USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=22 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 88 SER OG : rot -99:sc= -0.217! USER MOD Set 1.2: A 89 HIS : no HE2:sc= -4.9! C(o=-5.1!,f=-6.2!) USER MOD Set 1.3: A 187 SER OG : rot 130:sc= -0.025 USER MOD Set 2.1: A 125 GLN : amide:sc= 0.931 K(o=2.1,f=-1.1!) USER MOD Set 2.2: A 127 TYR OH : rot 137:sc= 1.15 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -170:sc= -1.5! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -174:sc= 1.18 (180deg=1.12) USER MOD Single : A 92 LYS NZ :NH3+ -164:sc=-0.00927 (180deg=-0.176) USER MOD Single : A 94 LYS NZ :NH3+ 160:sc= -0.0548 (180deg=-0.44) USER MOD Single : A 102 HIS : no HE2:sc= -1.81 K(o=-1.8,f=-3.5!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.652 X(o=-0.65,f=-0.32) USER MOD Single : A 107 GLN : amide:sc= -2.26! C(o=-2.3!,f=-5.3!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.536 K(o=-0.54,f=-2.1) USER MOD Single : A 117 THR OG1 : rot -112:sc= 0.649 USER MOD Single : A 118 GLN :FLIP amide:sc= -0.052 F(o=-2.2!,f=-0.052) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.1) USER MOD Single : A 128 THR OG1 : rot -110:sc= -1.52 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= -0.923! USER MOD Single : A 142 CYS SG : rot 42:sc= -0.999 USER MOD Single : A 143 TYR OH : rot -91:sc= -1.39! USER MOD Single : A 144 LYS NZ :NH3+ -161:sc= -1.26 (180deg=-2.02) USER MOD Single : A 192 HIS : no HD1:sc= -3.47! C(o=-3.5!,f=-4.7!) USER MOD Single : A 193 HIS : no HD1:sc= -2.18! X(o=-2.2!,f=-1.8) USER MOD Single : A 194 MET CE :methyl -172:sc= 0 (180deg=-0.0127) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 18.380 -1.160 -9.461 1.00 1.04 N ATOM 275 CA VAL A 74 19.607 -1.678 -8.781 1.00 0.93 C ATOM 276 C VAL A 74 19.567 -3.209 -8.834 1.00 0.86 C ATOM 277 O VAL A 74 18.504 -3.789 -8.927 1.00 0.89 O ATOM 278 CB VAL A 74 19.608 -1.221 -7.311 1.00 1.09 C ATOM 279 CG1 VAL A 74 20.100 0.224 -7.213 1.00 1.17 C ATOM 280 CG2 VAL A 74 18.190 -1.310 -6.740 1.00 1.38 C ATOM 0 HA VAL A 74 20.503 -1.301 -9.274 1.00 0.93 H new ATOM 0 HB VAL A 74 20.273 -1.870 -6.741 1.00 1.09 H new ATOM 0 HG11 VAL A 74 20.097 0.539 -6.170 1.00 1.17 H new ATOM 0 HG12 VAL A 74 21.113 0.291 -7.610 1.00 1.17 H new ATOM 0 HG13 VAL A 74 19.441 0.873 -7.790 1.00 1.17 H new ATOM 0 HG21 VAL A 74 18.196 -0.986 -5.699 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.525 -0.668 -7.317 1.00 1.38 H new ATOM 0 HG23 VAL A 74 17.839 -2.340 -6.797 1.00 1.38 H new ATOM 290 N PRO A 75 20.705 -3.866 -8.772 1.00 0.93 N ATOM 291 CA PRO A 75 20.768 -5.353 -8.806 1.00 1.00 C ATOM 292 C PRO A 75 19.568 -5.986 -8.092 1.00 0.88 C ATOM 293 O PRO A 75 19.299 -5.706 -6.940 1.00 0.84 O ATOM 294 CB PRO A 75 22.077 -5.650 -8.078 1.00 1.18 C ATOM 295 CG PRO A 75 22.972 -4.500 -8.437 1.00 1.37 C ATOM 296 CD PRO A 75 22.056 -3.280 -8.668 1.00 1.13 C ATOM 0 HA PRO A 75 20.734 -5.762 -9.816 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.927 -5.715 -7.000 1.00 1.18 H new ATOM 0 HB3 PRO A 75 22.503 -6.601 -8.399 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.686 -4.302 -7.638 1.00 1.37 H new ATOM 0 HG3 PRO A 75 23.550 -4.725 -9.333 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.121 -2.570 -7.844 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.329 -2.741 -9.575 1.00 1.13 H new ATOM 304 N LEU A 76 18.831 -6.813 -8.780 1.00 0.86 N ATOM 305 CA LEU A 76 17.629 -7.434 -8.154 1.00 0.77 C ATOM 306 C LEU A 76 18.037 -8.274 -6.944 1.00 0.77 C ATOM 307 O LEU A 76 18.422 -9.420 -7.068 1.00 0.85 O ATOM 308 CB LEU A 76 16.919 -8.334 -9.175 1.00 0.84 C ATOM 309 CG LEU A 76 16.401 -7.501 -10.357 1.00 0.87 C ATOM 310 CD1 LEU A 76 15.949 -8.446 -11.476 1.00 1.01 C ATOM 311 CD2 LEU A 76 15.214 -6.623 -9.918 1.00 0.76 C ATOM 0 H LEU A 76 19.008 -7.086 -9.747 1.00 0.86 H new ATOM 0 HA LEU A 76 16.955 -6.641 -7.830 1.00 0.77 H new ATOM 0 HB2 LEU A 76 17.607 -9.099 -9.535 1.00 0.84 H new ATOM 0 HB3 LEU A 76 16.088 -8.853 -8.696 1.00 0.84 H new ATOM 0 HG LEU A 76 17.202 -6.853 -10.714 1.00 0.87 H new ATOM 0 HD11 LEU A 76 15.580 -7.862 -12.319 1.00 1.01 H new ATOM 0 HD12 LEU A 76 16.792 -9.057 -11.799 1.00 1.01 H new ATOM 0 HD13 LEU A 76 15.153 -9.093 -11.107 1.00 1.01 H new ATOM 0 HD21 LEU A 76 14.859 -6.039 -10.768 1.00 0.76 H new ATOM 0 HD22 LEU A 76 14.407 -7.258 -9.552 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.534 -5.949 -9.123 1.00 0.76 H new ATOM 323 N ARG A 77 17.926 -7.717 -5.769 1.00 0.74 N ATOM 324 CA ARG A 77 18.273 -8.481 -4.540 1.00 0.79 C ATOM 325 C ARG A 77 17.059 -9.345 -4.161 1.00 0.71 C ATOM 326 O ARG A 77 15.943 -9.026 -4.518 1.00 0.73 O ATOM 327 CB ARG A 77 18.591 -7.484 -3.408 1.00 0.85 C ATOM 328 CG ARG A 77 20.072 -7.081 -3.464 1.00 1.19 C ATOM 329 CD ARG A 77 20.288 -5.780 -2.687 1.00 1.52 C ATOM 330 NE ARG A 77 19.526 -5.827 -1.407 1.00 2.13 N ATOM 331 CZ ARG A 77 19.798 -4.973 -0.459 1.00 2.66 C ATOM 332 NH1 ARG A 77 20.734 -4.081 -0.635 1.00 2.73 N ATOM 333 NH2 ARG A 77 19.136 -5.009 0.665 1.00 3.61 N ATOM 0 H ARG A 77 17.608 -6.761 -5.608 1.00 0.74 H new ATOM 0 HA ARG A 77 19.142 -9.118 -4.705 1.00 0.79 H new ATOM 0 HB2 ARG A 77 17.961 -6.600 -3.503 1.00 0.85 H new ATOM 0 HB3 ARG A 77 18.364 -7.934 -2.441 1.00 0.85 H new ATOM 0 HG2 ARG A 77 20.690 -7.874 -3.042 1.00 1.19 H new ATOM 0 HG3 ARG A 77 20.384 -6.952 -4.500 1.00 1.19 H new ATOM 0 HD2 ARG A 77 21.350 -5.638 -2.484 1.00 1.52 H new ATOM 0 HD3 ARG A 77 19.961 -4.929 -3.285 1.00 1.52 H new ATOM 0 HE ARG A 77 18.794 -6.525 -1.273 1.00 2.13 H new ATOM 0 HH11 ARG A 77 21.252 -4.052 -1.513 1.00 2.73 H new ATOM 0 HH12 ARG A 77 20.947 -3.413 0.106 1.00 2.73 H new ATOM 0 HH21 ARG A 77 18.404 -5.706 0.804 1.00 3.61 H new ATOM 0 HH22 ARG A 77 19.350 -4.340 1.405 1.00 3.61 H new ATOM 347 N PRO A 78 17.261 -10.425 -3.447 1.00 0.79 N ATOM 348 CA PRO A 78 16.140 -11.319 -3.026 1.00 0.76 C ATOM 349 C PRO A 78 15.281 -10.672 -1.928 1.00 0.67 C ATOM 350 O PRO A 78 15.753 -10.382 -0.847 1.00 0.69 O ATOM 351 CB PRO A 78 16.856 -12.575 -2.502 1.00 0.86 C ATOM 352 CG PRO A 78 18.199 -12.092 -2.052 1.00 1.18 C ATOM 353 CD PRO A 78 18.566 -10.921 -2.971 1.00 1.06 C ATOM 0 HA PRO A 78 15.448 -11.532 -3.841 1.00 0.76 H new ATOM 0 HB2 PRO A 78 16.304 -13.031 -1.680 1.00 0.86 H new ATOM 0 HB3 PRO A 78 16.949 -13.331 -3.281 1.00 0.86 H new ATOM 0 HG2 PRO A 78 18.168 -11.774 -1.010 1.00 1.18 H new ATOM 0 HG3 PRO A 78 18.941 -12.887 -2.121 1.00 1.18 H new ATOM 0 HD2 PRO A 78 19.116 -10.148 -2.434 1.00 1.06 H new ATOM 0 HD3 PRO A 78 19.197 -11.245 -3.799 1.00 1.06 H new ATOM 361 N MET A 79 14.025 -10.435 -2.204 1.00 0.65 N ATOM 362 CA MET A 79 13.139 -9.798 -1.185 1.00 0.61 C ATOM 363 C MET A 79 12.938 -10.746 0.000 1.00 0.51 C ATOM 364 O MET A 79 12.509 -11.872 -0.158 1.00 0.56 O ATOM 365 CB MET A 79 11.783 -9.483 -1.820 1.00 0.66 C ATOM 366 CG MET A 79 10.882 -8.805 -0.789 1.00 0.74 C ATOM 367 SD MET A 79 9.411 -8.154 -1.617 1.00 1.25 S ATOM 368 CE MET A 79 8.934 -6.968 -0.336 1.00 0.83 C ATOM 0 H MET A 79 13.574 -10.655 -3.092 1.00 0.65 H new ATOM 0 HA MET A 79 13.604 -8.878 -0.831 1.00 0.61 H new ATOM 0 HB2 MET A 79 11.917 -8.833 -2.685 1.00 0.66 H new ATOM 0 HB3 MET A 79 11.316 -10.400 -2.179 1.00 0.66 H new ATOM 0 HG2 MET A 79 10.593 -9.518 -0.017 1.00 0.74 H new ATOM 0 HG3 MET A 79 11.421 -7.998 -0.293 1.00 0.74 H new ATOM 0 HE1 MET A 79 8.030 -6.443 -0.645 1.00 0.83 H new ATOM 0 HE2 MET A 79 8.745 -7.498 0.598 1.00 0.83 H new ATOM 0 HE3 MET A 79 9.739 -6.249 -0.188 1.00 0.83 H new ATOM 378 N THR A 80 13.245 -10.299 1.192 1.00 0.56 N ATOM 379 CA THR A 80 13.077 -11.170 2.395 1.00 0.60 C ATOM 380 C THR A 80 11.708 -10.953 3.021 1.00 0.56 C ATOM 381 O THR A 80 11.198 -9.854 3.051 1.00 0.50 O ATOM 382 CB THR A 80 14.162 -10.838 3.429 1.00 0.77 C ATOM 383 OG1 THR A 80 13.786 -9.678 4.157 1.00 0.94 O ATOM 384 CG2 THR A 80 15.493 -10.586 2.717 1.00 0.73 C ATOM 0 H THR A 80 13.606 -9.365 1.384 1.00 0.56 H new ATOM 0 HA THR A 80 13.166 -12.211 2.085 1.00 0.60 H new ATOM 0 HB THR A 80 14.274 -11.677 4.116 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.542 -9.375 4.703 1.00 0.94 H new ATOM 0 HG21 THR A 80 16.261 -10.351 3.454 1.00 0.73 H new ATOM 0 HG22 THR A 80 15.784 -11.478 2.162 1.00 0.73 H new ATOM 0 HG23 THR A 80 15.384 -9.749 2.027 1.00 0.73 H new ATOM 392 N TYR A 81 11.114 -11.990 3.562 1.00 0.61 N ATOM 393 CA TYR A 81 9.797 -11.806 4.231 1.00 0.60 C ATOM 394 C TYR A 81 10.018 -10.682 5.241 1.00 0.51 C ATOM 395 O TYR A 81 9.218 -9.779 5.392 1.00 0.45 O ATOM 396 CB TYR A 81 9.380 -13.136 4.919 1.00 0.69 C ATOM 397 CG TYR A 81 8.932 -12.906 6.354 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.693 -12.307 6.614 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.763 -13.283 7.416 1.00 0.71 C ATOM 400 CE1 TYR A 81 7.286 -12.088 7.936 1.00 0.66 C ATOM 401 CE2 TYR A 81 9.356 -13.063 8.737 1.00 0.77 C ATOM 402 CZ TYR A 81 8.117 -12.466 8.997 1.00 0.73 C ATOM 403 OH TYR A 81 7.715 -12.248 10.298 1.00 0.90 O ATOM 0 H TYR A 81 11.482 -12.941 3.568 1.00 0.61 H new ATOM 0 HA TYR A 81 8.994 -11.549 3.540 1.00 0.60 H new ATOM 0 HB2 TYR A 81 8.571 -13.601 4.355 1.00 0.69 H new ATOM 0 HB3 TYR A 81 10.219 -13.832 4.906 1.00 0.69 H new ATOM 0 HD1 TYR A 81 7.052 -12.014 5.796 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.719 -13.744 7.216 1.00 0.71 H new ATOM 0 HE1 TYR A 81 6.330 -11.627 8.137 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.998 -13.354 9.555 1.00 0.77 H new ATOM 0 HH TYR A 81 8.407 -12.569 10.913 1.00 0.90 H new ATOM 413 N LYS A 82 11.145 -10.729 5.891 1.00 0.52 N ATOM 414 CA LYS A 82 11.499 -9.667 6.851 1.00 0.48 C ATOM 415 C LYS A 82 11.548 -8.344 6.090 1.00 0.40 C ATOM 416 O LYS A 82 11.304 -7.291 6.646 1.00 0.38 O ATOM 417 CB LYS A 82 12.870 -9.972 7.459 1.00 0.55 C ATOM 418 CG LYS A 82 13.093 -9.104 8.697 1.00 0.60 C ATOM 419 CD LYS A 82 14.376 -9.547 9.403 1.00 0.92 C ATOM 420 CE LYS A 82 14.659 -8.618 10.586 1.00 1.49 C ATOM 421 NZ LYS A 82 15.219 -7.333 10.083 1.00 2.32 N ATOM 0 H LYS A 82 11.840 -11.469 5.792 1.00 0.52 H new ATOM 0 HA LYS A 82 10.764 -9.610 7.654 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.932 -11.027 7.727 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.653 -9.783 6.725 1.00 0.55 H new ATOM 0 HG2 LYS A 82 13.166 -8.055 8.411 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.243 -9.191 9.374 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.275 -10.575 9.751 1.00 0.92 H new ATOM 0 HD3 LYS A 82 15.213 -9.528 8.704 1.00 0.92 H new ATOM 0 HE2 LYS A 82 13.742 -8.434 11.145 1.00 1.49 H new ATOM 0 HE3 LYS A 82 15.362 -9.090 11.273 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 15.506 -6.741 10.888 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 16.046 -7.526 9.483 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 14.496 -6.834 9.526 1.00 2.32 H new ATOM 435 N ALA A 83 11.858 -8.381 4.811 1.00 0.42 N ATOM 436 CA ALA A 83 11.908 -7.100 4.042 1.00 0.41 C ATOM 437 C ALA A 83 10.517 -6.453 4.045 1.00 0.35 C ATOM 438 O ALA A 83 10.380 -5.251 4.147 1.00 0.34 O ATOM 439 CB ALA A 83 12.340 -7.367 2.595 1.00 0.52 C ATOM 0 H ALA A 83 12.073 -9.225 4.280 1.00 0.42 H new ATOM 0 HA ALA A 83 12.630 -6.432 4.511 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.372 -6.426 2.046 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.329 -7.825 2.589 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.626 -8.040 2.120 1.00 0.52 H new ATOM 445 N ALA A 84 9.485 -7.247 3.930 1.00 0.34 N ATOM 446 CA ALA A 84 8.100 -6.687 3.921 1.00 0.31 C ATOM 447 C ALA A 84 7.788 -6.033 5.270 1.00 0.28 C ATOM 448 O ALA A 84 7.366 -4.896 5.333 1.00 0.28 O ATOM 449 CB ALA A 84 7.099 -7.816 3.661 1.00 0.34 C ATOM 0 H ALA A 84 9.541 -8.262 3.842 1.00 0.34 H new ATOM 0 HA ALA A 84 8.024 -5.936 3.135 1.00 0.31 H new ATOM 0 HB1 ALA A 84 6.087 -7.411 3.654 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.312 -8.276 2.696 1.00 0.34 H new ATOM 0 HB3 ALA A 84 7.184 -8.566 4.448 1.00 0.34 H new ATOM 455 N VAL A 85 7.980 -6.743 6.349 1.00 0.29 N ATOM 456 CA VAL A 85 7.679 -6.155 7.686 1.00 0.29 C ATOM 457 C VAL A 85 8.592 -4.958 7.936 1.00 0.29 C ATOM 458 O VAL A 85 8.150 -3.910 8.365 1.00 0.30 O ATOM 459 CB VAL A 85 7.899 -7.198 8.785 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.278 -6.692 10.087 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.237 -8.522 8.395 1.00 0.38 C ATOM 0 H VAL A 85 8.331 -7.701 6.363 1.00 0.29 H new ATOM 0 HA VAL A 85 6.638 -5.834 7.702 1.00 0.29 H new ATOM 0 HB VAL A 85 8.969 -7.358 8.917 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.431 -7.430 10.874 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.750 -5.752 10.374 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.210 -6.532 9.942 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.400 -9.256 9.184 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.167 -8.367 8.259 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.672 -8.886 7.465 1.00 0.38 H new ATOM 471 N ASP A 86 9.859 -5.093 7.666 1.00 0.30 N ATOM 472 CA ASP A 86 10.776 -3.946 7.885 1.00 0.32 C ATOM 473 C ASP A 86 10.298 -2.786 7.012 1.00 0.30 C ATOM 474 O ASP A 86 10.264 -1.647 7.431 1.00 0.31 O ATOM 475 CB ASP A 86 12.200 -4.344 7.486 1.00 0.36 C ATOM 476 CG ASP A 86 12.824 -5.205 8.589 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.105 -5.579 9.500 1.00 1.05 O ATOM 478 OD2 ASP A 86 14.011 -5.475 8.501 1.00 1.23 O ATOM 0 H ASP A 86 10.295 -5.942 7.306 1.00 0.30 H new ATOM 0 HA ASP A 86 10.777 -3.653 8.935 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.184 -4.896 6.546 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.805 -3.452 7.322 1.00 0.36 H new ATOM 483 N LEU A 87 9.912 -3.080 5.799 1.00 0.29 N ATOM 484 CA LEU A 87 9.413 -2.011 4.890 1.00 0.30 C ATOM 485 C LEU A 87 8.151 -1.392 5.491 1.00 0.29 C ATOM 486 O LEU A 87 7.960 -0.193 5.457 1.00 0.30 O ATOM 487 CB LEU A 87 9.088 -2.620 3.519 1.00 0.33 C ATOM 488 CG LEU A 87 8.692 -1.519 2.519 1.00 0.42 C ATOM 489 CD1 LEU A 87 9.907 -0.634 2.182 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.161 -2.174 1.237 1.00 0.44 C ATOM 0 H LEU A 87 9.921 -4.018 5.399 1.00 0.29 H new ATOM 0 HA LEU A 87 10.175 -1.241 4.770 1.00 0.30 H new ATOM 0 HB2 LEU A 87 9.953 -3.166 3.143 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.275 -3.339 3.618 1.00 0.33 H new ATOM 0 HG LEU A 87 7.920 -0.893 2.965 1.00 0.42 H new ATOM 0 HD11 LEU A 87 9.609 0.139 1.474 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.281 -0.167 3.093 1.00 0.52 H new ATOM 0 HD13 LEU A 87 10.692 -1.247 1.740 1.00 0.52 H new ATOM 0 HD21 LEU A 87 7.878 -1.400 0.523 1.00 0.44 H new ATOM 0 HD22 LEU A 87 8.937 -2.803 0.801 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.290 -2.785 1.474 1.00 0.44 H new ATOM 502 N SER A 88 7.284 -2.203 6.039 1.00 0.30 N ATOM 503 CA SER A 88 6.034 -1.656 6.634 1.00 0.34 C ATOM 504 C SER A 88 6.366 -0.468 7.542 1.00 0.33 C ATOM 505 O SER A 88 5.894 0.632 7.333 1.00 0.36 O ATOM 506 CB SER A 88 5.341 -2.746 7.455 1.00 0.40 C ATOM 507 OG SER A 88 5.865 -2.742 8.776 1.00 0.44 O ATOM 0 H SER A 88 7.389 -3.216 6.099 1.00 0.30 H new ATOM 0 HA SER A 88 5.372 -1.323 5.834 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.265 -2.572 7.477 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.497 -3.721 6.992 1.00 0.40 H new ATOM 0 HG SER A 88 6.535 -3.451 8.864 1.00 0.44 H new ATOM 513 N HIS A 89 7.160 -0.677 8.554 1.00 0.34 N ATOM 514 CA HIS A 89 7.497 0.445 9.475 1.00 0.36 C ATOM 515 C HIS A 89 8.441 1.432 8.789 1.00 0.36 C ATOM 516 O HIS A 89 8.491 2.593 9.145 1.00 0.41 O ATOM 517 CB HIS A 89 8.175 -0.100 10.731 1.00 0.41 C ATOM 518 CG HIS A 89 7.236 -1.018 11.464 1.00 0.52 C ATOM 519 ND1 HIS A 89 6.395 -0.563 12.467 1.00 1.43 N ATOM 520 CD2 HIS A 89 7.011 -2.367 11.366 1.00 1.01 C ATOM 521 CE1 HIS A 89 5.712 -1.625 12.933 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.049 -2.749 12.295 1.00 0.82 N ATOM 0 H HIS A 89 7.590 -1.573 8.784 1.00 0.34 H new ATOM 0 HA HIS A 89 6.574 0.958 9.746 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.084 -0.637 10.460 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.473 0.723 11.380 1.00 0.41 H new ATOM 0 HD1 HIS A 89 6.309 0.400 12.792 1.00 1.43 H new ATOM 0 HD2 HIS A 89 7.505 -3.032 10.673 1.00 1.01 H new ATOM 0 HE1 HIS A 89 4.981 -1.574 13.726 1.00 1.27 H new ATOM 530 N PHE A 90 9.193 0.999 7.817 1.00 0.34 N ATOM 531 CA PHE A 90 10.116 1.951 7.144 1.00 0.37 C ATOM 532 C PHE A 90 9.303 3.119 6.592 1.00 0.40 C ATOM 533 O PHE A 90 9.470 4.253 6.994 1.00 0.47 O ATOM 534 CB PHE A 90 10.842 1.253 5.996 1.00 0.38 C ATOM 535 CG PHE A 90 11.936 2.157 5.486 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.215 2.101 6.055 1.00 0.57 C ATOM 537 CD2 PHE A 90 11.671 3.058 4.449 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.228 2.947 5.586 1.00 0.69 C ATOM 539 CE2 PHE A 90 12.683 3.903 3.978 1.00 0.70 C ATOM 540 CZ PHE A 90 13.961 3.847 4.547 1.00 0.72 C ATOM 0 H PHE A 90 9.209 0.042 7.464 1.00 0.34 H new ATOM 0 HA PHE A 90 10.853 2.312 7.862 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.263 0.307 6.337 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.142 1.020 5.194 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.420 1.405 6.855 1.00 0.57 H new ATOM 0 HD2 PHE A 90 10.685 3.102 4.011 1.00 0.59 H new ATOM 0 HE1 PHE A 90 15.214 2.905 6.025 1.00 0.69 H new ATOM 0 HE2 PHE A 90 12.478 4.597 3.177 1.00 0.70 H new ATOM 0 HZ PHE A 90 14.742 4.499 4.184 1.00 0.72 H new ATOM 550 N LEU A 91 8.420 2.848 5.672 1.00 0.37 N ATOM 551 CA LEU A 91 7.591 3.937 5.091 1.00 0.42 C ATOM 552 C LEU A 91 6.775 4.612 6.195 1.00 0.47 C ATOM 553 O LEU A 91 6.415 5.767 6.086 1.00 0.57 O ATOM 554 CB LEU A 91 6.651 3.354 4.035 1.00 0.41 C ATOM 555 CG LEU A 91 7.477 2.703 2.913 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.555 1.858 2.023 1.00 0.42 C ATOM 557 CD2 LEU A 91 8.173 3.787 2.065 1.00 0.54 C ATOM 0 H LEU A 91 8.237 1.917 5.297 1.00 0.37 H new ATOM 0 HA LEU A 91 8.242 4.678 4.626 1.00 0.42 H new ATOM 0 HB2 LEU A 91 5.990 2.616 4.489 1.00 0.41 H new ATOM 0 HB3 LEU A 91 6.017 4.140 3.625 1.00 0.41 H new ATOM 0 HG LEU A 91 8.240 2.063 3.357 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.140 1.396 1.228 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.082 1.081 2.623 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.787 2.496 1.585 1.00 0.42 H new ATOM 0 HD21 LEU A 91 8.754 3.313 1.274 1.00 0.54 H new ATOM 0 HD22 LEU A 91 7.421 4.440 1.621 1.00 0.54 H new ATOM 0 HD23 LEU A 91 8.836 4.376 2.699 1.00 0.54 H new ATOM 569 N LYS A 92 6.478 3.913 7.259 1.00 0.45 N ATOM 570 CA LYS A 92 5.688 4.542 8.354 1.00 0.53 C ATOM 571 C LYS A 92 6.495 5.691 8.965 1.00 0.63 C ATOM 572 O LYS A 92 6.006 6.791 9.126 1.00 0.85 O ATOM 573 CB LYS A 92 5.383 3.502 9.436 1.00 0.54 C ATOM 574 CG LYS A 92 4.332 4.065 10.398 1.00 0.73 C ATOM 575 CD LYS A 92 4.280 3.203 11.660 1.00 1.20 C ATOM 576 CE LYS A 92 3.306 3.826 12.662 1.00 1.61 C ATOM 577 NZ LYS A 92 3.928 5.036 13.270 1.00 2.27 N ATOM 0 H LYS A 92 6.747 2.941 7.415 1.00 0.45 H new ATOM 0 HA LYS A 92 4.751 4.925 7.950 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.019 2.582 8.980 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.293 3.249 9.981 1.00 0.54 H new ATOM 0 HG2 LYS A 92 4.577 5.095 10.658 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.355 4.082 9.916 1.00 0.73 H new ATOM 0 HD2 LYS A 92 3.963 2.191 11.409 1.00 1.20 H new ATOM 0 HD3 LYS A 92 5.273 3.126 12.102 1.00 1.20 H new ATOM 0 HE2 LYS A 92 2.375 4.094 12.162 1.00 1.61 H new ATOM 0 HE3 LYS A 92 3.054 3.104 13.439 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 3.403 5.302 14.127 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 4.917 4.830 13.519 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 3.899 5.821 12.588 1.00 2.27 H new ATOM 591 N GLU A 93 7.730 5.441 9.309 1.00 0.62 N ATOM 592 CA GLU A 93 8.571 6.512 9.915 1.00 0.76 C ATOM 593 C GLU A 93 8.897 7.578 8.868 1.00 0.77 C ATOM 594 O GLU A 93 8.992 8.751 9.174 1.00 1.05 O ATOM 595 CB GLU A 93 9.875 5.902 10.436 1.00 0.94 C ATOM 596 CG GLU A 93 9.556 4.868 11.518 1.00 1.22 C ATOM 597 CD GLU A 93 10.860 4.336 12.117 1.00 2.00 C ATOM 598 OE1 GLU A 93 11.621 5.137 12.634 1.00 2.54 O ATOM 599 OE2 GLU A 93 11.073 3.137 12.047 1.00 2.73 O ATOM 0 H GLU A 93 8.193 4.539 9.196 1.00 0.62 H new ATOM 0 HA GLU A 93 8.023 6.972 10.737 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.422 5.432 9.618 1.00 0.94 H new ATOM 0 HB3 GLU A 93 10.518 6.683 10.842 1.00 0.94 H new ATOM 0 HG2 GLU A 93 8.943 5.320 12.298 1.00 1.22 H new ATOM 0 HG3 GLU A 93 8.978 4.048 11.093 1.00 1.22 H new ATOM 606 N LYS A 94 9.077 7.186 7.636 1.00 0.80 N ATOM 607 CA LYS A 94 9.405 8.183 6.579 1.00 1.02 C ATOM 608 C LYS A 94 8.131 8.945 6.185 1.00 0.96 C ATOM 609 O LYS A 94 7.966 10.101 6.519 1.00 1.41 O ATOM 610 CB LYS A 94 10.003 7.455 5.353 1.00 1.39 C ATOM 611 CG LYS A 94 11.533 7.363 5.474 1.00 1.63 C ATOM 612 CD LYS A 94 11.907 6.454 6.649 1.00 2.18 C ATOM 613 CE LYS A 94 13.426 6.450 6.827 1.00 2.61 C ATOM 614 NZ LYS A 94 13.867 7.787 7.315 1.00 2.96 N ATOM 0 H LYS A 94 9.011 6.220 7.317 1.00 0.80 H new ATOM 0 HA LYS A 94 10.139 8.896 6.955 1.00 1.02 H new ATOM 0 HB2 LYS A 94 9.578 6.454 5.274 1.00 1.39 H new ATOM 0 HB3 LYS A 94 9.736 7.988 4.440 1.00 1.39 H new ATOM 0 HG2 LYS A 94 11.957 6.971 4.550 1.00 1.63 H new ATOM 0 HG3 LYS A 94 11.956 8.357 5.622 1.00 1.63 H new ATOM 0 HD2 LYS A 94 11.424 6.804 7.561 1.00 2.18 H new ATOM 0 HD3 LYS A 94 11.549 5.441 6.467 1.00 2.18 H new ATOM 0 HE2 LYS A 94 13.719 5.676 7.537 1.00 2.61 H new ATOM 0 HE3 LYS A 94 13.914 6.216 5.881 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 14.806 7.704 7.754 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 13.916 8.450 6.515 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 13.187 8.142 8.017 1.00 2.96 H new ATOM 628 N GLY A 95 7.231 8.307 5.474 1.00 1.12 N ATOM 629 CA GLY A 95 5.966 8.993 5.051 1.00 1.51 C ATOM 630 C GLY A 95 4.801 8.496 5.910 1.00 1.10 C ATOM 631 O GLY A 95 4.907 7.506 6.604 1.00 1.71 O ATOM 0 H GLY A 95 7.318 7.338 5.167 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.073 10.073 5.155 1.00 1.51 H new ATOM 0 HA3 GLY A 95 5.766 8.793 3.998 1.00 1.51 H new ATOM 635 N GLY A 96 3.685 9.181 5.866 1.00 1.17 N ATOM 636 CA GLY A 96 2.499 8.759 6.675 1.00 0.99 C ATOM 637 C GLY A 96 1.494 8.047 5.766 1.00 0.81 C ATOM 638 O GLY A 96 0.535 8.637 5.310 1.00 0.83 O ATOM 0 H GLY A 96 3.544 10.019 5.302 1.00 1.17 H new ATOM 0 HA2 GLY A 96 2.812 8.095 7.481 1.00 0.99 H new ATOM 0 HA3 GLY A 96 2.034 9.628 7.140 1.00 0.99 H new ATOM 642 N LEU A 97 1.700 6.784 5.491 1.00 0.67 N ATOM 643 CA LEU A 97 0.747 6.059 4.604 1.00 0.55 C ATOM 644 C LEU A 97 -0.505 5.706 5.408 1.00 0.46 C ATOM 645 O LEU A 97 -1.603 5.668 4.889 1.00 0.49 O ATOM 646 CB LEU A 97 1.403 4.770 4.090 1.00 0.54 C ATOM 647 CG LEU A 97 0.498 4.087 3.046 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.639 4.770 1.680 1.00 0.65 C ATOM 649 CD2 LEU A 97 0.900 2.615 2.907 1.00 0.66 C ATOM 0 H LEU A 97 2.481 6.229 5.840 1.00 0.67 H new ATOM 0 HA LEU A 97 0.479 6.689 3.756 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.372 4.999 3.647 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.586 4.090 4.922 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.537 4.166 3.380 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.008 4.274 0.956 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.351 5.818 1.766 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.674 4.705 1.346 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.260 2.131 2.169 1.00 0.66 H new ATOM 0 HD22 LEU A 97 1.939 2.551 2.585 1.00 0.66 H new ATOM 0 HD23 LEU A 97 0.787 2.115 3.869 1.00 0.66 H new ATOM 661 N GLU A 98 -0.344 5.443 6.675 1.00 0.44 N ATOM 662 CA GLU A 98 -1.511 5.087 7.524 1.00 0.40 C ATOM 663 C GLU A 98 -2.632 6.100 7.327 1.00 0.40 C ATOM 664 O GLU A 98 -2.408 7.285 7.182 1.00 0.58 O ATOM 665 CB GLU A 98 -1.091 5.087 8.992 1.00 0.49 C ATOM 666 CG GLU A 98 -2.306 4.807 9.878 1.00 0.48 C ATOM 667 CD GLU A 98 -1.838 4.432 11.286 1.00 1.26 C ATOM 668 OE1 GLU A 98 -1.508 3.276 11.491 1.00 2.03 O ATOM 669 OE2 GLU A 98 -1.820 5.309 12.136 1.00 1.94 O ATOM 0 H GLU A 98 0.553 5.460 7.160 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.866 4.097 7.238 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.324 4.331 9.161 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.652 6.050 9.254 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.949 5.686 9.920 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.900 3.998 9.453 1.00 0.48 H new ATOM 676 N GLY A 99 -3.839 5.630 7.345 1.00 0.39 N ATOM 677 CA GLY A 99 -5.008 6.534 7.183 1.00 0.42 C ATOM 678 C GLY A 99 -4.865 7.396 5.919 1.00 0.42 C ATOM 679 O GLY A 99 -5.685 8.252 5.656 1.00 0.46 O ATOM 0 H GLY A 99 -4.073 4.645 7.467 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.923 5.945 7.124 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -5.099 7.177 8.058 1.00 0.42 H new ATOM 683 N LEU A 100 -3.842 7.183 5.132 1.00 0.41 N ATOM 684 CA LEU A 100 -3.682 8.006 3.892 1.00 0.43 C ATOM 685 C LEU A 100 -4.696 7.528 2.842 1.00 0.42 C ATOM 686 O LEU A 100 -4.663 6.397 2.404 1.00 0.44 O ATOM 687 CB LEU A 100 -2.251 7.850 3.354 1.00 0.45 C ATOM 688 CG LEU A 100 -1.958 8.921 2.282 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.488 10.220 2.948 1.00 1.15 C ATOM 690 CD2 LEU A 100 -0.853 8.424 1.339 1.00 1.17 C ATOM 0 H LEU A 100 -3.117 6.483 5.290 1.00 0.41 H new ATOM 0 HA LEU A 100 -3.861 9.058 4.116 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.536 7.941 4.172 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.123 6.855 2.927 1.00 0.45 H new ATOM 0 HG LEU A 100 -2.873 9.108 1.719 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.284 10.968 2.182 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.266 10.588 3.617 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -0.579 10.028 3.519 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -0.650 9.184 0.584 1.00 1.17 H new ATOM 0 HD22 LEU A 100 0.054 8.230 1.912 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.177 7.505 0.851 1.00 1.17 H new ATOM 702 N ILE A 101 -5.625 8.370 2.462 1.00 0.44 N ATOM 703 CA ILE A 101 -6.661 7.944 1.472 1.00 0.45 C ATOM 704 C ILE A 101 -6.055 7.652 0.091 1.00 0.46 C ATOM 705 O ILE A 101 -5.602 8.535 -0.611 1.00 0.49 O ATOM 706 CB ILE A 101 -7.766 9.015 1.386 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.703 8.896 2.617 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.578 8.847 0.095 1.00 0.54 C ATOM 709 CD1 ILE A 101 -9.759 7.777 2.438 1.00 0.52 C ATOM 0 H ILE A 101 -5.710 9.331 2.793 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.100 7.008 1.819 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.300 10.001 1.377 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.108 8.693 3.507 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.208 9.848 2.781 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.354 9.611 0.051 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -7.918 8.950 -0.766 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.040 7.860 0.082 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.393 7.730 3.324 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.373 7.993 1.564 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.255 6.820 2.301 1.00 0.52 H new ATOM 721 N HIS A 102 -6.086 6.402 -0.305 1.00 0.47 N ATOM 722 CA HIS A 102 -5.562 6.005 -1.643 1.00 0.51 C ATOM 723 C HIS A 102 -6.510 6.536 -2.727 1.00 0.58 C ATOM 724 O HIS A 102 -7.566 5.977 -2.966 1.00 0.64 O ATOM 725 CB HIS A 102 -5.482 4.465 -1.710 1.00 0.57 C ATOM 726 CG HIS A 102 -5.484 3.987 -3.142 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.648 3.595 -3.786 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.479 3.836 -4.060 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.315 3.232 -5.037 1.00 1.36 C ATOM 730 NE2 HIS A 102 -5.005 3.359 -5.257 1.00 0.70 N ATOM 0 H HIS A 102 -6.458 5.633 0.252 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.568 6.423 -1.803 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.577 4.122 -1.209 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.326 4.029 -1.176 1.00 0.57 H new ATOM 0 HD1 HIS A 102 -7.585 3.584 -3.384 1.00 1.41 H new ATOM 0 HD2 HIS A 102 -3.436 4.054 -3.882 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -7.022 2.880 -5.774 1.00 1.36 H new ATOM 738 N SER A 103 -6.142 7.597 -3.392 1.00 0.60 N ATOM 739 CA SER A 103 -7.020 8.141 -4.464 1.00 0.69 C ATOM 740 C SER A 103 -7.050 7.149 -5.631 1.00 0.76 C ATOM 741 O SER A 103 -8.033 6.473 -5.862 1.00 0.85 O ATOM 742 CB SER A 103 -6.467 9.481 -4.946 1.00 0.74 C ATOM 743 OG SER A 103 -7.150 9.872 -6.131 1.00 1.49 O ATOM 0 H SER A 103 -5.273 8.109 -3.239 1.00 0.60 H new ATOM 0 HA SER A 103 -8.029 8.288 -4.078 1.00 0.69 H new ATOM 0 HB2 SER A 103 -6.593 10.239 -4.173 1.00 0.74 H new ATOM 0 HB3 SER A 103 -5.398 9.398 -5.139 1.00 0.74 H new ATOM 0 HG SER A 103 -6.799 10.732 -6.442 1.00 1.49 H new ATOM 749 N GLN A 104 -5.970 7.058 -6.361 1.00 0.81 N ATOM 750 CA GLN A 104 -5.916 6.111 -7.512 1.00 0.92 C ATOM 751 C GLN A 104 -4.485 6.065 -8.058 1.00 0.93 C ATOM 752 O GLN A 104 -3.951 5.013 -8.348 1.00 1.37 O ATOM 753 CB GLN A 104 -6.874 6.584 -8.612 1.00 1.06 C ATOM 754 CG GLN A 104 -7.159 5.432 -9.576 1.00 1.76 C ATOM 755 CD GLN A 104 -8.041 4.395 -8.881 1.00 2.14 C ATOM 756 OE1 GLN A 104 -9.248 4.528 -8.850 1.00 2.64 O ATOM 757 NE2 GLN A 104 -7.486 3.360 -8.309 1.00 2.70 N ATOM 0 H GLN A 104 -5.120 7.601 -6.209 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.214 5.115 -7.183 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.805 6.939 -8.169 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -6.437 7.424 -9.152 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -7.656 5.807 -10.471 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -6.224 4.973 -9.898 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -6.473 3.246 -8.334 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -8.066 2.666 -7.838 1.00 2.70 H new ATOM 766 N ARG A 105 -3.863 7.206 -8.195 1.00 0.83 N ATOM 767 CA ARG A 105 -2.466 7.246 -8.715 1.00 0.87 C ATOM 768 C ARG A 105 -1.485 7.010 -7.562 1.00 0.74 C ATOM 769 O ARG A 105 -0.361 6.595 -7.765 1.00 0.70 O ATOM 770 CB ARG A 105 -2.195 8.624 -9.328 1.00 1.06 C ATOM 771 CG ARG A 105 -3.157 8.883 -10.495 1.00 1.71 C ATOM 772 CD ARG A 105 -2.778 8.030 -11.720 1.00 1.99 C ATOM 773 NE ARG A 105 -3.430 6.694 -11.622 1.00 2.86 N ATOM 774 CZ ARG A 105 -3.518 5.938 -12.683 1.00 3.60 C ATOM 775 NH1 ARG A 105 -3.034 6.354 -13.820 1.00 3.73 N ATOM 776 NH2 ARG A 105 -4.088 4.766 -12.608 1.00 4.61 N ATOM 0 H ARG A 105 -4.265 8.116 -7.968 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.337 6.471 -9.471 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -2.315 9.398 -8.570 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -1.164 8.678 -9.678 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -4.177 8.653 -10.188 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -3.135 9.940 -10.762 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -3.091 8.532 -12.636 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -1.696 7.914 -11.774 1.00 1.99 H new ATOM 0 HE ARG A 105 -3.806 6.371 -10.730 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -2.587 7.269 -13.880 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -3.102 5.764 -14.650 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -4.466 4.439 -11.719 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -4.155 4.178 -13.438 1.00 4.61 H new ATOM 790 N ARG A 106 -1.898 7.287 -6.354 1.00 0.71 N ATOM 791 CA ARG A 106 -0.990 7.094 -5.186 1.00 0.65 C ATOM 792 C ARG A 106 -0.482 5.650 -5.149 1.00 0.54 C ATOM 793 O ARG A 106 0.629 5.386 -4.730 1.00 0.50 O ATOM 794 CB ARG A 106 -1.751 7.411 -3.894 1.00 0.70 C ATOM 795 CG ARG A 106 -2.195 8.884 -3.904 1.00 1.01 C ATOM 796 CD ARG A 106 -2.553 9.344 -2.475 1.00 1.24 C ATOM 797 NE ARG A 106 -3.759 10.235 -2.512 1.00 1.86 N ATOM 798 CZ ARG A 106 -3.851 11.222 -3.367 1.00 2.48 C ATOM 799 NH1 ARG A 106 -2.834 11.547 -4.116 1.00 2.86 N ATOM 800 NH2 ARG A 106 -4.954 11.917 -3.439 1.00 3.29 N ATOM 0 H ARG A 106 -2.827 7.640 -6.125 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.136 7.764 -5.279 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.620 6.759 -3.803 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.116 7.218 -3.029 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -1.397 9.509 -4.306 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -3.057 9.007 -4.560 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -2.750 8.478 -1.843 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -1.711 9.876 -2.033 1.00 1.24 H new ATOM 0 HE ARG A 106 -4.523 10.068 -1.857 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -1.958 11.031 -4.038 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -2.915 12.318 -4.779 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -5.740 11.690 -2.830 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -5.029 12.687 -4.104 1.00 3.29 H new ATOM 814 N GLN A 107 -1.277 4.713 -5.585 1.00 0.55 N ATOM 815 CA GLN A 107 -0.826 3.290 -5.576 1.00 0.52 C ATOM 816 C GLN A 107 0.374 3.139 -6.517 1.00 0.49 C ATOM 817 O GLN A 107 1.365 2.521 -6.183 1.00 0.44 O ATOM 818 CB GLN A 107 -1.976 2.387 -6.050 1.00 0.63 C ATOM 819 CG GLN A 107 -1.459 0.966 -6.341 1.00 1.11 C ATOM 820 CD GLN A 107 -0.909 0.892 -7.771 1.00 1.53 C ATOM 821 OE1 GLN A 107 -1.568 1.298 -8.707 1.00 2.13 O ATOM 822 NE2 GLN A 107 0.276 0.388 -7.977 1.00 2.12 N ATOM 0 H GLN A 107 -2.218 4.869 -5.947 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.535 2.999 -4.566 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.754 2.349 -5.288 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.430 2.807 -6.948 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.678 0.701 -5.628 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -2.265 0.243 -6.215 1.00 1.11 H new ATOM 0 HE21 GLN A 107 0.829 0.047 -7.191 1.00 2.12 H new ATOM 0 HE22 GLN A 107 0.650 0.335 -8.925 1.00 2.12 H new ATOM 831 N ASP A 108 0.286 3.694 -7.696 1.00 0.56 N ATOM 832 CA ASP A 108 1.412 3.581 -8.668 1.00 0.59 C ATOM 833 C ASP A 108 2.684 4.204 -8.078 1.00 0.54 C ATOM 834 O ASP A 108 3.727 3.585 -8.040 1.00 0.54 O ATOM 835 CB ASP A 108 1.042 4.315 -9.961 1.00 0.72 C ATOM 836 CG ASP A 108 -0.188 3.658 -10.593 1.00 0.81 C ATOM 837 OD1 ASP A 108 -1.221 3.628 -9.944 1.00 1.33 O ATOM 838 OD2 ASP A 108 -0.078 3.199 -11.719 1.00 1.42 O ATOM 0 H ASP A 108 -0.520 4.223 -8.029 1.00 0.56 H new ATOM 0 HA ASP A 108 1.595 2.527 -8.879 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.837 5.364 -9.749 1.00 0.72 H new ATOM 0 HB3 ASP A 108 1.879 4.288 -10.658 1.00 0.72 H new ATOM 843 N ILE A 109 2.607 5.428 -7.631 1.00 0.55 N ATOM 844 CA ILE A 109 3.815 6.094 -7.060 1.00 0.54 C ATOM 845 C ILE A 109 4.458 5.198 -6.000 1.00 0.47 C ATOM 846 O ILE A 109 5.638 4.911 -6.048 1.00 0.53 O ATOM 847 CB ILE A 109 3.409 7.423 -6.421 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.886 8.366 -7.507 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.623 8.055 -5.737 1.00 0.63 C ATOM 850 CD1 ILE A 109 2.236 9.590 -6.860 1.00 1.47 C ATOM 0 H ILE A 109 1.760 5.997 -7.636 1.00 0.55 H new ATOM 0 HA ILE A 109 4.534 6.273 -7.860 1.00 0.54 H new ATOM 0 HB ILE A 109 2.628 7.248 -5.680 1.00 0.59 H new ATOM 0 HG12 ILE A 109 3.704 8.678 -8.156 1.00 0.70 H new ATOM 0 HG13 ILE A 109 2.161 7.847 -8.134 1.00 0.70 H new ATOM 0 HG21 ILE A 109 4.332 9.002 -5.282 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.998 7.382 -4.966 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.405 8.232 -6.475 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.865 10.258 -7.637 1.00 1.47 H new ATOM 0 HD12 ILE A 109 1.406 9.271 -6.230 1.00 1.47 H new ATOM 0 HD13 ILE A 109 2.973 10.114 -6.252 1.00 1.47 H new ATOM 862 N LEU A 110 3.695 4.763 -5.039 1.00 0.43 N ATOM 863 CA LEU A 110 4.261 3.895 -3.967 1.00 0.39 C ATOM 864 C LEU A 110 5.124 2.790 -4.589 1.00 0.38 C ATOM 865 O LEU A 110 6.329 2.767 -4.433 1.00 0.38 O ATOM 866 CB LEU A 110 3.108 3.272 -3.169 1.00 0.42 C ATOM 867 CG LEU A 110 3.645 2.287 -2.118 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.659 2.990 -1.204 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.473 1.766 -1.274 1.00 0.66 C ATOM 0 H LEU A 110 2.701 4.971 -4.948 1.00 0.43 H new ATOM 0 HA LEU A 110 4.885 4.493 -3.303 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.533 4.057 -2.678 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.428 2.754 -3.846 1.00 0.42 H new ATOM 0 HG LEU A 110 4.140 1.457 -2.622 1.00 0.44 H new ATOM 0 HD11 LEU A 110 5.033 2.283 -0.463 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.491 3.363 -1.802 1.00 0.56 H new ATOM 0 HD13 LEU A 110 4.174 3.824 -0.697 1.00 0.56 H new ATOM 0 HD21 LEU A 110 2.846 1.066 -0.526 1.00 0.66 H new ATOM 0 HD22 LEU A 110 1.983 2.603 -0.776 1.00 0.66 H new ATOM 0 HD23 LEU A 110 1.757 1.258 -1.920 1.00 0.66 H new ATOM 881 N ASP A 111 4.513 1.867 -5.280 1.00 0.40 N ATOM 882 CA ASP A 111 5.287 0.753 -5.903 1.00 0.42 C ATOM 883 C ASP A 111 6.410 1.305 -6.789 1.00 0.43 C ATOM 884 O ASP A 111 7.497 0.762 -6.833 1.00 0.42 O ATOM 885 CB ASP A 111 4.345 -0.101 -6.753 1.00 0.50 C ATOM 886 CG ASP A 111 3.086 -0.429 -5.948 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.208 -0.629 -4.750 1.00 1.30 O ATOM 888 OD2 ASP A 111 2.021 -0.473 -6.541 1.00 1.19 O ATOM 0 H ASP A 111 3.506 1.835 -5.441 1.00 0.40 H new ATOM 0 HA ASP A 111 5.731 0.148 -5.112 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.077 0.432 -7.665 1.00 0.50 H new ATOM 0 HB3 ASP A 111 4.845 -1.021 -7.056 1.00 0.50 H new ATOM 893 N LEU A 112 6.158 2.366 -7.506 1.00 0.48 N ATOM 894 CA LEU A 112 7.216 2.931 -8.398 1.00 0.52 C ATOM 895 C LEU A 112 8.407 3.391 -7.556 1.00 0.48 C ATOM 896 O LEU A 112 9.540 3.060 -7.843 1.00 0.47 O ATOM 897 CB LEU A 112 6.643 4.124 -9.179 1.00 0.60 C ATOM 898 CG LEU A 112 7.643 4.596 -10.257 1.00 0.70 C ATOM 899 CD1 LEU A 112 7.539 3.717 -11.509 1.00 1.45 C ATOM 900 CD2 LEU A 112 7.334 6.047 -10.644 1.00 1.26 C ATOM 0 H LEU A 112 5.269 2.866 -7.514 1.00 0.48 H new ATOM 0 HA LEU A 112 7.547 2.164 -9.099 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.701 3.840 -9.648 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.424 4.943 -8.494 1.00 0.60 H new ATOM 0 HG LEU A 112 8.651 4.522 -9.849 1.00 0.70 H new ATOM 0 HD11 LEU A 112 8.251 4.064 -12.258 1.00 1.45 H new ATOM 0 HD12 LEU A 112 7.763 2.683 -11.247 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.529 3.778 -11.913 1.00 1.45 H new ATOM 0 HD21 LEU A 112 8.040 6.379 -11.405 1.00 1.26 H new ATOM 0 HD22 LEU A 112 6.320 6.110 -11.038 1.00 1.26 H new ATOM 0 HD23 LEU A 112 7.422 6.685 -9.764 1.00 1.26 H new ATOM 912 N TRP A 113 8.167 4.146 -6.522 1.00 0.48 N ATOM 913 CA TRP A 113 9.298 4.614 -5.675 1.00 0.48 C ATOM 914 C TRP A 113 10.156 3.413 -5.283 1.00 0.43 C ATOM 915 O TRP A 113 11.366 3.456 -5.353 1.00 0.45 O ATOM 916 CB TRP A 113 8.749 5.284 -4.414 1.00 0.52 C ATOM 917 CG TRP A 113 9.881 5.700 -3.529 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.650 6.800 -3.710 1.00 0.66 C ATOM 919 CD2 TRP A 113 10.378 5.046 -2.327 1.00 0.55 C ATOM 920 NE1 TRP A 113 11.586 6.863 -2.692 1.00 0.70 N ATOM 921 CE2 TRP A 113 11.458 5.802 -1.814 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.999 3.880 -1.640 1.00 0.51 C ATOM 923 CZ2 TRP A 113 12.136 5.416 -0.656 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.679 3.488 -0.475 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.744 4.255 0.016 1.00 0.67 C ATOM 0 H TRP A 113 7.242 4.458 -6.227 1.00 0.48 H new ATOM 0 HA TRP A 113 9.902 5.332 -6.230 1.00 0.48 H new ATOM 0 HB2 TRP A 113 8.148 6.152 -4.684 1.00 0.52 H new ATOM 0 HB3 TRP A 113 8.093 4.596 -3.881 1.00 0.52 H new ATOM 0 HD1 TRP A 113 10.549 7.511 -4.516 1.00 0.66 H new ATOM 0 HE1 TRP A 113 12.284 7.601 -2.601 1.00 0.70 H new ATOM 0 HE3 TRP A 113 9.180 3.282 -2.010 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.957 6.010 -0.283 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 10.379 2.590 0.045 1.00 0.58 H new ATOM 0 HH2 TRP A 113 12.262 3.949 0.913 1.00 0.67 H new ATOM 936 N ILE A 114 9.536 2.339 -4.878 1.00 0.39 N ATOM 937 CA ILE A 114 10.318 1.136 -4.488 1.00 0.37 C ATOM 938 C ILE A 114 11.171 0.676 -5.673 1.00 0.39 C ATOM 939 O ILE A 114 12.289 0.227 -5.509 1.00 0.44 O ATOM 940 CB ILE A 114 9.367 -0.001 -4.086 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.394 0.471 -2.981 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.182 -1.202 -3.600 1.00 0.42 C ATOM 943 CD1 ILE A 114 9.069 0.477 -1.601 1.00 1.00 C ATOM 0 H ILE A 114 8.523 2.244 -4.801 1.00 0.39 H new ATOM 0 HA ILE A 114 10.959 1.389 -3.643 1.00 0.37 H new ATOM 0 HB ILE A 114 8.778 -0.295 -4.955 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.034 1.473 -3.215 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.523 -0.184 -2.958 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.507 -2.009 -3.315 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.838 -1.544 -4.400 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.782 -0.910 -2.738 1.00 0.42 H new ATOM 0 HD11 ILE A 114 8.356 0.814 -0.849 1.00 1.00 H new ATOM 0 HD12 ILE A 114 9.406 -0.530 -1.356 1.00 1.00 H new ATOM 0 HD13 ILE A 114 9.925 1.152 -1.618 1.00 1.00 H new ATOM 955 N TYR A 115 10.647 0.768 -6.863 1.00 0.40 N ATOM 956 CA TYR A 115 11.416 0.320 -8.059 1.00 0.46 C ATOM 957 C TYR A 115 12.667 1.196 -8.259 1.00 0.51 C ATOM 958 O TYR A 115 13.781 0.713 -8.232 1.00 0.54 O ATOM 959 CB TYR A 115 10.510 0.410 -9.295 1.00 0.53 C ATOM 960 CG TYR A 115 10.998 -0.539 -10.373 1.00 0.59 C ATOM 961 CD1 TYR A 115 10.965 -1.926 -10.158 1.00 0.56 C ATOM 962 CD2 TYR A 115 11.477 -0.033 -11.589 1.00 0.74 C ATOM 963 CE1 TYR A 115 11.410 -2.799 -11.158 1.00 0.65 C ATOM 964 CE2 TYR A 115 11.922 -0.908 -12.587 1.00 0.82 C ATOM 965 CZ TYR A 115 11.889 -2.290 -12.371 1.00 0.77 C ATOM 966 OH TYR A 115 12.327 -3.152 -13.355 1.00 0.87 O ATOM 0 H TYR A 115 9.716 1.135 -7.060 1.00 0.40 H new ATOM 0 HA TYR A 115 11.742 -0.710 -7.912 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.484 0.164 -9.021 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.502 1.431 -9.676 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.597 -2.319 -9.222 1.00 0.56 H new ATOM 0 HD2 TYR A 115 11.503 1.034 -11.756 1.00 0.74 H new ATOM 0 HE1 TYR A 115 11.384 -3.866 -10.993 1.00 0.65 H new ATOM 0 HE2 TYR A 115 12.291 -0.516 -13.524 1.00 0.82 H new ATOM 0 HH TYR A 115 12.626 -2.636 -14.133 1.00 0.87 H new ATOM 976 N HIS A 116 12.488 2.472 -8.483 1.00 0.58 N ATOM 977 CA HIS A 116 13.662 3.372 -8.712 1.00 0.67 C ATOM 978 C HIS A 116 14.558 3.434 -7.470 1.00 0.67 C ATOM 979 O HIS A 116 15.464 4.241 -7.404 1.00 0.81 O ATOM 980 CB HIS A 116 13.163 4.784 -9.032 1.00 0.79 C ATOM 981 CG HIS A 116 12.561 4.814 -10.410 1.00 1.20 C ATOM 982 ND1 HIS A 116 11.795 3.772 -10.905 1.00 1.99 N ATOM 983 CD2 HIS A 116 12.595 5.760 -11.405 1.00 2.05 C ATOM 984 CE1 HIS A 116 11.400 4.113 -12.145 1.00 2.71 C ATOM 985 NE2 HIS A 116 11.861 5.315 -12.500 1.00 2.74 N ATOM 0 H HIS A 116 11.578 2.932 -8.518 1.00 0.58 H new ATOM 0 HA HIS A 116 14.242 2.973 -9.544 1.00 0.67 H new ATOM 0 HB2 HIS A 116 12.422 5.093 -8.295 1.00 0.79 H new ATOM 0 HB3 HIS A 116 13.988 5.493 -8.971 1.00 0.79 H new ATOM 0 HD2 HIS A 116 13.113 6.706 -11.346 1.00 2.05 H new ATOM 0 HE1 HIS A 116 10.784 3.490 -12.777 1.00 2.71 H new ATOM 0 HE2 HIS A 116 11.708 5.802 -13.383 1.00 2.74 H new ATOM 993 N THR A 117 14.313 2.610 -6.480 1.00 0.63 N ATOM 994 CA THR A 117 15.153 2.644 -5.234 1.00 0.68 C ATOM 995 C THR A 117 15.726 1.256 -4.935 1.00 0.66 C ATOM 996 O THR A 117 16.854 0.952 -5.271 1.00 0.73 O ATOM 997 CB THR A 117 14.283 3.094 -4.059 1.00 0.80 C ATOM 998 OG1 THR A 117 13.048 2.395 -4.098 1.00 0.85 O ATOM 999 CG2 THR A 117 14.026 4.601 -4.153 1.00 0.91 C ATOM 0 H THR A 117 13.568 1.914 -6.478 1.00 0.63 H new ATOM 0 HA THR A 117 15.979 3.340 -5.381 1.00 0.68 H new ATOM 0 HB THR A 117 14.796 2.878 -3.122 1.00 0.80 H new ATOM 0 HG1 THR A 117 12.325 3.020 -4.315 1.00 0.85 H new ATOM 0 HG21 THR A 117 13.406 4.917 -3.314 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.976 5.135 -4.124 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.513 4.825 -5.088 1.00 0.91 H new ATOM 1007 N GLN A 118 14.963 0.424 -4.285 1.00 0.73 N ATOM 1008 CA GLN A 118 15.460 -0.935 -3.936 1.00 0.83 C ATOM 1009 C GLN A 118 15.365 -1.851 -5.158 1.00 0.72 C ATOM 1010 O GLN A 118 15.833 -2.972 -5.146 1.00 0.91 O ATOM 1011 CB GLN A 118 14.592 -1.500 -2.817 1.00 1.06 C ATOM 1012 CG GLN A 118 14.590 -0.539 -1.623 1.00 1.48 C ATOM 1013 CD GLN A 118 13.537 -0.982 -0.601 1.00 2.12 C ATOM 1014 OE1 GLN A 118 12.472 -1.625 -1.002 1.00 2.89 O flip ATOM 1015 NE2 GLN A 118 13.686 -0.739 0.581 1.00 2.13 N flip ATOM 0 H GLN A 118 14.012 0.628 -3.979 1.00 0.73 H new ATOM 0 HA GLN A 118 16.500 -0.874 -3.614 1.00 0.83 H new ATOM 0 HB2 GLN A 118 13.574 -1.651 -3.176 1.00 1.06 H new ATOM 0 HB3 GLN A 118 14.969 -2.475 -2.509 1.00 1.06 H new ATOM 0 HG2 GLN A 118 15.576 -0.520 -1.158 1.00 1.48 H new ATOM 0 HG3 GLN A 118 14.378 0.475 -1.961 1.00 1.48 H new ATOM 0 HE21 GLN A 118 14.516 -0.237 0.898 1.00 2.13 H new ATOM 0 HE22 GLN A 118 12.981 -1.037 1.256 1.00 2.13 H new ATOM 1024 N GLY A 119 14.774 -1.375 -6.215 1.00 0.86 N ATOM 1025 CA GLY A 119 14.656 -2.201 -7.449 1.00 0.85 C ATOM 1026 C GLY A 119 14.003 -3.553 -7.143 1.00 0.65 C ATOM 1027 O GLY A 119 14.137 -4.490 -7.906 1.00 0.67 O ATOM 0 H GLY A 119 14.364 -0.443 -6.279 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.065 -1.667 -8.193 1.00 0.85 H new ATOM 0 HA3 GLY A 119 15.644 -2.360 -7.881 1.00 0.85 H new ATOM 1031 N TYR A 120 13.285 -3.679 -6.057 1.00 0.54 N ATOM 1032 CA TYR A 120 12.636 -4.992 -5.779 1.00 0.44 C ATOM 1033 C TYR A 120 11.495 -5.178 -6.779 1.00 0.49 C ATOM 1034 O TYR A 120 10.619 -4.345 -6.899 1.00 0.70 O ATOM 1035 CB TYR A 120 12.060 -5.024 -4.352 1.00 0.48 C ATOM 1036 CG TYR A 120 13.122 -5.429 -3.345 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.756 -6.677 -3.438 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.461 -4.557 -2.306 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.728 -7.040 -2.495 1.00 0.71 C ATOM 1040 CE2 TYR A 120 14.430 -4.920 -1.365 1.00 0.71 C ATOM 1041 CZ TYR A 120 15.063 -6.161 -1.460 1.00 0.75 C ATOM 1042 OH TYR A 120 16.020 -6.520 -0.533 1.00 0.91 O ATOM 0 H TYR A 120 13.123 -2.947 -5.365 1.00 0.54 H new ATOM 0 HA TYR A 120 13.375 -5.788 -5.872 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.665 -4.042 -4.094 1.00 0.48 H new ATOM 0 HB3 TYR A 120 11.226 -5.725 -4.308 1.00 0.48 H new ATOM 0 HD1 TYR A 120 13.496 -7.357 -4.235 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.972 -3.597 -2.230 1.00 0.60 H new ATOM 0 HE1 TYR A 120 15.219 -7.999 -2.568 1.00 0.71 H new ATOM 0 HE2 TYR A 120 14.688 -4.241 -0.566 1.00 0.71 H new ATOM 0 HH TYR A 120 16.134 -5.796 0.117 1.00 0.91 H new ATOM 1052 N PHE A 121 11.496 -6.263 -7.488 1.00 0.48 N ATOM 1053 CA PHE A 121 10.407 -6.506 -8.471 1.00 0.57 C ATOM 1054 C PHE A 121 9.103 -6.735 -7.688 1.00 0.55 C ATOM 1055 O PHE A 121 9.111 -7.402 -6.673 1.00 0.59 O ATOM 1056 CB PHE A 121 10.753 -7.750 -9.296 1.00 0.68 C ATOM 1057 CG PHE A 121 9.792 -7.896 -10.452 1.00 1.42 C ATOM 1058 CD1 PHE A 121 8.547 -8.498 -10.249 1.00 2.33 C ATOM 1059 CD2 PHE A 121 10.150 -7.437 -11.724 1.00 2.32 C ATOM 1060 CE1 PHE A 121 7.655 -8.644 -11.318 1.00 3.43 C ATOM 1061 CE2 PHE A 121 9.259 -7.582 -12.796 1.00 3.44 C ATOM 1062 CZ PHE A 121 8.012 -8.186 -12.592 1.00 3.85 C ATOM 0 H PHE A 121 12.203 -6.996 -7.432 1.00 0.48 H new ATOM 0 HA PHE A 121 10.289 -5.657 -9.144 1.00 0.57 H new ATOM 0 HB2 PHE A 121 11.774 -7.674 -9.670 1.00 0.68 H new ATOM 0 HB3 PHE A 121 10.710 -8.637 -8.664 1.00 0.68 H new ATOM 0 HD1 PHE A 121 8.273 -8.851 -9.266 1.00 2.33 H new ATOM 0 HD2 PHE A 121 11.112 -6.971 -11.880 1.00 2.32 H new ATOM 0 HE1 PHE A 121 6.693 -9.109 -11.160 1.00 3.43 H new ATOM 0 HE2 PHE A 121 9.534 -7.228 -13.779 1.00 3.44 H new ATOM 0 HZ PHE A 121 7.325 -8.299 -13.418 1.00 3.85 H new ATOM 1072 N PRO A 122 7.992 -6.183 -8.121 1.00 0.64 N ATOM 1073 CA PRO A 122 6.696 -6.347 -7.394 1.00 0.67 C ATOM 1074 C PRO A 122 6.133 -7.775 -7.487 1.00 0.73 C ATOM 1075 O PRO A 122 4.961 -7.976 -7.730 1.00 1.19 O ATOM 1076 CB PRO A 122 5.766 -5.328 -8.076 1.00 0.80 C ATOM 1077 CG PRO A 122 6.316 -5.177 -9.459 1.00 1.05 C ATOM 1078 CD PRO A 122 7.833 -5.349 -9.331 1.00 0.87 C ATOM 0 HA PRO A 122 6.808 -6.177 -6.323 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.736 -5.684 -8.096 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.764 -4.376 -7.545 1.00 0.80 H new ATOM 0 HG2 PRO A 122 5.894 -5.925 -10.131 1.00 1.05 H new ATOM 0 HG3 PRO A 122 6.068 -4.200 -9.873 1.00 1.05 H new ATOM 0 HD2 PRO A 122 8.256 -5.835 -10.210 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.337 -4.388 -9.224 1.00 0.87 H new ATOM 1086 N ASP A 123 6.954 -8.768 -7.268 1.00 0.56 N ATOM 1087 CA ASP A 123 6.446 -10.171 -7.318 1.00 0.64 C ATOM 1088 C ASP A 123 5.817 -10.493 -5.963 1.00 0.58 C ATOM 1089 O ASP A 123 5.276 -11.558 -5.746 1.00 0.65 O ATOM 1090 CB ASP A 123 7.603 -11.137 -7.591 1.00 0.74 C ATOM 1091 CG ASP A 123 8.789 -10.789 -6.690 1.00 0.77 C ATOM 1092 OD1 ASP A 123 9.378 -9.742 -6.901 1.00 1.38 O ATOM 1093 OD2 ASP A 123 9.088 -11.575 -5.807 1.00 1.27 O ATOM 0 H ASP A 123 7.947 -8.670 -7.058 1.00 0.56 H new ATOM 0 HA ASP A 123 5.711 -10.277 -8.116 1.00 0.64 H new ATOM 0 HB2 ASP A 123 7.284 -12.163 -7.408 1.00 0.74 H new ATOM 0 HB3 ASP A 123 7.900 -11.078 -8.638 1.00 0.74 H new ATOM 1098 N TRP A 124 5.888 -9.558 -5.051 1.00 0.53 N ATOM 1099 CA TRP A 124 5.305 -9.760 -3.692 1.00 0.52 C ATOM 1100 C TRP A 124 3.973 -9.027 -3.615 1.00 0.51 C ATOM 1101 O TRP A 124 3.140 -9.293 -2.773 1.00 0.55 O ATOM 1102 CB TRP A 124 6.262 -9.171 -2.656 1.00 0.49 C ATOM 1103 CG TRP A 124 6.454 -7.717 -2.952 1.00 0.43 C ATOM 1104 CD1 TRP A 124 7.415 -7.205 -3.757 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.674 -6.582 -2.475 1.00 0.42 C ATOM 1106 NE1 TRP A 124 7.279 -5.828 -3.797 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.220 -5.397 -3.024 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.560 -6.467 -1.626 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.678 -4.143 -2.740 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.011 -5.207 -1.339 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.570 -4.048 -1.895 1.00 0.55 C ATOM 0 H TRP A 124 6.332 -8.651 -5.193 1.00 0.53 H new ATOM 0 HA TRP A 124 5.155 -10.822 -3.499 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.859 -9.302 -1.652 1.00 0.49 H new ATOM 0 HB3 TRP A 124 7.219 -9.692 -2.686 1.00 0.49 H new ATOM 0 HD1 TRP A 124 8.165 -7.778 -4.282 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.887 -5.208 -4.332 1.00 0.42 H new ATOM 0 HE3 TRP A 124 4.123 -7.354 -1.191 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.112 -3.253 -3.170 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 3.154 -5.130 -0.687 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.144 -3.081 -1.670 1.00 0.55 H new ATOM 1122 N GLN A 125 3.782 -8.109 -4.502 1.00 0.53 N ATOM 1123 CA GLN A 125 2.516 -7.326 -4.528 1.00 0.60 C ATOM 1124 C GLN A 125 1.410 -8.188 -5.153 1.00 0.66 C ATOM 1125 O GLN A 125 1.334 -8.343 -6.355 1.00 0.84 O ATOM 1126 CB GLN A 125 2.740 -6.036 -5.340 1.00 0.69 C ATOM 1127 CG GLN A 125 1.398 -5.464 -5.830 1.00 1.56 C ATOM 1128 CD GLN A 125 1.551 -3.972 -6.147 1.00 2.18 C ATOM 1129 OE1 GLN A 125 1.990 -3.203 -5.314 1.00 2.78 O ATOM 1130 NE2 GLN A 125 1.202 -3.527 -7.324 1.00 2.82 N ATOM 0 H GLN A 125 4.456 -7.858 -5.225 1.00 0.53 H new ATOM 0 HA GLN A 125 2.213 -7.050 -3.518 1.00 0.60 H new ATOM 0 HB2 GLN A 125 3.253 -5.297 -4.725 1.00 0.69 H new ATOM 0 HB3 GLN A 125 3.386 -6.244 -6.193 1.00 0.69 H new ATOM 0 HG2 GLN A 125 1.067 -6.001 -6.719 1.00 1.56 H new ATOM 0 HG3 GLN A 125 0.632 -5.606 -5.067 1.00 1.56 H new ATOM 0 HE21 GLN A 125 0.834 -4.171 -8.024 1.00 2.82 H new ATOM 0 HE22 GLN A 125 1.298 -2.535 -7.543 1.00 2.82 H new ATOM 1139 N ASN A 126 0.553 -8.747 -4.340 1.00 0.64 N ATOM 1140 CA ASN A 126 -0.552 -9.600 -4.875 1.00 0.72 C ATOM 1141 C ASN A 126 -1.767 -9.481 -3.950 1.00 0.69 C ATOM 1142 O ASN A 126 -2.220 -10.442 -3.362 1.00 1.22 O ATOM 1143 CB ASN A 126 -0.088 -11.056 -4.937 1.00 0.84 C ATOM 1144 CG ASN A 126 1.079 -11.175 -5.918 1.00 0.89 C ATOM 1145 OD1 ASN A 126 0.965 -10.791 -7.066 1.00 1.53 O ATOM 1146 ND2 ASN A 126 2.204 -11.696 -5.514 1.00 0.88 N ATOM 0 H ASN A 126 0.570 -8.650 -3.325 1.00 0.64 H new ATOM 0 HA ASN A 126 -0.823 -9.269 -5.878 1.00 0.72 H new ATOM 0 HB2 ASN A 126 0.219 -11.394 -3.947 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -0.910 -11.698 -5.253 1.00 0.84 H new ATOM 0 HD21 ASN A 126 2.988 -11.781 -6.161 1.00 0.88 H new ATOM 0 HD22 ASN A 126 2.300 -12.018 -4.551 1.00 0.88 H new ATOM 1153 N TYR A 127 -2.288 -8.297 -3.805 1.00 0.69 N ATOM 1154 CA TYR A 127 -3.468 -8.106 -2.917 1.00 0.61 C ATOM 1155 C TYR A 127 -4.720 -8.712 -3.559 1.00 0.63 C ATOM 1156 O TYR A 127 -4.722 -9.097 -4.711 1.00 0.75 O ATOM 1157 CB TYR A 127 -3.683 -6.603 -2.666 1.00 0.65 C ATOM 1158 CG TYR A 127 -2.348 -5.887 -2.679 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -1.290 -6.368 -1.900 1.00 0.98 C ATOM 1160 CD2 TYR A 127 -2.172 -4.741 -3.466 1.00 0.93 C ATOM 1161 CE1 TYR A 127 -0.057 -5.704 -1.906 1.00 1.19 C ATOM 1162 CE2 TYR A 127 -0.940 -4.077 -3.473 1.00 1.14 C ATOM 1163 CZ TYR A 127 0.117 -4.559 -2.692 1.00 1.23 C ATOM 1164 OH TYR A 127 1.332 -3.904 -2.698 1.00 1.48 O ATOM 0 H TYR A 127 -1.948 -7.451 -4.263 1.00 0.69 H new ATOM 0 HA TYR A 127 -3.285 -8.610 -1.968 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -4.337 -6.187 -3.432 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -4.178 -6.452 -1.707 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -1.424 -7.252 -1.294 1.00 0.98 H new ATOM 0 HD2 TYR A 127 -2.988 -4.370 -4.068 1.00 0.93 H new ATOM 0 HE1 TYR A 127 0.759 -6.075 -1.304 1.00 1.19 H new ATOM 0 HE2 TYR A 127 -0.805 -3.194 -4.080 1.00 1.14 H new ATOM 0 HH TYR A 127 1.566 -3.657 -3.617 1.00 1.48 H new ATOM 1174 N THR A 128 -5.791 -8.771 -2.815 1.00 0.62 N ATOM 1175 CA THR A 128 -7.067 -9.319 -3.358 1.00 0.68 C ATOM 1176 C THR A 128 -7.551 -8.376 -4.473 1.00 0.75 C ATOM 1177 O THR A 128 -7.056 -7.273 -4.606 1.00 0.97 O ATOM 1178 CB THR A 128 -8.095 -9.385 -2.200 1.00 0.86 C ATOM 1179 OG1 THR A 128 -7.579 -8.662 -1.091 1.00 1.22 O ATOM 1180 CG2 THR A 128 -8.339 -10.841 -1.771 1.00 0.90 C ATOM 0 H THR A 128 -5.837 -8.460 -1.845 1.00 0.62 H new ATOM 0 HA THR A 128 -6.937 -10.320 -3.770 1.00 0.68 H new ATOM 0 HB THR A 128 -9.037 -8.955 -2.539 1.00 0.86 H new ATOM 0 HG1 THR A 128 -7.343 -9.287 -0.374 1.00 1.22 H new ATOM 0 HG21 THR A 128 -9.064 -10.864 -0.957 1.00 0.90 H new ATOM 0 HG22 THR A 128 -8.725 -11.410 -2.617 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.401 -11.283 -1.434 1.00 0.90 H new ATOM 1249 N ARG A 134 -9.461 -5.081 0.432 1.00 0.51 N ATOM 1250 CA ARG A 134 -8.305 -5.736 -0.249 1.00 0.49 C ATOM 1251 C ARG A 134 -7.257 -6.179 0.784 1.00 0.40 C ATOM 1252 O ARG A 134 -6.426 -5.399 1.221 1.00 0.38 O ATOM 1253 CB ARG A 134 -7.677 -4.736 -1.247 1.00 0.58 C ATOM 1254 CG ARG A 134 -7.215 -5.457 -2.520 1.00 1.06 C ATOM 1255 CD ARG A 134 -6.425 -4.479 -3.391 1.00 1.37 C ATOM 1256 NE ARG A 134 -7.231 -3.244 -3.605 1.00 1.86 N ATOM 1257 CZ ARG A 134 -6.658 -2.162 -4.056 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -5.375 -2.157 -4.292 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -7.365 -1.085 -4.264 1.00 3.36 N ATOM 0 HA ARG A 134 -8.653 -6.620 -0.784 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -8.404 -3.965 -1.503 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -6.830 -4.233 -0.781 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -6.595 -6.316 -2.262 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -8.076 -5.839 -3.069 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -5.479 -4.230 -2.911 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -6.185 -4.940 -4.349 1.00 1.37 H new ATOM 0 HE ARG A 134 -8.230 -3.245 -3.399 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -4.822 -2.998 -4.124 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -4.925 -1.312 -4.645 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -8.367 -1.088 -4.074 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -6.915 -0.240 -4.617 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.289 -7.435 1.158 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.297 -7.970 2.137 1.00 0.39 C ATOM 1275 C TYR A 135 -5.093 -8.527 1.355 1.00 0.36 C ATOM 1276 O TYR A 135 -5.243 -8.973 0.235 1.00 0.39 O ATOM 1277 CB TYR A 135 -6.946 -9.096 2.949 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.000 -8.516 3.861 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.316 -8.380 3.407 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -7.659 -8.117 5.159 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.295 -7.845 4.252 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -8.638 -7.580 6.004 1.00 0.85 C ATOM 1283 CZ TYR A 135 -9.956 -7.445 5.550 1.00 0.92 C ATOM 1284 OH TYR A 135 -10.921 -6.918 6.383 1.00 1.17 O ATOM 0 H TYR A 135 -7.968 -8.118 0.822 1.00 0.41 H new ATOM 0 HA TYR A 135 -5.970 -7.181 2.814 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.394 -9.830 2.279 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.190 -9.618 3.535 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.576 -8.688 2.405 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -6.642 -8.223 5.508 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.312 -7.741 3.903 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -8.377 -7.270 7.005 1.00 0.85 H new ATOM 0 HH TYR A 135 -10.519 -6.693 7.248 1.00 1.17 H new ATOM 1294 N PRO A 136 -3.910 -8.512 1.927 1.00 0.37 N ATOM 1295 CA PRO A 136 -2.683 -9.036 1.244 1.00 0.38 C ATOM 1296 C PRO A 136 -2.630 -10.571 1.226 1.00 0.37 C ATOM 1297 O PRO A 136 -2.629 -11.207 2.261 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.540 -8.472 2.098 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.121 -8.354 3.471 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.599 -7.997 3.275 1.00 0.44 C ATOM 0 HA PRO A 136 -2.642 -8.740 0.196 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.674 -9.134 2.089 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.205 -7.504 1.724 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -2.015 -9.289 4.021 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.607 -7.585 4.047 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.227 -8.461 4.035 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -3.763 -6.921 3.340 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.571 -11.176 0.066 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.503 -12.664 0.026 1.00 0.43 C ATOM 1310 C LEU A 137 -1.205 -13.120 0.692 1.00 0.41 C ATOM 1311 O LEU A 137 -1.213 -13.949 1.580 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.539 -13.165 -1.426 1.00 0.51 C ATOM 1313 CG LEU A 137 -3.755 -12.581 -2.163 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -3.617 -12.835 -3.672 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -5.050 -13.247 -1.675 1.00 0.92 C ATOM 0 H LEU A 137 -2.567 -10.710 -0.841 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.361 -13.076 0.557 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.622 -12.878 -1.940 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.585 -14.254 -1.441 1.00 0.51 H new ATOM 0 HG LEU A 137 -3.796 -11.511 -1.961 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -4.481 -12.420 -4.191 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -2.709 -12.358 -4.040 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.564 -13.908 -3.857 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.901 -12.822 -2.207 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -5.002 -14.319 -1.866 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -5.168 -13.074 -0.605 1.00 0.92 H new ATOM 1327 N THR A 138 -0.083 -12.592 0.276 1.00 0.50 N ATOM 1328 CA THR A 138 1.201 -13.018 0.901 1.00 0.55 C ATOM 1329 C THR A 138 1.270 -12.540 2.341 1.00 0.47 C ATOM 1330 O THR A 138 0.419 -11.826 2.833 1.00 0.50 O ATOM 1331 CB THR A 138 2.401 -12.448 0.141 1.00 0.73 C ATOM 1332 OG1 THR A 138 3.498 -12.286 1.032 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.031 -11.096 -0.452 1.00 1.04 C ATOM 0 H THR A 138 -0.002 -11.892 -0.461 1.00 0.50 H new ATOM 0 HA THR A 138 1.237 -14.107 0.865 1.00 0.55 H new ATOM 0 HB THR A 138 2.680 -13.134 -0.658 1.00 0.73 H new ATOM 0 HG1 THR A 138 4.266 -11.922 0.543 1.00 0.98 H new ATOM 0 HG21 THR A 138 2.886 -10.690 -0.993 1.00 1.04 H new ATOM 0 HG22 THR A 138 1.192 -11.217 -1.137 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.750 -10.412 0.349 1.00 1.04 H new ATOM 1341 N PHE A 139 2.301 -12.953 3.004 1.00 0.51 N ATOM 1342 CA PHE A 139 2.517 -12.570 4.435 1.00 0.49 C ATOM 1343 C PHE A 139 3.611 -11.495 4.542 1.00 0.65 C ATOM 1344 O PHE A 139 4.403 -11.308 3.640 1.00 1.43 O ATOM 1345 CB PHE A 139 2.941 -13.821 5.217 1.00 0.52 C ATOM 1346 CG PHE A 139 2.721 -13.608 6.696 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.467 -13.871 7.265 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.771 -13.154 7.500 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.267 -13.675 8.637 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.570 -12.958 8.872 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.318 -13.219 9.441 1.00 0.66 C ATOM 0 H PHE A 139 3.026 -13.555 2.614 1.00 0.51 H new ATOM 0 HA PHE A 139 1.594 -12.163 4.848 1.00 0.49 H new ATOM 0 HB2 PHE A 139 2.368 -14.684 4.877 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.991 -14.040 5.026 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.656 -14.224 6.646 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.738 -12.954 7.063 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.301 -13.876 9.075 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.381 -12.605 9.491 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.163 -13.069 10.499 1.00 0.66 H new ATOM 1361 N GLY A 140 3.678 -10.809 5.656 1.00 0.46 N ATOM 1362 CA GLY A 140 4.737 -9.772 5.856 1.00 0.43 C ATOM 1363 C GLY A 140 4.192 -8.376 5.568 1.00 0.35 C ATOM 1364 O GLY A 140 4.448 -7.437 6.296 1.00 0.32 O ATOM 0 H GLY A 140 3.039 -10.924 6.442 1.00 0.46 H new ATOM 0 HA2 GLY A 140 5.108 -9.818 6.880 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.583 -9.979 5.201 1.00 0.43 H new ATOM 1368 N TRP A 141 3.456 -8.228 4.510 1.00 0.34 N ATOM 1369 CA TRP A 141 2.904 -6.882 4.163 1.00 0.29 C ATOM 1370 C TRP A 141 1.684 -6.594 5.039 1.00 0.32 C ATOM 1371 O TRP A 141 0.594 -7.071 4.791 1.00 0.40 O ATOM 1372 CB TRP A 141 2.543 -6.867 2.671 1.00 0.33 C ATOM 1373 CG TRP A 141 2.283 -5.472 2.164 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.192 -5.132 1.438 1.00 0.35 C ATOM 1375 CD2 TRP A 141 3.088 -4.244 2.283 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.259 -3.790 1.114 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.401 -3.199 1.611 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.324 -3.923 2.900 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.909 -1.902 1.551 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.833 -2.613 2.834 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.127 -1.607 2.163 1.00 0.33 C ATOM 0 H TRP A 141 3.208 -8.978 3.865 1.00 0.34 H new ATOM 0 HA TRP A 141 3.642 -6.102 4.349 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.355 -7.315 2.098 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.659 -7.483 2.506 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.395 -5.804 1.156 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.549 -3.297 0.573 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.878 -4.688 3.423 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.361 -1.129 1.033 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.777 -2.381 3.305 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.525 -0.604 2.119 1.00 0.33 H new ATOM 1392 N CYS A 142 1.878 -5.825 6.083 1.00 0.31 N ATOM 1393 CA CYS A 142 0.761 -5.504 7.012 1.00 0.40 C ATOM 1394 C CYS A 142 -0.043 -4.313 6.497 1.00 0.39 C ATOM 1395 O CYS A 142 -0.284 -3.359 7.209 1.00 0.48 O ATOM 1396 CB CYS A 142 1.339 -5.175 8.377 1.00 0.47 C ATOM 1397 SG CYS A 142 2.582 -6.416 8.817 1.00 1.45 S ATOM 0 H CYS A 142 2.774 -5.404 6.329 1.00 0.31 H new ATOM 0 HA CYS A 142 0.095 -6.364 7.081 1.00 0.40 H new ATOM 0 HB2 CYS A 142 1.789 -4.182 8.364 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.547 -5.156 9.125 1.00 0.47 H new ATOM 0 HG CYS A 142 3.312 -6.687 7.776 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.458 -4.370 5.267 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.259 -3.259 4.657 1.00 0.40 C ATOM 1405 C TYR A 143 -2.721 -3.716 4.479 1.00 0.43 C ATOM 1406 O TYR A 143 -2.991 -4.815 4.046 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.564 -2.868 3.315 1.00 0.55 C ATOM 1408 CG TYR A 143 -1.403 -3.200 2.084 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -1.764 -4.528 1.820 1.00 2.16 C ATOM 1410 CD2 TYR A 143 -1.805 -2.189 1.205 1.00 2.17 C ATOM 1411 CE1 TYR A 143 -2.529 -4.840 0.687 1.00 3.14 C ATOM 1412 CE2 TYR A 143 -2.569 -2.500 0.075 1.00 3.14 C ATOM 1413 CZ TYR A 143 -2.933 -3.824 -0.183 1.00 3.52 C ATOM 1414 OH TYR A 143 -3.689 -4.127 -1.297 1.00 4.57 O ATOM 0 H TYR A 143 -0.276 -5.153 4.639 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.294 -2.376 5.295 1.00 0.40 H new ATOM 0 HB2 TYR A 143 -0.349 -1.799 3.323 1.00 0.55 H new ATOM 0 HB3 TYR A 143 0.393 -3.385 3.245 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.452 -5.314 2.492 1.00 2.16 H new ATOM 0 HD2 TYR A 143 -1.525 -1.164 1.399 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -2.806 -5.865 0.487 1.00 3.14 H new ATOM 0 HE2 TYR A 143 -2.878 -1.715 -0.599 1.00 3.14 H new ATOM 0 HH TYR A 143 -3.096 -4.291 -2.060 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.672 -2.890 4.849 1.00 0.39 N ATOM 1425 CA LYS A 144 -5.113 -3.287 4.714 1.00 0.51 C ATOM 1426 C LYS A 144 -5.910 -2.156 4.060 1.00 0.43 C ATOM 1427 O LYS A 144 -6.319 -1.224 4.721 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.695 -3.576 6.101 1.00 0.70 C ATOM 1429 CG LYS A 144 -4.957 -4.757 6.731 1.00 1.21 C ATOM 1430 CD LYS A 144 -5.434 -4.944 8.173 1.00 1.24 C ATOM 1431 CE LYS A 144 -4.905 -6.272 8.715 1.00 1.57 C ATOM 1432 NZ LYS A 144 -5.577 -7.396 8.005 1.00 2.32 N ATOM 0 H LYS A 144 -3.514 -1.960 5.238 1.00 0.39 H new ATOM 0 HA LYS A 144 -5.178 -4.180 4.092 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -5.602 -2.695 6.736 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -6.759 -3.800 6.021 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -5.141 -5.664 6.155 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -3.882 -4.580 6.712 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -5.083 -4.120 8.794 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -6.523 -4.931 8.212 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -3.826 -6.331 8.574 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -5.091 -6.341 9.787 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -5.478 -8.268 8.563 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -6.586 -7.176 7.883 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -5.137 -7.530 7.072 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.167 -2.229 2.779 1.00 0.40 N ATOM 1447 CA LEU A 145 -6.975 -1.143 2.146 1.00 0.37 C ATOM 1448 C LEU A 145 -8.432 -1.362 2.545 1.00 0.38 C ATOM 1449 O LEU A 145 -8.912 -2.478 2.546 1.00 0.41 O ATOM 1450 CB LEU A 145 -6.861 -1.197 0.618 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.489 -0.682 0.151 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.298 -1.049 -1.326 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.398 0.849 0.312 1.00 0.52 C ATOM 0 H LEU A 145 -5.860 -2.976 2.155 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.611 -0.172 2.480 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.005 -2.221 0.275 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -7.652 -0.596 0.169 1.00 0.42 H new ATOM 0 HG LEU A 145 -4.711 -1.142 0.760 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.328 -0.688 -1.668 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.344 -2.132 -1.441 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.087 -0.588 -1.920 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -4.420 1.193 -0.024 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.175 1.325 -0.287 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -5.535 1.113 1.361 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.142 -0.319 2.889 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.569 -0.484 3.306 1.00 0.50 C ATOM 1467 C VAL A 146 -11.315 0.836 3.034 1.00 0.59 C ATOM 1468 O VAL A 146 -10.813 1.897 3.347 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.628 -0.764 4.821 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -12.069 -1.053 5.248 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.754 -1.969 5.189 1.00 0.56 C ATOM 0 H VAL A 146 -8.796 0.641 2.900 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.021 -1.307 2.753 1.00 0.50 H new ATOM 0 HB VAL A 146 -10.256 0.121 5.338 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -12.098 -1.249 6.320 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.696 -0.191 5.020 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.440 -1.925 4.709 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.812 -2.146 6.263 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.108 -2.851 4.656 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.720 -1.767 4.910 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.503 0.791 2.466 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.288 2.027 2.177 1.00 0.81 C ATOM 1483 C PRO A 147 -13.899 2.628 3.447 1.00 0.91 C ATOM 1484 O PRO A 147 -13.762 2.095 4.531 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.384 1.541 1.220 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.600 0.111 1.589 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.233 -0.421 2.033 1.00 0.75 C ATOM 0 HA PRO A 147 -12.669 2.820 1.757 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.298 2.123 1.336 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.074 1.639 0.180 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.333 0.021 2.391 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -14.983 -0.457 0.742 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.329 -1.141 2.846 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.717 -0.928 1.217 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.078 4.455 -1.002 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.756 3.515 0.126 1.00 0.52 C ATOM 1782 C LEU A 181 -8.650 4.091 1.018 1.00 0.47 C ATOM 1783 O LEU A 181 -7.714 4.705 0.549 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.282 2.179 -0.452 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.270 1.688 -1.513 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -9.797 0.335 -2.051 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.668 1.535 -0.895 1.00 0.87 C ATOM 0 HA LEU A 181 -10.654 3.374 0.727 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.291 2.294 -0.891 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.193 1.440 0.344 1.00 0.60 H new ATOM 0 HG LEU A 181 -10.318 2.412 -2.326 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -10.497 -0.020 -2.807 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -8.808 0.446 -2.495 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -9.749 -0.385 -1.234 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.366 1.185 -1.656 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.628 0.813 -0.080 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.003 2.498 -0.510 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.751 3.883 2.308 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.709 4.395 3.253 1.00 0.45 C ATOM 1801 C GLU A 182 -6.759 3.268 3.662 1.00 0.42 C ATOM 1802 O GLU A 182 -7.172 2.178 4.007 1.00 0.43 O ATOM 1803 CB GLU A 182 -8.395 4.968 4.497 1.00 0.49 C ATOM 1804 CG GLU A 182 -9.541 4.049 4.917 1.00 0.56 C ATOM 1805 CD GLU A 182 -10.082 4.500 6.273 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -9.289 4.634 7.190 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -11.281 4.701 6.373 1.00 1.62 O ATOM 0 H GLU A 182 -9.517 3.376 2.751 1.00 0.45 H new ATOM 0 HA GLU A 182 -7.131 5.175 2.757 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -7.675 5.064 5.310 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.775 5.968 4.288 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -10.334 4.074 4.170 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -9.192 3.018 4.977 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.478 3.543 3.642 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.476 2.517 4.044 1.00 0.38 C ATOM 1816 C TRP A 183 -4.538 2.302 5.555 1.00 0.37 C ATOM 1817 O TRP A 183 -4.073 3.118 6.326 1.00 0.43 O ATOM 1818 CB TRP A 183 -3.053 2.989 3.658 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.653 2.484 2.304 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.397 1.190 2.022 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.419 3.226 1.073 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.023 1.083 0.691 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.023 2.315 0.062 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.513 4.585 0.739 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.728 2.748 -1.235 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.218 5.023 -0.561 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -1.826 4.107 -1.546 1.00 0.41 C ATOM 0 H TRP A 183 -5.084 4.441 3.362 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.701 1.583 3.529 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -3.015 4.078 3.667 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.338 2.640 4.403 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.471 0.369 2.720 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.778 0.205 0.233 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.815 5.301 1.489 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.427 2.037 -1.990 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.294 6.073 -0.804 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.600 4.451 -2.545 1.00 0.41 H new ATOM 1838 N ARG A 184 -5.071 1.192 5.982 1.00 0.35 N ATOM 1839 CA ARG A 184 -5.118 0.907 7.441 1.00 0.35 C ATOM 1840 C ARG A 184 -3.855 0.117 7.788 1.00 0.31 C ATOM 1841 O ARG A 184 -3.816 -1.097 7.712 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.372 0.081 7.774 1.00 0.40 C ATOM 1843 CG ARG A 184 -7.585 1.007 7.960 1.00 0.98 C ATOM 1844 CD ARG A 184 -8.798 0.182 8.424 1.00 1.51 C ATOM 1845 NE ARG A 184 -10.070 0.839 7.976 1.00 1.57 N ATOM 1846 CZ ARG A 184 -10.309 2.100 8.220 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -9.522 2.784 9.005 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -11.373 2.667 7.720 1.00 2.61 N ATOM 0 H ARG A 184 -5.475 0.471 5.384 1.00 0.35 H new ATOM 0 HA ARG A 184 -5.163 1.831 8.017 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.569 -0.632 6.974 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.204 -0.497 8.682 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -7.356 1.780 8.694 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -7.815 1.515 7.023 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -8.738 -0.827 8.017 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -8.790 0.089 9.510 1.00 1.51 H new ATOM 0 HE ARG A 184 -10.764 0.289 7.470 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -8.713 2.334 9.433 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -9.716 3.768 9.190 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -12.015 2.126 7.141 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -11.563 3.651 7.909 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.819 0.819 8.146 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.525 0.164 8.495 1.00 0.31 C ATOM 1864 C PHE A 185 -1.687 -0.594 9.814 1.00 0.31 C ATOM 1865 O PHE A 185 -2.255 -0.087 10.760 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.476 1.273 8.646 1.00 0.40 C ATOM 1867 CG PHE A 185 0.792 0.751 9.284 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.846 0.530 10.668 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.926 0.519 8.496 1.00 0.62 C ATOM 1870 CE1 PHE A 185 2.030 0.070 11.257 1.00 0.75 C ATOM 1871 CE2 PHE A 185 3.108 0.065 9.089 1.00 0.74 C ATOM 1872 CZ PHE A 185 3.161 -0.161 10.466 1.00 0.71 C ATOM 0 H PHE A 185 -2.812 1.837 8.213 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.218 -0.543 7.724 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.246 1.694 7.667 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.884 2.082 9.253 1.00 0.40 H new ATOM 0 HD1 PHE A 185 -0.025 0.715 11.279 1.00 0.65 H new ATOM 0 HD2 PHE A 185 1.888 0.691 7.430 1.00 0.62 H new ATOM 0 HE1 PHE A 185 2.070 -0.107 12.322 1.00 0.75 H new ATOM 0 HE2 PHE A 185 3.983 -0.111 8.480 1.00 0.74 H new ATOM 0 HZ PHE A 185 4.075 -0.514 10.920 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.203 -1.805 9.893 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.349 -2.577 11.156 1.00 0.32 C ATOM 1884 C ASP A 186 -0.222 -3.611 11.256 1.00 0.30 C ATOM 1885 O ASP A 186 -0.448 -4.796 11.130 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.703 -3.281 11.122 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.132 -3.667 12.542 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -2.381 -3.392 13.463 1.00 1.23 O ATOM 1889 OD2 ASP A 186 -4.205 -4.231 12.683 1.00 1.16 O ATOM 0 H ASP A 186 -0.715 -2.289 9.140 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.292 -1.916 12.020 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.450 -2.627 10.673 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.643 -4.172 10.497 1.00 0.37 H new ATOM 1894 N SER A 187 0.987 -3.157 11.476 1.00 0.33 N ATOM 1895 CA SER A 187 2.148 -4.092 11.578 1.00 0.34 C ATOM 1896 C SER A 187 1.786 -5.308 12.437 1.00 0.35 C ATOM 1897 O SER A 187 2.496 -6.296 12.453 1.00 0.37 O ATOM 1898 CB SER A 187 3.332 -3.365 12.217 1.00 0.40 C ATOM 1899 OG SER A 187 2.878 -2.611 13.333 1.00 1.32 O ATOM 0 H SER A 187 1.220 -2.171 11.590 1.00 0.33 H new ATOM 0 HA SER A 187 2.411 -4.431 10.576 1.00 0.34 H new ATOM 0 HB2 SER A 187 4.087 -4.085 12.534 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.805 -2.707 11.488 1.00 0.40 H new ATOM 0 HG SER A 187 3.441 -2.807 14.111 1.00 1.32 H new ATOM 1905 N ARG A 188 0.696 -5.254 13.152 1.00 0.40 N ATOM 1906 CA ARG A 188 0.312 -6.415 14.000 1.00 0.46 C ATOM 1907 C ARG A 188 0.122 -7.635 13.100 1.00 0.42 C ATOM 1908 O ARG A 188 0.355 -8.758 13.500 1.00 0.43 O ATOM 1909 CB ARG A 188 -0.996 -6.101 14.735 1.00 0.58 C ATOM 1910 CG ARG A 188 -0.757 -4.969 15.747 1.00 1.40 C ATOM 1911 CD ARG A 188 -1.962 -4.834 16.702 1.00 1.75 C ATOM 1912 NE ARG A 188 -2.255 -3.384 16.950 1.00 2.37 N ATOM 1913 CZ ARG A 188 -1.302 -2.538 17.248 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -0.086 -2.955 17.468 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -1.580 -1.269 17.368 1.00 3.87 N ATOM 0 H ARG A 188 0.058 -4.459 13.185 1.00 0.40 H new ATOM 0 HA ARG A 188 1.091 -6.617 14.735 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.765 -5.808 14.021 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -1.360 -6.991 15.248 1.00 0.58 H new ATOM 0 HG2 ARG A 188 0.148 -5.171 16.320 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -0.597 -4.029 15.219 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -2.836 -5.322 16.271 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -1.748 -5.338 17.645 1.00 1.75 H new ATOM 0 HE ARG A 188 -3.217 -3.050 16.885 1.00 2.37 H new ATOM 0 HH11 ARG A 188 0.131 -3.950 17.409 1.00 3.19 H new ATOM 0 HH12 ARG A 188 0.648 -2.286 17.699 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -2.536 -0.941 17.230 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -0.841 -0.605 17.600 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.277 -7.422 11.877 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.455 -8.565 10.940 1.00 0.46 C ATOM 1931 C LEU A 189 0.904 -9.231 10.723 1.00 0.41 C ATOM 1932 O LEU A 189 1.006 -10.291 10.134 1.00 0.46 O ATOM 1933 CB LEU A 189 -1.005 -8.039 9.606 1.00 0.57 C ATOM 1934 CG LEU A 189 -1.311 -9.217 8.635 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -2.607 -8.935 7.860 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -0.154 -9.402 7.630 1.00 1.78 C ATOM 0 H LEU A 189 -0.488 -6.504 11.486 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.156 -9.292 11.351 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -1.913 -7.462 9.783 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -0.282 -7.363 9.150 1.00 0.57 H new ATOM 0 HG LEU A 189 -1.425 -10.127 9.225 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -2.814 -9.764 7.183 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -3.434 -8.825 8.562 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -2.494 -8.016 7.285 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -0.384 -10.229 6.959 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -0.027 -8.488 7.049 1.00 1.78 H new ATOM 0 HD23 LEU A 189 0.767 -9.619 8.171 1.00 1.78 H new ATOM 1948 N ALA A 190 1.953 -8.616 11.206 1.00 0.37 N ATOM 1949 CA ALA A 190 3.313 -9.197 11.038 1.00 0.42 C ATOM 1950 C ALA A 190 3.454 -10.419 11.945 1.00 0.44 C ATOM 1951 O ALA A 190 4.480 -11.071 11.970 1.00 0.53 O ATOM 1952 CB ALA A 190 4.364 -8.153 11.425 1.00 0.47 C ATOM 0 H ALA A 190 1.923 -7.731 11.712 1.00 0.37 H new ATOM 0 HA ALA A 190 3.459 -9.492 9.999 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.361 -8.577 11.302 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.261 -7.278 10.784 1.00 0.47 H new ATOM 0 HB3 ALA A 190 4.220 -7.860 12.465 1.00 0.47 H new ATOM 1958 N PHE A 191 2.425 -10.735 12.689 1.00 0.42 N ATOM 1959 CA PHE A 191 2.479 -11.924 13.600 1.00 0.51 C ATOM 1960 C PHE A 191 1.157 -12.685 13.510 1.00 0.56 C ATOM 1961 O PHE A 191 0.883 -13.571 14.294 1.00 0.96 O ATOM 1962 CB PHE A 191 2.698 -11.454 15.040 1.00 0.58 C ATOM 1963 CG PHE A 191 3.850 -10.479 15.081 1.00 1.14 C ATOM 1964 CD1 PHE A 191 5.167 -10.951 15.041 1.00 1.81 C ATOM 1965 CD2 PHE A 191 3.602 -9.103 15.157 1.00 1.98 C ATOM 1966 CE1 PHE A 191 6.236 -10.048 15.078 1.00 2.75 C ATOM 1967 CE2 PHE A 191 4.670 -8.200 15.193 1.00 2.87 C ATOM 1968 CZ PHE A 191 5.988 -8.672 15.154 1.00 3.15 C ATOM 0 H PHE A 191 1.545 -10.220 12.706 1.00 0.42 H new ATOM 0 HA PHE A 191 3.300 -12.576 13.303 1.00 0.51 H new ATOM 0 HB2 PHE A 191 1.793 -10.981 15.421 1.00 0.58 H new ATOM 0 HB3 PHE A 191 2.907 -12.308 15.685 1.00 0.58 H new ATOM 0 HD1 PHE A 191 5.359 -12.012 14.982 1.00 1.81 H new ATOM 0 HD2 PHE A 191 2.586 -8.739 15.188 1.00 1.98 H new ATOM 0 HE1 PHE A 191 7.252 -10.413 15.048 1.00 2.75 H new ATOM 0 HE2 PHE A 191 4.478 -7.139 15.251 1.00 2.87 H new ATOM 0 HZ PHE A 191 6.813 -7.975 15.183 1.00 3.15 H new ATOM 1978 N HIS A 192 0.333 -12.343 12.558 1.00 0.64 N ATOM 1979 CA HIS A 192 -0.976 -13.038 12.410 1.00 0.72 C ATOM 1980 C HIS A 192 -1.440 -12.918 10.958 1.00 0.67 C ATOM 1981 O HIS A 192 -0.872 -12.178 10.181 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.001 -12.384 13.336 1.00 1.01 C ATOM 1983 CG HIS A 192 -1.570 -12.569 14.764 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -1.376 -13.825 15.318 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -1.290 -11.671 15.764 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -0.994 -13.648 16.597 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -0.927 -12.355 16.920 1.00 3.35 N ATOM 0 H HIS A 192 0.511 -11.608 11.873 1.00 0.64 H new ATOM 0 HA HIS A 192 -0.873 -14.090 12.674 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.091 -11.322 13.106 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -2.984 -12.828 13.180 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -1.343 -10.597 15.668 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -0.769 -14.455 17.279 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -0.666 -11.954 17.821 1.00 3.35 H new ATOM 1995 N HIS A 193 -2.468 -13.641 10.585 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.978 -13.579 9.176 1.00 0.85 C ATOM 1997 C HIS A 193 -4.501 -13.407 9.196 1.00 0.74 C ATOM 1998 O HIS A 193 -5.240 -14.351 9.388 1.00 0.78 O ATOM 1999 CB HIS A 193 -2.611 -14.886 8.460 1.00 1.28 C ATOM 2000 CG HIS A 193 -2.676 -14.696 6.967 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -2.848 -13.450 6.384 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -2.583 -15.587 5.926 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -2.852 -13.624 5.050 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -2.693 -14.908 4.717 1.00 3.87 N ATOM 0 H HIS A 193 -2.980 -14.275 11.198 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.530 -12.735 8.651 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -1.608 -15.200 8.751 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -3.294 -15.680 8.763 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -2.445 -16.653 6.030 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -2.969 -12.823 4.335 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -2.659 -15.305 3.778 1.00 3.87 H new ATOM 2012 N MET A 194 -4.974 -12.203 9.003 1.00 0.73 N ATOM 2013 CA MET A 194 -6.447 -11.962 9.017 1.00 0.79 C ATOM 2014 C MET A 194 -7.094 -12.619 7.793 1.00 0.75 C ATOM 2015 O MET A 194 -8.125 -13.255 7.892 1.00 0.90 O ATOM 2016 CB MET A 194 -6.715 -10.451 8.984 1.00 0.91 C ATOM 2017 CG MET A 194 -6.482 -9.854 10.375 1.00 1.47 C ATOM 2018 SD MET A 194 -4.793 -10.216 10.916 1.00 2.35 S ATOM 2019 CE MET A 194 -5.112 -10.185 12.697 1.00 2.94 C ATOM 0 H MET A 194 -4.402 -11.375 8.836 1.00 0.73 H new ATOM 0 HA MET A 194 -6.873 -12.393 9.923 1.00 0.79 H new ATOM 0 HB2 MET A 194 -6.059 -9.972 8.258 1.00 0.91 H new ATOM 0 HB3 MET A 194 -7.739 -10.261 8.663 1.00 0.91 H new ATOM 0 HG2 MET A 194 -6.644 -8.776 10.351 1.00 1.47 H new ATOM 0 HG3 MET A 194 -7.199 -10.268 11.084 1.00 1.47 H new ATOM 0 HE1 MET A 194 -4.167 -10.246 13.237 1.00 2.94 H new ATOM 0 HE2 MET A 194 -5.621 -9.257 12.959 1.00 2.94 H new ATOM 0 HE3 MET A 194 -5.741 -11.033 12.969 1.00 2.94 H new ATOM 2029 N ALA A 195 -6.505 -12.464 6.640 1.00 0.66 N ATOM 2030 CA ALA A 195 -7.096 -13.071 5.416 1.00 0.76 C ATOM 2031 C ALA A 195 -7.417 -14.548 5.676 1.00 0.90 C ATOM 2032 O ALA A 195 -8.505 -15.016 5.399 1.00 1.11 O ATOM 2033 CB ALA A 195 -6.102 -12.959 4.257 1.00 0.82 C ATOM 0 H ALA A 195 -5.640 -11.943 6.493 1.00 0.66 H new ATOM 0 HA ALA A 195 -8.014 -12.542 5.159 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -6.536 -13.404 3.361 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -5.879 -11.909 4.069 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -5.182 -13.485 4.514 1.00 0.82 H new