USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=17 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 125 GLN : amide:sc= -5.29! C(o=-7.2!,f=-15!) USER MOD Set 1.2: A 126 ASN : amide:sc= -1.9 X(o=-7.2,f=-7) USER MOD Set 2.1: A 88 SER OG : rot -98:sc= -0.966! USER MOD Set 2.2: A 89 HIS : no HE2:sc= -1.95! C(o=-2.9!,f=-15!) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -170:sc= -0.836! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -147:sc= 1.23 (180deg=-0.0493) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -2.09! C(o=-2.1!,f=-4.5!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.0133 K(o=-0.013,f=-0.56) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -1.93 X(o=-1.9,f=-1.6) USER MOD Single : A 117 THR OG1 : rot -80:sc= 1.17 USER MOD Single : A 118 GLN : amide:sc= -2.53 K(o=-2.5,f=-4!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= -0.0115 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -138:sc= 0.789 USER MOD Single : A 142 CYS SG : rot 44:sc= -0.828 USER MOD Single : A 143 TYR OH : rot 180:sc= -0.238 USER MOD Single : A 144 LYS NZ :NH3+ 161:sc= -0.0886 (180deg=-0.573) USER MOD Single : A 187 SER OG : rot -79:sc= 1.88 USER MOD Single : A 192 HIS : no HD1:sc= -3.46! C(o=-3.5!,f=-1.2!) USER MOD Single : A 193 HIS : no HD1:sc= -1.1! C(o=-1.1!,f=-4.5!) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 19.473 -0.920 -9.384 1.00 1.04 N ATOM 275 CA VAL A 74 20.054 -1.279 -8.049 1.00 0.93 C ATOM 276 C VAL A 74 20.091 -2.813 -7.921 1.00 0.86 C ATOM 277 O VAL A 74 19.231 -3.490 -8.447 1.00 0.89 O ATOM 278 CB VAL A 74 19.186 -0.697 -6.932 1.00 1.09 C ATOM 279 CG1 VAL A 74 19.221 0.831 -7.000 1.00 1.17 C ATOM 280 CG2 VAL A 74 17.746 -1.182 -7.099 1.00 1.38 C ATOM 0 HA VAL A 74 21.062 -0.872 -7.966 1.00 0.93 H new ATOM 0 HB VAL A 74 19.570 -1.026 -5.966 1.00 1.09 H new ATOM 0 HG11 VAL A 74 18.602 1.245 -6.204 1.00 1.17 H new ATOM 0 HG12 VAL A 74 20.247 1.177 -6.879 1.00 1.17 H new ATOM 0 HG13 VAL A 74 18.838 1.161 -7.966 1.00 1.17 H new ATOM 0 HG21 VAL A 74 17.128 -0.767 -6.303 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.362 -0.855 -8.065 1.00 1.38 H new ATOM 0 HG23 VAL A 74 17.721 -2.271 -7.048 1.00 1.38 H new ATOM 290 N PRO A 75 21.059 -3.369 -7.225 1.00 0.93 N ATOM 291 CA PRO A 75 21.151 -4.847 -7.042 1.00 1.00 C ATOM 292 C PRO A 75 19.772 -5.481 -6.810 1.00 0.88 C ATOM 293 O PRO A 75 19.149 -5.265 -5.788 1.00 0.84 O ATOM 294 CB PRO A 75 22.030 -4.990 -5.796 1.00 1.18 C ATOM 295 CG PRO A 75 22.938 -3.798 -5.826 1.00 1.37 C ATOM 296 CD PRO A 75 22.167 -2.673 -6.538 1.00 1.13 C ATOM 0 HA PRO A 75 21.553 -5.352 -7.920 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.428 -5.005 -4.887 1.00 1.18 H new ATOM 0 HB3 PRO A 75 22.598 -5.920 -5.818 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.216 -3.498 -4.816 1.00 1.37 H new ATOM 0 HG3 PRO A 75 23.862 -4.029 -6.355 1.00 1.37 H new ATOM 0 HD2 PRO A 75 21.794 -1.935 -5.828 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.803 -2.141 -7.246 1.00 1.13 H new ATOM 304 N LEU A 76 19.282 -6.250 -7.745 1.00 0.86 N ATOM 305 CA LEU A 76 17.940 -6.872 -7.552 1.00 0.77 C ATOM 306 C LEU A 76 17.988 -7.842 -6.367 1.00 0.77 C ATOM 307 O LEU A 76 18.363 -8.989 -6.506 1.00 0.85 O ATOM 308 CB LEU A 76 17.535 -7.636 -8.824 1.00 0.84 C ATOM 309 CG LEU A 76 16.954 -6.672 -9.871 1.00 0.87 C ATOM 310 CD1 LEU A 76 16.856 -7.401 -11.215 1.00 1.01 C ATOM 311 CD2 LEU A 76 15.552 -6.182 -9.444 1.00 0.76 C ATOM 0 H LEU A 76 19.747 -6.473 -8.625 1.00 0.86 H new ATOM 0 HA LEU A 76 17.208 -6.090 -7.351 1.00 0.77 H new ATOM 0 HB2 LEU A 76 18.402 -8.151 -9.237 1.00 0.84 H new ATOM 0 HB3 LEU A 76 16.798 -8.400 -8.577 1.00 0.84 H new ATOM 0 HG LEU A 76 17.609 -5.805 -9.959 1.00 0.87 H new ATOM 0 HD11 LEU A 76 16.445 -6.726 -11.966 1.00 1.01 H new ATOM 0 HD12 LEU A 76 17.849 -7.727 -11.525 1.00 1.01 H new ATOM 0 HD13 LEU A 76 16.205 -8.269 -11.112 1.00 1.01 H new ATOM 0 HD21 LEU A 76 15.159 -5.501 -10.199 1.00 0.76 H new ATOM 0 HD22 LEU A 76 14.883 -7.037 -9.343 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.624 -5.662 -8.489 1.00 0.76 H new ATOM 323 N ARG A 77 17.588 -7.395 -5.206 1.00 0.74 N ATOM 324 CA ARG A 77 17.584 -8.293 -4.015 1.00 0.79 C ATOM 325 C ARG A 77 16.229 -9.013 -3.949 1.00 0.71 C ATOM 326 O ARG A 77 15.232 -8.489 -4.404 1.00 0.73 O ATOM 327 CB ARG A 77 17.792 -7.452 -2.754 1.00 0.85 C ATOM 328 CG ARG A 77 19.250 -6.987 -2.693 1.00 1.19 C ATOM 329 CD ARG A 77 19.476 -6.166 -1.424 1.00 1.52 C ATOM 330 NE ARG A 77 18.761 -4.864 -1.541 1.00 2.13 N ATOM 331 CZ ARG A 77 18.581 -4.122 -0.483 1.00 2.66 C ATOM 332 NH1 ARG A 77 19.037 -4.515 0.676 1.00 2.73 N ATOM 333 NH2 ARG A 77 17.949 -2.987 -0.582 1.00 3.61 N ATOM 0 H ARG A 77 17.263 -6.444 -5.031 1.00 0.74 H new ATOM 0 HA ARG A 77 18.385 -9.029 -4.089 1.00 0.79 H new ATOM 0 HB2 ARG A 77 17.123 -6.591 -2.762 1.00 0.85 H new ATOM 0 HB3 ARG A 77 17.547 -8.037 -1.868 1.00 0.85 H new ATOM 0 HG2 ARG A 77 19.917 -7.849 -2.704 1.00 1.19 H new ATOM 0 HG3 ARG A 77 19.488 -6.388 -3.572 1.00 1.19 H new ATOM 0 HD2 ARG A 77 19.115 -6.715 -0.554 1.00 1.52 H new ATOM 0 HD3 ARG A 77 20.542 -5.995 -1.273 1.00 1.52 H new ATOM 0 HE ARG A 77 18.412 -4.553 -2.448 1.00 2.13 H new ATOM 0 HH11 ARG A 77 19.534 -5.402 0.754 1.00 2.73 H new ATOM 0 HH12 ARG A 77 18.896 -3.935 1.503 1.00 2.73 H new ATOM 0 HH21 ARG A 77 17.594 -2.678 -1.487 1.00 3.61 H new ATOM 0 HH22 ARG A 77 17.809 -2.408 0.246 1.00 3.61 H new ATOM 347 N PRO A 78 16.173 -10.196 -3.387 1.00 0.79 N ATOM 348 CA PRO A 78 14.893 -10.958 -3.276 1.00 0.76 C ATOM 349 C PRO A 78 13.972 -10.374 -2.194 1.00 0.67 C ATOM 350 O PRO A 78 14.392 -10.114 -1.083 1.00 0.69 O ATOM 351 CB PRO A 78 15.354 -12.373 -2.903 1.00 0.86 C ATOM 352 CG PRO A 78 16.638 -12.170 -2.166 1.00 1.18 C ATOM 353 CD PRO A 78 17.305 -10.946 -2.803 1.00 1.06 C ATOM 0 HA PRO A 78 14.306 -10.924 -4.194 1.00 0.76 H new ATOM 0 HB2 PRO A 78 14.616 -12.879 -2.281 1.00 0.86 H new ATOM 0 HB3 PRO A 78 15.499 -12.989 -3.790 1.00 0.86 H new ATOM 0 HG2 PRO A 78 16.456 -12.006 -1.104 1.00 1.18 H new ATOM 0 HG3 PRO A 78 17.277 -13.049 -2.248 1.00 1.18 H new ATOM 0 HD2 PRO A 78 17.841 -10.351 -2.063 1.00 1.06 H new ATOM 0 HD3 PRO A 78 18.029 -11.235 -3.564 1.00 1.06 H new ATOM 361 N MET A 79 12.720 -10.166 -2.509 1.00 0.65 N ATOM 362 CA MET A 79 11.783 -9.602 -1.496 1.00 0.61 C ATOM 363 C MET A 79 11.622 -10.609 -0.358 1.00 0.51 C ATOM 364 O MET A 79 10.954 -11.615 -0.494 1.00 0.56 O ATOM 365 CB MET A 79 10.424 -9.326 -2.146 1.00 0.66 C ATOM 366 CG MET A 79 9.562 -8.500 -1.191 1.00 0.74 C ATOM 367 SD MET A 79 10.179 -6.799 -1.140 1.00 1.25 S ATOM 368 CE MET A 79 8.833 -6.099 -0.153 1.00 0.83 C ATOM 0 H MET A 79 12.308 -10.362 -3.421 1.00 0.65 H new ATOM 0 HA MET A 79 12.181 -8.666 -1.104 1.00 0.61 H new ATOM 0 HB2 MET A 79 10.560 -8.791 -3.086 1.00 0.66 H new ATOM 0 HB3 MET A 79 9.925 -10.265 -2.384 1.00 0.66 H new ATOM 0 HG2 MET A 79 8.523 -8.512 -1.520 1.00 0.74 H new ATOM 0 HG3 MET A 79 9.585 -8.937 -0.193 1.00 0.74 H new ATOM 0 HE1 MET A 79 9.012 -5.035 0.004 1.00 0.83 H new ATOM 0 HE2 MET A 79 7.888 -6.234 -0.679 1.00 0.83 H new ATOM 0 HE3 MET A 79 8.788 -6.605 0.811 1.00 0.83 H new ATOM 378 N THR A 80 12.247 -10.356 0.763 1.00 0.56 N ATOM 379 CA THR A 80 12.154 -11.305 1.911 1.00 0.60 C ATOM 380 C THR A 80 10.942 -10.988 2.770 1.00 0.56 C ATOM 381 O THR A 80 10.550 -9.851 2.909 1.00 0.50 O ATOM 382 CB THR A 80 13.420 -11.194 2.768 1.00 0.77 C ATOM 383 OG1 THR A 80 13.310 -10.072 3.630 1.00 0.94 O ATOM 384 CG2 THR A 80 14.640 -11.022 1.863 1.00 0.73 C ATOM 0 H THR A 80 12.820 -9.529 0.933 1.00 0.56 H new ATOM 0 HA THR A 80 12.054 -12.317 1.519 1.00 0.60 H new ATOM 0 HB THR A 80 13.535 -12.101 3.362 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.174 -9.906 4.062 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.539 -10.943 2.475 1.00 0.73 H new ATOM 0 HG22 THR A 80 14.726 -11.883 1.201 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.526 -10.116 1.267 1.00 0.73 H new ATOM 392 N TYR A 81 10.358 -11.987 3.387 1.00 0.61 N ATOM 393 CA TYR A 81 9.201 -11.712 4.279 1.00 0.60 C ATOM 394 C TYR A 81 9.687 -10.641 5.251 1.00 0.51 C ATOM 395 O TYR A 81 9.019 -9.664 5.523 1.00 0.45 O ATOM 396 CB TYR A 81 8.798 -13.015 5.012 1.00 0.69 C ATOM 397 CG TYR A 81 8.361 -12.732 6.438 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.116 -12.143 6.685 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.208 -13.056 7.505 1.00 0.71 C ATOM 400 CE1 TYR A 81 6.718 -11.879 8.001 1.00 0.66 C ATOM 401 CE2 TYR A 81 8.809 -12.794 8.820 1.00 0.77 C ATOM 402 CZ TYR A 81 7.564 -12.205 9.069 1.00 0.73 C ATOM 403 OH TYR A 81 7.170 -11.942 10.365 1.00 0.90 O ATOM 0 H TYR A 81 10.632 -12.967 3.310 1.00 0.61 H new ATOM 0 HA TYR A 81 8.318 -11.369 3.740 1.00 0.60 H new ATOM 0 HB2 TYR A 81 7.988 -13.504 4.471 1.00 0.69 H new ATOM 0 HB3 TYR A 81 9.640 -13.707 5.018 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.463 -11.892 5.862 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.170 -13.508 7.313 1.00 0.71 H new ATOM 0 HE1 TYR A 81 5.758 -11.424 8.193 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.461 -13.046 9.643 1.00 0.77 H new ATOM 0 HH TYR A 81 7.872 -12.230 10.985 1.00 0.90 H new ATOM 413 N LYS A 82 10.891 -10.807 5.725 1.00 0.52 N ATOM 414 CA LYS A 82 11.479 -9.793 6.622 1.00 0.48 C ATOM 415 C LYS A 82 11.511 -8.469 5.862 1.00 0.40 C ATOM 416 O LYS A 82 11.400 -7.408 6.443 1.00 0.38 O ATOM 417 CB LYS A 82 12.905 -10.202 7.003 1.00 0.55 C ATOM 418 CG LYS A 82 13.436 -9.253 8.082 1.00 0.60 C ATOM 419 CD LYS A 82 14.835 -9.697 8.514 1.00 0.92 C ATOM 420 CE LYS A 82 15.504 -8.575 9.314 1.00 1.49 C ATOM 421 NZ LYS A 82 15.926 -7.487 8.387 1.00 2.32 N ATOM 0 H LYS A 82 11.490 -11.608 5.524 1.00 0.52 H new ATOM 0 HA LYS A 82 10.890 -9.700 7.534 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.915 -11.229 7.369 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.551 -10.170 6.126 1.00 0.55 H new ATOM 0 HG2 LYS A 82 13.469 -8.233 7.699 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.764 -9.249 8.940 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.770 -10.601 9.120 1.00 0.92 H new ATOM 0 HD3 LYS A 82 15.437 -9.942 7.639 1.00 0.92 H new ATOM 0 HE2 LYS A 82 14.812 -8.184 10.060 1.00 1.49 H new ATOM 0 HE3 LYS A 82 16.368 -8.964 9.853 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 16.797 -7.045 8.744 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 16.102 -7.885 7.442 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 15.174 -6.771 8.327 1.00 2.32 H new ATOM 435 N ALA A 83 11.656 -8.517 4.554 1.00 0.42 N ATOM 436 CA ALA A 83 11.683 -7.238 3.782 1.00 0.41 C ATOM 437 C ALA A 83 10.313 -6.555 3.881 1.00 0.35 C ATOM 438 O ALA A 83 10.215 -5.348 3.982 1.00 0.34 O ATOM 439 CB ALA A 83 12.016 -7.515 2.311 1.00 0.52 C ATOM 0 H ALA A 83 11.754 -9.369 4.002 1.00 0.42 H new ATOM 0 HA ALA A 83 12.449 -6.585 4.199 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.033 -6.575 1.759 1.00 0.52 H new ATOM 0 HB2 ALA A 83 12.993 -7.993 2.243 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.259 -8.173 1.884 1.00 0.52 H new ATOM 445 N ALA A 84 9.254 -7.320 3.849 1.00 0.34 N ATOM 446 CA ALA A 84 7.889 -6.722 3.938 1.00 0.31 C ATOM 447 C ALA A 84 7.690 -6.054 5.303 1.00 0.28 C ATOM 448 O ALA A 84 7.293 -4.909 5.391 1.00 0.28 O ATOM 449 CB ALA A 84 6.841 -7.822 3.757 1.00 0.34 C ATOM 0 H ALA A 84 9.275 -8.336 3.765 1.00 0.34 H new ATOM 0 HA ALA A 84 7.780 -5.971 3.155 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.843 -7.388 3.822 1.00 0.34 H new ATOM 0 HB2 ALA A 84 6.970 -8.291 2.782 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.962 -8.572 4.539 1.00 0.34 H new ATOM 455 N VAL A 85 7.944 -6.763 6.369 1.00 0.29 N ATOM 456 CA VAL A 85 7.748 -6.168 7.724 1.00 0.29 C ATOM 457 C VAL A 85 8.715 -5.000 7.921 1.00 0.29 C ATOM 458 O VAL A 85 8.329 -3.932 8.357 1.00 0.30 O ATOM 459 CB VAL A 85 8.002 -7.241 8.795 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.319 -6.838 10.109 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.449 -8.587 8.312 1.00 0.38 C ATOM 0 H VAL A 85 8.278 -7.727 6.362 1.00 0.29 H new ATOM 0 HA VAL A 85 6.725 -5.802 7.814 1.00 0.29 H new ATOM 0 HB VAL A 85 9.074 -7.332 8.967 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.503 -7.602 10.864 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.723 -5.885 10.452 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.246 -6.740 9.946 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.629 -9.348 9.071 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.377 -8.498 8.135 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.947 -8.874 7.386 1.00 0.38 H new ATOM 471 N ASP A 86 9.964 -5.185 7.602 1.00 0.30 N ATOM 472 CA ASP A 86 10.936 -4.074 7.773 1.00 0.32 C ATOM 473 C ASP A 86 10.458 -2.892 6.933 1.00 0.30 C ATOM 474 O ASP A 86 10.439 -1.763 7.378 1.00 0.31 O ATOM 475 CB ASP A 86 12.318 -4.529 7.291 1.00 0.36 C ATOM 476 CG ASP A 86 12.977 -5.395 8.367 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.254 -6.064 9.085 1.00 1.05 O ATOM 478 OD2 ASP A 86 14.194 -5.373 8.455 1.00 1.23 O ATOM 0 H ASP A 86 10.352 -6.053 7.232 1.00 0.30 H new ATOM 0 HA ASP A 86 11.006 -3.785 8.822 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.223 -5.093 6.363 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.942 -3.662 7.074 1.00 0.36 H new ATOM 483 N LEU A 87 10.054 -3.154 5.724 1.00 0.29 N ATOM 484 CA LEU A 87 9.554 -2.060 4.847 1.00 0.30 C ATOM 485 C LEU A 87 8.323 -1.423 5.492 1.00 0.29 C ATOM 486 O LEU A 87 8.146 -0.222 5.463 1.00 0.30 O ATOM 487 CB LEU A 87 9.176 -2.650 3.482 1.00 0.33 C ATOM 488 CG LEU A 87 8.607 -1.561 2.556 1.00 0.42 C ATOM 489 CD1 LEU A 87 9.652 -0.454 2.337 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.230 -2.195 1.207 1.00 0.44 C ATOM 0 H LEU A 87 10.048 -4.083 5.303 1.00 0.29 H new ATOM 0 HA LEU A 87 10.326 -1.302 4.716 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.053 -3.104 3.021 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.440 -3.443 3.614 1.00 0.33 H new ATOM 0 HG LEU A 87 7.722 -1.120 3.016 1.00 0.42 H new ATOM 0 HD11 LEU A 87 9.239 0.312 1.680 1.00 0.52 H new ATOM 0 HD12 LEU A 87 9.914 -0.007 3.296 1.00 0.52 H new ATOM 0 HD13 LEU A 87 10.544 -0.881 1.880 1.00 0.52 H new ATOM 0 HD21 LEU A 87 7.826 -1.429 0.545 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.117 -2.637 0.752 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.480 -2.970 1.366 1.00 0.44 H new ATOM 502 N SER A 88 7.464 -2.220 6.063 1.00 0.30 N ATOM 503 CA SER A 88 6.239 -1.659 6.696 1.00 0.34 C ATOM 504 C SER A 88 6.617 -0.495 7.616 1.00 0.33 C ATOM 505 O SER A 88 6.144 0.615 7.459 1.00 0.36 O ATOM 506 CB SER A 88 5.545 -2.748 7.511 1.00 0.40 C ATOM 507 OG SER A 88 6.220 -2.914 8.751 1.00 0.44 O ATOM 0 H SER A 88 7.557 -3.234 6.119 1.00 0.30 H new ATOM 0 HA SER A 88 5.565 -1.298 5.919 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.503 -2.479 7.685 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.543 -3.687 6.957 1.00 0.40 H new ATOM 0 HG SER A 88 6.838 -3.672 8.688 1.00 0.44 H new ATOM 513 N HIS A 89 7.462 -0.738 8.579 1.00 0.34 N ATOM 514 CA HIS A 89 7.855 0.356 9.509 1.00 0.36 C ATOM 515 C HIS A 89 8.746 1.364 8.785 1.00 0.36 C ATOM 516 O HIS A 89 8.751 2.535 9.107 1.00 0.41 O ATOM 517 CB HIS A 89 8.628 -0.223 10.697 1.00 0.41 C ATOM 518 CG HIS A 89 7.767 -1.204 11.442 1.00 0.52 C ATOM 519 ND1 HIS A 89 7.291 -2.364 10.856 1.00 1.43 N ATOM 520 CD2 HIS A 89 7.301 -1.215 12.733 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.572 -3.022 11.785 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.547 -2.364 12.948 1.00 0.82 N ATOM 0 H HIS A 89 7.896 -1.643 8.762 1.00 0.34 H new ATOM 0 HA HIS A 89 6.952 0.853 9.863 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.535 -0.716 10.346 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.940 0.580 11.365 1.00 0.41 H new ATOM 0 HD1 HIS A 89 7.455 -2.665 9.895 1.00 1.43 H new ATOM 0 HD2 HIS A 89 7.491 -0.448 13.470 1.00 1.01 H new ATOM 0 HE1 HIS A 89 6.076 -3.966 11.612 1.00 1.27 H new ATOM 530 N PHE A 90 9.503 0.937 7.815 1.00 0.34 N ATOM 531 CA PHE A 90 10.376 1.905 7.104 1.00 0.37 C ATOM 532 C PHE A 90 9.498 3.005 6.503 1.00 0.40 C ATOM 533 O PHE A 90 9.723 4.178 6.719 1.00 0.47 O ATOM 534 CB PHE A 90 11.155 1.181 5.998 1.00 0.38 C ATOM 535 CG PHE A 90 12.390 1.976 5.635 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.585 1.769 6.337 1.00 0.57 C ATOM 537 CD2 PHE A 90 12.340 2.919 4.603 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.727 2.507 6.005 1.00 0.69 C ATOM 539 CE2 PHE A 90 13.483 3.656 4.272 1.00 0.70 C ATOM 540 CZ PHE A 90 14.676 3.450 4.973 1.00 0.72 C ATOM 0 H PHE A 90 9.554 -0.028 7.488 1.00 0.34 H new ATOM 0 HA PHE A 90 11.091 2.348 7.798 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.439 0.184 6.334 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.523 1.053 5.119 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.625 1.041 7.133 1.00 0.57 H new ATOM 0 HD2 PHE A 90 11.419 3.078 4.062 1.00 0.59 H new ATOM 0 HE1 PHE A 90 15.648 2.348 6.546 1.00 0.69 H new ATOM 0 HE2 PHE A 90 13.444 4.384 3.475 1.00 0.70 H new ATOM 0 HZ PHE A 90 15.558 4.019 4.717 1.00 0.72 H new ATOM 550 N LEU A 91 8.495 2.633 5.754 1.00 0.37 N ATOM 551 CA LEU A 91 7.602 3.659 5.147 1.00 0.42 C ATOM 552 C LEU A 91 6.893 4.448 6.261 1.00 0.47 C ATOM 553 O LEU A 91 6.450 5.560 6.050 1.00 0.57 O ATOM 554 CB LEU A 91 6.568 2.963 4.231 1.00 0.41 C ATOM 555 CG LEU A 91 7.087 2.918 2.776 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.373 1.812 1.996 1.00 0.42 C ATOM 557 CD2 LEU A 91 6.827 4.260 2.075 1.00 0.54 C ATOM 0 H LEU A 91 8.257 1.665 5.537 1.00 0.37 H new ATOM 0 HA LEU A 91 8.190 4.354 4.548 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.378 1.951 4.588 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.619 3.498 4.270 1.00 0.41 H new ATOM 0 HG LEU A 91 8.158 2.720 2.803 1.00 0.41 H new ATOM 0 HD11 LEU A 91 6.747 1.789 0.972 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.562 0.850 2.473 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.301 2.007 1.987 1.00 0.42 H new ATOM 0 HD21 LEU A 91 7.198 4.213 1.051 1.00 0.54 H new ATOM 0 HD22 LEU A 91 5.756 4.463 2.064 1.00 0.54 H new ATOM 0 HD23 LEU A 91 7.342 5.057 2.612 1.00 0.54 H new ATOM 569 N LYS A 92 6.777 3.894 7.442 1.00 0.45 N ATOM 570 CA LYS A 92 6.092 4.642 8.537 1.00 0.53 C ATOM 571 C LYS A 92 6.872 5.926 8.848 1.00 0.63 C ATOM 572 O LYS A 92 6.311 7.003 8.917 1.00 0.85 O ATOM 573 CB LYS A 92 6.026 3.778 9.808 1.00 0.54 C ATOM 574 CG LYS A 92 5.108 4.451 10.858 1.00 0.73 C ATOM 575 CD LYS A 92 5.586 4.128 12.282 1.00 1.20 C ATOM 576 CE LYS A 92 5.408 2.635 12.557 1.00 1.61 C ATOM 577 NZ LYS A 92 5.921 2.317 13.921 1.00 2.27 N ATOM 0 H LYS A 92 7.123 2.968 7.692 1.00 0.45 H new ATOM 0 HA LYS A 92 5.081 4.889 8.214 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.647 2.786 9.564 1.00 0.54 H new ATOM 0 HB3 LYS A 92 7.026 3.645 10.220 1.00 0.54 H new ATOM 0 HG2 LYS A 92 5.104 5.530 10.706 1.00 0.73 H new ATOM 0 HG3 LYS A 92 4.082 4.106 10.726 1.00 0.73 H new ATOM 0 HD2 LYS A 92 6.634 4.407 12.397 1.00 1.20 H new ATOM 0 HD3 LYS A 92 5.020 4.712 13.008 1.00 1.20 H new ATOM 0 HE2 LYS A 92 4.355 2.363 12.480 1.00 1.61 H new ATOM 0 HE3 LYS A 92 5.944 2.050 11.810 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 5.800 1.301 14.109 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 6.930 2.562 13.978 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 5.391 2.865 14.628 1.00 2.27 H new ATOM 591 N GLU A 93 8.155 5.818 9.055 1.00 0.62 N ATOM 592 CA GLU A 93 8.969 7.026 9.381 1.00 0.76 C ATOM 593 C GLU A 93 9.078 7.944 8.151 1.00 0.77 C ATOM 594 O GLU A 93 9.228 9.145 8.277 1.00 1.05 O ATOM 595 CB GLU A 93 10.377 6.566 9.840 1.00 0.94 C ATOM 596 CG GLU A 93 10.735 7.197 11.192 1.00 1.22 C ATOM 597 CD GLU A 93 12.194 6.886 11.534 1.00 2.00 C ATOM 598 OE1 GLU A 93 12.463 5.766 11.935 1.00 2.54 O ATOM 599 OE2 GLU A 93 13.018 7.774 11.389 1.00 2.73 O ATOM 0 H GLU A 93 8.678 4.943 9.013 1.00 0.62 H new ATOM 0 HA GLU A 93 8.489 7.590 10.181 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.402 5.479 9.921 1.00 0.94 H new ATOM 0 HB3 GLU A 93 11.119 6.847 9.093 1.00 0.94 H new ATOM 0 HG2 GLU A 93 10.582 8.276 11.153 1.00 1.22 H new ATOM 0 HG3 GLU A 93 10.078 6.810 11.971 1.00 1.22 H new ATOM 606 N LYS A 94 9.018 7.394 6.968 1.00 0.80 N ATOM 607 CA LYS A 94 9.134 8.243 5.744 1.00 1.02 C ATOM 608 C LYS A 94 7.809 8.982 5.501 1.00 0.96 C ATOM 609 O LYS A 94 7.499 9.359 4.387 1.00 1.41 O ATOM 610 CB LYS A 94 9.491 7.340 4.531 1.00 1.39 C ATOM 611 CG LYS A 94 10.857 7.729 3.938 1.00 1.63 C ATOM 612 CD LYS A 94 10.716 9.022 3.128 1.00 2.18 C ATOM 613 CE LYS A 94 12.067 9.402 2.508 1.00 2.61 C ATOM 614 NZ LYS A 94 12.895 10.121 3.518 1.00 2.96 N ATOM 0 H LYS A 94 8.894 6.396 6.795 1.00 0.80 H new ATOM 0 HA LYS A 94 9.922 8.984 5.877 1.00 1.02 H new ATOM 0 HB2 LYS A 94 9.510 6.296 4.843 1.00 1.39 H new ATOM 0 HB3 LYS A 94 8.719 7.430 3.766 1.00 1.39 H new ATOM 0 HG2 LYS A 94 11.586 7.866 4.737 1.00 1.63 H new ATOM 0 HG3 LYS A 94 11.230 6.927 3.300 1.00 1.63 H new ATOM 0 HD2 LYS A 94 9.971 8.890 2.344 1.00 2.18 H new ATOM 0 HD3 LYS A 94 10.362 9.827 3.772 1.00 2.18 H new ATOM 0 HE2 LYS A 94 12.587 8.507 2.167 1.00 2.61 H new ATOM 0 HE3 LYS A 94 11.913 10.034 1.633 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 13.810 10.378 3.097 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 12.400 10.983 3.823 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 13.053 9.504 4.340 1.00 2.96 H new ATOM 628 N GLY A 95 7.033 9.196 6.535 1.00 1.12 N ATOM 629 CA GLY A 95 5.727 9.921 6.377 1.00 1.51 C ATOM 630 C GLY A 95 4.596 9.094 6.988 1.00 1.10 C ATOM 631 O GLY A 95 4.782 7.961 7.383 1.00 1.71 O ATOM 0 H GLY A 95 7.246 8.899 7.487 1.00 1.12 H new ATOM 0 HA2 GLY A 95 5.781 10.895 6.863 1.00 1.51 H new ATOM 0 HA3 GLY A 95 5.527 10.102 5.321 1.00 1.51 H new ATOM 635 N GLY A 96 3.418 9.660 7.071 1.00 1.17 N ATOM 636 CA GLY A 96 2.258 8.922 7.660 1.00 0.99 C ATOM 637 C GLY A 96 1.389 8.338 6.538 1.00 0.81 C ATOM 638 O GLY A 96 0.454 8.965 6.083 1.00 0.83 O ATOM 0 H GLY A 96 3.209 10.607 6.754 1.00 1.17 H new ATOM 0 HA2 GLY A 96 2.616 8.123 8.309 1.00 0.99 H new ATOM 0 HA3 GLY A 96 1.664 9.594 8.280 1.00 0.99 H new ATOM 642 N LEU A 97 1.679 7.143 6.092 1.00 0.67 N ATOM 643 CA LEU A 97 0.854 6.533 5.007 1.00 0.55 C ATOM 644 C LEU A 97 -0.465 6.055 5.619 1.00 0.46 C ATOM 645 O LEU A 97 -1.435 5.805 4.931 1.00 0.49 O ATOM 646 CB LEU A 97 1.626 5.345 4.399 1.00 0.54 C ATOM 647 CG LEU A 97 0.737 4.554 3.426 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.227 5.481 2.314 1.00 0.65 C ATOM 649 CD2 LEU A 97 1.552 3.410 2.811 1.00 0.66 C ATOM 0 H LEU A 97 2.448 6.565 6.431 1.00 0.67 H new ATOM 0 HA LEU A 97 0.648 7.258 4.220 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.510 5.710 3.876 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.976 4.688 5.195 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.117 4.145 3.967 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.402 4.914 1.628 1.00 0.65 H new ATOM 0 HD12 LEU A 97 -0.354 6.291 2.754 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.075 5.897 1.769 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.925 2.847 2.120 1.00 0.66 H new ATOM 0 HD22 LEU A 97 2.406 3.820 2.273 1.00 0.66 H new ATOM 0 HD23 LEU A 97 1.905 2.749 3.602 1.00 0.66 H new ATOM 661 N GLU A 98 -0.497 5.932 6.915 1.00 0.44 N ATOM 662 CA GLU A 98 -1.734 5.472 7.610 1.00 0.40 C ATOM 663 C GLU A 98 -2.928 6.371 7.269 1.00 0.40 C ATOM 664 O GLU A 98 -2.790 7.547 6.994 1.00 0.58 O ATOM 665 CB GLU A 98 -1.494 5.504 9.123 1.00 0.49 C ATOM 666 CG GLU A 98 -2.731 4.991 9.874 1.00 0.48 C ATOM 667 CD GLU A 98 -3.785 6.099 9.981 1.00 1.26 C ATOM 668 OE1 GLU A 98 -3.402 7.251 10.094 1.00 2.03 O ATOM 669 OE2 GLU A 98 -4.961 5.772 9.948 1.00 1.94 O ATOM 0 H GLU A 98 0.290 6.133 7.532 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.963 4.459 7.279 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.629 4.890 9.373 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -1.265 6.522 9.440 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -3.150 4.130 9.353 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.446 4.653 10.870 1.00 0.48 H new ATOM 676 N GLY A 99 -4.102 5.809 7.330 1.00 0.39 N ATOM 677 CA GLY A 99 -5.356 6.578 7.063 1.00 0.42 C ATOM 678 C GLY A 99 -5.257 7.421 5.787 1.00 0.42 C ATOM 679 O GLY A 99 -6.122 8.228 5.511 1.00 0.46 O ATOM 0 H GLY A 99 -4.251 4.826 7.559 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -6.193 5.886 6.975 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -5.569 7.229 7.911 1.00 0.42 H new ATOM 683 N LEU A 100 -4.237 7.251 4.997 1.00 0.41 N ATOM 684 CA LEU A 100 -4.144 8.067 3.746 1.00 0.43 C ATOM 685 C LEU A 100 -5.125 7.495 2.713 1.00 0.42 C ATOM 686 O LEU A 100 -4.985 6.371 2.275 1.00 0.44 O ATOM 687 CB LEU A 100 -2.709 8.011 3.195 1.00 0.45 C ATOM 688 CG LEU A 100 -2.376 9.290 2.400 1.00 0.55 C ATOM 689 CD1 LEU A 100 -2.097 10.469 3.352 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.135 9.034 1.533 1.00 1.17 C ATOM 0 H LEU A 100 -3.472 6.595 5.154 1.00 0.41 H new ATOM 0 HA LEU A 100 -4.396 9.106 3.958 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -2.003 7.895 4.018 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.596 7.138 2.552 1.00 0.45 H new ATOM 0 HG LEU A 100 -3.230 9.545 1.772 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.864 11.360 2.769 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.978 10.657 3.966 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -1.251 10.225 3.995 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -0.894 9.934 0.968 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.293 8.770 2.172 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.336 8.215 0.842 1.00 1.17 H new ATOM 702 N ILE A 101 -6.126 8.244 2.330 1.00 0.44 N ATOM 703 CA ILE A 101 -7.103 7.705 1.344 1.00 0.45 C ATOM 704 C ILE A 101 -6.417 7.409 0.001 1.00 0.46 C ATOM 705 O ILE A 101 -6.089 8.297 -0.762 1.00 0.49 O ATOM 706 CB ILE A 101 -8.293 8.678 1.180 1.00 0.50 C ATOM 707 CG1 ILE A 101 -9.304 8.459 2.333 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.994 8.458 -0.165 1.00 0.54 C ATOM 709 CD1 ILE A 101 -10.225 7.243 2.057 1.00 0.52 C ATOM 0 H ILE A 101 -6.307 9.194 2.654 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.496 6.760 1.720 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.913 9.699 1.210 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.764 8.303 3.267 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.911 9.355 2.461 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.828 9.153 -0.259 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.286 8.629 -0.976 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.367 7.435 -0.218 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.922 7.119 2.886 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.783 7.411 1.136 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.619 6.343 1.955 1.00 0.52 H new ATOM 721 N HIS A 102 -6.229 6.146 -0.287 1.00 0.47 N ATOM 722 CA HIS A 102 -5.600 5.725 -1.572 1.00 0.51 C ATOM 723 C HIS A 102 -6.530 6.112 -2.731 1.00 0.58 C ATOM 724 O HIS A 102 -7.511 5.438 -3.007 1.00 0.64 O ATOM 725 CB HIS A 102 -5.381 4.192 -1.536 1.00 0.57 C ATOM 726 CG HIS A 102 -5.396 3.602 -2.928 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.456 2.836 -3.386 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.497 3.658 -3.963 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.171 2.462 -4.646 1.00 1.36 C ATOM 730 NE2 HIS A 102 -4.989 2.937 -5.047 1.00 0.70 N ATOM 0 H HIS A 102 -6.491 5.375 0.328 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.639 6.219 -1.713 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.429 3.970 -1.055 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.160 3.725 -0.933 1.00 0.57 H new ATOM 0 HD2 HIS A 102 -3.553 4.181 -3.940 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -6.819 1.852 -5.259 1.00 1.36 H new ATOM 0 HE2 HIS A 102 -4.542 2.801 -5.954 1.00 0.70 H new ATOM 738 N SER A 103 -6.221 7.187 -3.408 1.00 0.60 N ATOM 739 CA SER A 103 -7.064 7.626 -4.556 1.00 0.69 C ATOM 740 C SER A 103 -6.875 6.658 -5.727 1.00 0.76 C ATOM 741 O SER A 103 -7.700 5.803 -5.981 1.00 0.85 O ATOM 742 CB SER A 103 -6.647 9.033 -4.986 1.00 0.74 C ATOM 743 OG SER A 103 -7.425 9.432 -6.107 1.00 1.49 O ATOM 0 H SER A 103 -5.416 7.782 -3.213 1.00 0.60 H new ATOM 0 HA SER A 103 -8.112 7.633 -4.256 1.00 0.69 H new ATOM 0 HB2 SER A 103 -6.788 9.734 -4.163 1.00 0.74 H new ATOM 0 HB3 SER A 103 -5.587 9.049 -5.240 1.00 0.74 H new ATOM 0 HG SER A 103 -7.161 10.334 -6.384 1.00 1.49 H new ATOM 749 N GLN A 104 -5.790 6.791 -6.444 1.00 0.81 N ATOM 750 CA GLN A 104 -5.539 5.884 -7.601 1.00 0.92 C ATOM 751 C GLN A 104 -4.100 6.071 -8.093 1.00 0.93 C ATOM 752 O GLN A 104 -3.370 5.119 -8.279 1.00 1.37 O ATOM 753 CB GLN A 104 -6.512 6.218 -8.734 1.00 1.06 C ATOM 754 CG GLN A 104 -6.471 5.106 -9.784 1.00 1.76 C ATOM 755 CD GLN A 104 -7.200 5.569 -11.048 1.00 2.14 C ATOM 756 OE1 GLN A 104 -6.992 6.673 -11.513 1.00 2.64 O ATOM 757 NE2 GLN A 104 -8.049 4.767 -11.627 1.00 2.70 N ATOM 0 H GLN A 104 -5.066 7.490 -6.277 1.00 0.81 H new ATOM 0 HA GLN A 104 -5.686 4.850 -7.290 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.523 6.324 -8.340 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -6.245 7.172 -9.188 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -5.438 4.852 -10.020 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -6.939 4.203 -9.391 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -8.223 3.841 -11.237 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -8.539 5.066 -12.470 1.00 2.70 H new ATOM 766 N ARG A 105 -3.686 7.293 -8.305 1.00 0.83 N ATOM 767 CA ARG A 105 -2.295 7.534 -8.784 1.00 0.87 C ATOM 768 C ARG A 105 -1.308 7.251 -7.650 1.00 0.74 C ATOM 769 O ARG A 105 -0.192 6.830 -7.876 1.00 0.70 O ATOM 770 CB ARG A 105 -2.151 8.991 -9.238 1.00 1.06 C ATOM 771 CG ARG A 105 -0.727 9.234 -9.764 1.00 1.71 C ATOM 772 CD ARG A 105 -0.709 10.462 -10.682 1.00 1.99 C ATOM 773 NE ARG A 105 -1.015 11.686 -9.887 1.00 2.86 N ATOM 774 CZ ARG A 105 -0.780 12.868 -10.391 1.00 3.60 C ATOM 775 NH1 ARG A 105 -0.293 12.979 -11.597 1.00 3.73 N ATOM 776 NH2 ARG A 105 -1.035 13.939 -9.690 1.00 4.61 N ATOM 0 H ARG A 105 -4.250 8.132 -8.167 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.083 6.872 -9.624 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -2.879 9.212 -10.018 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -2.361 9.663 -8.406 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -0.043 9.384 -8.929 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -0.377 8.357 -10.309 1.00 1.71 H new ATOM 0 HD2 ARG A 105 0.267 10.559 -11.157 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -1.441 10.342 -11.480 1.00 1.99 H new ATOM 0 HE ARG A 105 -1.408 11.600 -8.950 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -0.096 12.143 -12.146 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -0.110 13.902 -11.990 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -1.418 13.853 -8.748 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -0.851 14.862 -10.084 1.00 4.61 H new ATOM 790 N ARG A 106 -1.712 7.479 -6.431 1.00 0.71 N ATOM 791 CA ARG A 106 -0.799 7.220 -5.281 1.00 0.65 C ATOM 792 C ARG A 106 -0.362 5.753 -5.300 1.00 0.54 C ATOM 793 O ARG A 106 0.688 5.402 -4.800 1.00 0.50 O ATOM 794 CB ARG A 106 -1.530 7.524 -3.968 1.00 0.70 C ATOM 795 CG ARG A 106 -1.584 9.038 -3.750 1.00 1.01 C ATOM 796 CD ARG A 106 -2.300 9.343 -2.433 1.00 1.24 C ATOM 797 NE ARG A 106 -2.389 10.819 -2.248 1.00 1.86 N ATOM 798 CZ ARG A 106 -3.184 11.319 -1.344 1.00 2.48 C ATOM 799 NH1 ARG A 106 -3.888 10.527 -0.581 1.00 2.86 N ATOM 800 NH2 ARG A 106 -3.273 12.613 -1.198 1.00 3.29 N ATOM 0 H ARG A 106 -2.635 7.834 -6.181 1.00 0.71 H new ATOM 0 HA ARG A 106 0.079 7.861 -5.360 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.540 7.114 -3.999 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.017 7.044 -3.135 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -0.575 9.449 -3.730 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -2.106 9.516 -4.579 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -3.298 8.905 -2.439 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -1.760 8.893 -1.600 1.00 1.24 H new ATOM 0 HE ARG A 106 -1.826 11.440 -2.830 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -3.816 9.516 -0.692 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -4.510 10.920 0.126 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -2.721 13.232 -1.791 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -3.895 13.005 -0.491 1.00 3.29 H new ATOM 814 N GLN A 107 -1.158 4.892 -5.871 1.00 0.55 N ATOM 815 CA GLN A 107 -0.784 3.451 -5.916 1.00 0.52 C ATOM 816 C GLN A 107 0.508 3.287 -6.717 1.00 0.49 C ATOM 817 O GLN A 107 1.469 2.708 -6.250 1.00 0.44 O ATOM 818 CB GLN A 107 -1.901 2.654 -6.590 1.00 0.63 C ATOM 819 CG GLN A 107 -1.520 1.171 -6.630 1.00 1.11 C ATOM 820 CD GLN A 107 -2.741 0.338 -7.026 1.00 1.53 C ATOM 821 OE1 GLN A 107 -3.068 0.233 -8.192 1.00 2.13 O ATOM 822 NE2 GLN A 107 -3.433 -0.263 -6.098 1.00 2.12 N ATOM 0 H GLN A 107 -2.050 5.124 -6.308 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.635 3.083 -4.901 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.836 2.785 -6.045 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.067 3.025 -7.601 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.712 1.012 -7.344 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -1.151 0.853 -5.655 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -3.159 -0.175 -5.120 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -4.249 -0.821 -6.351 1.00 2.12 H new ATOM 831 N ASP A 108 0.539 3.791 -7.919 1.00 0.56 N ATOM 832 CA ASP A 108 1.769 3.663 -8.745 1.00 0.59 C ATOM 833 C ASP A 108 2.948 4.279 -7.989 1.00 0.54 C ATOM 834 O ASP A 108 3.950 3.634 -7.751 1.00 0.54 O ATOM 835 CB ASP A 108 1.570 4.399 -10.075 1.00 0.72 C ATOM 836 CG ASP A 108 0.698 3.551 -11.005 1.00 0.81 C ATOM 837 OD1 ASP A 108 -0.309 3.042 -10.542 1.00 1.33 O ATOM 838 OD2 ASP A 108 1.053 3.427 -12.165 1.00 1.42 O ATOM 0 H ASP A 108 -0.234 4.286 -8.364 1.00 0.56 H new ATOM 0 HA ASP A 108 1.971 2.610 -8.943 1.00 0.59 H new ATOM 0 HB2 ASP A 108 1.099 5.366 -9.900 1.00 0.72 H new ATOM 0 HB3 ASP A 108 2.535 4.594 -10.542 1.00 0.72 H new ATOM 843 N ILE A 109 2.834 5.520 -7.608 1.00 0.55 N ATOM 844 CA ILE A 109 3.946 6.176 -6.866 1.00 0.54 C ATOM 845 C ILE A 109 4.381 5.278 -5.707 1.00 0.47 C ATOM 846 O ILE A 109 5.517 5.308 -5.282 1.00 0.53 O ATOM 847 CB ILE A 109 3.472 7.524 -6.316 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.916 8.373 -7.462 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.649 8.257 -5.665 1.00 0.63 C ATOM 850 CD1 ILE A 109 2.332 9.670 -6.902 1.00 1.47 C ATOM 0 H ILE A 109 2.019 6.109 -7.778 1.00 0.55 H new ATOM 0 HA ILE A 109 4.787 6.337 -7.540 1.00 0.54 H new ATOM 0 HB ILE A 109 2.693 7.358 -5.572 1.00 0.59 H new ATOM 0 HG12 ILE A 109 3.706 8.598 -8.178 1.00 0.70 H new ATOM 0 HG13 ILE A 109 2.147 7.818 -7.999 1.00 0.70 H new ATOM 0 HG21 ILE A 109 4.309 9.216 -5.274 1.00 0.63 H new ATOM 0 HG22 ILE A 109 5.047 7.653 -4.849 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.429 8.424 -6.407 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.937 10.274 -7.719 1.00 1.47 H new ATOM 0 HD12 ILE A 109 1.530 9.436 -6.203 1.00 1.47 H new ATOM 0 HD13 ILE A 109 3.113 10.227 -6.385 1.00 1.47 H new ATOM 862 N LEU A 110 3.486 4.483 -5.188 1.00 0.43 N ATOM 863 CA LEU A 110 3.854 3.589 -4.054 1.00 0.39 C ATOM 864 C LEU A 110 4.850 2.532 -4.568 1.00 0.38 C ATOM 865 O LEU A 110 6.022 2.557 -4.247 1.00 0.38 O ATOM 866 CB LEU A 110 2.566 2.913 -3.522 1.00 0.42 C ATOM 867 CG LEU A 110 2.622 2.633 -1.996 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.005 2.136 -1.550 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.260 3.903 -1.215 1.00 0.66 C ATOM 0 H LEU A 110 2.517 4.414 -5.500 1.00 0.43 H new ATOM 0 HA LEU A 110 4.319 4.152 -3.245 1.00 0.39 H new ATOM 0 HB2 LEU A 110 1.710 3.551 -3.739 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.407 1.975 -4.054 1.00 0.42 H new ATOM 0 HG LEU A 110 1.899 1.845 -1.785 1.00 0.44 H new ATOM 0 HD11 LEU A 110 3.997 1.953 -0.475 1.00 0.56 H new ATOM 0 HD12 LEU A 110 4.245 1.211 -2.074 1.00 0.56 H new ATOM 0 HD13 LEU A 110 4.756 2.891 -1.784 1.00 0.56 H new ATOM 0 HD21 LEU A 110 2.302 3.697 -0.146 1.00 0.66 H new ATOM 0 HD22 LEU A 110 2.968 4.695 -1.460 1.00 0.66 H new ATOM 0 HD23 LEU A 110 1.253 4.221 -1.484 1.00 0.66 H new ATOM 881 N ASP A 111 4.378 1.601 -5.354 1.00 0.40 N ATOM 882 CA ASP A 111 5.266 0.526 -5.893 1.00 0.42 C ATOM 883 C ASP A 111 6.401 1.109 -6.749 1.00 0.43 C ATOM 884 O ASP A 111 7.525 0.653 -6.689 1.00 0.42 O ATOM 885 CB ASP A 111 4.435 -0.432 -6.748 1.00 0.50 C ATOM 886 CG ASP A 111 3.309 -1.027 -5.902 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.575 -1.390 -4.768 1.00 1.30 O ATOM 888 OD2 ASP A 111 2.200 -1.110 -6.402 1.00 1.19 O ATOM 0 H ASP A 111 3.404 1.538 -5.650 1.00 0.40 H new ATOM 0 HA ASP A 111 5.711 -0.001 -5.049 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.019 0.097 -7.605 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.068 -1.228 -7.141 1.00 0.50 H new ATOM 893 N LEU A 112 6.120 2.086 -7.571 1.00 0.48 N ATOM 894 CA LEU A 112 7.196 2.652 -8.444 1.00 0.52 C ATOM 895 C LEU A 112 8.297 3.283 -7.585 1.00 0.48 C ATOM 896 O LEU A 112 9.439 2.870 -7.630 1.00 0.47 O ATOM 897 CB LEU A 112 6.590 3.711 -9.386 1.00 0.60 C ATOM 898 CG LEU A 112 7.404 3.796 -10.684 1.00 0.70 C ATOM 899 CD1 LEU A 112 6.873 4.943 -11.546 1.00 1.45 C ATOM 900 CD2 LEU A 112 8.878 4.048 -10.355 1.00 1.26 C ATOM 0 H LEU A 112 5.201 2.515 -7.677 1.00 0.48 H new ATOM 0 HA LEU A 112 7.634 1.849 -9.037 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.555 3.456 -9.614 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.577 4.683 -8.892 1.00 0.60 H new ATOM 0 HG LEU A 112 7.311 2.856 -11.228 1.00 0.70 H new ATOM 0 HD11 LEU A 112 7.451 5.003 -12.468 1.00 1.45 H new ATOM 0 HD12 LEU A 112 5.825 4.763 -11.786 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.964 5.881 -10.999 1.00 1.45 H new ATOM 0 HD21 LEU A 112 9.452 4.108 -11.280 1.00 1.26 H new ATOM 0 HD22 LEU A 112 8.973 4.986 -9.808 1.00 1.26 H new ATOM 0 HD23 LEU A 112 9.259 3.230 -9.743 1.00 1.26 H new ATOM 912 N TRP A 113 7.968 4.278 -6.806 1.00 0.48 N ATOM 913 CA TRP A 113 9.003 4.929 -5.950 1.00 0.48 C ATOM 914 C TRP A 113 9.813 3.848 -5.234 1.00 0.43 C ATOM 915 O TRP A 113 11.020 3.934 -5.117 1.00 0.45 O ATOM 916 CB TRP A 113 8.312 5.823 -4.921 1.00 0.52 C ATOM 917 CG TRP A 113 9.328 6.458 -4.029 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.089 7.530 -4.350 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.698 6.082 -2.674 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.901 7.837 -3.271 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.696 6.972 -2.213 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.265 5.062 -1.808 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.243 6.854 -0.934 1.00 0.70 C ATOM 924 CZ3 TRP A 113 9.812 4.938 -0.522 1.00 0.58 C ATOM 925 CH2 TRP A 113 10.800 5.833 -0.085 1.00 0.67 C ATOM 0 H TRP A 113 7.029 4.668 -6.725 1.00 0.48 H new ATOM 0 HA TRP A 113 9.670 5.533 -6.565 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.730 6.593 -5.428 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.613 5.234 -4.327 1.00 0.52 H new ATOM 0 HD1 TRP A 113 10.067 8.059 -5.292 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.569 8.608 -3.259 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.505 4.368 -2.136 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.003 7.546 -0.602 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.471 4.151 0.134 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.219 5.734 0.906 1.00 0.67 H new ATOM 936 N ILE A 114 9.157 2.821 -4.769 1.00 0.39 N ATOM 937 CA ILE A 114 9.888 1.723 -4.081 1.00 0.37 C ATOM 938 C ILE A 114 10.908 1.128 -5.062 1.00 0.39 C ATOM 939 O ILE A 114 11.963 0.665 -4.678 1.00 0.44 O ATOM 940 CB ILE A 114 8.876 0.637 -3.647 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.136 1.084 -2.367 1.00 0.37 C ATOM 942 CG2 ILE A 114 9.587 -0.704 -3.400 1.00 0.42 C ATOM 943 CD1 ILE A 114 8.969 0.781 -1.111 1.00 1.00 C ATOM 0 H ILE A 114 8.147 2.696 -4.836 1.00 0.39 H new ATOM 0 HA ILE A 114 10.405 2.101 -3.199 1.00 0.37 H new ATOM 0 HB ILE A 114 8.153 0.501 -4.451 1.00 0.37 H new ATOM 0 HG12 ILE A 114 7.926 2.152 -2.419 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.175 0.573 -2.302 1.00 0.37 H new ATOM 0 HG21 ILE A 114 8.856 -1.453 -3.096 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.079 -1.029 -4.317 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.331 -0.582 -2.612 1.00 0.42 H new ATOM 0 HD11 ILE A 114 8.423 1.106 -0.225 1.00 1.00 H new ATOM 0 HD12 ILE A 114 9.156 -0.291 -1.048 1.00 1.00 H new ATOM 0 HD13 ILE A 114 9.919 1.313 -1.167 1.00 1.00 H new ATOM 955 N TYR A 115 10.578 1.116 -6.326 1.00 0.40 N ATOM 956 CA TYR A 115 11.495 0.530 -7.346 1.00 0.46 C ATOM 957 C TYR A 115 12.804 1.335 -7.450 1.00 0.51 C ATOM 958 O TYR A 115 13.876 0.824 -7.198 1.00 0.54 O ATOM 959 CB TYR A 115 10.772 0.523 -8.702 1.00 0.53 C ATOM 960 CG TYR A 115 11.370 -0.528 -9.607 1.00 0.59 C ATOM 961 CD1 TYR A 115 10.916 -1.851 -9.547 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.378 -0.175 -10.506 1.00 0.74 C ATOM 963 CE1 TYR A 115 11.475 -2.821 -10.388 1.00 0.65 C ATOM 964 CE2 TYR A 115 12.937 -1.144 -11.349 1.00 0.82 C ATOM 965 CZ TYR A 115 12.484 -2.467 -11.290 1.00 0.77 C ATOM 966 OH TYR A 115 13.034 -3.421 -12.119 1.00 0.87 O ATOM 0 H TYR A 115 9.705 1.490 -6.698 1.00 0.40 H new ATOM 0 HA TYR A 115 11.757 -0.486 -7.049 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.710 0.325 -8.555 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.852 1.504 -9.170 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.135 -2.123 -8.852 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.727 0.846 -10.552 1.00 0.74 H new ATOM 0 HE1 TYR A 115 11.127 -3.842 -10.340 1.00 0.65 H new ATOM 0 HE2 TYR A 115 13.717 -0.870 -12.044 1.00 0.82 H new ATOM 0 HH TYR A 115 13.720 -3.008 -12.683 1.00 0.87 H new ATOM 976 N HIS A 116 12.729 2.578 -7.846 1.00 0.58 N ATOM 977 CA HIS A 116 13.974 3.397 -7.999 1.00 0.67 C ATOM 978 C HIS A 116 14.765 3.418 -6.678 1.00 0.67 C ATOM 979 O HIS A 116 15.946 3.705 -6.665 1.00 0.81 O ATOM 980 CB HIS A 116 13.571 4.832 -8.451 1.00 0.79 C ATOM 981 CG HIS A 116 13.977 5.883 -7.440 1.00 1.20 C ATOM 982 ND1 HIS A 116 13.074 6.440 -6.547 1.00 1.99 N ATOM 983 CD2 HIS A 116 15.184 6.481 -7.174 1.00 2.05 C ATOM 984 CE1 HIS A 116 13.745 7.330 -5.795 1.00 2.71 C ATOM 985 NE2 HIS A 116 15.036 7.395 -6.135 1.00 2.74 N ATOM 0 H HIS A 116 11.861 3.064 -8.071 1.00 0.58 H new ATOM 0 HA HIS A 116 14.625 2.958 -8.756 1.00 0.67 H new ATOM 0 HB2 HIS A 116 14.038 5.054 -9.411 1.00 0.79 H new ATOM 0 HB3 HIS A 116 12.493 4.874 -8.604 1.00 0.79 H new ATOM 0 HD2 HIS A 116 16.108 6.273 -7.693 1.00 2.05 H new ATOM 0 HE1 HIS A 116 13.295 7.921 -5.011 1.00 2.71 H new ATOM 0 HE2 HIS A 116 15.757 7.987 -5.722 1.00 2.74 H new ATOM 993 N THR A 117 14.131 3.127 -5.572 1.00 0.63 N ATOM 994 CA THR A 117 14.858 3.145 -4.263 1.00 0.68 C ATOM 995 C THR A 117 15.325 1.732 -3.906 1.00 0.66 C ATOM 996 O THR A 117 16.505 1.447 -3.883 1.00 0.73 O ATOM 997 CB THR A 117 13.919 3.658 -3.167 1.00 0.80 C ATOM 998 OG1 THR A 117 12.698 2.933 -3.215 1.00 0.85 O ATOM 999 CG2 THR A 117 13.640 5.147 -3.385 1.00 0.91 C ATOM 0 H THR A 117 13.143 2.878 -5.516 1.00 0.63 H new ATOM 0 HA THR A 117 15.725 3.801 -4.345 1.00 0.68 H new ATOM 0 HB THR A 117 14.387 3.518 -2.193 1.00 0.80 H new ATOM 0 HG1 THR A 117 12.130 3.296 -3.926 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.972 5.510 -2.604 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.577 5.702 -3.347 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.172 5.291 -4.359 1.00 0.91 H new ATOM 1007 N GLN A 118 14.408 0.849 -3.615 1.00 0.73 N ATOM 1008 CA GLN A 118 14.800 -0.542 -3.247 1.00 0.83 C ATOM 1009 C GLN A 118 15.034 -1.369 -4.514 1.00 0.72 C ATOM 1010 O GLN A 118 16.019 -2.071 -4.634 1.00 0.91 O ATOM 1011 CB GLN A 118 13.682 -1.170 -2.408 1.00 1.06 C ATOM 1012 CG GLN A 118 13.177 -0.138 -1.394 1.00 1.48 C ATOM 1013 CD GLN A 118 12.337 -0.830 -0.321 1.00 2.12 C ATOM 1014 OE1 GLN A 118 12.505 -0.576 0.855 1.00 2.89 O ATOM 1015 NE2 GLN A 118 11.430 -1.699 -0.675 1.00 2.13 N ATOM 0 H GLN A 118 13.404 1.031 -3.616 1.00 0.73 H new ATOM 0 HA GLN A 118 15.723 -0.523 -2.668 1.00 0.83 H new ATOM 0 HB2 GLN A 118 12.865 -1.495 -3.053 1.00 1.06 H new ATOM 0 HB3 GLN A 118 14.052 -2.056 -1.891 1.00 1.06 H new ATOM 0 HG2 GLN A 118 14.021 0.375 -0.933 1.00 1.48 H new ATOM 0 HG3 GLN A 118 12.581 0.621 -1.901 1.00 1.48 H new ATOM 0 HE21 GLN A 118 11.287 -1.914 -1.662 1.00 2.13 H new ATOM 0 HE22 GLN A 118 10.864 -2.163 0.035 1.00 2.13 H new ATOM 1024 N GLY A 119 14.144 -1.284 -5.464 1.00 0.86 N ATOM 1025 CA GLY A 119 14.318 -2.057 -6.733 1.00 0.85 C ATOM 1026 C GLY A 119 13.618 -3.411 -6.626 1.00 0.65 C ATOM 1027 O GLY A 119 13.833 -4.293 -7.433 1.00 0.67 O ATOM 0 H GLY A 119 13.301 -0.712 -5.419 1.00 0.86 H new ATOM 0 HA2 GLY A 119 13.908 -1.493 -7.570 1.00 0.85 H new ATOM 0 HA3 GLY A 119 15.379 -2.203 -6.936 1.00 0.85 H new ATOM 1031 N TYR A 120 12.776 -3.590 -5.646 1.00 0.54 N ATOM 1032 CA TYR A 120 12.070 -4.894 -5.521 1.00 0.44 C ATOM 1033 C TYR A 120 11.000 -4.973 -6.610 1.00 0.49 C ATOM 1034 O TYR A 120 10.280 -4.025 -6.852 1.00 0.70 O ATOM 1035 CB TYR A 120 11.409 -4.999 -4.141 1.00 0.48 C ATOM 1036 CG TYR A 120 12.452 -5.339 -3.095 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.126 -6.567 -3.148 1.00 0.58 C ATOM 1038 CD2 TYR A 120 12.741 -4.430 -2.070 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.087 -6.882 -2.177 1.00 0.71 C ATOM 1040 CE2 TYR A 120 13.699 -4.746 -1.099 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.372 -5.971 -1.153 1.00 0.75 C ATOM 1042 OH TYR A 120 15.315 -6.281 -0.195 1.00 0.91 O ATOM 0 H TYR A 120 12.548 -2.897 -4.933 1.00 0.54 H new ATOM 0 HA TYR A 120 12.781 -5.713 -5.633 1.00 0.44 H new ATOM 0 HB2 TYR A 120 10.922 -4.057 -3.889 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.634 -5.765 -4.157 1.00 0.48 H new ATOM 0 HD1 TYR A 120 12.905 -7.271 -3.937 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.224 -3.483 -2.028 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.607 -7.827 -2.219 1.00 0.71 H new ATOM 0 HE2 TYR A 120 13.918 -4.044 -0.308 1.00 0.71 H new ATOM 0 HH TYR A 120 15.391 -5.539 0.441 1.00 0.91 H new ATOM 1052 N PHE A 121 10.894 -6.088 -7.276 1.00 0.48 N ATOM 1053 CA PHE A 121 9.873 -6.209 -8.355 1.00 0.57 C ATOM 1054 C PHE A 121 8.475 -6.308 -7.714 1.00 0.55 C ATOM 1055 O PHE A 121 8.304 -6.990 -6.725 1.00 0.59 O ATOM 1056 CB PHE A 121 10.155 -7.467 -9.186 1.00 0.68 C ATOM 1057 CG PHE A 121 10.611 -8.588 -8.280 1.00 1.42 C ATOM 1058 CD1 PHE A 121 9.667 -9.343 -7.576 1.00 2.32 C ATOM 1059 CD2 PHE A 121 11.976 -8.873 -8.148 1.00 2.33 C ATOM 1060 CE1 PHE A 121 10.086 -10.386 -6.741 1.00 3.44 C ATOM 1061 CE2 PHE A 121 12.396 -9.915 -7.312 1.00 3.43 C ATOM 1062 CZ PHE A 121 11.450 -10.672 -6.609 1.00 3.85 C ATOM 0 H PHE A 121 11.467 -6.918 -7.122 1.00 0.48 H new ATOM 0 HA PHE A 121 9.915 -5.335 -9.006 1.00 0.57 H new ATOM 0 HB2 PHE A 121 9.257 -7.766 -9.726 1.00 0.68 H new ATOM 0 HB3 PHE A 121 10.921 -7.257 -9.933 1.00 0.68 H new ATOM 0 HD1 PHE A 121 8.615 -9.121 -7.677 1.00 2.32 H new ATOM 0 HD2 PHE A 121 12.705 -8.289 -8.691 1.00 2.33 H new ATOM 0 HE1 PHE A 121 9.357 -10.970 -6.199 1.00 3.44 H new ATOM 0 HE2 PHE A 121 13.448 -10.135 -7.209 1.00 3.43 H new ATOM 0 HZ PHE A 121 11.773 -11.477 -5.965 1.00 3.85 H new ATOM 1072 N PRO A 122 7.478 -5.637 -8.256 1.00 0.64 N ATOM 1073 CA PRO A 122 6.097 -5.677 -7.691 1.00 0.67 C ATOM 1074 C PRO A 122 5.347 -6.962 -8.054 1.00 0.73 C ATOM 1075 O PRO A 122 4.856 -7.127 -9.153 1.00 1.19 O ATOM 1076 CB PRO A 122 5.424 -4.458 -8.328 1.00 0.80 C ATOM 1077 CG PRO A 122 6.081 -4.333 -9.662 1.00 1.05 C ATOM 1078 CD PRO A 122 7.537 -4.766 -9.452 1.00 0.87 C ATOM 0 HA PRO A 122 6.101 -5.660 -6.601 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.348 -4.603 -8.426 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.571 -3.562 -7.726 1.00 0.80 H new ATOM 0 HG2 PRO A 122 5.588 -4.964 -10.401 1.00 1.05 H new ATOM 0 HG3 PRO A 122 6.027 -3.309 -10.030 1.00 1.05 H new ATOM 0 HD2 PRO A 122 7.924 -5.302 -10.319 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.190 -3.908 -9.290 1.00 0.87 H new ATOM 1086 N ASP A 123 5.245 -7.860 -7.120 1.00 0.56 N ATOM 1087 CA ASP A 123 4.516 -9.134 -7.363 1.00 0.64 C ATOM 1088 C ASP A 123 4.038 -9.659 -6.013 1.00 0.58 C ATOM 1089 O ASP A 123 3.784 -10.835 -5.841 1.00 0.65 O ATOM 1090 CB ASP A 123 5.454 -10.157 -8.020 1.00 0.74 C ATOM 1091 CG ASP A 123 6.547 -10.570 -7.031 1.00 0.77 C ATOM 1092 OD1 ASP A 123 6.737 -9.859 -6.057 1.00 1.38 O ATOM 1093 OD2 ASP A 123 7.175 -11.589 -7.264 1.00 1.27 O ATOM 0 H ASP A 123 5.641 -7.765 -6.185 1.00 0.56 H new ATOM 0 HA ASP A 123 3.670 -8.968 -8.030 1.00 0.64 H new ATOM 0 HB2 ASP A 123 4.887 -11.033 -8.336 1.00 0.74 H new ATOM 0 HB3 ASP A 123 5.904 -9.728 -8.915 1.00 0.74 H new ATOM 1098 N TRP A 124 3.939 -8.778 -5.045 1.00 0.53 N ATOM 1099 CA TRP A 124 3.504 -9.180 -3.673 1.00 0.52 C ATOM 1100 C TRP A 124 2.283 -8.369 -3.258 1.00 0.51 C ATOM 1101 O TRP A 124 1.531 -8.753 -2.385 1.00 0.55 O ATOM 1102 CB TRP A 124 4.652 -8.906 -2.700 1.00 0.49 C ATOM 1103 CG TRP A 124 5.106 -7.490 -2.864 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.049 -7.066 -3.741 1.00 0.44 C ATOM 1105 CD2 TRP A 124 4.648 -6.305 -2.155 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.200 -5.698 -3.606 1.00 0.42 N ATOM 1107 CE2 TRP A 124 5.358 -5.182 -2.643 1.00 0.41 C ATOM 1108 CE3 TRP A 124 3.696 -6.099 -1.143 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.129 -3.900 -2.144 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 3.463 -4.809 -0.640 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.177 -3.713 -1.139 1.00 0.55 C ATOM 0 H TRP A 124 4.145 -7.785 -5.151 1.00 0.53 H new ATOM 0 HA TRP A 124 3.245 -10.239 -3.663 1.00 0.52 H new ATOM 0 HB2 TRP A 124 4.325 -9.080 -1.675 1.00 0.49 H new ATOM 0 HB3 TRP A 124 5.479 -9.590 -2.891 1.00 0.49 H new ATOM 0 HD1 TRP A 124 6.593 -7.693 -4.432 1.00 0.44 H new ATOM 0 HE1 TRP A 124 6.855 -5.138 -4.152 1.00 0.42 H new ATOM 0 HE3 TRP A 124 3.140 -6.937 -0.750 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 5.683 -3.058 -2.532 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 2.728 -4.661 0.137 1.00 0.58 H new ATOM 0 HH2 TRP A 124 3.992 -2.724 -0.747 1.00 0.55 H new ATOM 1122 N GLN A 125 2.086 -7.253 -3.880 1.00 0.53 N ATOM 1123 CA GLN A 125 0.913 -6.396 -3.538 1.00 0.60 C ATOM 1124 C GLN A 125 -0.354 -6.996 -4.167 1.00 0.66 C ATOM 1125 O GLN A 125 -0.681 -6.728 -5.306 1.00 0.84 O ATOM 1126 CB GLN A 125 1.150 -4.960 -4.055 1.00 0.69 C ATOM 1127 CG GLN A 125 2.090 -4.979 -5.269 1.00 1.56 C ATOM 1128 CD GLN A 125 1.606 -6.007 -6.293 1.00 2.18 C ATOM 1129 OE1 GLN A 125 2.095 -7.118 -6.332 1.00 2.78 O ATOM 1130 NE2 GLN A 125 0.657 -5.682 -7.130 1.00 2.82 N ATOM 0 H GLN A 125 2.687 -6.887 -4.618 1.00 0.53 H new ATOM 0 HA GLN A 125 0.785 -6.357 -2.456 1.00 0.60 H new ATOM 0 HB2 GLN A 125 0.199 -4.504 -4.330 1.00 0.69 H new ATOM 0 HB3 GLN A 125 1.580 -4.347 -3.263 1.00 0.69 H new ATOM 0 HG2 GLN A 125 2.127 -3.990 -5.725 1.00 1.56 H new ATOM 0 HG3 GLN A 125 3.104 -5.221 -4.950 1.00 1.56 H new ATOM 0 HE21 GLN A 125 0.246 -4.749 -7.098 1.00 2.82 H new ATOM 0 HE22 GLN A 125 0.327 -6.361 -7.816 1.00 2.82 H new ATOM 1139 N ASN A 126 -1.070 -7.809 -3.436 1.00 0.64 N ATOM 1140 CA ASN A 126 -2.309 -8.423 -4.003 1.00 0.72 C ATOM 1141 C ASN A 126 -3.280 -8.780 -2.873 1.00 0.69 C ATOM 1142 O ASN A 126 -3.254 -9.870 -2.339 1.00 1.22 O ATOM 1143 CB ASN A 126 -1.931 -9.690 -4.774 1.00 0.84 C ATOM 1144 CG ASN A 126 -1.210 -9.302 -6.067 1.00 0.89 C ATOM 1145 OD1 ASN A 126 -1.836 -8.909 -7.031 1.00 1.53 O ATOM 1146 ND2 ASN A 126 0.090 -9.392 -6.125 1.00 0.88 N ATOM 0 H ASN A 126 -0.853 -8.074 -2.475 1.00 0.64 H new ATOM 0 HA ASN A 126 -2.792 -7.712 -4.673 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -1.288 -10.323 -4.162 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -2.825 -10.270 -5.003 1.00 0.84 H new ATOM 0 HD21 ASN A 126 0.582 -9.132 -6.980 1.00 0.88 H new ATOM 0 HD22 ASN A 126 0.615 -9.722 -5.315 1.00 0.88 H new ATOM 1153 N TYR A 127 -4.140 -7.867 -2.508 1.00 0.69 N ATOM 1154 CA TYR A 127 -5.120 -8.153 -1.421 1.00 0.61 C ATOM 1155 C TYR A 127 -6.153 -9.175 -1.907 1.00 0.63 C ATOM 1156 O TYR A 127 -5.956 -9.852 -2.897 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.821 -6.855 -1.016 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.816 -5.729 -1.018 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -4.501 -5.076 -2.215 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -4.195 -5.343 0.175 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -3.565 -4.034 -2.218 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -3.260 -4.301 0.172 1.00 1.19 C ATOM 1163 CZ TYR A 127 -2.945 -3.647 -1.025 1.00 1.23 C ATOM 1164 OH TYR A 127 -2.023 -2.620 -1.029 1.00 1.48 O ATOM 0 H TYR A 127 -4.206 -6.935 -2.916 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.596 -8.565 -0.559 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -6.634 -6.635 -1.708 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -6.265 -6.961 -0.026 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -4.979 -5.375 -3.136 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.437 -5.849 1.098 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -3.322 -3.529 -3.141 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.782 -4.002 1.093 1.00 1.19 H new ATOM 0 HH TYR A 127 -1.689 -2.477 -0.119 1.00 1.48 H new ATOM 1174 N THR A 128 -7.257 -9.287 -1.215 1.00 0.62 N ATOM 1175 CA THR A 128 -8.307 -10.258 -1.634 1.00 0.68 C ATOM 1176 C THR A 128 -8.833 -9.871 -3.025 1.00 0.75 C ATOM 1177 O THR A 128 -8.836 -8.709 -3.379 1.00 0.97 O ATOM 1178 CB THR A 128 -9.466 -10.226 -0.632 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.867 -8.880 -0.417 1.00 1.22 O ATOM 1180 CG2 THR A 128 -9.021 -10.845 0.692 1.00 0.90 C ATOM 0 H THR A 128 -7.475 -8.747 -0.378 1.00 0.62 H new ATOM 0 HA THR A 128 -7.880 -11.260 -1.666 1.00 0.68 H new ATOM 0 HB THR A 128 -10.304 -10.797 -1.031 1.00 0.86 H new ATOM 0 HG1 THR A 128 -10.609 -8.858 0.222 1.00 1.22 H new ATOM 0 HG21 THR A 128 -9.848 -10.820 1.401 1.00 0.90 H new ATOM 0 HG22 THR A 128 -8.716 -11.878 0.526 1.00 0.90 H new ATOM 0 HG23 THR A 128 -8.181 -10.279 1.094 1.00 0.90 H new ATOM 1249 N ARG A 134 -10.059 -5.352 2.395 1.00 0.51 N ATOM 1250 CA ARG A 134 -9.015 -5.963 1.529 1.00 0.49 C ATOM 1251 C ARG A 134 -7.838 -6.434 2.395 1.00 0.40 C ATOM 1252 O ARG A 134 -6.931 -5.672 2.691 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.537 -4.902 0.519 1.00 0.58 C ATOM 1254 CG ARG A 134 -9.309 -5.028 -0.806 1.00 1.06 C ATOM 1255 CD ARG A 134 -8.845 -3.938 -1.797 1.00 1.37 C ATOM 1256 NE ARG A 134 -10.035 -3.319 -2.460 1.00 1.86 N ATOM 1257 CZ ARG A 134 -10.973 -4.058 -2.989 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -10.830 -5.351 -3.063 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -12.043 -3.495 -3.478 1.00 3.36 N ATOM 0 HA ARG A 134 -9.422 -6.823 0.997 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -8.680 -3.905 0.936 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.469 -5.021 0.336 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -9.147 -6.016 -1.238 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -10.379 -4.932 -0.623 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -8.272 -3.175 -1.271 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -8.184 -4.372 -2.547 1.00 1.37 H new ATOM 0 HE ARG A 134 -10.115 -2.303 -2.499 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -9.982 -5.792 -2.707 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -11.566 -5.923 -3.477 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -12.145 -2.481 -3.447 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -12.778 -4.069 -3.892 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.836 -7.684 2.787 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.709 -8.203 3.613 1.00 0.39 C ATOM 1275 C TYR A 135 -5.546 -8.555 2.671 1.00 0.36 C ATOM 1276 O TYR A 135 -5.771 -8.936 1.539 1.00 0.39 O ATOM 1277 CB TYR A 135 -7.143 -9.477 4.352 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.422 -9.237 5.120 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.656 -9.316 4.463 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -8.376 -8.954 6.491 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.843 -9.110 5.176 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -9.564 -8.744 7.203 1.00 0.85 C ATOM 1283 CZ TYR A 135 -10.798 -8.824 6.546 1.00 0.92 C ATOM 1284 OH TYR A 135 -11.969 -8.621 7.247 1.00 1.17 O ATOM 0 H TYR A 135 -8.565 -8.364 2.570 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.409 -7.449 4.341 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.288 -10.287 3.637 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.356 -9.793 5.036 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.692 -9.536 3.406 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -7.425 -8.898 6.999 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.795 -9.172 4.669 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -9.528 -8.520 8.259 1.00 0.85 H new ATOM 0 HH TYR A 135 -11.760 -8.435 8.186 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.315 -8.445 3.119 1.00 0.37 N ATOM 1295 CA PRO A 136 -3.131 -8.777 2.272 1.00 0.38 C ATOM 1296 C PRO A 136 -2.898 -10.290 2.187 1.00 0.37 C ATOM 1297 O PRO A 136 -2.588 -10.928 3.172 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.976 -8.095 3.011 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.377 -8.148 4.448 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.903 -7.995 4.466 1.00 0.44 C ATOM 0 HA PRO A 136 -3.248 -8.446 1.240 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -1.033 -8.615 2.841 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.839 -7.068 2.674 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -2.074 -9.091 4.903 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.898 -7.351 5.017 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.357 -8.603 5.248 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.200 -6.963 4.652 1.00 0.44 H new ATOM 1308 N LEU A 137 -3.034 -10.876 1.025 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.802 -12.343 0.929 1.00 0.43 C ATOM 1310 C LEU A 137 -1.366 -12.635 1.359 1.00 0.41 C ATOM 1311 O LEU A 137 -1.109 -13.560 2.104 1.00 0.38 O ATOM 1312 CB LEU A 137 -3.033 -12.825 -0.499 1.00 0.51 C ATOM 1313 CG LEU A 137 -4.392 -12.326 -1.001 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -4.567 -12.704 -2.473 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -5.520 -12.959 -0.173 1.00 0.92 C ATOM 0 H LEU A 137 -3.291 -10.410 0.155 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.500 -12.870 1.580 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -2.238 -12.459 -1.149 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.999 -13.914 -0.535 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.434 -11.242 -0.896 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -5.534 -12.348 -2.828 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.773 -12.246 -3.063 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -4.518 -13.788 -2.579 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -6.483 -12.600 -0.535 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -5.478 -14.044 -0.270 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -5.401 -12.683 0.875 1.00 0.92 H new ATOM 1327 N THR A 138 -0.429 -11.839 0.921 1.00 0.50 N ATOM 1328 CA THR A 138 0.981 -12.066 1.338 1.00 0.55 C ATOM 1329 C THR A 138 1.089 -11.776 2.837 1.00 0.47 C ATOM 1330 O THR A 138 0.324 -11.009 3.385 1.00 0.50 O ATOM 1331 CB THR A 138 1.920 -11.136 0.547 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.240 -9.927 0.243 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.353 -11.817 -0.754 1.00 1.04 C ATOM 0 H THR A 138 -0.579 -11.047 0.296 1.00 0.50 H new ATOM 0 HA THR A 138 1.272 -13.097 1.136 1.00 0.55 H new ATOM 0 HB THR A 138 2.802 -10.920 1.150 1.00 0.73 H new ATOM 0 HG1 THR A 138 1.441 -9.661 -0.679 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.017 -11.154 -1.308 1.00 1.04 H new ATOM 0 HG22 THR A 138 2.877 -12.744 -0.522 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.474 -12.039 -1.359 1.00 1.04 H new ATOM 1341 N PHE A 139 2.023 -12.397 3.504 1.00 0.51 N ATOM 1342 CA PHE A 139 2.178 -12.175 4.975 1.00 0.49 C ATOM 1343 C PHE A 139 3.307 -11.174 5.243 1.00 0.65 C ATOM 1344 O PHE A 139 4.227 -11.034 4.465 1.00 1.43 O ATOM 1345 CB PHE A 139 2.512 -13.511 5.646 1.00 0.52 C ATOM 1346 CG PHE A 139 2.672 -13.317 7.139 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.584 -12.886 7.911 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.905 -13.573 7.754 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.731 -12.711 9.292 1.00 0.77 C ATOM 1350 CE2 PHE A 139 4.051 -13.397 9.135 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.963 -12.967 9.904 1.00 0.66 C ATOM 0 H PHE A 139 2.689 -13.052 3.094 1.00 0.51 H new ATOM 0 HA PHE A 139 1.249 -11.774 5.380 1.00 0.49 H new ATOM 0 HB2 PHE A 139 1.721 -14.234 5.448 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.430 -13.919 5.224 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.632 -12.689 7.440 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.744 -13.907 7.161 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.893 -12.378 9.886 1.00 0.77 H new ATOM 0 HE2 PHE A 139 5.002 -13.593 9.607 1.00 0.62 H new ATOM 0 HZ PHE A 139 3.075 -12.833 10.970 1.00 0.66 H new ATOM 1361 N GLY A 140 3.239 -10.481 6.350 1.00 0.46 N ATOM 1362 CA GLY A 140 4.304 -9.494 6.698 1.00 0.43 C ATOM 1363 C GLY A 140 3.866 -8.085 6.301 1.00 0.35 C ATOM 1364 O GLY A 140 4.127 -7.126 6.999 1.00 0.32 O ATOM 0 H GLY A 140 2.485 -10.557 7.033 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.509 -9.531 7.768 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.231 -9.752 6.186 1.00 0.43 H new ATOM 1368 N TRP A 141 3.200 -7.948 5.190 1.00 0.34 N ATOM 1369 CA TRP A 141 2.750 -6.588 4.768 1.00 0.29 C ATOM 1370 C TRP A 141 1.570 -6.185 5.647 1.00 0.32 C ATOM 1371 O TRP A 141 0.443 -6.584 5.428 1.00 0.40 O ATOM 1372 CB TRP A 141 2.360 -6.615 3.283 1.00 0.33 C ATOM 1373 CG TRP A 141 2.120 -5.229 2.746 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.005 -4.866 2.068 1.00 0.35 C ATOM 1375 CD2 TRP A 141 2.973 -4.031 2.798 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.110 -3.538 1.699 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.298 -2.977 2.127 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.245 -3.745 3.352 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.854 -1.702 2.009 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.800 -2.460 3.231 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.107 -1.443 2.563 1.00 0.33 C ATOM 0 H TRP A 141 2.948 -8.709 4.559 1.00 0.34 H new ATOM 0 HA TRP A 141 3.549 -5.857 4.887 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.151 -7.097 2.708 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.460 -7.216 3.154 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.167 -5.512 1.850 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.396 -3.033 1.174 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.791 -4.519 3.870 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.317 -0.921 1.492 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.771 -2.255 3.657 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.543 -0.459 2.477 1.00 0.33 H new ATOM 1392 N CYS A 142 1.842 -5.426 6.676 1.00 0.31 N ATOM 1393 CA CYS A 142 0.773 -5.019 7.625 1.00 0.40 C ATOM 1394 C CYS A 142 -0.028 -3.838 7.093 1.00 0.39 C ATOM 1395 O CYS A 142 -0.363 -2.933 7.830 1.00 0.48 O ATOM 1396 CB CYS A 142 1.422 -4.623 8.936 1.00 0.47 C ATOM 1397 SG CYS A 142 2.531 -5.941 9.482 1.00 1.45 S ATOM 0 H CYS A 142 2.771 -5.069 6.899 1.00 0.31 H new ATOM 0 HA CYS A 142 0.090 -5.858 7.760 1.00 0.40 H new ATOM 0 HB2 CYS A 142 1.978 -3.693 8.813 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.658 -4.440 9.692 1.00 0.47 H new ATOM 0 HG CYS A 142 3.221 -6.375 8.469 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.351 -3.842 5.833 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.153 -2.722 5.247 1.00 0.40 C ATOM 1405 C TYR A 143 -2.405 -3.320 4.610 1.00 0.43 C ATOM 1406 O TYR A 143 -2.333 -4.051 3.642 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.308 -2.001 4.183 1.00 0.55 C ATOM 1408 CG TYR A 143 0.359 -0.778 4.777 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.405 0.359 5.054 1.00 2.16 C ATOM 1410 CD2 TYR A 143 1.735 -0.781 5.044 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.201 1.496 5.601 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.342 0.357 5.590 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.575 1.495 5.868 1.00 3.52 C ATOM 1414 OH TYR A 143 2.173 2.616 6.404 1.00 4.57 O ATOM 0 H TYR A 143 -0.094 -4.577 5.174 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.437 -2.003 6.016 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.448 -2.680 3.789 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -0.940 -1.707 3.345 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.465 0.360 4.846 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.326 -1.659 4.829 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -0.391 2.373 5.817 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.402 0.357 5.797 1.00 3.14 H new ATOM 0 HH TYR A 143 3.130 2.448 6.529 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.550 -3.011 5.154 1.00 0.39 N ATOM 1425 CA LYS A 144 -4.832 -3.549 4.603 1.00 0.51 C ATOM 1426 C LYS A 144 -5.706 -2.376 4.167 1.00 0.43 C ATOM 1427 O LYS A 144 -5.938 -1.449 4.917 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.549 -4.349 5.694 1.00 0.70 C ATOM 1429 CG LYS A 144 -5.893 -3.423 6.863 1.00 1.21 C ATOM 1430 CD LYS A 144 -6.217 -4.252 8.107 1.00 1.24 C ATOM 1431 CE LYS A 144 -6.629 -3.318 9.248 1.00 1.57 C ATOM 1432 NZ LYS A 144 -7.902 -2.630 8.893 1.00 2.32 N ATOM 0 H LYS A 144 -3.656 -2.402 5.966 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.635 -4.199 3.750 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -6.457 -4.798 5.293 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -4.914 -5.166 6.038 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -5.056 -2.756 7.068 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -6.745 -2.795 6.602 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -7.021 -4.955 7.890 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -5.349 -4.842 8.401 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -6.755 -3.886 10.170 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -5.845 -2.583 9.432 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -8.348 -2.259 9.756 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -7.702 -1.845 8.241 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -8.545 -3.306 8.434 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.188 -2.400 2.958 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.045 -1.274 2.490 1.00 0.37 C ATOM 1448 C LEU A 145 -8.453 -1.467 3.057 1.00 0.38 C ATOM 1449 O LEU A 145 -8.820 -2.552 3.462 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.080 -1.250 0.954 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.782 -0.614 0.404 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.489 -1.161 -0.998 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.928 0.918 0.330 1.00 0.52 C ATOM 0 H LEU A 145 -6.029 -3.143 2.277 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.641 -0.323 2.836 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.189 -2.264 0.569 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -7.946 -0.684 0.611 1.00 0.42 H new ATOM 0 HG LEU A 145 -4.960 -0.864 1.075 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.574 -0.710 -1.381 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.367 -2.243 -0.948 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.318 -0.920 -1.663 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -5.007 1.353 -0.059 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.757 1.173 -0.330 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -6.123 1.313 1.327 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.241 -0.428 3.102 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.622 -0.560 3.662 1.00 0.50 C ATOM 1467 C VAL A 146 -11.489 0.601 3.126 1.00 0.59 C ATOM 1468 O VAL A 146 -11.189 1.750 3.380 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.553 -0.451 5.197 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.970 -0.339 5.775 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.861 -1.689 5.785 1.00 0.56 C ATOM 0 H VAL A 146 -8.992 0.506 2.777 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.051 -1.519 3.372 1.00 0.50 H new ATOM 0 HB VAL A 146 -9.980 0.439 5.459 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.915 -0.262 6.861 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.458 0.549 5.373 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.545 -1.224 5.503 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.818 -1.601 6.871 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.424 -2.583 5.516 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.849 -1.764 5.387 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.556 0.327 2.398 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.442 1.404 1.859 1.00 0.81 C ATOM 1483 C PRO A 147 -13.742 2.487 2.905 1.00 0.91 C ATOM 1484 O PRO A 147 -13.400 2.354 4.064 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.714 0.651 1.460 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.238 -0.715 1.087 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.039 -1.013 1.997 1.00 0.75 C ATOM 0 HA PRO A 147 -12.982 1.942 1.030 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.427 0.612 2.284 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -15.218 1.138 0.625 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.027 -1.454 1.228 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -13.949 -0.753 0.037 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.332 -1.608 2.862 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.268 -1.575 1.470 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.439 4.192 -1.289 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.890 3.232 -0.266 1.00 0.52 C ATOM 1782 C LEU A 181 -8.762 3.886 0.534 1.00 0.47 C ATOM 1783 O LEU A 181 -8.032 4.697 0.019 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.331 1.999 -0.986 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.315 1.529 -2.062 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -9.739 0.305 -2.778 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.655 1.163 -1.413 1.00 0.87 C ATOM 0 HA LEU A 181 -10.693 2.948 0.415 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.369 2.238 -1.440 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.154 1.198 -0.268 1.00 0.60 H new ATOM 0 HG LEU A 181 -10.474 2.331 -2.783 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -10.438 -0.031 -3.544 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -8.790 0.569 -3.244 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -9.579 -0.496 -2.057 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.352 0.829 -2.181 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.502 0.362 -0.689 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.065 2.037 -0.906 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.615 3.529 1.794 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.518 4.114 2.642 1.00 0.45 C ATOM 1801 C GLU A 182 -6.589 3.020 3.167 1.00 0.42 C ATOM 1802 O GLU A 182 -7.012 1.944 3.544 1.00 0.43 O ATOM 1803 CB GLU A 182 -8.122 4.867 3.834 1.00 0.49 C ATOM 1804 CG GLU A 182 -9.149 3.976 4.539 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.850 4.773 5.639 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -9.205 5.072 6.631 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -11.022 5.071 5.474 1.00 1.62 O ATOM 0 H GLU A 182 -9.211 2.854 2.273 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.943 4.800 2.020 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -7.335 5.154 4.532 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.597 5.787 3.493 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.881 3.608 3.820 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.656 3.103 4.967 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.312 3.316 3.203 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.308 2.338 3.715 1.00 0.38 C ATOM 1816 C TRP A 183 -4.407 2.291 5.247 1.00 0.37 C ATOM 1817 O TRP A 183 -4.022 3.222 5.925 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.893 2.808 3.323 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.530 2.351 1.941 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.306 1.068 1.575 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.312 3.160 0.749 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -1.962 1.039 0.234 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -1.954 2.306 -0.319 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.392 4.539 0.499 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.680 2.808 -1.595 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.117 5.050 -0.781 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -1.762 4.185 -1.826 1.00 0.41 C ATOM 0 H TRP A 183 -4.920 4.206 2.895 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.499 1.352 3.291 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.842 3.896 3.374 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.168 2.421 4.039 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.383 0.207 2.223 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.742 0.187 -0.282 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.667 5.213 1.297 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.407 2.137 -2.396 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.179 6.113 -0.960 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.552 4.582 -2.808 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.906 1.219 5.801 1.00 0.35 N ATOM 1839 CA ARG A 184 -5.006 1.130 7.291 1.00 0.35 C ATOM 1840 C ARG A 184 -3.744 0.448 7.827 1.00 0.31 C ATOM 1841 O ARG A 184 -3.618 -0.760 7.797 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.232 0.301 7.675 1.00 0.40 C ATOM 1843 CG ARG A 184 -7.482 0.867 6.992 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.739 2.310 7.444 1.00 1.51 C ATOM 1845 NE ARG A 184 -7.442 2.450 8.899 1.00 1.57 N ATOM 1846 CZ ARG A 184 -7.352 3.637 9.436 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -7.573 4.699 8.710 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -7.054 3.761 10.700 1.00 2.61 N ATOM 0 H ARG A 184 -5.248 0.404 5.292 1.00 0.35 H new ATOM 0 HA ARG A 184 -5.102 2.129 7.716 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.085 -0.738 7.380 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.363 0.310 8.757 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -7.357 0.836 5.910 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -8.346 0.246 7.231 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -7.116 2.996 6.870 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -8.776 2.582 7.248 1.00 1.51 H new ATOM 0 HE ARG A 184 -7.309 1.618 9.475 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -7.816 4.601 7.724 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -7.503 5.627 9.129 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -6.891 2.931 11.269 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -6.984 4.688 11.119 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.805 1.218 8.305 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.538 0.629 8.832 1.00 0.31 C ATOM 1864 C PHE A 185 -1.833 -0.174 10.108 1.00 0.31 C ATOM 1865 O PHE A 185 -2.588 0.250 10.960 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.562 1.783 9.125 1.00 0.40 C ATOM 1867 CG PHE A 185 0.574 1.334 10.025 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.357 1.183 11.400 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.846 1.087 9.488 1.00 0.62 C ATOM 1870 CE1 PHE A 185 1.406 0.785 12.236 1.00 0.75 C ATOM 1871 CE2 PHE A 185 2.896 0.691 10.327 1.00 0.74 C ATOM 1872 CZ PHE A 185 2.674 0.540 11.700 1.00 0.71 C ATOM 0 H PHE A 185 -2.860 2.235 8.354 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.094 -0.049 8.103 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.156 2.165 8.188 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -1.100 2.605 9.598 1.00 0.40 H new ATOM 0 HD1 PHE A 185 -0.621 1.374 11.816 1.00 0.65 H new ATOM 0 HD2 PHE A 185 2.016 1.202 8.428 1.00 0.62 H new ATOM 0 HE1 PHE A 185 1.236 0.667 13.296 1.00 0.75 H new ATOM 0 HE2 PHE A 185 3.876 0.502 9.914 1.00 0.74 H new ATOM 0 HZ PHE A 185 3.483 0.234 12.347 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.252 -1.342 10.235 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.505 -2.186 11.435 1.00 0.32 C ATOM 1884 C ASP A 186 -0.315 -3.131 11.668 1.00 0.30 C ATOM 1885 O ASP A 186 -0.469 -4.336 11.699 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.760 -3.007 11.169 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.287 -3.594 12.477 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -3.339 -2.864 13.453 1.00 1.16 O ATOM 1889 OD2 ASP A 186 -3.630 -4.765 12.481 1.00 1.23 O ATOM 0 H ASP A 186 -0.610 -1.746 9.553 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.633 -1.561 12.319 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.524 -2.380 10.708 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.538 -3.809 10.465 1.00 0.37 H new ATOM 1894 N SER A 187 0.865 -2.583 11.819 1.00 0.33 N ATOM 1895 CA SER A 187 2.094 -3.419 12.033 1.00 0.34 C ATOM 1896 C SER A 187 1.800 -4.649 12.910 1.00 0.35 C ATOM 1897 O SER A 187 2.485 -5.648 12.820 1.00 0.37 O ATOM 1898 CB SER A 187 3.172 -2.562 12.710 1.00 0.40 C ATOM 1899 OG SER A 187 2.550 -1.661 13.617 1.00 1.32 O ATOM 0 H SER A 187 1.034 -1.577 11.803 1.00 0.33 H new ATOM 0 HA SER A 187 2.438 -3.773 11.061 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.881 -3.199 13.240 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.738 -2.009 11.960 1.00 0.40 H new ATOM 0 HG SER A 187 2.171 -0.906 13.120 1.00 1.32 H new ATOM 1905 N ARG A 188 0.813 -4.597 13.764 1.00 0.40 N ATOM 1906 CA ARG A 188 0.543 -5.785 14.627 1.00 0.46 C ATOM 1907 C ARG A 188 0.141 -6.970 13.747 1.00 0.42 C ATOM 1908 O ARG A 188 0.324 -8.114 14.109 1.00 0.43 O ATOM 1909 CB ARG A 188 -0.569 -5.477 15.635 1.00 0.58 C ATOM 1910 CG ARG A 188 -1.769 -4.844 14.926 1.00 1.40 C ATOM 1911 CD ARG A 188 -2.917 -4.680 15.927 1.00 1.75 C ATOM 1912 NE ARG A 188 -4.186 -4.401 15.202 1.00 2.37 N ATOM 1913 CZ ARG A 188 -5.329 -4.563 15.811 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -5.355 -4.991 17.044 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -6.443 -4.303 15.189 1.00 3.87 N ATOM 0 H ARG A 188 0.192 -3.800 13.901 1.00 0.40 H new ATOM 0 HA ARG A 188 1.448 -6.034 15.182 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -0.877 -6.394 16.138 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -0.195 -4.802 16.404 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -1.492 -3.875 14.511 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -2.085 -5.470 14.091 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -3.021 -5.585 16.525 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -2.696 -3.866 16.617 1.00 1.75 H new ATOM 0 HE ARG A 188 -4.163 -4.084 14.233 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -4.483 -5.198 17.530 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -6.248 -5.118 17.521 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -6.423 -3.972 14.224 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -7.335 -4.430 15.666 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.381 -6.705 12.581 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.765 -7.817 11.668 1.00 0.46 C ATOM 1931 C LEU A 189 0.513 -8.574 11.276 1.00 0.41 C ATOM 1932 O LEU A 189 0.483 -9.517 10.511 1.00 0.46 O ATOM 1933 CB LEU A 189 -1.469 -7.225 10.417 1.00 0.57 C ATOM 1934 CG LEU A 189 -2.788 -7.961 10.120 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -3.620 -7.145 9.131 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -2.483 -9.332 9.512 1.00 1.78 C ATOM 0 H LEU A 189 -0.558 -5.767 12.222 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.456 -8.506 12.154 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -1.669 -6.165 10.576 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -0.806 -7.298 9.555 1.00 0.57 H new ATOM 0 HG LEU A 189 -3.346 -8.088 11.048 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -4.553 -7.668 8.922 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -3.840 -6.168 9.560 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -3.061 -7.017 8.204 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -3.417 -9.853 9.302 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -1.923 -9.203 8.586 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -1.891 -9.918 10.215 1.00 1.78 H new ATOM 1948 N ALA A 190 1.634 -8.162 11.809 1.00 0.37 N ATOM 1949 CA ALA A 190 2.919 -8.846 11.490 1.00 0.42 C ATOM 1950 C ALA A 190 2.975 -10.159 12.268 1.00 0.44 C ATOM 1951 O ALA A 190 3.902 -10.934 12.139 1.00 0.53 O ATOM 1952 CB ALA A 190 4.092 -7.959 11.914 1.00 0.47 C ATOM 0 H ALA A 190 1.713 -7.377 12.455 1.00 0.37 H new ATOM 0 HA ALA A 190 2.982 -9.037 10.419 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.031 -8.461 11.680 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.044 -7.011 11.378 1.00 0.47 H new ATOM 0 HB3 ALA A 190 4.038 -7.772 12.987 1.00 0.47 H new ATOM 1958 N PHE A 191 1.978 -10.404 13.079 1.00 0.42 N ATOM 1959 CA PHE A 191 1.937 -11.662 13.890 1.00 0.51 C ATOM 1960 C PHE A 191 0.861 -12.590 13.322 1.00 0.56 C ATOM 1961 O PHE A 191 1.149 -13.573 12.668 1.00 0.96 O ATOM 1962 CB PHE A 191 1.574 -11.317 15.340 1.00 0.58 C ATOM 1963 CG PHE A 191 2.779 -10.763 16.058 1.00 1.14 C ATOM 1964 CD1 PHE A 191 3.721 -11.635 16.616 1.00 1.81 C ATOM 1965 CD2 PHE A 191 2.951 -9.380 16.174 1.00 1.98 C ATOM 1966 CE1 PHE A 191 4.836 -11.122 17.290 1.00 2.75 C ATOM 1967 CE2 PHE A 191 4.065 -8.866 16.848 1.00 2.87 C ATOM 1968 CZ PHE A 191 5.008 -9.737 17.405 1.00 3.15 C ATOM 0 H PHE A 191 1.182 -9.781 13.216 1.00 0.42 H new ATOM 0 HA PHE A 191 2.910 -12.151 13.855 1.00 0.51 H new ATOM 0 HB2 PHE A 191 0.764 -10.588 15.357 1.00 0.58 H new ATOM 0 HB3 PHE A 191 1.212 -12.207 15.854 1.00 0.58 H new ATOM 0 HD1 PHE A 191 3.588 -12.703 16.527 1.00 1.81 H new ATOM 0 HD2 PHE A 191 2.224 -8.708 15.743 1.00 1.98 H new ATOM 0 HE1 PHE A 191 5.563 -11.794 17.721 1.00 2.75 H new ATOM 0 HE2 PHE A 191 4.197 -7.798 16.938 1.00 2.87 H new ATOM 0 HZ PHE A 191 5.869 -9.341 17.924 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.378 -12.283 13.581 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.486 -13.138 13.076 1.00 0.72 C ATOM 1980 C HIS A 192 -1.675 -12.917 11.574 1.00 0.67 C ATOM 1981 O HIS A 192 -1.144 -11.989 11.000 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.780 -12.794 13.823 1.00 1.01 C ATOM 1983 CG HIS A 192 -3.050 -11.314 13.738 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -4.121 -10.804 13.023 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -2.412 -10.226 14.286 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -4.098 -9.465 13.157 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -3.077 -9.061 13.917 1.00 3.35 N ATOM 0 H HIS A 192 -0.672 -11.471 14.124 1.00 0.64 H new ATOM 0 HA HIS A 192 -1.239 -14.185 13.248 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -3.615 -13.349 13.395 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -2.698 -13.097 14.867 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -1.530 -10.269 14.908 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -4.818 -8.798 12.705 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -2.836 -8.103 14.172 1.00 3.35 H new ATOM 1995 N HIS A 193 -2.433 -13.768 10.935 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.669 -13.621 9.468 1.00 0.85 C ATOM 1997 C HIS A 193 -4.034 -14.220 9.126 1.00 0.74 C ATOM 1998 O HIS A 193 -4.178 -15.413 8.955 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.570 -14.359 8.697 1.00 1.28 C ATOM 2000 CG HIS A 193 -1.642 -14.005 7.236 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -1.444 -14.949 6.243 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -1.887 -12.820 6.584 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -1.571 -14.325 5.058 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -1.843 -13.025 5.208 1.00 3.87 N ATOM 0 H HIS A 193 -2.902 -14.563 11.368 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.650 -12.567 9.191 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -0.592 -14.092 9.097 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -1.684 -15.435 8.825 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -2.084 -11.874 7.066 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -1.466 -14.815 4.101 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -1.987 -12.333 4.473 1.00 3.87 H new ATOM 2012 N MET A 194 -5.042 -13.395 9.047 1.00 0.73 N ATOM 2013 CA MET A 194 -6.408 -13.904 8.741 1.00 0.79 C ATOM 2014 C MET A 194 -6.529 -14.256 7.254 1.00 0.75 C ATOM 2015 O MET A 194 -7.165 -15.223 6.889 1.00 0.90 O ATOM 2016 CB MET A 194 -7.434 -12.819 9.098 1.00 0.91 C ATOM 2017 CG MET A 194 -8.824 -13.442 9.246 1.00 1.47 C ATOM 2018 SD MET A 194 -8.891 -14.404 10.778 1.00 2.35 S ATOM 2019 CE MET A 194 -10.646 -14.835 10.697 1.00 2.94 C ATOM 0 H MET A 194 -4.977 -12.386 9.182 1.00 0.73 H new ATOM 0 HA MET A 194 -6.595 -14.804 9.326 1.00 0.79 H new ATOM 0 HB2 MET A 194 -7.146 -12.326 10.027 1.00 0.91 H new ATOM 0 HB3 MET A 194 -7.450 -12.053 8.323 1.00 0.91 H new ATOM 0 HG2 MET A 194 -9.585 -12.662 9.260 1.00 1.47 H new ATOM 0 HG3 MET A 194 -9.040 -14.083 8.391 1.00 1.47 H new ATOM 0 HE1 MET A 194 -10.912 -15.441 11.563 1.00 2.94 H new ATOM 0 HE2 MET A 194 -11.245 -13.924 10.694 1.00 2.94 H new ATOM 0 HE3 MET A 194 -10.840 -15.400 9.785 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.937 -13.476 6.391 1.00 0.66 N ATOM 2030 CA ALA A 195 -6.038 -13.764 4.930 1.00 0.76 C ATOM 2031 C ALA A 195 -5.718 -15.236 4.656 1.00 0.90 C ATOM 2032 O ALA A 195 -6.253 -15.837 3.742 1.00 1.11 O ATOM 2033 CB ALA A 195 -5.055 -12.871 4.167 1.00 0.82 C ATOM 0 H ALA A 195 -5.388 -12.652 6.634 1.00 0.66 H new ATOM 0 HA ALA A 195 -7.055 -13.559 4.596 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -5.127 -13.080 3.100 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -5.298 -11.824 4.349 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -4.040 -13.073 4.508 1.00 0.82 H new