USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 117 THR OG1 : rot -12:sc= -3.12! USER MOD Set 1.2: A 118 GLN : amide:sc= -12.9! C(o=-16!,f=-6.9!) USER MOD Set 2.1: A 102 HIS : no HE2:sc= -0.855 K(o=-1.1,f=-2.2!) USER MOD Set 2.2: A 107 GLN : amide:sc= -0.246 X(o=-1.1,f=-1.3) USER MOD Set 3.1: A 88 SER OG : rot -102:sc= -0.968! USER MOD Set 3.2: A 89 HIS : no HE2:sc= -3.36! C(o=-4.3!,f=-15!) USER MOD Set 3.3: A 187 SER OG : rot 170:sc= 0 USER MOD Set 4.1: A 81 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -155:sc= 0 (180deg=-0.453) USER MOD Single : A 80 THR OG1 : rot 180:sc= -5.48! USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -156:sc= -0.0624 (180deg=-0.464) USER MOD Single : A 103 SER OG : rot -170:sc= 0 USER MOD Single : A 104 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 HD1:sc= -1.65! C(o=-1.7!,f=-4.8!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -4.65! C(o=-4.7!,f=-14!) USER MOD Single : A 126 ASN : amide:sc= -6.79! C(o=-6.8!,f=-3.9!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -111:sc= 0.842 USER MOD Single : A 142 CYS SG : rot 24:sc= -0.477 USER MOD Single : A 143 TYR OH : rot 180:sc= -0.35 USER MOD Single : A 144 LYS NZ :NH3+ 178:sc= -1.77 (180deg=-1.83) USER MOD Single : A 192 HIS : no HD1:sc= -5.24! C(o=-5.2!,f=-7.2!) USER MOD Single : A 193 HIS : no HD1:sc= -3.79! K(o=-3.8!,f=-1.5) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 19.783 0.121 -9.458 1.00 1.04 N ATOM 275 CA VAL A 74 20.266 -0.536 -8.202 1.00 0.93 C ATOM 276 C VAL A 74 20.244 -2.059 -8.400 1.00 0.86 C ATOM 277 O VAL A 74 19.473 -2.567 -9.189 1.00 0.89 O ATOM 278 CB VAL A 74 19.328 -0.140 -7.053 1.00 1.09 C ATOM 279 CG1 VAL A 74 19.718 1.244 -6.519 1.00 1.17 C ATOM 280 CG2 VAL A 74 17.886 -0.090 -7.577 1.00 1.38 C ATOM 0 HA VAL A 74 21.282 -0.220 -7.967 1.00 0.93 H new ATOM 0 HB VAL A 74 19.408 -0.873 -6.250 1.00 1.09 H new ATOM 0 HG11 VAL A 74 19.050 1.521 -5.704 1.00 1.17 H new ATOM 0 HG12 VAL A 74 20.745 1.217 -6.153 1.00 1.17 H new ATOM 0 HG13 VAL A 74 19.637 1.979 -7.320 1.00 1.17 H new ATOM 0 HG21 VAL A 74 17.214 0.191 -6.766 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.815 0.646 -8.378 1.00 1.38 H new ATOM 0 HG23 VAL A 74 17.604 -1.071 -7.959 1.00 1.38 H new ATOM 290 N PRO A 75 21.062 -2.791 -7.683 1.00 0.93 N ATOM 291 CA PRO A 75 21.092 -4.280 -7.793 1.00 1.00 C ATOM 292 C PRO A 75 19.737 -4.886 -7.406 1.00 0.88 C ATOM 293 O PRO A 75 19.247 -4.685 -6.313 1.00 0.84 O ATOM 294 CB PRO A 75 22.202 -4.708 -6.811 1.00 1.18 C ATOM 295 CG PRO A 75 22.370 -3.547 -5.880 1.00 1.37 C ATOM 296 CD PRO A 75 22.040 -2.300 -6.697 1.00 1.13 C ATOM 0 HA PRO A 75 21.286 -4.623 -8.809 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.921 -5.611 -6.268 1.00 1.18 H new ATOM 0 HB3 PRO A 75 23.131 -4.928 -7.338 1.00 1.18 H new ATOM 0 HG2 PRO A 75 21.706 -3.637 -5.020 1.00 1.37 H new ATOM 0 HG3 PRO A 75 23.388 -3.502 -5.493 1.00 1.37 H new ATOM 0 HD2 PRO A 75 21.621 -1.510 -6.074 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.927 -1.889 -7.180 1.00 1.13 H new ATOM 304 N LEU A 76 19.121 -5.615 -8.296 1.00 0.86 N ATOM 305 CA LEU A 76 17.793 -6.215 -7.975 1.00 0.77 C ATOM 306 C LEU A 76 17.931 -7.172 -6.790 1.00 0.77 C ATOM 307 O LEU A 76 18.311 -8.316 -6.942 1.00 0.85 O ATOM 308 CB LEU A 76 17.265 -6.986 -9.190 1.00 0.84 C ATOM 309 CG LEU A 76 16.982 -6.022 -10.353 1.00 0.87 C ATOM 310 CD1 LEU A 76 16.705 -6.835 -11.623 1.00 1.01 C ATOM 311 CD2 LEU A 76 15.761 -5.136 -10.035 1.00 0.76 C ATOM 0 H LEU A 76 19.478 -5.821 -9.229 1.00 0.86 H new ATOM 0 HA LEU A 76 17.095 -5.418 -7.719 1.00 0.77 H new ATOM 0 HB2 LEU A 76 17.994 -7.735 -9.499 1.00 0.84 H new ATOM 0 HB3 LEU A 76 16.354 -7.520 -8.922 1.00 0.84 H new ATOM 0 HG LEU A 76 17.850 -5.380 -10.501 1.00 0.87 H new ATOM 0 HD11 LEU A 76 16.503 -6.157 -12.452 1.00 1.01 H new ATOM 0 HD12 LEU A 76 17.574 -7.449 -11.859 1.00 1.01 H new ATOM 0 HD13 LEU A 76 15.840 -7.478 -11.462 1.00 1.01 H new ATOM 0 HD21 LEU A 76 15.575 -4.460 -10.869 1.00 0.76 H new ATOM 0 HD22 LEU A 76 14.886 -5.766 -9.877 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.958 -4.555 -9.134 1.00 0.76 H new ATOM 323 N ARG A 77 17.612 -6.713 -5.609 1.00 0.74 N ATOM 324 CA ARG A 77 17.710 -7.594 -4.410 1.00 0.79 C ATOM 325 C ARG A 77 16.441 -8.457 -4.327 1.00 0.71 C ATOM 326 O ARG A 77 15.402 -8.080 -4.833 1.00 0.73 O ATOM 327 CB ARG A 77 17.832 -6.719 -3.147 1.00 0.85 C ATOM 328 CG ARG A 77 19.309 -6.398 -2.867 1.00 1.19 C ATOM 329 CD ARG A 77 19.439 -5.558 -1.577 1.00 1.52 C ATOM 330 NE ARG A 77 20.441 -4.464 -1.783 1.00 2.13 N ATOM 331 CZ ARG A 77 21.608 -4.705 -2.320 1.00 2.66 C ATOM 332 NH1 ARG A 77 21.982 -5.930 -2.571 1.00 2.73 N ATOM 333 NH2 ARG A 77 22.423 -3.717 -2.572 1.00 3.61 N ATOM 0 H ARG A 77 17.287 -5.764 -5.423 1.00 0.74 H new ATOM 0 HA ARG A 77 18.586 -8.238 -4.485 1.00 0.79 H new ATOM 0 HB2 ARG A 77 17.270 -5.795 -3.280 1.00 0.85 H new ATOM 0 HB3 ARG A 77 17.396 -7.237 -2.293 1.00 0.85 H new ATOM 0 HG2 ARG A 77 19.877 -7.323 -2.766 1.00 1.19 H new ATOM 0 HG3 ARG A 77 19.736 -5.853 -3.709 1.00 1.19 H new ATOM 0 HD2 ARG A 77 18.472 -5.132 -1.310 1.00 1.52 H new ATOM 0 HD3 ARG A 77 19.747 -6.194 -0.747 1.00 1.52 H new ATOM 0 HE ARG A 77 20.208 -3.512 -1.499 1.00 2.13 H new ATOM 0 HH11 ARG A 77 21.362 -6.708 -2.348 1.00 2.73 H new ATOM 0 HH12 ARG A 77 22.894 -6.109 -2.990 1.00 2.73 H new ATOM 0 HH21 ARG A 77 22.148 -2.760 -2.350 1.00 3.61 H new ATOM 0 HH22 ARG A 77 23.334 -3.902 -2.991 1.00 3.61 H new ATOM 347 N PRO A 78 16.513 -9.599 -3.686 1.00 0.79 N ATOM 348 CA PRO A 78 15.335 -10.506 -3.537 1.00 0.76 C ATOM 349 C PRO A 78 14.321 -9.954 -2.525 1.00 0.67 C ATOM 350 O PRO A 78 14.655 -9.662 -1.394 1.00 0.69 O ATOM 351 CB PRO A 78 15.956 -11.815 -3.032 1.00 0.86 C ATOM 352 CG PRO A 78 17.188 -11.392 -2.299 1.00 1.18 C ATOM 353 CD PRO A 78 17.715 -10.158 -3.038 1.00 1.06 C ATOM 0 HA PRO A 78 14.778 -10.625 -4.466 1.00 0.76 H new ATOM 0 HB2 PRO A 78 15.270 -12.352 -2.377 1.00 0.86 H new ATOM 0 HB3 PRO A 78 16.197 -12.484 -3.858 1.00 0.86 H new ATOM 0 HG2 PRO A 78 16.962 -11.157 -1.259 1.00 1.18 H new ATOM 0 HG3 PRO A 78 17.931 -12.189 -2.292 1.00 1.18 H new ATOM 0 HD2 PRO A 78 18.169 -9.443 -2.351 1.00 1.06 H new ATOM 0 HD3 PRO A 78 18.477 -10.425 -3.770 1.00 1.06 H new ATOM 361 N MET A 79 13.086 -9.807 -2.923 1.00 0.65 N ATOM 362 CA MET A 79 12.061 -9.272 -1.983 1.00 0.61 C ATOM 363 C MET A 79 11.882 -10.257 -0.824 1.00 0.51 C ATOM 364 O MET A 79 11.299 -11.312 -0.973 1.00 0.56 O ATOM 365 CB MET A 79 10.731 -9.084 -2.731 1.00 0.66 C ATOM 366 CG MET A 79 9.574 -8.903 -1.738 1.00 0.74 C ATOM 367 SD MET A 79 10.060 -7.744 -0.432 1.00 1.25 S ATOM 368 CE MET A 79 9.407 -6.240 -1.199 1.00 0.83 C ATOM 0 H MET A 79 12.744 -10.034 -3.857 1.00 0.65 H new ATOM 0 HA MET A 79 12.383 -8.308 -1.588 1.00 0.61 H new ATOM 0 HB2 MET A 79 10.795 -8.215 -3.385 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.540 -9.948 -3.367 1.00 0.66 H new ATOM 0 HG2 MET A 79 8.692 -8.530 -2.258 1.00 0.74 H new ATOM 0 HG3 MET A 79 9.304 -9.864 -1.301 1.00 0.74 H new ATOM 0 HE1 MET A 79 9.952 -5.374 -0.824 1.00 0.83 H new ATOM 0 HE2 MET A 79 9.525 -6.302 -2.281 1.00 0.83 H new ATOM 0 HE3 MET A 79 8.350 -6.137 -0.955 1.00 0.83 H new ATOM 378 N THR A 80 12.389 -9.917 0.331 1.00 0.56 N ATOM 379 CA THR A 80 12.263 -10.826 1.507 1.00 0.60 C ATOM 380 C THR A 80 10.968 -10.547 2.253 1.00 0.56 C ATOM 381 O THR A 80 10.663 -9.426 2.592 1.00 0.50 O ATOM 382 CB THR A 80 13.461 -10.617 2.440 1.00 0.77 C ATOM 383 OG1 THR A 80 13.265 -9.446 3.211 1.00 0.94 O ATOM 384 CG2 THR A 80 14.737 -10.472 1.608 1.00 0.73 C ATOM 0 H THR A 80 12.887 -9.045 0.511 1.00 0.56 H new ATOM 0 HA THR A 80 12.247 -11.860 1.161 1.00 0.60 H new ATOM 0 HB THR A 80 13.555 -11.476 3.105 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.031 -9.315 3.808 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.589 -10.323 2.271 1.00 0.73 H new ATOM 0 HG22 THR A 80 14.891 -11.375 1.017 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.642 -9.614 0.942 1.00 0.73 H new ATOM 392 N TYR A 81 10.201 -11.571 2.541 1.00 0.61 N ATOM 393 CA TYR A 81 8.941 -11.352 3.305 1.00 0.60 C ATOM 394 C TYR A 81 9.334 -10.524 4.526 1.00 0.51 C ATOM 395 O TYR A 81 8.678 -9.577 4.912 1.00 0.45 O ATOM 396 CB TYR A 81 8.343 -12.731 3.696 1.00 0.69 C ATOM 397 CG TYR A 81 8.364 -12.956 5.199 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.475 -12.256 6.024 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.275 -13.862 5.761 1.00 0.71 C ATOM 400 CE1 TYR A 81 7.495 -12.462 7.408 1.00 0.66 C ATOM 401 CE2 TYR A 81 9.293 -14.068 7.145 1.00 0.77 C ATOM 402 CZ TYR A 81 8.404 -13.367 7.969 1.00 0.73 C ATOM 403 OH TYR A 81 8.422 -13.569 9.334 1.00 0.90 O ATOM 0 H TYR A 81 10.393 -12.538 2.281 1.00 0.61 H new ATOM 0 HA TYR A 81 8.177 -10.828 2.732 1.00 0.60 H new ATOM 0 HB2 TYR A 81 7.317 -12.797 3.334 1.00 0.69 H new ATOM 0 HB3 TYR A 81 8.906 -13.523 3.203 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.774 -11.557 5.592 1.00 0.59 H new ATOM 0 HD2 TYR A 81 9.963 -14.401 5.126 1.00 0.71 H new ATOM 0 HE1 TYR A 81 6.809 -11.922 8.044 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.993 -14.768 7.578 1.00 0.77 H new ATOM 0 HH TYR A 81 9.111 -14.229 9.558 1.00 0.90 H new ATOM 413 N LYS A 82 10.448 -10.872 5.095 1.00 0.52 N ATOM 414 CA LYS A 82 10.964 -10.113 6.252 1.00 0.48 C ATOM 415 C LYS A 82 11.204 -8.665 5.817 1.00 0.40 C ATOM 416 O LYS A 82 11.040 -7.746 6.595 1.00 0.38 O ATOM 417 CB LYS A 82 12.281 -10.736 6.731 1.00 0.55 C ATOM 418 CG LYS A 82 12.650 -10.189 8.125 1.00 0.60 C ATOM 419 CD LYS A 82 11.956 -11.013 9.229 1.00 0.92 C ATOM 420 CE LYS A 82 12.809 -12.235 9.591 1.00 1.49 C ATOM 421 NZ LYS A 82 12.094 -13.055 10.609 1.00 2.32 N ATOM 0 H LYS A 82 11.027 -11.659 4.802 1.00 0.52 H new ATOM 0 HA LYS A 82 10.243 -10.141 7.069 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.186 -11.821 6.771 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.078 -10.512 6.021 1.00 0.55 H new ATOM 0 HG2 LYS A 82 13.731 -10.224 8.262 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.353 -9.143 8.202 1.00 0.60 H new ATOM 0 HD2 LYS A 82 11.801 -10.394 10.112 1.00 0.92 H new ATOM 0 HD3 LYS A 82 10.972 -11.335 8.889 1.00 0.92 H new ATOM 0 HE2 LYS A 82 13.005 -12.832 8.700 1.00 1.49 H new ATOM 0 HE3 LYS A 82 13.776 -11.915 9.980 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 12.672 -13.884 10.855 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 11.928 -12.483 11.462 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 11.182 -13.371 10.222 1.00 2.32 H new ATOM 435 N ALA A 83 11.600 -8.437 4.579 1.00 0.42 N ATOM 436 CA ALA A 83 11.840 -7.018 4.157 1.00 0.41 C ATOM 437 C ALA A 83 10.511 -6.255 4.142 1.00 0.35 C ATOM 438 O ALA A 83 10.467 -5.070 4.410 1.00 0.34 O ATOM 439 CB ALA A 83 12.496 -6.959 2.768 1.00 0.52 C ATOM 0 H ALA A 83 11.762 -9.148 3.866 1.00 0.42 H new ATOM 0 HA ALA A 83 12.519 -6.554 4.872 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.659 -5.919 2.486 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.452 -7.482 2.795 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.843 -7.435 2.037 1.00 0.52 H new ATOM 445 N ALA A 84 9.424 -6.918 3.844 1.00 0.34 N ATOM 446 CA ALA A 84 8.107 -6.215 3.830 1.00 0.31 C ATOM 447 C ALA A 84 7.820 -5.673 5.230 1.00 0.28 C ATOM 448 O ALA A 84 7.379 -4.552 5.394 1.00 0.28 O ATOM 449 CB ALA A 84 7.002 -7.193 3.425 1.00 0.34 C ATOM 0 H ALA A 84 9.391 -7.910 3.611 1.00 0.34 H new ATOM 0 HA ALA A 84 8.137 -5.395 3.113 1.00 0.31 H new ATOM 0 HB1 ALA A 84 6.043 -6.675 3.416 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.211 -7.586 2.430 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.964 -8.015 4.140 1.00 0.34 H new ATOM 455 N VAL A 85 8.071 -6.456 6.244 1.00 0.29 N ATOM 456 CA VAL A 85 7.815 -5.974 7.631 1.00 0.29 C ATOM 457 C VAL A 85 8.740 -4.795 7.920 1.00 0.29 C ATOM 458 O VAL A 85 8.313 -3.756 8.382 1.00 0.30 O ATOM 459 CB VAL A 85 8.088 -7.109 8.631 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.348 -6.837 9.946 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.603 -8.431 8.037 1.00 0.38 C ATOM 0 H VAL A 85 8.440 -7.404 6.173 1.00 0.29 H new ATOM 0 HA VAL A 85 6.776 -5.659 7.730 1.00 0.29 H new ATOM 0 HB VAL A 85 9.158 -7.165 8.830 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.547 -7.646 10.649 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.694 -5.894 10.370 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.277 -6.777 9.755 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.795 -9.239 8.743 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.533 -8.370 7.837 1.00 0.38 H new ATOM 0 HG23 VAL A 85 8.135 -8.629 7.106 1.00 0.38 H new ATOM 471 N ASP A 86 10.003 -4.943 7.635 1.00 0.30 N ATOM 472 CA ASP A 86 10.945 -3.822 7.877 1.00 0.32 C ATOM 473 C ASP A 86 10.492 -2.639 7.027 1.00 0.30 C ATOM 474 O ASP A 86 10.423 -1.517 7.487 1.00 0.31 O ATOM 475 CB ASP A 86 12.358 -4.244 7.468 1.00 0.36 C ATOM 476 CG ASP A 86 12.885 -5.290 8.454 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.496 -6.440 8.330 1.00 1.05 O ATOM 478 OD2 ASP A 86 13.667 -4.923 9.315 1.00 1.23 O ATOM 0 H ASP A 86 10.420 -5.789 7.247 1.00 0.30 H new ATOM 0 HA ASP A 86 10.954 -3.549 8.932 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.348 -4.653 6.458 1.00 0.36 H new ATOM 0 HB3 ASP A 86 13.018 -3.377 7.454 1.00 0.36 H new ATOM 483 N LEU A 87 10.164 -2.891 5.789 1.00 0.29 N ATOM 484 CA LEU A 87 9.693 -1.793 4.905 1.00 0.30 C ATOM 485 C LEU A 87 8.389 -1.219 5.466 1.00 0.29 C ATOM 486 O LEU A 87 8.174 -0.024 5.456 1.00 0.30 O ATOM 487 CB LEU A 87 9.461 -2.336 3.486 1.00 0.33 C ATOM 488 CG LEU A 87 9.455 -1.176 2.468 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.891 -0.785 2.087 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.706 -1.606 1.202 1.00 0.44 C ATOM 0 H LEU A 87 10.203 -3.812 5.353 1.00 0.29 H new ATOM 0 HA LEU A 87 10.446 -1.006 4.863 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.243 -3.051 3.230 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.513 -2.872 3.444 1.00 0.33 H new ATOM 0 HG LEU A 87 8.959 -0.319 2.925 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.867 0.034 1.368 1.00 0.52 H new ATOM 0 HD12 LEU A 87 11.431 -0.469 2.980 1.00 0.52 H new ATOM 0 HD13 LEU A 87 11.396 -1.643 1.642 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.703 -0.785 0.485 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.202 -2.471 0.762 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.679 -1.868 1.458 1.00 0.44 H new ATOM 502 N SER A 88 7.509 -2.060 5.955 1.00 0.30 N ATOM 503 CA SER A 88 6.226 -1.544 6.507 1.00 0.34 C ATOM 504 C SER A 88 6.509 -0.397 7.480 1.00 0.33 C ATOM 505 O SER A 88 6.009 0.700 7.324 1.00 0.36 O ATOM 506 CB SER A 88 5.501 -2.670 7.245 1.00 0.40 C ATOM 507 OG SER A 88 6.094 -2.851 8.524 1.00 0.44 O ATOM 0 H SER A 88 7.626 -3.073 5.994 1.00 0.30 H new ATOM 0 HA SER A 88 5.601 -1.180 5.691 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.444 -2.428 7.353 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.560 -3.594 6.670 1.00 0.40 H new ATOM 0 HG SER A 88 6.683 -3.634 8.504 1.00 0.44 H new ATOM 513 N HIS A 89 7.302 -0.639 8.487 1.00 0.34 N ATOM 514 CA HIS A 89 7.603 0.440 9.469 1.00 0.36 C ATOM 515 C HIS A 89 8.506 1.492 8.827 1.00 0.36 C ATOM 516 O HIS A 89 8.499 2.642 9.214 1.00 0.41 O ATOM 517 CB HIS A 89 8.309 -0.157 10.688 1.00 0.41 C ATOM 518 CG HIS A 89 7.421 -1.185 11.332 1.00 0.52 C ATOM 519 ND1 HIS A 89 7.158 -2.410 10.739 1.00 1.43 N ATOM 520 CD2 HIS A 89 6.729 -1.185 12.518 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.340 -3.091 11.562 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.047 -2.389 12.662 1.00 0.82 N ATOM 0 H HIS A 89 7.753 -1.535 8.672 1.00 0.34 H new ATOM 0 HA HIS A 89 6.669 0.908 9.779 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.252 -0.614 10.387 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.549 0.630 11.403 1.00 0.41 H new ATOM 0 HD1 HIS A 89 7.519 -2.736 9.842 1.00 1.43 H new ATOM 0 HD2 HIS A 89 6.716 -0.374 13.231 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.966 -4.084 11.359 1.00 1.27 H new ATOM 530 N PHE A 90 9.282 1.122 7.849 1.00 0.34 N ATOM 531 CA PHE A 90 10.163 2.131 7.204 1.00 0.37 C ATOM 532 C PHE A 90 9.288 3.259 6.658 1.00 0.40 C ATOM 533 O PHE A 90 9.428 4.406 7.030 1.00 0.47 O ATOM 534 CB PHE A 90 10.940 1.484 6.056 1.00 0.38 C ATOM 535 CG PHE A 90 12.034 2.420 5.602 1.00 0.47 C ATOM 536 CD1 PHE A 90 11.768 3.380 4.618 1.00 0.59 C ATOM 537 CD2 PHE A 90 13.313 2.330 6.164 1.00 0.57 C ATOM 538 CE1 PHE A 90 12.782 4.250 4.196 1.00 0.70 C ATOM 539 CE2 PHE A 90 14.326 3.200 5.744 1.00 0.69 C ATOM 540 CZ PHE A 90 14.060 4.160 4.759 1.00 0.72 C ATOM 0 H PHE A 90 9.344 0.176 7.472 1.00 0.34 H new ATOM 0 HA PHE A 90 10.873 2.524 7.932 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.369 0.536 6.381 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.268 1.262 5.227 1.00 0.38 H new ATOM 0 HD1 PHE A 90 10.781 3.450 4.184 1.00 0.59 H new ATOM 0 HD2 PHE A 90 13.518 1.589 6.922 1.00 0.57 H new ATOM 0 HE1 PHE A 90 12.577 4.990 3.436 1.00 0.70 H new ATOM 0 HE2 PHE A 90 15.312 3.131 6.179 1.00 0.69 H new ATOM 0 HZ PHE A 90 14.842 4.831 4.434 1.00 0.72 H new ATOM 550 N LEU A 91 8.381 2.936 5.779 1.00 0.37 N ATOM 551 CA LEU A 91 7.488 3.977 5.200 1.00 0.42 C ATOM 552 C LEU A 91 6.663 4.644 6.309 1.00 0.47 C ATOM 553 O LEU A 91 6.190 5.753 6.152 1.00 0.57 O ATOM 554 CB LEU A 91 6.542 3.321 4.183 1.00 0.41 C ATOM 555 CG LEU A 91 7.301 3.011 2.875 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.610 1.862 2.136 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.316 4.247 1.963 1.00 0.54 C ATOM 0 H LEU A 91 8.219 1.989 5.435 1.00 0.37 H new ATOM 0 HA LEU A 91 8.095 4.736 4.707 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.129 2.402 4.599 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.702 3.984 3.977 1.00 0.41 H new ATOM 0 HG LEU A 91 8.324 2.732 3.126 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.149 1.646 1.213 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.604 0.974 2.768 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.585 2.146 1.899 1.00 0.42 H new ATOM 0 HD21 LEU A 91 7.854 4.015 1.044 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.292 4.533 1.721 1.00 0.54 H new ATOM 0 HD23 LEU A 91 7.812 5.071 2.476 1.00 0.54 H new ATOM 569 N LYS A 92 6.467 3.983 7.421 1.00 0.45 N ATOM 570 CA LYS A 92 5.656 4.606 8.508 1.00 0.53 C ATOM 571 C LYS A 92 6.342 5.881 9.006 1.00 0.63 C ATOM 572 O LYS A 92 5.773 6.953 8.974 1.00 0.85 O ATOM 573 CB LYS A 92 5.499 3.620 9.668 1.00 0.54 C ATOM 574 CG LYS A 92 4.612 4.247 10.747 1.00 0.73 C ATOM 575 CD LYS A 92 4.265 3.195 11.802 1.00 1.20 C ATOM 576 CE LYS A 92 3.431 3.840 12.909 1.00 1.61 C ATOM 577 NZ LYS A 92 3.049 2.806 13.912 1.00 2.27 N ATOM 0 H LYS A 92 6.829 3.051 7.622 1.00 0.45 H new ATOM 0 HA LYS A 92 4.671 4.860 8.115 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.056 2.690 9.312 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.475 3.370 10.083 1.00 0.54 H new ATOM 0 HG2 LYS A 92 5.127 5.087 11.213 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.700 4.641 10.298 1.00 0.73 H new ATOM 0 HD2 LYS A 92 3.711 2.375 11.345 1.00 1.20 H new ATOM 0 HD3 LYS A 92 5.177 2.769 12.220 1.00 1.20 H new ATOM 0 HE2 LYS A 92 4.000 4.636 13.390 1.00 1.61 H new ATOM 0 HE3 LYS A 92 2.537 4.298 12.485 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 2.482 3.245 14.665 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 2.491 2.061 13.448 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 3.908 2.389 14.325 1.00 2.27 H new ATOM 591 N GLU A 93 7.557 5.780 9.474 1.00 0.62 N ATOM 592 CA GLU A 93 8.261 6.997 9.975 1.00 0.76 C ATOM 593 C GLU A 93 8.625 7.912 8.801 1.00 0.77 C ATOM 594 O GLU A 93 8.635 9.121 8.924 1.00 1.05 O ATOM 595 CB GLU A 93 9.536 6.584 10.717 1.00 0.94 C ATOM 596 CG GLU A 93 10.494 5.891 9.746 1.00 1.22 C ATOM 597 CD GLU A 93 11.653 5.273 10.529 1.00 2.00 C ATOM 598 OE1 GLU A 93 12.278 5.992 11.291 1.00 2.54 O ATOM 599 OE2 GLU A 93 11.898 4.091 10.353 1.00 2.73 O ATOM 0 H GLU A 93 8.091 4.913 9.531 1.00 0.62 H new ATOM 0 HA GLU A 93 7.601 7.535 10.656 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.015 7.461 11.153 1.00 0.94 H new ATOM 0 HB3 GLU A 93 9.289 5.914 11.540 1.00 0.94 H new ATOM 0 HG2 GLU A 93 9.966 5.119 9.186 1.00 1.22 H new ATOM 0 HG3 GLU A 93 10.874 6.608 9.019 1.00 1.22 H new ATOM 606 N LYS A 94 8.931 7.347 7.664 1.00 0.80 N ATOM 607 CA LYS A 94 9.299 8.182 6.483 1.00 1.02 C ATOM 608 C LYS A 94 8.019 8.767 5.866 1.00 0.96 C ATOM 609 O LYS A 94 7.928 8.970 4.671 1.00 1.41 O ATOM 610 CB LYS A 94 10.063 7.303 5.455 1.00 1.39 C ATOM 611 CG LYS A 94 11.490 7.835 5.232 1.00 1.63 C ATOM 612 CD LYS A 94 11.440 9.111 4.382 1.00 2.18 C ATOM 613 CE LYS A 94 12.757 9.879 4.527 1.00 2.61 C ATOM 614 NZ LYS A 94 12.829 10.486 5.887 1.00 2.96 N ATOM 0 H LYS A 94 8.942 6.340 7.501 1.00 0.80 H new ATOM 0 HA LYS A 94 9.948 9.004 6.783 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.106 6.274 5.811 1.00 1.39 H new ATOM 0 HB3 LYS A 94 9.523 7.291 4.508 1.00 1.39 H new ATOM 0 HG2 LYS A 94 11.964 8.044 6.191 1.00 1.63 H new ATOM 0 HG3 LYS A 94 12.097 7.079 4.734 1.00 1.63 H new ATOM 0 HD2 LYS A 94 11.269 8.856 3.336 1.00 2.18 H new ATOM 0 HD3 LYS A 94 10.606 9.737 4.698 1.00 2.18 H new ATOM 0 HE2 LYS A 94 13.601 9.208 4.371 1.00 2.61 H new ATOM 0 HE3 LYS A 94 12.823 10.656 3.766 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 13.470 11.305 5.868 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 11.880 10.796 6.180 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 13.187 9.782 6.563 1.00 2.96 H new ATOM 628 N GLY A 95 7.036 9.042 6.684 1.00 1.12 N ATOM 629 CA GLY A 95 5.748 9.621 6.178 1.00 1.51 C ATOM 630 C GLY A 95 4.572 8.791 6.707 1.00 1.10 C ATOM 631 O GLY A 95 4.708 7.616 6.980 1.00 1.71 O ATOM 0 H GLY A 95 7.068 8.890 7.692 1.00 1.12 H new ATOM 0 HA2 GLY A 95 5.651 10.657 6.502 1.00 1.51 H new ATOM 0 HA3 GLY A 95 5.742 9.626 5.088 1.00 1.51 H new ATOM 635 N GLY A 96 3.416 9.394 6.863 1.00 1.17 N ATOM 636 CA GLY A 96 2.235 8.643 7.390 1.00 0.99 C ATOM 637 C GLY A 96 1.329 8.193 6.235 1.00 0.81 C ATOM 638 O GLY A 96 0.410 8.892 5.853 1.00 0.83 O ATOM 0 H GLY A 96 3.241 10.375 6.647 1.00 1.17 H new ATOM 0 HA2 GLY A 96 2.571 7.775 7.957 1.00 0.99 H new ATOM 0 HA3 GLY A 96 1.672 9.274 8.078 1.00 0.99 H new ATOM 642 N LEU A 97 1.560 7.027 5.687 1.00 0.67 N ATOM 643 CA LEU A 97 0.689 6.541 4.577 1.00 0.55 C ATOM 644 C LEU A 97 -0.596 5.977 5.192 1.00 0.46 C ATOM 645 O LEU A 97 -1.624 5.889 4.551 1.00 0.49 O ATOM 646 CB LEU A 97 1.434 5.442 3.797 1.00 0.54 C ATOM 647 CG LEU A 97 0.541 4.842 2.692 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.280 5.884 1.599 1.00 0.65 C ATOM 649 CD2 LEU A 97 1.247 3.631 2.072 1.00 0.66 C ATOM 0 H LEU A 97 2.311 6.393 5.960 1.00 0.67 H new ATOM 0 HA LEU A 97 0.444 7.352 3.892 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.338 5.857 3.352 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.748 4.655 4.482 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.409 4.537 3.131 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.351 5.449 0.825 1.00 0.65 H new ATOM 0 HD12 LEU A 97 -0.222 6.749 2.033 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.228 6.197 1.161 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.618 3.204 1.290 1.00 0.66 H new ATOM 0 HD22 LEU A 97 2.198 3.945 1.642 1.00 0.66 H new ATOM 0 HD23 LEU A 97 1.427 2.881 2.842 1.00 0.66 H new ATOM 661 N GLU A 98 -0.540 5.590 6.435 1.00 0.44 N ATOM 662 CA GLU A 98 -1.747 5.029 7.104 1.00 0.40 C ATOM 663 C GLU A 98 -2.927 5.989 6.964 1.00 0.40 C ATOM 664 O GLU A 98 -2.768 7.188 6.850 1.00 0.58 O ATOM 665 CB GLU A 98 -1.452 4.815 8.591 1.00 0.49 C ATOM 666 CG GLU A 98 -2.695 4.256 9.303 1.00 0.48 C ATOM 667 CD GLU A 98 -3.651 5.397 9.667 1.00 1.26 C ATOM 668 OE1 GLU A 98 -3.175 6.412 10.147 1.00 1.94 O ATOM 669 OE2 GLU A 98 -4.842 5.236 9.456 1.00 2.03 O ATOM 0 H GLU A 98 0.294 5.638 7.020 1.00 0.44 H new ATOM 0 HA GLU A 98 -2.000 4.080 6.632 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.616 4.126 8.708 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -1.154 5.758 9.050 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -3.202 3.539 8.657 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.397 3.719 10.204 1.00 0.48 H new ATOM 676 N GLY A 99 -4.112 5.455 7.005 1.00 0.39 N ATOM 677 CA GLY A 99 -5.338 6.295 6.915 1.00 0.42 C ATOM 678 C GLY A 99 -5.310 7.203 5.678 1.00 0.42 C ATOM 679 O GLY A 99 -6.222 7.974 5.455 1.00 0.46 O ATOM 0 H GLY A 99 -4.287 4.455 7.099 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -6.218 5.653 6.876 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -5.428 6.905 7.813 1.00 0.42 H new ATOM 683 N LEU A 100 -4.288 7.133 4.869 1.00 0.41 N ATOM 684 CA LEU A 100 -4.249 8.013 3.658 1.00 0.43 C ATOM 685 C LEU A 100 -5.216 7.455 2.606 1.00 0.42 C ATOM 686 O LEU A 100 -5.114 6.314 2.199 1.00 0.44 O ATOM 687 CB LEU A 100 -2.821 8.061 3.096 1.00 0.45 C ATOM 688 CG LEU A 100 -2.631 9.313 2.219 1.00 0.55 C ATOM 689 CD1 LEU A 100 -2.455 10.571 3.092 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.388 9.129 1.339 1.00 1.17 C ATOM 0 H LEU A 100 -3.486 6.514 4.988 1.00 0.41 H new ATOM 0 HA LEU A 100 -4.550 9.026 3.926 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -2.101 8.070 3.915 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.624 7.164 2.508 1.00 0.45 H new ATOM 0 HG LEU A 100 -3.517 9.442 1.597 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -2.322 11.443 2.451 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -3.339 10.709 3.714 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -1.578 10.452 3.729 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -1.249 10.013 0.716 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.512 8.990 1.972 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.519 8.254 0.703 1.00 1.17 H new ATOM 702 N ILE A 101 -6.167 8.246 2.179 1.00 0.44 N ATOM 703 CA ILE A 101 -7.155 7.753 1.175 1.00 0.45 C ATOM 704 C ILE A 101 -6.468 7.398 -0.148 1.00 0.46 C ATOM 705 O ILE A 101 -6.091 8.253 -0.925 1.00 0.49 O ATOM 706 CB ILE A 101 -8.252 8.815 0.966 1.00 0.50 C ATOM 707 CG1 ILE A 101 -9.212 8.815 2.185 1.00 0.51 C ATOM 708 CG2 ILE A 101 -9.039 8.535 -0.322 1.00 0.54 C ATOM 709 CD1 ILE A 101 -10.261 7.678 2.104 1.00 0.52 C ATOM 0 H ILE A 101 -6.301 9.211 2.482 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.617 6.841 1.553 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.781 9.794 0.874 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.632 8.707 3.102 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.724 9.776 2.242 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.809 9.296 -0.451 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.361 8.557 -1.175 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.507 7.553 -0.256 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.910 7.719 2.979 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.860 7.799 1.202 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.752 6.715 2.075 1.00 0.52 H new ATOM 721 N HIS A 102 -6.340 6.124 -0.411 1.00 0.47 N ATOM 722 CA HIS A 102 -5.722 5.663 -1.682 1.00 0.51 C ATOM 723 C HIS A 102 -6.633 6.086 -2.840 1.00 0.58 C ATOM 724 O HIS A 102 -7.719 5.557 -3.016 1.00 0.64 O ATOM 725 CB HIS A 102 -5.570 4.124 -1.642 1.00 0.57 C ATOM 726 CG HIS A 102 -5.581 3.533 -3.031 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.627 2.743 -3.484 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.690 3.606 -4.072 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.342 2.376 -4.746 1.00 1.36 C ATOM 730 NE2 HIS A 102 -5.173 2.875 -5.155 1.00 0.70 N ATOM 0 H HIS A 102 -6.643 5.375 0.212 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.735 6.105 -1.818 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.638 3.862 -1.141 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.380 3.692 -1.055 1.00 0.57 H new ATOM 0 HD1 HIS A 102 -7.461 2.487 -2.956 1.00 1.41 H new ATOM 0 HD2 HIS A 102 -3.756 4.148 -4.054 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -6.981 1.753 -5.355 1.00 1.36 H new ATOM 738 N SER A 103 -6.194 7.035 -3.622 1.00 0.60 N ATOM 739 CA SER A 103 -7.013 7.500 -4.774 1.00 0.69 C ATOM 740 C SER A 103 -7.039 6.407 -5.845 1.00 0.76 C ATOM 741 O SER A 103 -7.967 5.629 -5.936 1.00 0.85 O ATOM 742 CB SER A 103 -6.396 8.771 -5.357 1.00 0.74 C ATOM 743 OG SER A 103 -6.480 9.816 -4.398 1.00 1.49 O ATOM 0 H SER A 103 -5.298 7.510 -3.510 1.00 0.60 H new ATOM 0 HA SER A 103 -8.029 7.712 -4.441 1.00 0.69 H new ATOM 0 HB2 SER A 103 -5.355 8.593 -5.627 1.00 0.74 H new ATOM 0 HB3 SER A 103 -6.918 9.057 -6.270 1.00 0.74 H new ATOM 0 HG SER A 103 -6.233 10.666 -4.818 1.00 1.49 H new ATOM 749 N GLN A 104 -6.015 6.345 -6.653 1.00 0.81 N ATOM 750 CA GLN A 104 -5.958 5.308 -7.720 1.00 0.92 C ATOM 751 C GLN A 104 -4.554 5.294 -8.327 1.00 0.93 C ATOM 752 O GLN A 104 -3.982 4.252 -8.572 1.00 1.37 O ATOM 753 CB GLN A 104 -6.982 5.635 -8.810 1.00 1.06 C ATOM 754 CG GLN A 104 -7.028 4.492 -9.827 1.00 1.76 C ATOM 755 CD GLN A 104 -8.040 4.825 -10.925 1.00 2.14 C ATOM 756 OE1 GLN A 104 -7.803 5.695 -11.740 1.00 2.64 O ATOM 757 NE2 GLN A 104 -9.164 4.166 -10.980 1.00 2.70 N ATOM 0 H GLN A 104 -5.212 6.972 -6.618 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.187 4.331 -7.295 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.967 5.781 -8.366 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -6.715 6.568 -9.307 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -6.041 4.339 -10.262 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -7.306 3.562 -9.332 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -9.361 3.436 -10.295 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -9.846 4.380 -11.708 1.00 2.70 H new ATOM 766 N ARG A 105 -3.994 6.451 -8.562 1.00 0.83 N ATOM 767 CA ARG A 105 -2.622 6.518 -9.147 1.00 0.87 C ATOM 768 C ARG A 105 -1.589 6.466 -8.019 1.00 0.74 C ATOM 769 O ARG A 105 -0.470 6.033 -8.208 1.00 0.70 O ATOM 770 CB ARG A 105 -2.461 7.830 -9.920 1.00 1.06 C ATOM 771 CG ARG A 105 -3.599 7.977 -10.938 1.00 1.71 C ATOM 772 CD ARG A 105 -3.467 6.914 -12.034 1.00 1.99 C ATOM 773 NE ARG A 105 -4.249 7.337 -13.230 1.00 2.86 N ATOM 774 CZ ARG A 105 -4.049 6.753 -14.380 1.00 3.60 C ATOM 775 NH1 ARG A 105 -3.163 5.801 -14.484 1.00 3.73 N ATOM 776 NH2 ARG A 105 -4.736 7.123 -15.426 1.00 4.61 N ATOM 0 H ARG A 105 -4.428 7.355 -8.374 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.472 5.676 -9.823 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -2.468 8.673 -9.229 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -1.499 7.845 -10.432 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -4.561 7.875 -10.436 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -3.574 8.972 -11.381 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -2.419 6.779 -12.300 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -3.830 5.953 -11.670 1.00 1.99 H new ATOM 0 HE ARG A 105 -4.940 8.083 -13.150 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -2.626 5.513 -13.666 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -3.007 5.345 -15.383 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -5.428 7.868 -15.344 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -4.581 6.668 -16.325 1.00 4.61 H new ATOM 790 N ARG A 106 -1.956 6.908 -6.846 1.00 0.71 N ATOM 791 CA ARG A 106 -0.997 6.887 -5.706 1.00 0.65 C ATOM 792 C ARG A 106 -0.468 5.465 -5.508 1.00 0.54 C ATOM 793 O ARG A 106 0.643 5.263 -5.058 1.00 0.50 O ATOM 794 CB ARG A 106 -1.709 7.346 -4.429 1.00 0.70 C ATOM 795 CG ARG A 106 -1.902 8.870 -4.457 1.00 1.01 C ATOM 796 CD ARG A 106 -2.463 9.362 -3.106 1.00 1.24 C ATOM 797 NE ARG A 106 -3.494 10.423 -3.343 1.00 1.86 N ATOM 798 CZ ARG A 106 -3.270 11.416 -4.164 1.00 2.48 C ATOM 799 NH1 ARG A 106 -2.087 11.592 -4.686 1.00 2.86 N ATOM 800 NH2 ARG A 106 -4.224 12.266 -4.427 1.00 3.29 N ATOM 0 H ARG A 106 -2.879 7.283 -6.629 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.166 7.558 -5.921 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.676 6.850 -4.343 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.125 7.061 -3.554 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -0.951 9.360 -4.664 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -2.583 9.143 -5.263 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -2.904 8.529 -2.559 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -1.656 9.757 -2.488 1.00 1.24 H new ATOM 0 HE ARG A 106 -4.388 10.370 -2.855 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -1.327 10.952 -4.455 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -1.922 12.369 -5.325 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -5.140 12.155 -3.993 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -4.054 13.042 -5.067 1.00 3.29 H new ATOM 814 N GLN A 107 -1.254 4.478 -5.837 1.00 0.55 N ATOM 815 CA GLN A 107 -0.795 3.071 -5.663 1.00 0.52 C ATOM 816 C GLN A 107 0.413 2.811 -6.567 1.00 0.49 C ATOM 817 O GLN A 107 1.417 2.273 -6.140 1.00 0.44 O ATOM 818 CB GLN A 107 -1.930 2.118 -6.044 1.00 0.63 C ATOM 819 CG GLN A 107 -1.575 0.695 -5.612 1.00 1.11 C ATOM 820 CD GLN A 107 -2.673 -0.266 -6.071 1.00 1.53 C ATOM 821 OE1 GLN A 107 -2.402 -1.404 -6.403 1.00 2.13 O ATOM 822 NE2 GLN A 107 -3.911 0.145 -6.106 1.00 2.12 N ATOM 0 H GLN A 107 -2.194 4.584 -6.219 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.512 2.906 -4.623 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.858 2.433 -5.566 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.099 2.150 -7.120 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.617 0.401 -6.041 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -1.466 0.649 -4.528 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -4.140 1.099 -5.828 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -4.650 -0.488 -6.412 1.00 2.12 H new ATOM 831 N ASP A 108 0.324 3.189 -7.814 1.00 0.56 N ATOM 832 CA ASP A 108 1.465 2.964 -8.748 1.00 0.59 C ATOM 833 C ASP A 108 2.718 3.666 -8.217 1.00 0.54 C ATOM 834 O ASP A 108 3.753 3.056 -8.041 1.00 0.54 O ATOM 835 CB ASP A 108 1.109 3.527 -10.125 1.00 0.72 C ATOM 836 CG ASP A 108 -0.162 2.851 -10.641 1.00 0.81 C ATOM 837 OD1 ASP A 108 -1.133 2.818 -9.902 1.00 1.33 O ATOM 838 OD2 ASP A 108 -0.144 2.377 -11.764 1.00 1.42 O ATOM 0 H ASP A 108 -0.490 3.644 -8.227 1.00 0.56 H new ATOM 0 HA ASP A 108 1.661 1.895 -8.828 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.960 4.605 -10.061 1.00 0.72 H new ATOM 0 HB3 ASP A 108 1.931 3.360 -10.821 1.00 0.72 H new ATOM 843 N ILE A 109 2.633 4.945 -7.964 1.00 0.55 N ATOM 844 CA ILE A 109 3.820 5.687 -7.447 1.00 0.54 C ATOM 845 C ILE A 109 4.464 4.898 -6.301 1.00 0.47 C ATOM 846 O ILE A 109 5.669 4.759 -6.232 1.00 0.53 O ATOM 847 CB ILE A 109 3.379 7.066 -6.946 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.972 7.931 -8.142 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.532 7.745 -6.199 1.00 0.63 C ATOM 850 CD1 ILE A 109 2.252 9.187 -7.645 1.00 1.47 C ATOM 0 H ILE A 109 1.792 5.508 -8.093 1.00 0.55 H new ATOM 0 HA ILE A 109 4.549 5.810 -8.248 1.00 0.54 H new ATOM 0 HB ILE A 109 2.533 6.948 -6.268 1.00 0.59 H new ATOM 0 HG12 ILE A 109 3.854 8.209 -8.719 1.00 0.70 H new ATOM 0 HG13 ILE A 109 2.320 7.365 -8.808 1.00 0.70 H new ATOM 0 HG21 ILE A 109 4.210 8.725 -5.846 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.825 7.131 -5.347 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.382 7.863 -6.871 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.963 9.802 -8.497 1.00 1.47 H new ATOM 0 HD12 ILE A 109 1.361 8.899 -7.087 1.00 1.47 H new ATOM 0 HD13 ILE A 109 2.918 9.756 -6.997 1.00 1.47 H new ATOM 862 N LEU A 110 3.672 4.384 -5.402 1.00 0.43 N ATOM 863 CA LEU A 110 4.243 3.610 -4.263 1.00 0.39 C ATOM 864 C LEU A 110 5.219 2.558 -4.800 1.00 0.38 C ATOM 865 O LEU A 110 6.414 2.650 -4.601 1.00 0.38 O ATOM 866 CB LEU A 110 3.106 2.916 -3.500 1.00 0.42 C ATOM 867 CG LEU A 110 3.642 2.265 -2.208 1.00 0.44 C ATOM 868 CD1 LEU A 110 3.791 3.314 -1.098 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.664 1.183 -1.739 1.00 0.66 C ATOM 0 H LEU A 110 2.655 4.466 -5.406 1.00 0.43 H new ATOM 0 HA LEU A 110 4.773 4.285 -3.591 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.330 3.640 -3.254 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.645 2.157 -4.133 1.00 0.42 H new ATOM 0 HG LEU A 110 4.617 1.827 -2.419 1.00 0.44 H new ATOM 0 HD11 LEU A 110 4.170 2.836 -0.195 1.00 0.56 H new ATOM 0 HD12 LEU A 110 4.488 4.087 -1.420 1.00 0.56 H new ATOM 0 HD13 LEU A 110 2.820 3.764 -0.890 1.00 0.56 H new ATOM 0 HD21 LEU A 110 3.042 0.722 -0.826 1.00 0.66 H new ATOM 0 HD22 LEU A 110 1.691 1.633 -1.543 1.00 0.66 H new ATOM 0 HD23 LEU A 110 2.563 0.423 -2.514 1.00 0.66 H new ATOM 881 N ASP A 111 4.719 1.559 -5.471 1.00 0.40 N ATOM 882 CA ASP A 111 5.615 0.496 -6.011 1.00 0.42 C ATOM 883 C ASP A 111 6.768 1.126 -6.795 1.00 0.43 C ATOM 884 O ASP A 111 7.889 0.659 -6.748 1.00 0.42 O ATOM 885 CB ASP A 111 4.813 -0.420 -6.938 1.00 0.50 C ATOM 886 CG ASP A 111 3.744 -1.156 -6.128 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.799 -1.089 -4.912 1.00 1.30 O ATOM 888 OD2 ASP A 111 2.888 -1.775 -6.739 1.00 1.19 O ATOM 0 H ASP A 111 3.727 1.431 -5.670 1.00 0.40 H new ATOM 0 HA ASP A 111 6.023 -0.081 -5.181 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.346 0.165 -7.730 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.476 -1.137 -7.421 1.00 0.50 H new ATOM 893 N LEU A 112 6.506 2.175 -7.524 1.00 0.48 N ATOM 894 CA LEU A 112 7.593 2.820 -8.316 1.00 0.52 C ATOM 895 C LEU A 112 8.654 3.393 -7.375 1.00 0.48 C ATOM 896 O LEU A 112 9.826 3.107 -7.506 1.00 0.47 O ATOM 897 CB LEU A 112 6.999 3.943 -9.172 1.00 0.60 C ATOM 898 CG LEU A 112 8.058 4.494 -10.141 1.00 0.70 C ATOM 899 CD1 LEU A 112 8.372 3.467 -11.244 1.00 1.45 C ATOM 900 CD2 LEU A 112 7.525 5.784 -10.774 1.00 1.26 C ATOM 0 H LEU A 112 5.589 2.614 -7.606 1.00 0.48 H new ATOM 0 HA LEU A 112 8.059 2.076 -8.963 1.00 0.52 H new ATOM 0 HB2 LEU A 112 6.143 3.568 -9.733 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.633 4.744 -8.530 1.00 0.60 H new ATOM 0 HG LEU A 112 8.976 4.697 -9.590 1.00 0.70 H new ATOM 0 HD11 LEU A 112 9.124 3.876 -11.919 1.00 1.45 H new ATOM 0 HD12 LEU A 112 8.752 2.551 -10.791 1.00 1.45 H new ATOM 0 HD13 LEU A 112 7.464 3.245 -11.804 1.00 1.45 H new ATOM 0 HD21 LEU A 112 8.268 6.185 -11.464 1.00 1.26 H new ATOM 0 HD22 LEU A 112 6.604 5.570 -11.317 1.00 1.26 H new ATOM 0 HD23 LEU A 112 7.323 6.516 -9.992 1.00 1.26 H new ATOM 912 N TRP A 113 8.259 4.199 -6.426 1.00 0.48 N ATOM 913 CA TRP A 113 9.261 4.778 -5.488 1.00 0.48 C ATOM 914 C TRP A 113 10.148 3.651 -4.949 1.00 0.43 C ATOM 915 O TRP A 113 11.354 3.776 -4.880 1.00 0.45 O ATOM 916 CB TRP A 113 8.537 5.473 -4.330 1.00 0.52 C ATOM 917 CG TRP A 113 9.532 5.913 -3.304 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.225 7.075 -3.338 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.954 5.220 -2.095 1.00 0.55 C ATOM 920 NE1 TRP A 113 11.047 7.136 -2.226 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.916 6.015 -1.430 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.599 3.988 -1.520 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.505 5.601 -0.235 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.188 3.568 -0.318 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.140 4.372 0.324 1.00 0.67 C ATOM 0 H TRP A 113 7.292 4.479 -6.261 1.00 0.48 H new ATOM 0 HA TRP A 113 9.879 5.510 -6.009 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.979 6.333 -4.701 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.813 4.793 -3.880 1.00 0.52 H new ATOM 0 HD1 TRP A 113 10.149 7.830 -4.106 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.673 7.914 -2.020 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.868 3.360 -2.007 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.238 6.225 0.255 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.906 2.620 0.115 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.591 4.043 1.249 1.00 0.67 H new ATOM 936 N ILE A 114 9.560 2.546 -4.578 1.00 0.39 N ATOM 937 CA ILE A 114 10.367 1.408 -4.056 1.00 0.37 C ATOM 938 C ILE A 114 11.376 0.965 -5.123 1.00 0.39 C ATOM 939 O ILE A 114 12.431 0.447 -4.814 1.00 0.44 O ATOM 940 CB ILE A 114 9.433 0.245 -3.701 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.393 0.729 -2.688 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.235 -0.904 -3.081 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.417 -0.404 -2.367 1.00 1.00 C ATOM 0 H ILE A 114 8.554 2.383 -4.614 1.00 0.39 H new ATOM 0 HA ILE A 114 10.908 1.719 -3.162 1.00 0.37 H new ATOM 0 HB ILE A 114 8.941 -0.108 -4.608 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.888 1.064 -1.777 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.851 1.585 -3.090 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.562 -1.725 -2.833 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.983 -1.251 -3.793 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.731 -0.554 -2.175 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.679 -0.055 -1.645 1.00 1.00 H new ATOM 0 HD12 ILE A 114 6.912 -0.718 -3.280 1.00 1.00 H new ATOM 0 HD13 ILE A 114 7.964 -1.248 -1.946 1.00 1.00 H new ATOM 955 N TYR A 115 11.067 1.155 -6.377 1.00 0.40 N ATOM 956 CA TYR A 115 12.023 0.736 -7.443 1.00 0.46 C ATOM 957 C TYR A 115 13.301 1.584 -7.363 1.00 0.51 C ATOM 958 O TYR A 115 14.394 1.070 -7.233 1.00 0.54 O ATOM 959 CB TYR A 115 11.368 0.913 -8.819 1.00 0.53 C ATOM 960 CG TYR A 115 12.101 0.079 -9.846 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.884 -1.304 -9.907 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.995 0.685 -10.737 1.00 0.74 C ATOM 963 CE1 TYR A 115 12.560 -2.080 -10.855 1.00 0.65 C ATOM 964 CE2 TYR A 115 13.672 -0.092 -11.686 1.00 0.82 C ATOM 965 CZ TYR A 115 13.455 -1.473 -11.746 1.00 0.77 C ATOM 966 OH TYR A 115 14.121 -2.239 -12.681 1.00 0.87 O ATOM 0 H TYR A 115 10.201 1.579 -6.709 1.00 0.40 H new ATOM 0 HA TYR A 115 12.283 -0.313 -7.299 1.00 0.46 H new ATOM 0 HB2 TYR A 115 10.321 0.614 -8.775 1.00 0.53 H new ATOM 0 HB3 TYR A 115 11.388 1.964 -9.109 1.00 0.53 H new ATOM 0 HD1 TYR A 115 11.194 -1.772 -9.221 1.00 0.56 H new ATOM 0 HD2 TYR A 115 13.163 1.751 -10.693 1.00 0.74 H new ATOM 0 HE1 TYR A 115 12.392 -3.146 -10.900 1.00 0.65 H new ATOM 0 HE2 TYR A 115 14.362 0.376 -12.372 1.00 0.82 H new ATOM 0 HH TYR A 115 14.702 -1.664 -13.221 1.00 0.87 H new ATOM 976 N HIS A 116 13.172 2.880 -7.453 1.00 0.58 N ATOM 977 CA HIS A 116 14.374 3.766 -7.399 1.00 0.67 C ATOM 978 C HIS A 116 15.110 3.602 -6.062 1.00 0.67 C ATOM 979 O HIS A 116 16.171 4.160 -5.868 1.00 0.81 O ATOM 980 CB HIS A 116 13.931 5.223 -7.550 1.00 0.79 C ATOM 981 CG HIS A 116 12.971 5.340 -8.703 1.00 1.20 C ATOM 982 ND1 HIS A 116 12.621 4.252 -9.489 1.00 1.99 N ATOM 983 CD2 HIS A 116 12.280 6.410 -9.215 1.00 2.05 C ATOM 984 CE1 HIS A 116 11.754 4.689 -10.422 1.00 2.71 C ATOM 985 NE2 HIS A 116 11.513 5.996 -10.301 1.00 2.74 N ATOM 0 H HIS A 116 12.282 3.367 -7.562 1.00 0.58 H new ATOM 0 HA HIS A 116 15.049 3.489 -8.208 1.00 0.67 H new ATOM 0 HB2 HIS A 116 13.456 5.567 -6.631 1.00 0.79 H new ATOM 0 HB3 HIS A 116 14.798 5.862 -7.719 1.00 0.79 H new ATOM 0 HD2 HIS A 116 12.324 7.419 -8.834 1.00 2.05 H new ATOM 0 HE1 HIS A 116 11.308 4.058 -11.177 1.00 2.71 H new ATOM 0 HE2 HIS A 116 10.899 6.569 -10.880 1.00 2.74 H new ATOM 993 N THR A 117 14.565 2.852 -5.135 1.00 0.63 N ATOM 994 CA THR A 117 15.254 2.676 -3.814 1.00 0.68 C ATOM 995 C THR A 117 16.085 1.389 -3.821 1.00 0.66 C ATOM 996 O THR A 117 17.210 1.372 -4.278 1.00 0.73 O ATOM 997 CB THR A 117 14.214 2.605 -2.688 1.00 0.80 C ATOM 998 OG1 THR A 117 13.294 1.559 -2.954 1.00 0.85 O ATOM 999 CG2 THR A 117 13.465 3.935 -2.590 1.00 0.91 C ATOM 0 H THR A 117 13.679 2.356 -5.233 1.00 0.63 H new ATOM 0 HA THR A 117 15.913 3.528 -3.646 1.00 0.68 H new ATOM 0 HB THR A 117 14.721 2.409 -1.744 1.00 0.80 H new ATOM 0 HG1 THR A 117 13.406 1.252 -3.878 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.728 3.879 -1.789 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.173 4.736 -2.377 1.00 0.91 H new ATOM 0 HG23 THR A 117 12.960 4.139 -3.534 1.00 0.91 H new ATOM 1007 N GLN A 118 15.549 0.313 -3.308 1.00 0.73 N ATOM 1008 CA GLN A 118 16.325 -0.965 -3.278 1.00 0.83 C ATOM 1009 C GLN A 118 16.186 -1.690 -4.623 1.00 0.72 C ATOM 1010 O GLN A 118 16.912 -2.620 -4.912 1.00 0.91 O ATOM 1011 CB GLN A 118 15.806 -1.864 -2.140 1.00 1.06 C ATOM 1012 CG GLN A 118 15.311 -0.997 -0.973 1.00 1.48 C ATOM 1013 CD GLN A 118 13.893 -0.481 -1.253 1.00 2.12 C ATOM 1014 OE1 GLN A 118 13.323 0.225 -0.445 1.00 2.89 O ATOM 1015 NE2 GLN A 118 13.294 -0.800 -2.370 1.00 2.13 N ATOM 0 H GLN A 118 14.611 0.262 -2.910 1.00 0.73 H new ATOM 0 HA GLN A 118 17.377 -0.741 -3.102 1.00 0.83 H new ATOM 0 HB2 GLN A 118 14.996 -2.495 -2.504 1.00 1.06 H new ATOM 0 HB3 GLN A 118 16.600 -2.529 -1.799 1.00 1.06 H new ATOM 0 HG2 GLN A 118 15.318 -1.579 -0.051 1.00 1.48 H new ATOM 0 HG3 GLN A 118 15.988 -0.156 -0.824 1.00 1.48 H new ATOM 0 HE21 GLN A 118 13.768 -1.392 -3.052 1.00 2.13 H new ATOM 0 HE22 GLN A 118 12.353 -0.457 -2.560 1.00 2.13 H new ATOM 1024 N GLY A 119 15.273 -1.264 -5.452 1.00 0.86 N ATOM 1025 CA GLY A 119 15.109 -1.922 -6.780 1.00 0.85 C ATOM 1026 C GLY A 119 14.299 -3.214 -6.647 1.00 0.65 C ATOM 1027 O GLY A 119 14.526 -4.166 -7.367 1.00 0.67 O ATOM 0 H GLY A 119 14.634 -0.490 -5.268 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.608 -1.242 -7.469 1.00 0.85 H new ATOM 0 HA3 GLY A 119 16.088 -2.143 -7.205 1.00 0.85 H new ATOM 1031 N TYR A 120 13.352 -3.262 -5.752 1.00 0.54 N ATOM 1032 CA TYR A 120 12.545 -4.507 -5.620 1.00 0.44 C ATOM 1033 C TYR A 120 11.569 -4.580 -6.795 1.00 0.49 C ATOM 1034 O TYR A 120 10.909 -3.614 -7.126 1.00 0.70 O ATOM 1035 CB TYR A 120 11.759 -4.493 -4.302 1.00 0.48 C ATOM 1036 CG TYR A 120 12.671 -4.859 -3.145 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.305 -6.112 -3.111 1.00 0.58 C ATOM 1038 CD2 TYR A 120 12.883 -3.944 -2.107 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.147 -6.439 -2.043 1.00 0.71 C ATOM 1040 CE2 TYR A 120 13.727 -4.274 -1.041 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.359 -5.521 -1.009 1.00 0.75 C ATOM 1042 OH TYR A 120 15.191 -5.847 0.043 1.00 0.91 O ATOM 0 H TYR A 120 13.104 -2.505 -5.115 1.00 0.54 H new ATOM 0 HA TYR A 120 13.206 -5.373 -5.622 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.329 -3.505 -4.137 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.929 -5.197 -4.357 1.00 0.48 H new ATOM 0 HD1 TYR A 120 13.143 -6.822 -3.908 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.394 -2.981 -2.129 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.635 -7.402 -2.017 1.00 0.71 H new ATOM 0 HE2 TYR A 120 13.890 -3.565 -0.243 1.00 0.71 H new ATOM 0 HH TYR A 120 15.229 -5.098 0.674 1.00 0.91 H new ATOM 1052 N PHE A 121 11.474 -5.712 -7.429 1.00 0.48 N ATOM 1053 CA PHE A 121 10.540 -5.838 -8.586 1.00 0.57 C ATOM 1054 C PHE A 121 9.101 -5.982 -8.047 1.00 0.55 C ATOM 1055 O PHE A 121 8.887 -6.610 -7.030 1.00 0.59 O ATOM 1056 CB PHE A 121 10.923 -7.073 -9.425 1.00 0.68 C ATOM 1057 CG PHE A 121 11.542 -8.129 -8.535 1.00 1.42 C ATOM 1058 CD1 PHE A 121 10.728 -8.915 -7.711 1.00 2.32 C ATOM 1059 CD2 PHE A 121 12.930 -8.320 -8.534 1.00 2.33 C ATOM 1060 CE1 PHE A 121 11.300 -9.893 -6.888 1.00 3.44 C ATOM 1061 CE2 PHE A 121 13.502 -9.298 -7.712 1.00 3.43 C ATOM 1062 CZ PHE A 121 12.687 -10.084 -6.889 1.00 3.85 C ATOM 0 H PHE A 121 12.000 -6.555 -7.200 1.00 0.48 H new ATOM 0 HA PHE A 121 10.603 -4.953 -9.220 1.00 0.57 H new ATOM 0 HB2 PHE A 121 10.039 -7.475 -9.920 1.00 0.68 H new ATOM 0 HB3 PHE A 121 11.625 -6.788 -10.208 1.00 0.68 H new ATOM 0 HD1 PHE A 121 9.658 -8.767 -7.710 1.00 2.32 H new ATOM 0 HD2 PHE A 121 13.559 -7.712 -9.168 1.00 2.33 H new ATOM 0 HE1 PHE A 121 10.672 -10.500 -6.253 1.00 3.44 H new ATOM 0 HE2 PHE A 121 14.572 -9.446 -7.713 1.00 3.43 H new ATOM 0 HZ PHE A 121 13.128 -10.838 -6.254 1.00 3.85 H new ATOM 1072 N PRO A 122 8.118 -5.404 -8.709 1.00 0.64 N ATOM 1073 CA PRO A 122 6.696 -5.486 -8.255 1.00 0.67 C ATOM 1074 C PRO A 122 6.047 -6.837 -8.573 1.00 0.73 C ATOM 1075 O PRO A 122 5.565 -7.070 -9.664 1.00 1.19 O ATOM 1076 CB PRO A 122 6.016 -4.359 -9.038 1.00 0.80 C ATOM 1077 CG PRO A 122 6.780 -4.290 -10.318 1.00 1.05 C ATOM 1078 CD PRO A 122 8.235 -4.612 -9.954 1.00 0.87 C ATOM 0 HA PRO A 122 6.608 -5.390 -7.173 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.962 -4.576 -9.214 1.00 0.80 H new ATOM 0 HB3 PRO A 122 6.061 -3.414 -8.496 1.00 0.80 H new ATOM 0 HG2 PRO A 122 6.391 -5.004 -11.044 1.00 1.05 H new ATOM 0 HG3 PRO A 122 6.699 -3.301 -10.769 1.00 1.05 H new ATOM 0 HD2 PRO A 122 8.730 -5.178 -10.744 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.819 -3.705 -9.798 1.00 0.87 H new ATOM 1086 N ASP A 123 6.019 -7.713 -7.614 1.00 0.56 N ATOM 1087 CA ASP A 123 5.389 -9.045 -7.819 1.00 0.64 C ATOM 1088 C ASP A 123 5.000 -9.594 -6.449 1.00 0.58 C ATOM 1089 O ASP A 123 4.894 -10.789 -6.250 1.00 0.65 O ATOM 1090 CB ASP A 123 6.385 -9.992 -8.499 1.00 0.74 C ATOM 1091 CG ASP A 123 7.550 -10.287 -7.551 1.00 0.77 C ATOM 1092 OD1 ASP A 123 7.652 -9.610 -6.541 1.00 1.27 O ATOM 1093 OD2 ASP A 123 8.320 -11.183 -7.853 1.00 1.38 O ATOM 0 H ASP A 123 6.410 -7.563 -6.684 1.00 0.56 H new ATOM 0 HA ASP A 123 4.509 -8.957 -8.456 1.00 0.64 H new ATOM 0 HB2 ASP A 123 5.886 -10.921 -8.777 1.00 0.74 H new ATOM 0 HB3 ASP A 123 6.758 -9.543 -9.419 1.00 0.74 H new ATOM 1098 N TRP A 124 4.805 -8.715 -5.497 1.00 0.53 N ATOM 1099 CA TRP A 124 4.440 -9.150 -4.113 1.00 0.52 C ATOM 1100 C TRP A 124 3.260 -8.330 -3.607 1.00 0.51 C ATOM 1101 O TRP A 124 2.437 -8.799 -2.846 1.00 0.55 O ATOM 1102 CB TRP A 124 5.642 -8.919 -3.196 1.00 0.49 C ATOM 1103 CG TRP A 124 6.036 -7.477 -3.265 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.767 -6.913 -4.258 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.725 -6.405 -2.330 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.927 -5.566 -3.986 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.303 -5.206 -2.809 1.00 0.41 C ATOM 1108 CE3 TRP A 124 5.008 -6.358 -1.122 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 6.172 -4.002 -2.116 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.872 -5.149 -0.423 1.00 0.58 C ATOM 1111 CH2 TRP A 124 5.454 -3.974 -0.919 1.00 0.55 C ATOM 0 H TRP A 124 4.884 -7.706 -5.621 1.00 0.53 H new ATOM 0 HA TRP A 124 4.165 -10.205 -4.120 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.392 -9.192 -2.171 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.475 -9.552 -3.501 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.160 -7.431 -5.120 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.443 -4.919 -4.582 1.00 0.42 H new ATOM 0 HE3 TRP A 124 4.559 -7.258 -0.729 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.622 -3.099 -2.502 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 4.316 -5.123 0.502 1.00 0.58 H new ATOM 0 HH2 TRP A 124 5.347 -3.047 -0.375 1.00 0.55 H new ATOM 1122 N GLN A 125 3.182 -7.112 -4.022 1.00 0.53 N ATOM 1123 CA GLN A 125 2.063 -6.234 -3.575 1.00 0.60 C ATOM 1124 C GLN A 125 0.779 -6.622 -4.322 1.00 0.66 C ATOM 1125 O GLN A 125 0.654 -6.426 -5.514 1.00 0.84 O ATOM 1126 CB GLN A 125 2.421 -4.752 -3.837 1.00 0.69 C ATOM 1127 CG GLN A 125 3.449 -4.647 -4.969 1.00 1.56 C ATOM 1128 CD GLN A 125 2.960 -5.426 -6.190 1.00 2.18 C ATOM 1129 OE1 GLN A 125 3.357 -6.554 -6.404 1.00 2.78 O ATOM 1130 NE2 GLN A 125 2.108 -4.868 -7.005 1.00 2.82 N ATOM 0 H GLN A 125 3.847 -6.673 -4.658 1.00 0.53 H new ATOM 0 HA GLN A 125 1.900 -6.364 -2.505 1.00 0.60 H new ATOM 0 HB2 GLN A 125 1.522 -4.194 -4.100 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.822 -4.301 -2.929 1.00 0.69 H new ATOM 0 HG2 GLN A 125 3.606 -3.601 -5.233 1.00 1.56 H new ATOM 0 HG3 GLN A 125 4.410 -5.040 -4.637 1.00 1.56 H new ATOM 0 HE21 GLN A 125 1.775 -3.921 -6.825 1.00 2.82 H new ATOM 0 HE22 GLN A 125 1.775 -5.379 -7.823 1.00 2.82 H new ATOM 1139 N ASN A 126 -0.178 -7.175 -3.624 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.453 -7.578 -4.286 1.00 0.72 C ATOM 1141 C ASN A 126 -2.577 -7.615 -3.247 1.00 0.69 C ATOM 1142 O ASN A 126 -2.371 -7.327 -2.083 1.00 1.22 O ATOM 1143 CB ASN A 126 -1.286 -8.965 -4.911 1.00 0.84 C ATOM 1144 CG ASN A 126 -0.179 -8.920 -5.964 1.00 0.89 C ATOM 1145 OD1 ASN A 126 -0.450 -8.838 -7.146 1.00 1.53 O ATOM 1146 ND2 ASN A 126 1.069 -8.969 -5.585 1.00 0.88 N ATOM 0 H ASN A 126 -0.131 -7.365 -2.623 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.703 -6.858 -5.065 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -1.040 -9.696 -4.140 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -2.223 -9.285 -5.367 1.00 0.84 H new ATOM 0 HD21 ASN A 126 1.815 -8.938 -6.280 1.00 0.88 H new ATOM 0 HD22 ASN A 126 1.299 -9.038 -4.594 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.767 -7.968 -3.656 1.00 0.69 N ATOM 1154 CA TYR A 127 -4.912 -8.021 -2.695 1.00 0.61 C ATOM 1155 C TYR A 127 -6.031 -8.873 -3.303 1.00 0.63 C ATOM 1156 O TYR A 127 -5.921 -9.357 -4.413 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.458 -6.599 -2.426 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.340 -5.585 -2.434 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -3.882 -5.060 -3.648 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -3.763 -5.165 -1.228 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -2.848 -4.115 -3.658 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -2.729 -4.221 -1.239 1.00 1.19 C ATOM 1163 CZ TYR A 127 -2.272 -3.696 -2.454 1.00 1.23 C ATOM 1164 OH TYR A 127 -1.253 -2.766 -2.465 1.00 1.48 O ATOM 0 H TYR A 127 -3.998 -8.223 -4.616 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.567 -8.454 -1.756 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -6.196 -6.339 -3.184 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -5.968 -6.577 -1.463 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -4.326 -5.384 -4.578 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.116 -5.569 -0.291 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -2.496 -3.710 -4.595 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.284 -3.898 -0.310 1.00 1.19 H new ATOM 0 HH TYR A 127 -0.966 -2.584 -1.546 1.00 1.48 H new ATOM 1174 N THR A 128 -7.104 -9.064 -2.586 1.00 0.62 N ATOM 1175 CA THR A 128 -8.220 -9.888 -3.129 1.00 0.68 C ATOM 1176 C THR A 128 -8.789 -9.208 -4.386 1.00 0.75 C ATOM 1177 O THR A 128 -8.783 -7.998 -4.487 1.00 0.97 O ATOM 1178 CB THR A 128 -9.323 -10.008 -2.075 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.835 -8.716 -1.779 1.00 1.22 O ATOM 1180 CG2 THR A 128 -8.751 -10.636 -0.804 1.00 0.90 C ATOM 0 H THR A 128 -7.256 -8.686 -1.651 1.00 0.62 H new ATOM 0 HA THR A 128 -7.850 -10.881 -3.385 1.00 0.68 H new ATOM 0 HB THR A 128 -10.125 -10.638 -2.458 1.00 0.86 H new ATOM 0 HG1 THR A 128 -10.543 -8.791 -1.105 1.00 1.22 H new ATOM 0 HG21 THR A 128 -9.538 -10.721 -0.054 1.00 0.90 H new ATOM 0 HG22 THR A 128 -8.359 -11.627 -1.032 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.948 -10.008 -0.418 1.00 0.90 H new ATOM 1249 N ARG A 134 -10.305 -5.008 1.498 1.00 0.51 N ATOM 1250 CA ARG A 134 -9.276 -5.623 0.609 1.00 0.49 C ATOM 1251 C ARG A 134 -8.095 -6.104 1.463 1.00 0.40 C ATOM 1252 O ARG A 134 -7.297 -5.316 1.937 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.803 -4.577 -0.424 1.00 0.58 C ATOM 1254 CG ARG A 134 -9.576 -4.737 -1.739 1.00 1.06 C ATOM 1255 CD ARG A 134 -9.285 -3.541 -2.647 1.00 1.37 C ATOM 1256 NE ARG A 134 -9.947 -3.743 -3.966 1.00 1.86 N ATOM 1257 CZ ARG A 134 -10.090 -2.737 -4.782 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -9.659 -1.553 -4.441 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -10.668 -2.913 -5.939 1.00 3.36 N ATOM 0 HA ARG A 134 -9.700 -6.475 0.078 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -8.951 -3.572 -0.028 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.735 -4.694 -0.606 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -9.285 -5.663 -2.234 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -10.645 -4.805 -1.539 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -9.647 -2.623 -2.184 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -8.209 -3.427 -2.782 1.00 1.37 H new ATOM 0 HE ARG A 134 -10.288 -4.667 -4.230 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -9.210 -1.415 -3.536 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -9.771 -0.766 -5.080 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -11.008 -3.838 -6.204 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -10.780 -2.126 -6.578 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.978 -7.392 1.661 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.850 -7.925 2.480 1.00 0.39 C ATOM 1275 C TYR A 135 -5.608 -8.099 1.588 1.00 0.36 C ATOM 1276 O TYR A 135 -5.729 -8.398 0.415 1.00 0.39 O ATOM 1277 CB TYR A 135 -7.237 -9.292 3.053 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.551 -9.190 3.789 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.757 -9.316 3.091 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -8.561 -8.979 5.173 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.974 -9.230 3.776 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -9.778 -8.892 5.859 1.00 0.85 C ATOM 1283 CZ TYR A 135 -10.985 -9.017 5.160 1.00 0.92 C ATOM 1284 OH TYR A 135 -12.185 -8.931 5.836 1.00 1.17 O ATOM 0 H TYR A 135 -8.615 -8.097 1.291 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.634 -7.229 3.290 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.317 -10.023 2.249 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.459 -9.646 3.729 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.749 -9.480 2.024 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -7.630 -8.883 5.711 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.905 -9.328 3.237 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -9.786 -8.729 6.927 1.00 0.85 H new ATOM 0 HH TYR A 135 -12.013 -8.783 6.789 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.419 -7.937 2.133 1.00 0.37 N ATOM 1295 CA PRO A 136 -3.152 -8.108 1.359 1.00 0.38 C ATOM 1296 C PRO A 136 -2.793 -9.588 1.209 1.00 0.37 C ATOM 1297 O PRO A 136 -2.604 -10.287 2.185 1.00 0.38 O ATOM 1298 CB PRO A 136 -2.120 -7.394 2.231 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.607 -7.622 3.622 1.00 0.51 C ATOM 1300 CD PRO A 136 -4.136 -7.569 3.537 1.00 0.44 C ATOM 0 HA PRO A 136 -3.216 -7.713 0.345 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -1.121 -7.805 2.085 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -2.065 -6.331 1.996 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -2.269 -8.586 4.003 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -2.225 -6.859 4.301 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.601 -8.265 4.235 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.517 -6.576 3.776 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.702 -10.081 0.006 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.361 -11.520 -0.164 1.00 0.43 C ATOM 1310 C LEU A 137 -0.953 -11.779 0.378 1.00 0.41 C ATOM 1311 O LEU A 137 -0.652 -12.856 0.855 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.426 -11.903 -1.649 1.00 0.51 C ATOM 1313 CG LEU A 137 -3.885 -11.824 -2.150 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -3.901 -11.567 -3.660 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -4.631 -13.139 -1.864 1.00 0.92 C ATOM 0 H LEU A 137 -2.847 -9.557 -0.857 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.079 -12.127 0.388 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.795 -11.234 -2.234 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.038 -12.912 -1.790 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.382 -11.008 -1.624 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -4.932 -11.512 -4.009 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.395 -10.626 -3.874 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.387 -12.380 -4.173 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.657 -13.061 -2.225 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -4.128 -13.961 -2.374 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.638 -13.328 -0.790 1.00 0.92 H new ATOM 1327 N THR A 138 -0.085 -10.804 0.313 1.00 0.50 N ATOM 1328 CA THR A 138 1.297 -11.011 0.834 1.00 0.55 C ATOM 1329 C THR A 138 1.230 -11.215 2.351 1.00 0.47 C ATOM 1330 O THR A 138 0.183 -11.096 2.957 1.00 0.50 O ATOM 1331 CB THR A 138 2.172 -9.785 0.495 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.635 -9.129 -0.643 1.00 0.98 O ATOM 1333 CG2 THR A 138 3.612 -10.224 0.195 1.00 1.04 C ATOM 0 H THR A 138 -0.272 -9.880 -0.076 1.00 0.50 H new ATOM 0 HA THR A 138 1.741 -11.892 0.370 1.00 0.55 H new ATOM 0 HB THR A 138 2.180 -9.107 1.348 1.00 0.73 H new ATOM 0 HG1 THR A 138 2.244 -9.241 -1.403 1.00 0.98 H new ATOM 0 HG21 THR A 138 4.217 -9.349 -0.042 1.00 1.04 H new ATOM 0 HG22 THR A 138 4.028 -10.727 1.068 1.00 1.04 H new ATOM 0 HG23 THR A 138 3.615 -10.908 -0.654 1.00 1.04 H new ATOM 1341 N PHE A 139 2.341 -11.526 2.966 1.00 0.51 N ATOM 1342 CA PHE A 139 2.355 -11.746 4.448 1.00 0.49 C ATOM 1343 C PHE A 139 2.910 -10.524 5.170 1.00 0.65 C ATOM 1344 O PHE A 139 2.189 -9.719 5.724 1.00 1.43 O ATOM 1345 CB PHE A 139 3.224 -12.967 4.777 1.00 0.52 C ATOM 1346 CG PHE A 139 3.112 -13.278 6.254 1.00 0.50 C ATOM 1347 CD1 PHE A 139 2.101 -14.132 6.706 1.00 0.67 C ATOM 1348 CD2 PHE A 139 4.010 -12.713 7.168 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.983 -14.420 8.072 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.894 -13.002 8.534 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.879 -13.855 8.987 1.00 0.66 C ATOM 0 H PHE A 139 3.244 -11.638 2.506 1.00 0.51 H new ATOM 0 HA PHE A 139 1.332 -11.916 4.782 1.00 0.49 H new ATOM 0 HB2 PHE A 139 2.903 -13.826 4.188 1.00 0.52 H new ATOM 0 HB3 PHE A 139 4.263 -12.770 4.513 1.00 0.52 H new ATOM 0 HD1 PHE A 139 1.410 -14.570 6.001 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.792 -12.054 6.820 1.00 0.59 H new ATOM 0 HE1 PHE A 139 1.200 -15.078 8.419 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.588 -12.567 9.238 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.788 -14.076 10.040 1.00 0.66 H new ATOM 1361 N GLY A 140 4.192 -10.421 5.190 1.00 0.46 N ATOM 1362 CA GLY A 140 4.865 -9.301 5.901 1.00 0.43 C ATOM 1363 C GLY A 140 4.212 -7.955 5.578 1.00 0.35 C ATOM 1364 O GLY A 140 4.298 -7.023 6.353 1.00 0.32 O ATOM 0 H GLY A 140 4.826 -11.077 4.735 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.826 -9.476 6.976 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.918 -9.272 5.621 1.00 0.43 H new ATOM 1368 N TRP A 141 3.562 -7.831 4.457 1.00 0.34 N ATOM 1369 CA TRP A 141 2.920 -6.523 4.131 1.00 0.29 C ATOM 1370 C TRP A 141 1.685 -6.366 5.008 1.00 0.32 C ATOM 1371 O TRP A 141 0.630 -6.902 4.733 1.00 0.40 O ATOM 1372 CB TRP A 141 2.547 -6.486 2.648 1.00 0.33 C ATOM 1373 CG TRP A 141 2.211 -5.087 2.218 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.063 -4.744 1.589 1.00 0.35 C ATOM 1375 CD2 TRP A 141 2.991 -3.850 2.348 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.082 -3.390 1.322 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.243 -2.794 1.769 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.255 -3.536 2.900 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.722 -1.484 1.737 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.737 -2.216 2.866 1.00 0.31 C ATOM 1381 CH2 TRP A 141 3.972 -1.193 2.285 1.00 0.33 C ATOM 0 H TRP A 141 3.446 -8.566 3.759 1.00 0.34 H new ATOM 0 HA TRP A 141 3.607 -5.699 4.324 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.376 -6.866 2.050 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.696 -7.142 2.466 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.261 -5.421 1.336 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.328 -2.890 0.851 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.853 -4.315 3.350 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.129 -0.700 1.291 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.703 -1.987 3.290 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.350 -0.182 2.262 1.00 0.33 H new ATOM 1392 N CYS A 142 1.838 -5.664 6.093 1.00 0.31 N ATOM 1393 CA CYS A 142 0.712 -5.488 7.052 1.00 0.40 C ATOM 1394 C CYS A 142 -0.191 -4.313 6.665 1.00 0.39 C ATOM 1395 O CYS A 142 -0.568 -3.521 7.505 1.00 0.48 O ATOM 1396 CB CYS A 142 1.298 -5.251 8.443 1.00 0.47 C ATOM 1397 SG CYS A 142 2.853 -6.168 8.601 1.00 1.45 S ATOM 0 H CYS A 142 2.705 -5.199 6.361 1.00 0.31 H new ATOM 0 HA CYS A 142 0.097 -6.388 7.036 1.00 0.40 H new ATOM 0 HB2 CYS A 142 1.472 -4.187 8.600 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.592 -5.575 9.208 1.00 0.47 H new ATOM 0 HG CYS A 142 3.359 -6.371 7.421 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.550 -4.195 5.417 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.444 -3.069 4.988 1.00 0.40 C ATOM 1405 C TYR A 143 -2.831 -3.622 4.658 1.00 0.43 C ATOM 1406 O TYR A 143 -2.966 -4.629 3.991 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.848 -2.394 3.755 1.00 0.55 C ATOM 1408 CG TYR A 143 0.400 -1.650 4.169 1.00 1.43 C ATOM 1409 CD1 TYR A 143 1.547 -2.366 4.525 1.00 2.17 C ATOM 1410 CD2 TYR A 143 0.405 -0.250 4.213 1.00 2.16 C ATOM 1411 CE1 TYR A 143 2.701 -1.685 4.925 1.00 3.14 C ATOM 1412 CE2 TYR A 143 1.561 0.432 4.611 1.00 3.14 C ATOM 1413 CZ TYR A 143 2.709 -0.286 4.969 1.00 3.52 C ATOM 1414 OH TYR A 143 3.848 0.386 5.364 1.00 4.57 O ATOM 0 H TYR A 143 -0.265 -4.828 4.670 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.530 -2.338 5.792 1.00 0.40 H new ATOM 0 HB2 TYR A 143 -0.610 -3.138 2.994 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -1.570 -1.706 3.314 1.00 0.55 H new ATOM 0 HD1 TYR A 143 1.542 -3.445 4.491 1.00 2.17 H new ATOM 0 HD2 TYR A 143 -0.482 0.303 3.940 1.00 2.16 H new ATOM 0 HE1 TYR A 143 3.586 -2.239 5.200 1.00 3.14 H new ATOM 0 HE2 TYR A 143 1.568 1.512 4.642 1.00 3.14 H new ATOM 0 HH TYR A 143 3.684 1.352 5.337 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.865 -2.968 5.128 1.00 0.39 N ATOM 1425 CA LYS A 144 -5.262 -3.438 4.863 1.00 0.51 C ATOM 1426 C LYS A 144 -6.085 -2.273 4.312 1.00 0.43 C ATOM 1427 O LYS A 144 -6.432 -1.355 5.030 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.899 -3.915 6.181 1.00 0.70 C ATOM 1429 CG LYS A 144 -5.461 -5.346 6.501 1.00 1.21 C ATOM 1430 CD LYS A 144 -6.244 -5.853 7.717 1.00 1.24 C ATOM 1431 CE LYS A 144 -5.597 -7.130 8.261 1.00 1.57 C ATOM 1432 NZ LYS A 144 -4.430 -6.769 9.114 1.00 2.32 N ATOM 0 H LYS A 144 -3.800 -2.119 5.690 1.00 0.39 H new ATOM 0 HA LYS A 144 -5.242 -4.257 4.144 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -5.609 -3.249 6.994 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -6.985 -3.870 6.104 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -5.639 -5.994 5.643 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -4.391 -5.374 6.705 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -6.264 -5.087 8.492 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -7.279 -6.050 7.437 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -6.323 -7.700 8.841 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -5.276 -7.768 7.437 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -4.010 -7.633 9.512 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -3.720 -6.272 8.539 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -4.744 -6.149 9.888 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.422 -2.302 3.053 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.242 -1.194 2.494 1.00 0.37 C ATOM 1448 C LEU A 145 -8.678 -1.382 2.992 1.00 0.38 C ATOM 1449 O LEU A 145 -9.140 -2.493 3.155 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.192 -1.231 0.959 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.907 -0.537 0.451 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.526 -1.095 -0.927 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -6.134 0.980 0.336 1.00 0.52 C ATOM 0 H LEU A 145 -6.168 -3.037 2.393 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.858 -0.227 2.818 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.218 -2.264 0.612 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -8.070 -0.734 0.547 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.102 -0.729 1.161 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.620 -0.603 -1.281 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.350 -2.168 -0.849 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.337 -0.911 -1.631 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -5.222 1.458 -0.023 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.946 1.174 -0.365 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -6.395 1.384 1.314 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.377 -0.312 3.258 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.772 -0.434 3.783 1.00 0.50 C ATOM 1467 C VAL A 146 -11.511 0.888 3.497 1.00 0.59 C ATOM 1468 O VAL A 146 -10.968 1.949 3.728 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.695 -0.655 5.316 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -12.085 -0.554 5.970 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -10.111 -2.041 5.617 1.00 0.56 C ATOM 0 H VAL A 146 -9.044 0.644 3.135 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.297 -1.265 3.312 1.00 0.50 H new ATOM 0 HB VAL A 146 -10.054 0.125 5.728 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.994 -0.714 7.044 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.503 0.435 5.785 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.743 -1.312 5.545 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -10.060 -2.188 6.696 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.748 -2.808 5.176 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -9.109 -2.114 5.194 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.736 0.851 3.007 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.498 2.103 2.722 1.00 0.81 C ATOM 1483 C PRO A 147 -13.857 2.848 4.012 1.00 0.91 C ATOM 1484 O PRO A 147 -13.498 2.441 5.097 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.756 1.617 1.983 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.934 0.197 2.416 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.529 -0.352 2.671 1.00 0.75 C ATOM 0 HA PRO A 147 -12.920 2.816 2.133 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.625 2.221 2.244 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.631 1.688 0.902 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.544 0.139 3.317 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.445 -0.383 1.647 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.524 -1.075 3.487 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -13.132 -0.860 1.792 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.419 4.465 -0.866 1.00 0.58 N ATOM 1781 CA LEU A 181 -10.017 3.490 0.211 1.00 0.52 C ATOM 1782 C LEU A 181 -8.813 4.023 0.992 1.00 0.47 C ATOM 1783 O LEU A 181 -7.903 4.577 0.430 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.620 2.155 -0.430 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.744 1.642 -1.345 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.184 0.592 -2.305 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.860 1.008 -0.506 1.00 0.87 C ATOM 0 HA LEU A 181 -10.862 3.355 0.886 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.703 2.280 -1.006 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.411 1.420 0.347 1.00 0.60 H new ATOM 0 HG LEU A 181 -11.149 2.482 -1.909 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -10.982 0.229 -2.953 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.397 1.038 -2.913 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -9.773 -0.241 -1.734 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.651 0.648 -1.164 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.456 0.173 0.066 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.268 1.752 0.178 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.806 3.851 2.292 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.656 4.338 3.127 1.00 0.45 C ATOM 1801 C GLU A 182 -6.754 3.170 3.538 1.00 0.42 C ATOM 1802 O GLU A 182 -7.214 2.097 3.875 1.00 0.43 O ATOM 1803 CB GLU A 182 -8.200 5.042 4.376 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.780 4.009 5.350 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.662 4.713 6.383 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -9.421 5.881 6.642 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -10.565 4.074 6.895 1.00 1.62 O ATOM 0 H GLU A 182 -9.551 3.392 2.816 1.00 0.45 H new ATOM 0 HA GLU A 182 -7.063 5.038 2.539 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -7.403 5.605 4.862 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.970 5.759 4.093 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.364 3.268 4.804 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -7.973 3.474 5.851 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.463 3.388 3.516 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.503 2.317 3.911 1.00 0.38 C ATOM 1816 C TRP A 183 -4.535 2.164 5.436 1.00 0.37 C ATOM 1817 O TRP A 183 -4.179 3.071 6.162 1.00 0.43 O ATOM 1818 CB TRP A 183 -3.076 2.720 3.478 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.783 2.264 2.082 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.635 0.976 1.698 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.574 3.074 0.889 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.343 0.944 0.345 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.297 2.212 -0.198 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.598 4.458 0.649 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -2.048 2.708 -1.479 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.348 4.962 -0.639 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -2.073 4.088 -1.700 1.00 0.41 C ATOM 0 H TRP A 183 -5.032 4.270 3.239 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.780 1.378 3.431 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.967 3.803 3.540 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.349 2.287 4.165 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.729 0.114 2.341 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -2.182 0.088 -0.186 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.810 5.139 1.460 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.838 2.030 -2.293 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.368 6.028 -0.812 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.881 4.481 -2.688 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.944 1.026 5.931 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.979 0.823 7.413 1.00 0.35 C ATOM 1840 C ARG A 184 -3.697 0.110 7.847 1.00 0.31 C ATOM 1841 O ARG A 184 -3.602 -1.100 7.807 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.191 -0.032 7.786 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.257 -0.187 9.308 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.639 -0.701 9.715 1.00 1.51 C ATOM 1845 NE ARG A 184 -8.647 0.380 9.525 1.00 1.57 N ATOM 1846 CZ ARG A 184 -9.922 0.095 9.531 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -10.314 -1.137 9.710 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -10.802 1.043 9.357 1.00 2.61 N ATOM 0 H ARG A 184 -5.255 0.229 5.376 1.00 0.35 H new ATOM 0 HA ARG A 184 -5.054 1.788 7.915 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -7.105 0.433 7.417 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.118 -1.011 7.313 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -5.487 -0.880 9.646 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -6.058 0.770 9.790 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -7.906 -1.571 9.116 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -7.627 -1.023 10.756 1.00 1.51 H new ATOM 0 HE ARG A 184 -8.341 1.344 9.390 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -9.625 -1.877 9.845 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -11.309 -1.360 9.715 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -10.494 2.005 9.217 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -11.798 0.822 9.361 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.712 0.858 8.259 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.426 0.236 8.695 1.00 0.31 C ATOM 1864 C PHE A 185 -1.663 -0.597 9.960 1.00 0.31 C ATOM 1865 O PHE A 185 -2.293 -0.150 10.898 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.417 1.353 8.986 1.00 0.40 C ATOM 1867 CG PHE A 185 0.885 0.778 9.504 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.991 0.362 10.839 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.994 0.677 8.653 1.00 0.62 C ATOM 1870 CE1 PHE A 185 2.200 -0.156 11.317 1.00 0.75 C ATOM 1871 CE2 PHE A 185 3.203 0.163 9.135 1.00 0.74 C ATOM 1872 CZ PHE A 185 3.307 -0.254 10.464 1.00 0.71 C ATOM 0 H PHE A 185 -2.740 1.876 8.314 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.039 -0.416 7.912 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.231 1.927 8.078 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.833 2.043 9.720 1.00 0.40 H new ATOM 0 HD1 PHE A 185 0.139 0.441 11.498 1.00 0.65 H new ATOM 0 HD2 PHE A 185 1.915 0.996 7.624 1.00 0.62 H new ATOM 0 HE1 PHE A 185 2.280 -0.480 12.344 1.00 0.75 H new ATOM 0 HE2 PHE A 185 4.057 0.089 8.478 1.00 0.74 H new ATOM 0 HZ PHE A 185 4.240 -0.652 10.834 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.171 -1.809 9.989 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.374 -2.678 11.181 1.00 0.32 C ATOM 1884 C ASP A 186 -0.240 -3.708 11.266 1.00 0.30 C ATOM 1885 O ASP A 186 -0.454 -4.887 11.076 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.709 -3.399 11.017 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.187 -3.929 12.370 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -3.002 -3.235 13.356 1.00 1.23 O ATOM 1889 OD2 ASP A 186 -3.731 -5.021 12.398 1.00 1.16 O ATOM 0 H ASP A 186 -0.635 -2.234 9.233 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.375 -2.079 12.092 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.451 -2.717 10.601 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.602 -4.223 10.311 1.00 0.37 H new ATOM 1894 N SER A 187 0.960 -3.260 11.543 1.00 0.33 N ATOM 1895 CA SER A 187 2.133 -4.189 11.638 1.00 0.34 C ATOM 1896 C SER A 187 1.776 -5.453 12.433 1.00 0.35 C ATOM 1897 O SER A 187 2.530 -6.405 12.457 1.00 0.37 O ATOM 1898 CB SER A 187 3.285 -3.463 12.338 1.00 0.40 C ATOM 1899 OG SER A 187 2.777 -2.748 13.456 1.00 1.32 O ATOM 0 H SER A 187 1.181 -2.278 11.710 1.00 0.33 H new ATOM 0 HA SER A 187 2.423 -4.488 10.631 1.00 0.34 H new ATOM 0 HB2 SER A 187 4.039 -4.180 12.662 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.774 -2.778 11.645 1.00 0.40 H new ATOM 0 HG SER A 187 3.523 -2.416 13.998 1.00 1.32 H new ATOM 1905 N ARG A 188 0.647 -5.481 13.082 1.00 0.40 N ATOM 1906 CA ARG A 188 0.275 -6.694 13.864 1.00 0.46 C ATOM 1907 C ARG A 188 0.125 -7.886 12.912 1.00 0.42 C ATOM 1908 O ARG A 188 0.331 -9.022 13.286 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.054 -6.443 14.584 1.00 0.58 C ATOM 1910 CG ARG A 188 -0.901 -5.252 15.542 1.00 1.40 C ATOM 1911 CD ARG A 188 0.072 -5.597 16.691 1.00 1.75 C ATOM 1912 NE ARG A 188 -0.472 -5.074 17.985 1.00 2.37 N ATOM 1913 CZ ARG A 188 -0.920 -3.849 18.086 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -0.768 -3.005 17.103 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -1.482 -3.455 19.196 1.00 3.87 N ATOM 0 H ARG A 188 -0.033 -4.721 13.106 1.00 0.40 H new ATOM 0 HA ARG A 188 1.052 -6.911 14.597 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.841 -6.240 13.857 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -1.353 -7.333 15.138 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -0.533 -4.384 14.995 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -1.874 -4.981 15.952 1.00 1.40 H new ATOM 0 HD2 ARG A 188 0.210 -6.677 16.753 1.00 1.75 H new ATOM 0 HD3 ARG A 188 1.052 -5.162 16.494 1.00 1.75 H new ATOM 0 HE ARG A 188 -0.494 -5.684 18.802 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -0.297 -3.298 16.247 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -1.120 -2.052 17.190 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -1.570 -4.101 19.980 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -1.833 -2.501 19.279 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.223 -7.631 11.681 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.378 -8.738 10.698 1.00 0.46 C ATOM 1931 C LEU A 189 0.969 -9.451 10.544 1.00 0.41 C ATOM 1932 O LEU A 189 1.096 -10.418 9.819 1.00 0.46 O ATOM 1933 CB LEU A 189 -0.836 -8.150 9.344 1.00 0.57 C ATOM 1934 CG LEU A 189 -1.876 -9.063 8.679 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -2.353 -8.425 7.374 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -1.243 -10.424 8.379 1.00 1.78 C ATOM 0 H LEU A 189 -0.407 -6.698 11.313 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.125 -9.454 11.042 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -1.261 -7.158 9.498 1.00 0.57 H new ATOM 0 HB3 LEU A 189 0.024 -8.030 8.685 1.00 0.57 H new ATOM 0 HG LEU A 189 -2.724 -9.197 9.350 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -3.091 -9.072 6.901 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.804 -7.455 7.586 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -1.505 -8.292 6.703 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -1.981 -11.072 7.907 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -0.395 -10.291 7.708 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -0.902 -10.879 9.309 1.00 1.78 H new ATOM 1948 N ALA A 190 1.974 -8.976 11.220 1.00 0.37 N ATOM 1949 CA ALA A 190 3.310 -9.615 11.116 1.00 0.42 C ATOM 1950 C ALA A 190 3.304 -10.923 11.903 1.00 0.44 C ATOM 1951 O ALA A 190 4.339 -11.522 12.125 1.00 0.53 O ATOM 1952 CB ALA A 190 4.370 -8.676 11.699 1.00 0.47 C ATOM 0 H ALA A 190 1.927 -8.169 11.842 1.00 0.37 H new ATOM 0 HA ALA A 190 3.539 -9.817 10.070 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.352 -9.144 11.623 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.371 -7.738 11.143 1.00 0.47 H new ATOM 0 HB3 ALA A 190 4.143 -8.476 12.746 1.00 0.47 H new ATOM 1958 N PHE A 191 2.147 -11.366 12.347 1.00 0.42 N ATOM 1959 CA PHE A 191 2.086 -12.641 13.145 1.00 0.51 C ATOM 1960 C PHE A 191 0.921 -13.534 12.697 1.00 0.56 C ATOM 1961 O PHE A 191 0.645 -14.542 13.317 1.00 0.96 O ATOM 1962 CB PHE A 191 1.910 -12.298 14.625 1.00 0.58 C ATOM 1963 CG PHE A 191 2.959 -11.290 15.040 1.00 1.14 C ATOM 1964 CD1 PHE A 191 4.301 -11.679 15.138 1.00 1.81 C ATOM 1965 CD2 PHE A 191 2.590 -9.969 15.323 1.00 1.98 C ATOM 1966 CE1 PHE A 191 5.273 -10.747 15.520 1.00 2.75 C ATOM 1967 CE2 PHE A 191 3.563 -9.037 15.705 1.00 2.87 C ATOM 1968 CZ PHE A 191 4.904 -9.427 15.804 1.00 3.15 C ATOM 0 H PHE A 191 1.250 -10.906 12.194 1.00 0.42 H new ATOM 0 HA PHE A 191 3.016 -13.187 12.983 1.00 0.51 H new ATOM 0 HB2 PHE A 191 0.913 -11.893 14.799 1.00 0.58 H new ATOM 0 HB3 PHE A 191 1.998 -13.200 15.231 1.00 0.58 H new ATOM 0 HD1 PHE A 191 4.586 -12.698 14.919 1.00 1.81 H new ATOM 0 HD2 PHE A 191 1.555 -9.669 15.247 1.00 1.98 H new ATOM 0 HE1 PHE A 191 6.308 -11.046 15.596 1.00 2.75 H new ATOM 0 HE2 PHE A 191 3.279 -8.018 15.923 1.00 2.87 H new ATOM 0 HZ PHE A 191 5.654 -8.709 16.100 1.00 3.15 H new ATOM 1978 N HIS A 192 0.237 -13.204 11.635 1.00 0.64 N ATOM 1979 CA HIS A 192 -0.891 -14.085 11.189 1.00 0.72 C ATOM 1980 C HIS A 192 -1.142 -13.897 9.688 1.00 0.67 C ATOM 1981 O HIS A 192 -0.417 -13.202 9.005 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.171 -13.767 11.996 1.00 1.01 C ATOM 1983 CG HIS A 192 -2.120 -12.362 12.527 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -1.394 -12.028 13.660 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -2.722 -11.200 12.112 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -1.578 -10.715 13.887 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -2.379 -10.161 12.973 1.00 3.35 N ATOM 0 H HIS A 192 0.403 -12.377 11.062 1.00 0.64 H new ATOM 0 HA HIS A 192 -0.620 -15.125 11.370 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -3.049 -13.891 11.362 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -2.272 -14.471 12.822 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -3.364 -11.106 11.249 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -1.132 -10.174 14.709 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -2.676 -9.187 12.918 1.00 3.35 H new ATOM 1995 N HIS A 193 -2.166 -14.529 9.174 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.475 -14.412 7.719 1.00 0.85 C ATOM 1997 C HIS A 193 -3.962 -14.687 7.483 1.00 0.74 C ATOM 1998 O HIS A 193 -4.378 -15.816 7.313 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.640 -15.433 6.943 1.00 1.28 C ATOM 2000 CG HIS A 193 -1.772 -16.796 7.573 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -1.027 -17.881 7.137 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -2.553 -17.270 8.600 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -1.372 -18.940 7.890 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -2.298 -18.624 8.797 1.00 3.87 N ATOM 0 H HIS A 193 -2.804 -15.124 9.703 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.237 -13.405 7.377 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -1.970 -15.470 5.905 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -0.594 -15.128 6.934 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -3.258 -16.681 9.168 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -0.950 -19.928 7.775 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -2.727 -19.242 9.486 1.00 3.87 H new ATOM 2012 N MET A 194 -4.769 -13.662 7.473 1.00 0.73 N ATOM 2013 CA MET A 194 -6.230 -13.865 7.254 1.00 0.79 C ATOM 2014 C MET A 194 -6.496 -14.238 5.792 1.00 0.75 C ATOM 2015 O MET A 194 -7.157 -15.215 5.504 1.00 0.90 O ATOM 2016 CB MET A 194 -6.975 -12.574 7.594 1.00 0.91 C ATOM 2017 CG MET A 194 -6.749 -12.227 9.067 1.00 1.47 C ATOM 2018 SD MET A 194 -7.547 -13.475 10.110 1.00 2.35 S ATOM 2019 CE MET A 194 -6.927 -12.875 11.701 1.00 2.94 C ATOM 0 H MET A 194 -4.481 -12.693 7.607 1.00 0.73 H new ATOM 0 HA MET A 194 -6.580 -14.674 7.896 1.00 0.79 H new ATOM 0 HB2 MET A 194 -6.623 -11.761 6.960 1.00 0.91 H new ATOM 0 HB3 MET A 194 -8.040 -12.694 7.397 1.00 0.91 H new ATOM 0 HG2 MET A 194 -5.681 -12.186 9.282 1.00 1.47 H new ATOM 0 HG3 MET A 194 -7.156 -11.240 9.286 1.00 1.47 H new ATOM 0 HE1 MET A 194 -7.304 -13.511 12.502 1.00 2.94 H new ATOM 0 HE2 MET A 194 -5.837 -12.900 11.700 1.00 2.94 H new ATOM 0 HE3 MET A 194 -7.266 -11.852 11.861 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.994 -13.465 4.867 1.00 0.66 N ATOM 2030 CA ALA A 195 -6.230 -13.774 3.425 1.00 0.76 C ATOM 2031 C ALA A 195 -5.938 -15.252 3.156 1.00 0.90 C ATOM 2032 O ALA A 195 -6.596 -15.892 2.355 1.00 1.11 O ATOM 2033 CB ALA A 195 -5.307 -12.910 2.564 1.00 0.82 C ATOM 0 H ALA A 195 -5.431 -12.633 5.046 1.00 0.66 H new ATOM 0 HA ALA A 195 -7.270 -13.562 3.177 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -5.477 -13.134 1.511 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -5.517 -11.857 2.750 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -4.268 -13.123 2.817 1.00 0.82 H new