ARG A 134 -6.967 -4.374 -5.685 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -6.806 -3.085 -5.564 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -6.826 -4.943 -6.851 1.00 3.36 N ATOM 0 HA ARG A 134 -9.568 -6.480 -0.508 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -9.574 -4.004 -1.478 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.963 -3.928 -0.793 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -7.501 -6.177 -2.024 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -8.994 -5.889 -2.893 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -8.005 -3.515 -3.420 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -6.470 -4.178 -2.896 1.00 1.37 H new ATOM 0 HE ARG A 134 -7.393 -6.103 -4.733 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -6.918 -2.640 -4.653 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -6.568 -2.522 -6.380 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -6.954 -5.950 -6.946 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -6.588 -4.380 -7.668 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.817 -7.230 1.115 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.672 -7.688 1.952 1.00 0.39 C ATOM 1275 C TYR A 135 -5.471 -8.010 1.049 1.00 0.36 C ATOM 1276 O TYR A 135 -5.643 -8.443 -0.072 1.00 0.39 O ATOM 1277 CB TYR A 135 -7.083 -8.950 2.715 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.223 -8.623 3.650 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.530 -8.541 3.154 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -7.976 -8.400 5.011 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.588 -8.238 4.018 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -9.035 -8.097 5.874 1.00 0.85 C ATOM 1283 CZ TYR A 135 -10.342 -8.016 5.377 1.00 0.92 C ATOM 1284 OH TYR A 135 -11.386 -7.716 6.228 1.00 1.17 O ATOM 0 H TYR A 135 -8.462 -7.966 0.826 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.396 -6.903 2.656 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.385 -9.729 2.015 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.236 -9.339 3.279 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.721 -8.712 2.105 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -6.968 -8.462 5.394 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.596 -8.175 3.635 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -8.845 -7.926 6.923 1.00 0.85 H new ATOM 0 HH TYR A 135 -11.042 -7.593 7.137 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.262 -7.822 1.528 1.00 0.37 N ATOM 1295 CA PRO A 136 -3.037 -8.123 0.735 1.00 0.38 C ATOM 1296 C PRO A 136 -2.723 -9.622 0.726 1.00 0.37 C ATOM 1297 O PRO A 136 -2.628 -10.251 1.761 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.945 -7.346 1.475 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.386 -7.361 2.902 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.918 -7.301 2.867 1.00 0.44 C ATOM 0 HA PRO A 136 -3.137 -7.843 -0.314 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.970 -7.818 1.355 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.855 -6.328 1.097 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -2.042 -8.263 3.408 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.974 -6.512 3.448 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.360 -7.907 3.658 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.281 -6.283 3.005 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.561 -10.197 -0.431 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.252 -11.651 -0.496 1.00 0.43 C ATOM 1310 C LEU A 137 -0.924 -11.913 0.218 1.00 0.41 C ATOM 1311 O LEU A 137 -0.702 -12.976 0.762 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.152 -12.082 -1.965 1.00 0.51 C ATOM 1313 CG LEU A 137 -3.550 -12.031 -2.623 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -3.411 -11.787 -4.130 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -4.296 -13.352 -2.396 1.00 0.92 C ATOM 0 H LEU A 137 -2.629 -9.725 -1.333 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.042 -12.223 -0.009 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.464 -11.427 -2.500 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -1.746 -13.091 -2.030 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.114 -11.216 -2.169 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -4.401 -11.753 -4.586 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -2.900 -10.839 -4.300 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -2.833 -12.596 -4.578 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.278 -13.300 -2.865 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -3.727 -14.171 -2.835 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.413 -13.524 -1.326 1.00 0.92 H new ATOM 1327 N THR A 138 -0.042 -10.948 0.230 1.00 0.50 N ATOM 1328 CA THR A 138 1.265 -11.150 0.919 1.00 0.55 C ATOM 1329 C THR A 138 1.015 -11.296 2.424 1.00 0.47 C ATOM 1330 O THR A 138 -0.074 -11.058 2.910 1.00 0.50 O ATOM 1331 CB THR A 138 2.196 -9.945 0.647 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.710 -9.223 -0.476 1.00 0.98 O ATOM 1333 CG2 THR A 138 3.625 -10.425 0.359 1.00 1.04 C ATOM 0 H THR A 138 -0.170 -10.034 -0.205 1.00 0.50 H new ATOM 0 HA THR A 138 1.747 -12.051 0.540 1.00 0.55 H new ATOM 0 HB THR A 138 2.210 -9.304 1.528 1.00 0.73 H new ATOM 0 HG1 THR A 138 2.426 -9.128 -1.139 1.00 0.98 H new ATOM 0 HG21 THR A 138 4.267 -9.564 0.170 1.00 1.04 H new ATOM 0 HG22 THR A 138 4.003 -10.978 1.219 1.00 1.04 H new ATOM 0 HG23 THR A 138 3.621 -11.074 -0.517 1.00 1.04 H new ATOM 1341 N PHE A 139 2.017 -11.696 3.159 1.00 0.51 N ATOM 1342 CA PHE A 139 1.860 -11.876 4.637 1.00 0.49 C ATOM 1343 C PHE A 139 2.477 -10.705 5.398 1.00 0.65 C ATOM 1344 O PHE A 139 1.797 -9.844 5.919 1.00 1.43 O ATOM 1345 CB PHE A 139 2.545 -13.180 5.056 1.00 0.52 C ATOM 1346 CG PHE A 139 2.184 -13.504 6.486 1.00 0.50 C ATOM 1347 CD1 PHE A 139 2.910 -12.936 7.539 1.00 0.59 C ATOM 1348 CD2 PHE A 139 1.120 -14.374 6.758 1.00 0.67 C ATOM 1349 CE1 PHE A 139 2.574 -13.236 8.864 1.00 0.62 C ATOM 1350 CE2 PHE A 139 0.784 -14.674 8.083 1.00 0.77 C ATOM 1351 CZ PHE A 139 1.510 -14.105 9.136 1.00 0.66 C ATOM 0 H PHE A 139 2.947 -11.908 2.798 1.00 0.51 H new ATOM 0 HA PHE A 139 0.797 -11.916 4.876 1.00 0.49 H new ATOM 0 HB2 PHE A 139 2.236 -13.993 4.399 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.626 -13.083 4.956 1.00 0.52 H new ATOM 0 HD1 PHE A 139 3.730 -12.266 7.329 1.00 0.59 H new ATOM 0 HD2 PHE A 139 0.560 -14.813 5.946 1.00 0.67 H new ATOM 0 HE1 PHE A 139 3.135 -12.798 9.676 1.00 0.62 H new ATOM 0 HE2 PHE A 139 -0.036 -15.345 8.293 1.00 0.77 H new ATOM 0 HZ PHE A 139 1.250 -14.336 10.158 1.00 0.66 H new ATOM 1361 N GLY A 140 3.764 -10.702 5.484 1.00 0.46 N ATOM 1362 CA GLY A 140 4.493 -9.636 6.235 1.00 0.43 C ATOM 1363 C GLY A 140 3.968 -8.238 5.885 1.00 0.35 C ATOM 1364 O GLY A 140 4.159 -7.298 6.630 1.00 0.32 O ATOM 0 H GLY A 140 4.366 -11.407 5.058 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.387 -9.807 7.306 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.557 -9.693 6.007 1.00 0.43 H new ATOM 1368 N TRP A 141 3.322 -8.083 4.768 1.00 0.34 N ATOM 1369 CA TRP A 141 2.808 -6.730 4.392 1.00 0.29 C ATOM 1370 C TRP A 141 1.588 -6.397 5.254 1.00 0.32 C ATOM 1371 O TRP A 141 0.480 -6.813 4.979 1.00 0.40 O ATOM 1372 CB TRP A 141 2.450 -6.750 2.902 1.00 0.33 C ATOM 1373 CG TRP A 141 2.245 -5.367 2.351 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.164 -5.005 1.624 1.00 0.35 C ATOM 1375 CD2 TRP A 141 3.104 -4.172 2.424 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.289 -3.684 1.248 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.461 -3.125 1.712 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.354 -3.884 3.024 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 3.026 -1.855 1.597 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.921 -2.600 2.905 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.259 -1.591 2.194 1.00 0.33 C ATOM 0 H TRP A 141 3.125 -8.827 4.098 1.00 0.34 H new ATOM 0 HA TRP A 141 3.562 -5.962 4.565 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.244 -7.247 2.345 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.543 -7.336 2.755 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.333 -5.649 1.377 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.597 -3.181 0.693 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.875 -4.653 3.576 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.512 -1.080 1.049 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.875 -2.392 3.366 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.702 -0.610 2.108 1.00 0.33 H new ATOM 1392 N CYS A 142 1.802 -5.669 6.324 1.00 0.31 N ATOM 1393 CA CYS A 142 0.679 -5.326 7.246 1.00 0.40 C ATOM 1394 C CYS A 142 -0.124 -4.127 6.732 1.00 0.39 C ATOM 1395 O CYS A 142 -0.784 -3.451 7.496 1.00 0.48 O ATOM 1396 CB CYS A 142 1.267 -4.999 8.623 1.00 0.47 C ATOM 1397 SG CYS A 142 2.865 -4.181 8.408 1.00 1.45 S ATOM 0 H CYS A 142 2.712 -5.297 6.597 1.00 0.31 H new ATOM 0 HA CYS A 142 0.000 -6.177 7.307 1.00 0.40 H new ATOM 0 HB2 CYS A 142 0.586 -4.354 9.178 1.00 0.47 H new ATOM 0 HB3 CYS A 142 1.388 -5.912 9.206 1.00 0.47 H new ATOM 0 HG CYS A 142 3.633 -4.455 9.421 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.095 -3.863 5.458 1.00 0.38 N ATOM 1404 CA TYR A 143 -0.877 -2.711 4.909 1.00 0.40 C ATOM 1405 C TYR A 143 -2.116 -3.274 4.208 1.00 0.43 C ATOM 1406 O TYR A 143 -2.010 -4.001 3.240 1.00 0.65 O ATOM 1407 CB TYR A 143 0.006 -1.946 3.903 1.00 0.55 C ATOM 1408 CG TYR A 143 0.628 -0.725 4.554 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.194 0.279 5.070 1.00 2.16 C ATOM 1410 CD2 TYR A 143 2.022 -0.593 4.626 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.370 1.416 5.659 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.589 0.546 5.213 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.762 1.551 5.730 1.00 3.52 C ATOM 1414 OH TYR A 143 2.318 2.674 6.305 1.00 4.57 O ATOM 0 H TYR A 143 0.436 -4.393 4.767 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.182 -2.028 5.702 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.790 -2.603 3.527 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -0.593 -1.641 3.045 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.268 0.178 5.014 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.659 -1.370 4.229 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -0.268 2.190 6.059 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.663 0.649 5.267 1.00 3.14 H new ATOM 0 HH TYR A 143 3.295 2.608 6.274 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.291 -2.955 4.698 1.00 0.39 N ATOM 1425 CA LYS A 144 -4.544 -3.479 4.076 1.00 0.51 C ATOM 1426 C LYS A 144 -5.497 -2.322 3.783 1.00 0.43 C ATOM 1427 O LYS A 144 -5.737 -1.467 4.613 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.198 -4.471 5.044 1.00 0.70 C ATOM 1429 CG LYS A 144 -5.290 -3.859 6.446 1.00 1.21 C ATOM 1430 CD LYS A 144 -5.999 -4.838 7.395 1.00 1.24 C ATOM 1431 CE LYS A 144 -5.133 -6.087 7.630 1.00 1.57 C ATOM 1432 NZ LYS A 144 -5.380 -7.079 6.545 1.00 2.32 N ATOM 0 H LYS A 144 -3.434 -2.350 5.507 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.312 -3.984 3.138 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -6.194 -4.735 4.688 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -4.617 -5.393 5.079 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -4.292 -3.633 6.821 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -5.836 -2.916 6.406 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -6.204 -4.347 8.346 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -6.961 -5.130 6.973 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -4.079 -5.812 7.652 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -5.367 -6.527 8.599 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -5.492 -8.026 6.960 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -6.246 -6.822 6.030 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -4.574 -7.082 5.887 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.037 -2.282 2.595 1.00 0.40 N ATOM 1447 CA LEU A 145 -6.966 -1.179 2.237 1.00 0.37 C ATOM 1448 C LEU A 145 -8.343 -1.456 2.837 1.00 0.38 C ATOM 1449 O LEU A 145 -8.809 -2.580 2.860 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.077 -1.078 0.714 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.722 -0.644 0.111 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.602 -1.158 -1.327 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.619 0.887 0.104 1.00 0.52 C ATOM 0 H LEU A 145 -5.873 -2.968 1.858 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.583 -0.238 2.633 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.377 -2.040 0.299 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -7.851 -0.359 0.445 1.00 0.42 H new ATOM 0 HG LEU A 145 -4.919 -1.063 0.718 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.644 -0.848 -1.745 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.665 -2.246 -1.331 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.412 -0.746 -1.929 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -4.661 1.185 -0.322 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.429 1.303 -0.495 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -5.694 1.261 1.125 1.00 0.52 H new ATOM 1465 N VAL A 146 -8.999 -0.434 3.312 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.353 -0.605 3.915 1.00 0.50 C ATOM 1467 C VAL A 146 -11.083 0.742 3.797 1.00 0.59 C ATOM 1468 O VAL A 146 -10.498 1.775 4.060 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.216 -0.947 5.413 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.593 -1.252 6.007 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.309 -2.166 5.616 1.00 0.56 C ATOM 0 H VAL A 146 -8.651 0.525 3.308 1.00 0.43 H new ATOM 0 HA VAL A 146 -10.894 -1.403 3.407 1.00 0.50 H new ATOM 0 HB VAL A 146 -9.774 -0.086 5.915 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.488 -1.493 7.065 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.238 -0.381 5.895 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.035 -2.100 5.484 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.229 -2.387 6.680 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -9.734 -3.026 5.098 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.318 -1.954 5.214 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.338 0.762 3.401 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.087 2.044 3.265 1.00 0.81 C ATOM 1483 C PRO A 147 -13.302 2.729 4.622 1.00 0.91 C ATOM 1484 O PRO A 147 -13.021 2.169 5.663 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.425 1.635 2.621 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.589 0.181 2.943 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.177 -0.401 3.041 1.00 0.75 C ATOM 0 HA PRO A 147 -12.543 2.774 2.666 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.251 2.223 3.022 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.410 1.800 1.544 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.129 0.049 3.880 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.165 -0.326 2.169 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.119 -1.185 3.796 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.861 -0.845 2.097 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.410 4.613 -0.817 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.871 3.563 0.116 1.00 0.52 C ATOM 1782 C LEU A 181 -8.624 4.093 0.822 1.00 0.47 C ATOM 1783 O LEU A 181 -7.830 4.786 0.235 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.474 2.320 -0.687 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.681 1.783 -1.474 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.187 0.926 -2.644 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.566 0.924 -0.559 1.00 0.87 C ATOM 0 HA LEU A 181 -10.640 3.313 0.847 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.664 2.566 -1.374 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.098 1.549 -0.014 1.00 0.60 H new ATOM 0 HG LEU A 181 -11.262 2.625 -1.850 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.042 0.545 -3.202 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.565 1.533 -3.302 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -9.602 0.090 -2.261 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.418 0.548 -1.125 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -10.986 0.084 -0.176 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -11.923 1.529 0.275 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.447 3.766 2.080 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.240 4.246 2.836 1.00 0.45 C ATOM 1801 C GLU A 182 -6.407 3.065 3.324 1.00 0.42 C ATOM 1802 O GLU A 182 -6.916 2.044 3.739 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.684 5.083 4.039 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.783 4.342 4.802 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.173 5.145 6.045 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -8.393 5.992 6.448 1.00 1.62 O ATOM 1807 OE2 GLU A 182 -10.245 4.899 6.573 1.00 1.49 O ATOM 0 H GLU A 182 -9.088 3.185 2.620 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.632 4.854 2.166 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -6.835 5.272 4.696 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.051 6.053 3.704 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.653 4.199 4.161 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.434 3.351 5.091 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.112 3.224 3.278 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.194 2.149 3.737 1.00 0.38 C ATOM 1816 C TRP A 183 -4.249 2.080 5.266 1.00 0.37 C ATOM 1817 O TRP A 183 -3.733 2.941 5.950 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.761 2.503 3.295 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.498 2.020 1.902 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.260 0.735 1.550 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.422 2.801 0.676 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.040 0.681 0.184 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.132 1.929 -0.399 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.575 4.169 0.398 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.997 2.400 -1.705 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.440 4.648 -0.914 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -2.152 3.766 -1.964 1.00 0.41 C ATOM 0 H TRP A 183 -4.648 4.066 2.937 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.486 1.189 3.311 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.617 3.582 3.343 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.043 2.055 3.982 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.244 -0.109 2.224 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.835 -0.176 -0.329 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.798 4.857 1.200 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.775 1.715 -2.510 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.559 5.702 -1.116 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -2.050 4.140 -2.972 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.864 1.067 5.811 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.940 0.956 7.297 1.00 0.35 C ATOM 1840 C ARG A 184 -3.737 0.156 7.796 1.00 0.31 C ATOM 1841 O ARG A 184 -3.674 -1.051 7.662 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.245 0.247 7.688 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.559 0.483 9.172 1.00 0.98 C ATOM 1844 CD ARG A 184 -8.017 0.102 9.448 1.00 1.51 C ATOM 1845 NE ARG A 184 -8.918 1.156 8.897 1.00 1.57 N ATOM 1846 CZ ARG A 184 -10.190 0.913 8.730 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -10.680 -0.254 9.045 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -10.972 1.836 8.241 1.00 2.61 N ATOM 0 H ARG A 184 -5.316 0.313 5.294 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.927 1.948 7.749 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -7.065 0.617 7.073 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.158 -0.822 7.494 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -5.891 -0.111 9.796 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -6.389 1.528 9.430 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -8.245 -0.861 8.992 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -8.179 -0.006 10.520 1.00 1.51 H new ATOM 0 HE ARG A 184 -8.539 2.070 8.650 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -10.069 -0.979 9.422 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -11.674 -0.442 8.914 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -10.590 2.747 7.989 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -11.966 1.646 8.111 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.773 0.837 8.354 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.547 0.146 8.860 1.00 0.31 C ATOM 1864 C PHE A 185 -1.888 -0.710 10.089 1.00 0.31 C ATOM 1865 O PHE A 185 -2.593 -0.282 10.981 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.510 1.209 9.236 1.00 0.40 C ATOM 1867 CG PHE A 185 0.666 0.579 9.950 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.570 0.252 11.309 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.858 0.336 9.255 1.00 0.62 C ATOM 1870 CE1 PHE A 185 1.664 -0.320 11.969 1.00 0.75 C ATOM 1871 CE2 PHE A 185 2.951 -0.233 9.917 1.00 0.74 C ATOM 1872 CZ PHE A 185 2.854 -0.562 11.273 1.00 0.71 C ATOM 0 H PHE A 185 -2.780 1.849 8.483 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.148 -0.509 8.086 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.165 1.721 8.338 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.969 1.962 9.876 1.00 0.40 H new ATOM 0 HD1 PHE A 185 -0.347 0.441 11.847 1.00 0.65 H new ATOM 0 HD2 PHE A 185 1.933 0.588 8.208 1.00 0.62 H new ATOM 0 HE1 PHE A 185 1.590 -0.575 13.016 1.00 0.75 H new ATOM 0 HE2 PHE A 185 3.870 -0.418 9.381 1.00 0.74 H new ATOM 0 HZ PHE A 185 3.698 -1.003 11.783 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.389 -1.921 10.137 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.672 -2.816 11.294 1.00 0.32 C ATOM 1884 C ASP A 186 -0.529 -3.835 11.434 1.00 0.30 C ATOM 1885 O ASP A 186 -0.697 -5.010 11.175 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.984 -3.547 11.021 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.550 -4.125 12.323 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -3.016 -3.811 13.375 1.00 1.23 O ATOM 1889 OD2 ASP A 186 -4.510 -4.875 12.245 1.00 1.16 O ATOM 0 H ASP A 186 -0.793 -2.328 9.416 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.751 -2.239 12.216 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.705 -2.861 10.576 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.819 -4.348 10.301 1.00 0.37 H new ATOM 1894 N SER A 187 0.633 -3.386 11.827 1.00 0.33 N ATOM 1895 CA SER A 187 1.800 -4.314 11.967 1.00 0.34 C ATOM 1896 C SER A 187 1.376 -5.597 12.699 1.00 0.35 C ATOM 1897 O SER A 187 2.092 -6.579 12.697 1.00 0.37 O ATOM 1898 CB SER A 187 2.911 -3.606 12.764 1.00 0.40 C ATOM 1899 OG SER A 187 3.445 -4.490 13.742 1.00 1.32 O ATOM 0 H SER A 187 0.828 -2.412 12.059 1.00 0.33 H new ATOM 0 HA SER A 187 2.167 -4.583 10.977 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.701 -3.277 12.089 1.00 0.40 H new ATOM 0 HB3 SER A 187 2.512 -2.714 13.247 1.00 0.40 H new ATOM 0 HG SER A 187 4.152 -4.034 14.244 1.00 1.32 H new ATOM 1905 N ARG A 188 0.230 -5.608 13.323 1.00 0.40 N ATOM 1906 CA ARG A 188 -0.204 -6.844 14.041 1.00 0.46 C ATOM 1907 C ARG A 188 -0.364 -7.969 13.017 1.00 0.42 C ATOM 1908 O ARG A 188 -0.385 -9.137 13.347 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.544 -6.588 14.740 1.00 0.58 C ATOM 1910 CG ARG A 188 -1.314 -5.791 16.028 1.00 1.40 C ATOM 1911 CD ARG A 188 -0.690 -4.432 15.693 1.00 1.75 C ATOM 1912 NE ARG A 188 -0.908 -3.494 16.830 1.00 2.37 N ATOM 1913 CZ ARG A 188 -0.219 -2.388 16.906 1.00 2.99 C ATOM 1914 NH1 ARG A 188 0.661 -2.105 15.985 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -0.412 -1.566 17.901 1.00 3.87 N ATOM 0 H ARG A 188 -0.420 -4.824 13.368 1.00 0.40 H new ATOM 0 HA ARG A 188 0.538 -7.123 14.789 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -2.212 -6.039 14.076 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -2.031 -7.535 14.970 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -2.259 -5.648 16.552 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -0.659 -6.347 16.698 1.00 1.40 H new ATOM 0 HD2 ARG A 188 0.377 -4.547 15.501 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -1.136 -4.029 14.784 1.00 1.75 H new ATOM 0 HE ARG A 188 -1.596 -3.716 17.549 1.00 2.37 H new ATOM 0 HH11 ARG A 188 0.810 -2.748 15.207 1.00 3.19 H new ATOM 0 HH12 ARG A 188 1.200 -1.241 16.043 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -1.101 -1.788 18.619 1.00 3.87 H new ATOM 0 HH22 ARG A 188 0.126 -0.702 17.960 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.458 -7.607 11.770 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.598 -8.614 10.684 1.00 0.46 C ATOM 1931 C LEU A 189 0.684 -9.460 10.639 1.00 0.41 C ATOM 1932 O LEU A 189 0.819 -10.366 9.840 1.00 0.46 O ATOM 1933 CB LEU A 189 -0.780 -7.852 9.352 1.00 0.57 C ATOM 1934 CG LEU A 189 -1.823 -8.513 8.432 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -1.367 -9.926 8.075 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -3.217 -8.544 9.094 1.00 1.78 C ATOM 0 H LEU A 189 -0.443 -6.638 11.452 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.453 -9.268 10.854 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -1.084 -6.827 9.562 1.00 0.57 H new ATOM 0 HB3 LEU A 189 0.177 -7.801 8.833 1.00 0.57 H new ATOM 0 HG LEU A 189 -1.907 -7.920 7.521 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -2.106 -10.393 7.424 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -0.407 -9.879 7.560 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -1.262 -10.515 8.986 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -3.930 -9.017 8.419 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -3.166 -9.112 10.023 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -3.541 -7.525 9.308 1.00 1.78 H new ATOM 1948 N ALA A 190 1.634 -9.145 11.479 1.00 0.37 N ATOM 1949 CA ALA A 190 2.921 -9.899 11.477 1.00 0.42 C ATOM 1950 C ALA A 190 2.703 -11.294 12.057 1.00 0.44 C ATOM 1951 O ALA A 190 3.610 -12.100 12.105 1.00 0.53 O ATOM 1952 CB ALA A 190 3.944 -9.153 12.334 1.00 0.47 C ATOM 0 H ALA A 190 1.574 -8.396 12.168 1.00 0.37 H new ATOM 0 HA ALA A 190 3.287 -9.985 10.454 1.00 0.42 H new ATOM 0 HB1 ALA A 190 4.886 -9.701 12.335 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.104 -8.156 11.924 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.572 -9.070 13.355 1.00 0.47 H new ATOM 1958 N PHE A 191 1.508 -11.588 12.501 1.00 0.42 N ATOM 1959 CA PHE A 191 1.235 -12.945 13.084 1.00 0.51 C ATOM 1960 C PHE A 191 -0.137 -13.448 12.630 1.00 0.56 C ATOM 1961 O PHE A 191 -0.370 -14.636 12.535 1.00 0.96 O ATOM 1962 CB PHE A 191 1.274 -12.858 14.611 1.00 0.58 C ATOM 1963 CG PHE A 191 0.160 -11.961 15.097 1.00 1.14 C ATOM 1964 CD1 PHE A 191 -1.144 -12.459 15.205 1.00 1.98 C ATOM 1965 CD2 PHE A 191 0.433 -10.632 15.443 1.00 1.81 C ATOM 1966 CE1 PHE A 191 -2.174 -11.629 15.657 1.00 2.87 C ATOM 1967 CE2 PHE A 191 -0.597 -9.801 15.896 1.00 2.75 C ATOM 1968 CZ PHE A 191 -1.902 -10.299 16.003 1.00 3.15 C ATOM 0 H PHE A 191 0.710 -10.953 12.487 1.00 0.42 H new ATOM 0 HA PHE A 191 1.997 -13.643 12.738 1.00 0.51 H new ATOM 0 HB2 PHE A 191 1.169 -13.853 15.045 1.00 0.58 H new ATOM 0 HB3 PHE A 191 2.238 -12.468 14.938 1.00 0.58 H new ATOM 0 HD1 PHE A 191 -1.354 -13.484 14.939 1.00 1.98 H new ATOM 0 HD2 PHE A 191 1.439 -10.248 15.360 1.00 1.81 H new ATOM 0 HE1 PHE A 191 -3.180 -12.013 15.740 1.00 2.87 H new ATOM 0 HE2 PHE A 191 -0.386 -8.776 16.163 1.00 2.75 H new ATOM 0 HZ PHE A 191 -2.698 -9.658 16.352 1.00 3.15 H new ATOM 1978 N HIS A 192 -1.049 -12.558 12.354 1.00 0.64 N ATOM 1979 CA HIS A 192 -2.404 -12.996 11.912 1.00 0.72 C ATOM 1980 C HIS A 192 -2.333 -13.506 10.468 1.00 0.67 C ATOM 1981 O HIS A 192 -1.307 -13.424 9.821 1.00 1.26 O ATOM 1982 CB HIS A 192 -3.364 -11.810 11.997 1.00 1.01 C ATOM 1983 CG HIS A 192 -4.776 -12.286 11.800 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -5.368 -13.212 12.643 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -5.727 -11.971 10.861 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -6.621 -13.421 12.199 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -6.892 -12.689 11.116 1.00 3.35 N ATOM 0 H HIS A 192 -0.916 -11.549 12.415 1.00 0.64 H new ATOM 0 HA HIS A 192 -2.761 -13.800 12.556 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -3.267 -11.320 12.966 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -3.110 -11.069 11.238 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -5.592 -11.273 10.048 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -7.322 -14.099 12.663 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -7.765 -12.662 10.589 1.00 3.35 H new ATOM 1995 N HIS A 193 -3.416 -14.037 9.958 1.00 0.77 N ATOM 1996 CA HIS A 193 -3.414 -14.559 8.556 1.00 0.85 C ATOM 1997 C HIS A 193 -4.827 -14.440 7.968 1.00 0.74 C ATOM 1998 O HIS A 193 -5.371 -15.386 7.433 1.00 0.78 O ATOM 1999 CB HIS A 193 -2.977 -16.033 8.568 1.00 1.28 C ATOM 2000 CG HIS A 193 -2.467 -16.433 7.210 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -2.605 -15.619 6.096 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -1.806 -17.555 6.773 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -2.038 -16.256 5.055 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -1.536 -17.441 5.411 1.00 3.87 N ATOM 0 H HIS A 193 -4.303 -14.132 10.453 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.721 -13.980 7.945 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -2.199 -16.183 9.316 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -3.817 -16.667 8.851 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -1.536 -18.398 7.392 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -1.994 -15.857 4.052 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -1.058 -18.117 4.815 1.00 3.87 H new ATOM 2012 N MET A 194 -5.424 -13.284 8.073 1.00 0.73 N ATOM 2013 CA MET A 194 -6.802 -13.093 7.533 1.00 0.79 C ATOM 2014 C MET A 194 -6.873 -13.566 6.074 1.00 0.75 C ATOM 2015 O MET A 194 -7.912 -13.981 5.601 1.00 0.90 O ATOM 2016 CB MET A 194 -7.203 -11.605 7.621 1.00 0.91 C ATOM 2017 CG MET A 194 -6.040 -10.691 7.200 1.00 1.47 C ATOM 2018 SD MET A 194 -5.774 -10.825 5.418 1.00 2.35 S ATOM 2019 CE MET A 194 -4.025 -10.367 5.407 1.00 2.94 C ATOM 0 H MET A 194 -5.015 -12.459 8.512 1.00 0.73 H new ATOM 0 HA MET A 194 -7.495 -13.686 8.130 1.00 0.79 H new ATOM 0 HB2 MET A 194 -8.065 -11.419 6.981 1.00 0.91 H new ATOM 0 HB3 MET A 194 -7.506 -11.367 8.641 1.00 0.91 H new ATOM 0 HG2 MET A 194 -6.262 -9.658 7.468 1.00 1.47 H new ATOM 0 HG3 MET A 194 -5.133 -10.971 7.735 1.00 1.47 H new ATOM 0 HE1 MET A 194 -3.741 -10.041 4.407 1.00 2.94 H new ATOM 0 HE2 MET A 194 -3.857 -9.555 6.115 1.00 2.94 H new ATOM 0 HE3 MET A 194 -3.422 -11.228 5.693 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.788 -13.497 5.355 1.00 0.66 N ATOM 2030 CA ALA A 195 -5.809 -13.932 3.929 1.00 0.76 C ATOM 2031 C ALA A 195 -6.270 -15.390 3.845 1.00 0.90 C ATOM 2032 O ALA A 195 -7.043 -15.759 2.983 1.00 1.11 O ATOM 2033 CB ALA A 195 -4.407 -13.800 3.334 1.00 0.82 C ATOM 0 H ALA A 195 -4.887 -13.158 5.692 1.00 0.66 H new ATOM 0 HA ALA A 195 -6.500 -13.303 3.367 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -4.423 -14.118 2.292 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -4.084 -12.761 3.391 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -3.713 -14.427 3.894 1.00 0.82 H new