USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=20 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 192 HIS : no HE2:sc= -2.84 K(o=-4.9,f=-17!) USER MOD Set 1.2: A 194 MET CE :methyl -132:sc= -2.08! (180deg=0) USER MOD Set 2.1: A 88 SER OG : rot 164:sc= 0.711 USER MOD Set 2.2: A 89 HIS : no HE2:sc= -0.0472 K(o=0.33,f=-13!) USER MOD Set 2.3: A 142 CYS SG : rot -79:sc= -0.773 USER MOD Set 2.4: A 187 SER OG : rot -25:sc= 0.439 USER MOD Set 3.1: A 135 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 102 HIS : no HD1:sc= -1.76 X(o=-2.2,f=-2.5!) USER MOD Set 4.2: A 107 GLN : amide:sc= -0.461 K(o=-2.2,f=-1.5) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -1.27! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0691) USER MOD Single : A 94 LYS NZ :NH3+ 147:sc= -0.197 (180deg=-1.02) USER MOD Single : A 103 SER OG : rot 123:sc= 0.39 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 HE2:sc= -3.36! C(o=-3.4!,f=-9.4!) USER MOD Single : A 117 THR OG1 : rot 16:sc= -1.76! USER MOD Single : A 118 GLN : amide:sc= -22.6! C(o=-23!,f=-17!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0.0647! K(o=0.065!,f=-0.97) USER MOD Single : A 126 ASN : amide:sc= -5.17! C(o=-5.2!,f=-3.7!) USER MOD Single : A 127 TYR OH : rot 180:sc= -0.342 USER MOD Single : A 128 THR OG1 : rot -175:sc= -3.94! USER MOD Single : A 138 THR OG1 : rot -177:sc= 1.3 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 193 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 18.921 -1.847 -9.249 1.00 1.04 N ATOM 275 CA VAL A 74 20.226 -2.348 -8.728 1.00 0.93 C ATOM 276 C VAL A 74 20.130 -3.889 -8.714 1.00 0.86 C ATOM 277 O VAL A 74 19.092 -4.426 -9.045 1.00 0.89 O ATOM 278 CB VAL A 74 20.438 -1.768 -7.312 1.00 1.09 C ATOM 279 CG1 VAL A 74 19.925 -0.326 -7.272 1.00 1.17 C ATOM 280 CG2 VAL A 74 19.685 -2.607 -6.267 1.00 1.38 C ATOM 0 HA VAL A 74 21.075 -2.044 -9.340 1.00 0.93 H new ATOM 0 HB VAL A 74 21.503 -1.791 -7.079 1.00 1.09 H new ATOM 0 HG11 VAL A 74 20.074 0.085 -6.274 1.00 1.17 H new ATOM 0 HG12 VAL A 74 20.473 0.275 -7.998 1.00 1.17 H new ATOM 0 HG13 VAL A 74 18.863 -0.311 -7.516 1.00 1.17 H new ATOM 0 HG21 VAL A 74 19.846 -2.183 -5.276 1.00 1.38 H new ATOM 0 HG22 VAL A 74 18.619 -2.601 -6.495 1.00 1.38 H new ATOM 0 HG23 VAL A 74 20.055 -3.632 -6.288 1.00 1.38 H new ATOM 290 N PRO A 75 21.165 -4.619 -8.355 1.00 0.93 N ATOM 291 CA PRO A 75 21.087 -6.109 -8.349 1.00 1.00 C ATOM 292 C PRO A 75 19.792 -6.588 -7.686 1.00 0.88 C ATOM 293 O PRO A 75 19.518 -6.291 -6.540 1.00 0.84 O ATOM 294 CB PRO A 75 22.331 -6.528 -7.565 1.00 1.18 C ATOM 295 CG PRO A 75 23.317 -5.443 -7.855 1.00 1.37 C ATOM 296 CD PRO A 75 22.496 -4.152 -7.916 1.00 1.13 C ATOM 0 HA PRO A 75 21.065 -6.546 -9.347 1.00 1.00 H new ATOM 0 HB2 PRO A 75 22.124 -6.606 -6.498 1.00 1.18 H new ATOM 0 HB3 PRO A 75 22.700 -7.501 -7.890 1.00 1.18 H new ATOM 0 HG2 PRO A 75 24.079 -5.387 -7.078 1.00 1.37 H new ATOM 0 HG3 PRO A 75 23.835 -5.624 -8.797 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.450 -3.658 -6.945 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.923 -3.436 -8.618 1.00 1.13 H new ATOM 304 N LEU A 76 18.976 -7.292 -8.421 1.00 0.86 N ATOM 305 CA LEU A 76 17.672 -7.759 -7.866 1.00 0.77 C ATOM 306 C LEU A 76 17.884 -8.676 -6.661 1.00 0.77 C ATOM 307 O LEU A 76 18.117 -9.859 -6.800 1.00 0.85 O ATOM 308 CB LEU A 76 16.903 -8.525 -8.946 1.00 0.84 C ATOM 309 CG LEU A 76 16.531 -7.588 -10.104 1.00 0.87 C ATOM 310 CD1 LEU A 76 15.956 -8.422 -11.255 1.00 1.01 C ATOM 311 CD2 LEU A 76 15.486 -6.549 -9.646 1.00 0.76 C ATOM 0 H LEU A 76 19.156 -7.566 -9.387 1.00 0.86 H new ATOM 0 HA LEU A 76 17.105 -6.885 -7.545 1.00 0.77 H new ATOM 0 HB2 LEU A 76 17.510 -9.350 -9.318 1.00 0.84 H new ATOM 0 HB3 LEU A 76 16.000 -8.961 -8.518 1.00 0.84 H new ATOM 0 HG LEU A 76 17.424 -7.058 -10.435 1.00 0.87 H new ATOM 0 HD11 LEU A 76 15.689 -7.765 -12.082 1.00 1.01 H new ATOM 0 HD12 LEU A 76 16.702 -9.143 -11.590 1.00 1.01 H new ATOM 0 HD13 LEU A 76 15.068 -8.952 -10.912 1.00 1.01 H new ATOM 0 HD21 LEU A 76 15.235 -5.894 -10.480 1.00 0.76 H new ATOM 0 HD22 LEU A 76 14.587 -7.063 -9.305 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.897 -5.955 -8.829 1.00 0.76 H new ATOM 323 N ARG A 77 17.767 -8.142 -5.475 1.00 0.74 N ATOM 324 CA ARG A 77 17.918 -8.983 -4.256 1.00 0.79 C ATOM 325 C ARG A 77 16.581 -9.696 -4.006 1.00 0.71 C ATOM 326 O ARG A 77 15.541 -9.196 -4.382 1.00 0.73 O ATOM 327 CB ARG A 77 18.254 -8.086 -3.057 1.00 0.85 C ATOM 328 CG ARG A 77 19.726 -7.661 -3.114 1.00 1.19 C ATOM 329 CD ARG A 77 20.124 -7.032 -1.776 1.00 1.52 C ATOM 330 NE ARG A 77 21.504 -6.481 -1.878 1.00 2.13 N ATOM 331 CZ ARG A 77 21.951 -5.667 -0.962 1.00 2.66 C ATOM 332 NH1 ARG A 77 21.193 -5.346 0.052 1.00 2.73 N ATOM 333 NH2 ARG A 77 23.157 -5.176 -1.056 1.00 3.61 N ATOM 0 H ARG A 77 17.573 -7.156 -5.299 1.00 0.74 H new ATOM 0 HA ARG A 77 18.718 -9.711 -4.389 1.00 0.79 H new ATOM 0 HB2 ARG A 77 17.612 -7.205 -3.061 1.00 0.85 H new ATOM 0 HB3 ARG A 77 18.057 -8.620 -2.127 1.00 0.85 H new ATOM 0 HG2 ARG A 77 20.358 -8.524 -3.325 1.00 1.19 H new ATOM 0 HG3 ARG A 77 19.879 -6.948 -3.924 1.00 1.19 H new ATOM 0 HD2 ARG A 77 19.423 -6.240 -1.511 1.00 1.52 H new ATOM 0 HD3 ARG A 77 20.076 -7.778 -0.983 1.00 1.52 H new ATOM 0 HE ARG A 77 22.100 -6.740 -2.664 1.00 2.13 H new ATOM 0 HH11 ARG A 77 20.252 -5.732 0.127 1.00 2.73 H new ATOM 0 HH12 ARG A 77 21.542 -4.710 0.768 1.00 2.73 H new ATOM 0 HH21 ARG A 77 23.750 -5.429 -1.846 1.00 3.61 H new ATOM 0 HH22 ARG A 77 23.506 -4.540 -0.339 1.00 3.61 H new ATOM 347 N PRO A 78 16.594 -10.848 -3.382 1.00 0.79 N ATOM 348 CA PRO A 78 15.338 -11.607 -3.101 1.00 0.76 C ATOM 349 C PRO A 78 14.494 -10.938 -2.009 1.00 0.67 C ATOM 350 O PRO A 78 14.936 -10.760 -0.892 1.00 0.69 O ATOM 351 CB PRO A 78 15.845 -12.983 -2.644 1.00 0.86 C ATOM 352 CG PRO A 78 17.197 -12.716 -2.064 1.00 1.18 C ATOM 353 CD PRO A 78 17.784 -11.560 -2.878 1.00 1.06 C ATOM 0 HA PRO A 78 14.682 -11.658 -3.970 1.00 0.76 H new ATOM 0 HB2 PRO A 78 15.177 -13.425 -1.905 1.00 0.86 H new ATOM 0 HB3 PRO A 78 15.903 -13.681 -3.479 1.00 0.86 H new ATOM 0 HG2 PRO A 78 17.124 -12.453 -1.009 1.00 1.18 H new ATOM 0 HG3 PRO A 78 17.831 -13.600 -2.129 1.00 1.18 H new ATOM 0 HD2 PRO A 78 18.407 -10.912 -2.262 1.00 1.06 H new ATOM 0 HD3 PRO A 78 18.410 -11.922 -3.694 1.00 1.06 H new ATOM 361 N MET A 79 13.280 -10.571 -2.323 1.00 0.65 N ATOM 362 CA MET A 79 12.412 -9.920 -1.302 1.00 0.61 C ATOM 363 C MET A 79 12.130 -10.926 -0.183 1.00 0.51 C ATOM 364 O MET A 79 12.149 -12.122 -0.398 1.00 0.56 O ATOM 365 CB MET A 79 11.096 -9.478 -1.955 1.00 0.66 C ATOM 366 CG MET A 79 10.375 -8.485 -1.041 1.00 0.74 C ATOM 367 SD MET A 79 11.293 -6.924 -1.001 1.00 1.25 S ATOM 368 CE MET A 79 9.962 -5.894 -0.337 1.00 0.83 C ATOM 0 H MET A 79 12.853 -10.694 -3.241 1.00 0.65 H new ATOM 0 HA MET A 79 12.911 -9.044 -0.889 1.00 0.61 H new ATOM 0 HB2 MET A 79 11.296 -9.018 -2.923 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.461 -10.345 -2.139 1.00 0.66 H new ATOM 0 HG2 MET A 79 9.361 -8.313 -1.401 1.00 0.74 H new ATOM 0 HG3 MET A 79 10.291 -8.896 -0.035 1.00 0.74 H new ATOM 0 HE1 MET A 79 10.315 -4.869 -0.228 1.00 0.83 H new ATOM 0 HE2 MET A 79 9.111 -5.915 -1.018 1.00 0.83 H new ATOM 0 HE3 MET A 79 9.656 -6.277 0.636 1.00 0.83 H new ATOM 378 N THR A 80 11.885 -10.452 1.014 1.00 0.56 N ATOM 379 CA THR A 80 11.618 -11.379 2.162 1.00 0.60 C ATOM 380 C THR A 80 10.380 -10.937 2.920 1.00 0.56 C ATOM 381 O THR A 80 10.090 -9.765 3.024 1.00 0.50 O ATOM 382 CB THR A 80 12.823 -11.376 3.112 1.00 0.77 C ATOM 383 OG1 THR A 80 12.760 -10.237 3.959 1.00 0.94 O ATOM 384 CG2 THR A 80 14.116 -11.334 2.295 1.00 0.73 C ATOM 0 H THR A 80 11.858 -9.460 1.248 1.00 0.56 H new ATOM 0 HA THR A 80 11.455 -12.384 1.773 1.00 0.60 H new ATOM 0 HB THR A 80 12.806 -12.280 3.721 1.00 0.77 H new ATOM 0 HG1 THR A 80 13.529 -10.238 4.566 1.00 0.94 H new ATOM 0 HG21 THR A 80 14.972 -11.332 2.969 1.00 0.73 H new ATOM 0 HG22 THR A 80 14.166 -12.210 1.648 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.132 -10.431 1.685 1.00 0.73 H new ATOM 392 N TYR A 81 9.651 -11.873 3.483 1.00 0.61 N ATOM 393 CA TYR A 81 8.448 -11.490 4.273 1.00 0.60 C ATOM 394 C TYR A 81 8.923 -10.425 5.256 1.00 0.51 C ATOM 395 O TYR A 81 8.325 -9.381 5.420 1.00 0.45 O ATOM 396 CB TYR A 81 7.893 -12.748 4.997 1.00 0.69 C ATOM 397 CG TYR A 81 7.994 -12.622 6.507 1.00 0.60 C ATOM 398 CD1 TYR A 81 6.948 -12.040 7.234 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.137 -13.083 7.173 1.00 0.71 C ATOM 400 CE1 TYR A 81 7.046 -11.919 8.625 1.00 0.66 C ATOM 401 CE2 TYR A 81 9.233 -12.962 8.564 1.00 0.77 C ATOM 402 CZ TYR A 81 8.188 -12.379 9.290 1.00 0.73 C ATOM 403 OH TYR A 81 8.283 -12.258 10.662 1.00 0.90 O ATOM 0 H TYR A 81 9.838 -12.874 3.428 1.00 0.61 H new ATOM 0 HA TYR A 81 7.638 -11.099 3.657 1.00 0.60 H new ATOM 0 HB2 TYR A 81 6.851 -12.900 4.714 1.00 0.69 H new ATOM 0 HB3 TYR A 81 8.444 -13.629 4.668 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.066 -11.685 6.722 1.00 0.59 H new ATOM 0 HD2 TYR A 81 9.944 -13.532 6.613 1.00 0.71 H new ATOM 0 HE1 TYR A 81 6.239 -11.470 9.186 1.00 0.66 H new ATOM 0 HE2 TYR A 81 10.114 -13.319 9.077 1.00 0.77 H new ATOM 0 HH TYR A 81 9.139 -12.628 10.965 1.00 0.90 H new ATOM 413 N LYS A 82 10.043 -10.689 5.866 1.00 0.52 N ATOM 414 CA LYS A 82 10.628 -9.706 6.797 1.00 0.48 C ATOM 415 C LYS A 82 10.913 -8.424 6.013 1.00 0.40 C ATOM 416 O LYS A 82 10.854 -7.337 6.553 1.00 0.38 O ATOM 417 CB LYS A 82 11.930 -10.259 7.386 1.00 0.55 C ATOM 418 CG LYS A 82 12.300 -9.463 8.641 1.00 0.60 C ATOM 419 CD LYS A 82 13.755 -9.749 9.025 1.00 0.92 C ATOM 420 CE LYS A 82 13.980 -11.262 9.143 1.00 1.49 C ATOM 421 NZ LYS A 82 15.149 -11.517 10.031 1.00 2.32 N ATOM 0 H LYS A 82 10.577 -11.551 5.754 1.00 0.52 H new ATOM 0 HA LYS A 82 9.938 -9.502 7.616 1.00 0.48 H new ATOM 0 HB2 LYS A 82 11.811 -11.314 7.633 1.00 0.55 H new ATOM 0 HB3 LYS A 82 12.732 -10.193 6.650 1.00 0.55 H new ATOM 0 HG2 LYS A 82 12.165 -8.397 8.460 1.00 0.60 H new ATOM 0 HG3 LYS A 82 11.637 -9.733 9.463 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.426 -9.331 8.275 1.00 0.92 H new ATOM 0 HD3 LYS A 82 13.992 -9.263 9.971 1.00 0.92 H new ATOM 0 HE2 LYS A 82 13.090 -11.743 9.547 1.00 1.49 H new ATOM 0 HE3 LYS A 82 14.156 -11.693 8.158 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 15.305 -12.542 10.114 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 15.996 -11.069 9.627 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 14.963 -11.118 10.973 1.00 2.32 H new ATOM 435 N ALA A 83 11.215 -8.529 4.733 1.00 0.42 N ATOM 436 CA ALA A 83 11.484 -7.280 3.959 1.00 0.41 C ATOM 437 C ALA A 83 10.207 -6.439 3.924 1.00 0.35 C ATOM 438 O ALA A 83 10.240 -5.234 4.071 1.00 0.34 O ATOM 439 CB ALA A 83 11.913 -7.611 2.529 1.00 0.52 C ATOM 0 H ALA A 83 11.284 -9.402 4.209 1.00 0.42 H new ATOM 0 HA ALA A 83 12.290 -6.728 4.442 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.104 -6.687 1.983 1.00 0.52 H new ATOM 0 HB2 ALA A 83 12.821 -8.213 2.552 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.120 -8.169 2.031 1.00 0.52 H new ATOM 445 N ALA A 84 9.079 -7.069 3.732 1.00 0.34 N ATOM 446 CA ALA A 84 7.800 -6.309 3.694 1.00 0.31 C ATOM 447 C ALA A 84 7.555 -5.658 5.056 1.00 0.28 C ATOM 448 O ALA A 84 7.276 -4.480 5.150 1.00 0.28 O ATOM 449 CB ALA A 84 6.647 -7.261 3.367 1.00 0.34 C ATOM 0 H ALA A 84 8.990 -8.076 3.600 1.00 0.34 H new ATOM 0 HA ALA A 84 7.859 -5.537 2.927 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.711 -6.703 3.340 1.00 0.34 H new ATOM 0 HB2 ALA A 84 6.822 -7.724 2.396 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.586 -8.035 4.132 1.00 0.34 H new ATOM 455 N VAL A 85 7.658 -6.417 6.115 1.00 0.29 N ATOM 456 CA VAL A 85 7.429 -5.838 7.470 1.00 0.29 C ATOM 457 C VAL A 85 8.483 -4.768 7.738 1.00 0.29 C ATOM 458 O VAL A 85 8.187 -3.702 8.242 1.00 0.30 O ATOM 459 CB VAL A 85 7.532 -6.934 8.540 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.030 -6.389 9.878 1.00 0.37 C ATOM 461 CG2 VAL A 85 6.674 -8.138 8.144 1.00 0.38 C ATOM 0 H VAL A 85 7.890 -7.410 6.100 1.00 0.29 H new ATOM 0 HA VAL A 85 6.432 -5.399 7.509 1.00 0.29 H new ATOM 0 HB VAL A 85 8.574 -7.243 8.628 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.103 -7.167 10.638 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.638 -5.534 10.174 1.00 0.37 H new ATOM 0 HG13 VAL A 85 5.991 -6.077 9.777 1.00 0.37 H new ATOM 0 HG21 VAL A 85 6.754 -8.910 8.910 1.00 0.38 H new ATOM 0 HG22 VAL A 85 5.633 -7.828 8.049 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.022 -8.535 7.191 1.00 0.38 H new ATOM 471 N ASP A 86 9.713 -5.032 7.395 1.00 0.30 N ATOM 472 CA ASP A 86 10.771 -4.014 7.622 1.00 0.32 C ATOM 473 C ASP A 86 10.410 -2.772 6.813 1.00 0.30 C ATOM 474 O ASP A 86 10.395 -1.667 7.320 1.00 0.31 O ATOM 475 CB ASP A 86 12.122 -4.562 7.152 1.00 0.36 C ATOM 476 CG ASP A 86 12.559 -5.702 8.073 1.00 0.42 C ATOM 477 OD1 ASP A 86 11.760 -6.108 8.901 1.00 1.23 O ATOM 478 OD2 ASP A 86 13.685 -6.150 7.936 1.00 1.05 O ATOM 0 H ASP A 86 10.028 -5.904 6.970 1.00 0.30 H new ATOM 0 HA ASP A 86 10.843 -3.769 8.682 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.044 -4.920 6.125 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.870 -3.769 7.157 1.00 0.36 H new ATOM 483 N LEU A 87 10.101 -2.950 5.558 1.00 0.29 N ATOM 484 CA LEU A 87 9.718 -1.789 4.711 1.00 0.30 C ATOM 485 C LEU A 87 8.443 -1.153 5.271 1.00 0.29 C ATOM 486 O LEU A 87 8.310 0.053 5.311 1.00 0.30 O ATOM 487 CB LEU A 87 9.468 -2.267 3.276 1.00 0.33 C ATOM 488 CG LEU A 87 9.312 -1.058 2.331 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.687 -0.505 1.930 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.562 -1.491 1.066 1.00 0.44 C ATOM 0 H LEU A 87 10.098 -3.853 5.083 1.00 0.29 H new ATOM 0 HA LEU A 87 10.521 -1.052 4.712 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.296 -2.893 2.944 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.569 -2.883 3.242 1.00 0.33 H new ATOM 0 HG LEU A 87 8.753 -0.281 2.852 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.556 0.347 1.263 1.00 0.52 H new ATOM 0 HD12 LEU A 87 11.226 -0.188 2.823 1.00 0.52 H new ATOM 0 HD13 LEU A 87 11.256 -1.281 1.419 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.452 -0.637 0.398 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.124 -2.276 0.561 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.576 -1.868 1.339 1.00 0.44 H new ATOM 502 N SER A 88 7.498 -1.952 5.702 1.00 0.30 N ATOM 503 CA SER A 88 6.239 -1.375 6.251 1.00 0.34 C ATOM 504 C SER A 88 6.574 -0.345 7.333 1.00 0.33 C ATOM 505 O SER A 88 6.023 0.737 7.363 1.00 0.36 O ATOM 506 CB SER A 88 5.387 -2.490 6.860 1.00 0.40 C ATOM 507 OG SER A 88 5.784 -2.696 8.210 1.00 0.44 O ATOM 0 H SER A 88 7.546 -2.971 5.696 1.00 0.30 H new ATOM 0 HA SER A 88 5.685 -0.891 5.447 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.331 -2.223 6.815 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.508 -3.410 6.288 1.00 0.40 H new ATOM 0 HG SER A 88 5.094 -3.210 8.679 1.00 0.44 H new ATOM 513 N HIS A 89 7.465 -0.676 8.227 1.00 0.34 N ATOM 514 CA HIS A 89 7.823 0.283 9.312 1.00 0.36 C ATOM 515 C HIS A 89 8.672 1.421 8.747 1.00 0.36 C ATOM 516 O HIS A 89 8.609 2.540 9.215 1.00 0.41 O ATOM 517 CB HIS A 89 8.613 -0.448 10.399 1.00 0.41 C ATOM 518 CG HIS A 89 7.702 -1.393 11.133 1.00 0.52 C ATOM 519 ND1 HIS A 89 6.892 -2.302 10.471 1.00 1.43 N ATOM 520 CD2 HIS A 89 7.462 -1.583 12.471 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.209 -2.991 11.404 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.520 -2.592 12.641 1.00 0.82 N ATOM 0 H HIS A 89 7.960 -1.567 8.254 1.00 0.34 H new ATOM 0 HA HIS A 89 6.908 0.696 9.737 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.442 -0.998 9.953 1.00 0.41 H new ATOM 0 HB3 HIS A 89 9.045 0.271 11.095 1.00 0.41 H new ATOM 0 HD1 HIS A 89 6.826 -2.426 9.461 1.00 1.43 H new ATOM 0 HD2 HIS A 89 7.934 -1.032 13.271 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.496 -3.771 11.180 1.00 1.27 H new ATOM 530 N PHE A 90 9.466 1.153 7.749 1.00 0.34 N ATOM 531 CA PHE A 90 10.307 2.236 7.175 1.00 0.37 C ATOM 532 C PHE A 90 9.399 3.386 6.739 1.00 0.40 C ATOM 533 O PHE A 90 9.529 4.503 7.199 1.00 0.47 O ATOM 534 CB PHE A 90 11.076 1.699 5.965 1.00 0.38 C ATOM 535 CG PHE A 90 12.052 2.745 5.484 1.00 0.47 C ATOM 536 CD1 PHE A 90 11.651 3.693 4.536 1.00 0.59 C ATOM 537 CD2 PHE A 90 13.359 2.766 5.986 1.00 0.57 C ATOM 538 CE1 PHE A 90 12.556 4.663 4.089 1.00 0.70 C ATOM 539 CE2 PHE A 90 14.264 3.736 5.540 1.00 0.69 C ATOM 540 CZ PHE A 90 13.862 4.685 4.591 1.00 0.72 C ATOM 0 H PHE A 90 9.568 0.238 7.310 1.00 0.34 H new ATOM 0 HA PHE A 90 11.018 2.590 7.921 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.608 0.787 6.235 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.382 1.439 5.166 1.00 0.38 H new ATOM 0 HD1 PHE A 90 10.643 3.676 4.149 1.00 0.59 H new ATOM 0 HD2 PHE A 90 13.669 2.034 6.717 1.00 0.57 H new ATOM 0 HE1 PHE A 90 12.246 5.394 3.357 1.00 0.70 H new ATOM 0 HE2 PHE A 90 15.272 3.753 5.927 1.00 0.69 H new ATOM 0 HZ PHE A 90 14.560 5.434 4.247 1.00 0.72 H new ATOM 550 N LEU A 91 8.475 3.118 5.860 1.00 0.37 N ATOM 551 CA LEU A 91 7.550 4.188 5.397 1.00 0.42 C ATOM 552 C LEU A 91 6.736 4.720 6.583 1.00 0.47 C ATOM 553 O LEU A 91 6.275 5.842 6.572 1.00 0.57 O ATOM 554 CB LEU A 91 6.599 3.613 4.341 1.00 0.41 C ATOM 555 CG LEU A 91 7.401 3.142 3.110 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.601 2.086 2.343 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.686 4.326 2.175 1.00 0.54 C ATOM 0 H LEU A 91 8.320 2.201 5.441 1.00 0.37 H new ATOM 0 HA LEU A 91 8.129 5.004 4.965 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.038 2.778 4.761 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.872 4.369 4.044 1.00 0.41 H new ATOM 0 HG LEU A 91 8.344 2.717 3.454 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.172 1.757 1.475 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.406 1.234 2.994 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.655 2.515 2.014 1.00 0.42 H new ATOM 0 HD21 LEU A 91 8.252 3.979 1.311 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.744 4.761 1.841 1.00 0.54 H new ATOM 0 HD23 LEU A 91 8.264 5.080 2.709 1.00 0.54 H new ATOM 569 N LYS A 92 6.544 3.924 7.604 1.00 0.45 N ATOM 570 CA LYS A 92 5.746 4.393 8.775 1.00 0.53 C ATOM 571 C LYS A 92 6.439 5.588 9.441 1.00 0.63 C ATOM 572 O LYS A 92 5.821 6.351 10.158 1.00 0.85 O ATOM 573 CB LYS A 92 5.615 3.248 9.784 1.00 0.54 C ATOM 574 CG LYS A 92 4.539 3.583 10.822 1.00 0.73 C ATOM 575 CD LYS A 92 4.662 2.629 12.011 1.00 1.20 C ATOM 576 CE LYS A 92 3.605 2.975 13.062 1.00 1.61 C ATOM 577 NZ LYS A 92 4.016 4.204 13.797 1.00 2.27 N ATOM 0 H LYS A 92 6.904 2.973 7.677 1.00 0.45 H new ATOM 0 HA LYS A 92 4.757 4.703 8.436 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.357 2.324 9.266 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.571 3.079 10.280 1.00 0.54 H new ATOM 0 HG2 LYS A 92 4.650 4.614 11.157 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.549 3.498 10.375 1.00 0.73 H new ATOM 0 HD2 LYS A 92 4.534 1.599 11.678 1.00 1.20 H new ATOM 0 HD3 LYS A 92 5.659 2.702 12.446 1.00 1.20 H new ATOM 0 HE2 LYS A 92 2.639 3.132 12.583 1.00 1.61 H new ATOM 0 HE3 LYS A 92 3.485 2.145 13.759 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 3.381 4.353 14.607 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 4.992 4.095 14.138 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 3.962 5.024 13.160 1.00 2.27 H new ATOM 591 N GLU A 93 7.711 5.764 9.219 1.00 0.62 N ATOM 592 CA GLU A 93 8.417 6.910 9.852 1.00 0.76 C ATOM 593 C GLU A 93 7.990 8.215 9.185 1.00 0.77 C ATOM 594 O GLU A 93 7.137 8.929 9.674 1.00 1.05 O ATOM 595 CB GLU A 93 9.927 6.729 9.692 1.00 0.94 C ATOM 596 CG GLU A 93 10.374 5.479 10.453 1.00 1.22 C ATOM 597 CD GLU A 93 11.799 5.108 10.035 1.00 2.00 C ATOM 598 OE1 GLU A 93 11.950 4.509 8.983 1.00 2.73 O ATOM 599 OE2 GLU A 93 12.714 5.430 10.774 1.00 2.54 O ATOM 0 H GLU A 93 8.290 5.166 8.629 1.00 0.62 H new ATOM 0 HA GLU A 93 8.162 6.947 10.911 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.183 6.636 8.637 1.00 0.94 H new ATOM 0 HB3 GLU A 93 10.451 7.606 10.072 1.00 0.94 H new ATOM 0 HG2 GLU A 93 10.335 5.661 11.527 1.00 1.22 H new ATOM 0 HG3 GLU A 93 9.696 4.652 10.245 1.00 1.22 H new ATOM 606 N LYS A 94 8.592 8.534 8.076 1.00 0.80 N ATOM 607 CA LYS A 94 8.249 9.800 7.364 1.00 1.02 C ATOM 608 C LYS A 94 6.992 9.597 6.504 1.00 0.96 C ATOM 609 O LYS A 94 5.909 10.016 6.863 1.00 1.41 O ATOM 610 CB LYS A 94 9.445 10.228 6.485 1.00 1.39 C ATOM 611 CG LYS A 94 10.250 8.987 6.061 1.00 1.63 C ATOM 612 CD LYS A 94 11.104 9.304 4.827 1.00 2.18 C ATOM 613 CE LYS A 94 12.199 10.307 5.198 1.00 2.61 C ATOM 614 NZ LYS A 94 12.981 9.789 6.357 1.00 2.96 N ATOM 0 H LYS A 94 9.313 7.970 7.627 1.00 0.80 H new ATOM 0 HA LYS A 94 8.041 10.585 8.091 1.00 1.02 H new ATOM 0 HB2 LYS A 94 9.088 10.760 5.603 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.085 10.917 7.036 1.00 1.39 H new ATOM 0 HG2 LYS A 94 10.890 8.662 6.881 1.00 1.63 H new ATOM 0 HG3 LYS A 94 9.572 8.163 5.841 1.00 1.63 H new ATOM 0 HD2 LYS A 94 11.552 8.389 4.439 1.00 2.18 H new ATOM 0 HD3 LYS A 94 10.477 9.713 4.035 1.00 2.18 H new ATOM 0 HE2 LYS A 94 12.859 10.472 4.346 1.00 2.61 H new ATOM 0 HE3 LYS A 94 11.754 11.270 5.448 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 13.970 10.099 6.275 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 12.575 10.156 7.241 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 12.944 8.750 6.364 1.00 2.96 H new ATOM 628 N GLY A 95 7.135 8.968 5.368 1.00 1.12 N ATOM 629 CA GLY A 95 5.965 8.745 4.468 1.00 1.51 C ATOM 630 C GLY A 95 4.743 8.291 5.278 1.00 1.10 C ATOM 631 O GLY A 95 4.581 7.121 5.561 1.00 1.71 O ATOM 0 H GLY A 95 8.019 8.596 5.022 1.00 1.12 H new ATOM 0 HA2 GLY A 95 5.732 9.664 3.931 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.213 7.992 3.719 1.00 1.51 H new ATOM 635 N GLY A 96 3.865 9.194 5.636 1.00 1.17 N ATOM 636 CA GLY A 96 2.654 8.786 6.402 1.00 0.99 C ATOM 637 C GLY A 96 1.601 8.256 5.422 1.00 0.81 C ATOM 638 O GLY A 96 0.643 8.932 5.102 1.00 0.83 O ATOM 0 H GLY A 96 3.936 10.191 5.431 1.00 1.17 H new ATOM 0 HA2 GLY A 96 2.911 8.018 7.131 1.00 0.99 H new ATOM 0 HA3 GLY A 96 2.257 9.635 6.959 1.00 0.99 H new ATOM 642 N LEU A 97 1.775 7.055 4.935 1.00 0.67 N ATOM 643 CA LEU A 97 0.789 6.486 3.969 1.00 0.55 C ATOM 644 C LEU A 97 -0.432 5.971 4.736 1.00 0.46 C ATOM 645 O LEU A 97 -1.517 5.862 4.198 1.00 0.49 O ATOM 646 CB LEU A 97 1.449 5.327 3.205 1.00 0.54 C ATOM 647 CG LEU A 97 0.500 4.768 2.134 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.275 5.805 1.019 1.00 0.65 C ATOM 649 CD2 LEU A 97 1.119 3.498 1.538 1.00 0.66 C ATOM 0 H LEU A 97 2.558 6.443 5.165 1.00 0.67 H new ATOM 0 HA LEU A 97 0.472 7.254 3.264 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.370 5.673 2.736 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.724 4.536 3.902 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.462 4.538 2.591 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.400 5.392 0.269 1.00 0.65 H new ATOM 0 HD12 LEU A 97 -0.164 6.707 1.445 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.229 6.051 0.553 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.454 3.092 0.776 1.00 0.66 H new ATOM 0 HD22 LEU A 97 2.082 3.739 1.088 1.00 0.66 H new ATOM 0 HD23 LEU A 97 1.262 2.759 2.326 1.00 0.66 H new ATOM 661 N GLU A 98 -0.261 5.648 5.986 1.00 0.44 N ATOM 662 CA GLU A 98 -1.402 5.132 6.794 1.00 0.40 C ATOM 663 C GLU A 98 -2.598 6.085 6.701 1.00 0.40 C ATOM 664 O GLU A 98 -2.454 7.286 6.594 1.00 0.58 O ATOM 665 CB GLU A 98 -0.965 4.997 8.260 1.00 0.49 C ATOM 666 CG GLU A 98 -2.185 4.751 9.158 1.00 0.48 C ATOM 667 CD GLU A 98 -1.722 4.277 10.537 1.00 1.26 C ATOM 668 OE1 GLU A 98 -0.602 4.588 10.903 1.00 1.94 O ATOM 669 OE2 GLU A 98 -2.497 3.611 11.203 1.00 2.03 O ATOM 0 H GLU A 98 0.625 5.719 6.487 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.700 4.158 6.405 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.258 4.174 8.362 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.448 5.902 8.577 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.768 5.667 9.254 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.837 4.004 8.706 1.00 0.48 H new ATOM 676 N GLY A 99 -3.777 5.538 6.777 1.00 0.39 N ATOM 677 CA GLY A 99 -5.015 6.367 6.735 1.00 0.42 C ATOM 678 C GLY A 99 -5.083 7.212 5.460 1.00 0.42 C ATOM 679 O GLY A 99 -6.049 7.911 5.231 1.00 0.46 O ATOM 0 H GLY A 99 -3.939 4.535 6.868 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.890 5.719 6.790 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -5.046 7.020 7.607 1.00 0.42 H new ATOM 683 N LEU A 100 -4.085 7.163 4.621 1.00 0.41 N ATOM 684 CA LEU A 100 -4.146 7.980 3.372 1.00 0.43 C ATOM 685 C LEU A 100 -5.145 7.328 2.408 1.00 0.42 C ATOM 686 O LEU A 100 -5.010 6.176 2.045 1.00 0.44 O ATOM 687 CB LEU A 100 -2.749 8.058 2.729 1.00 0.45 C ATOM 688 CG LEU A 100 -2.626 9.332 1.862 1.00 0.55 C ATOM 689 CD1 LEU A 100 -2.200 10.523 2.730 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.573 9.117 0.768 1.00 1.17 C ATOM 0 H LEU A 100 -3.241 6.602 4.741 1.00 0.41 H new ATOM 0 HA LEU A 100 -4.473 8.994 3.603 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.984 8.063 3.505 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.574 7.174 2.115 1.00 0.45 H new ATOM 0 HG LEU A 100 -3.596 9.538 1.409 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -2.117 11.415 2.109 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.945 10.691 3.508 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -1.235 10.311 3.191 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -1.491 10.018 0.160 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.609 8.900 1.228 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.870 8.279 0.137 1.00 1.17 H new ATOM 702 N ILE A 101 -6.163 8.046 2.013 1.00 0.44 N ATOM 703 CA ILE A 101 -7.184 7.454 1.103 1.00 0.45 C ATOM 704 C ILE A 101 -6.549 7.042 -0.238 1.00 0.46 C ATOM 705 O ILE A 101 -6.242 7.862 -1.079 1.00 0.49 O ATOM 706 CB ILE A 101 -8.342 8.458 0.907 1.00 0.50 C ATOM 707 CG1 ILE A 101 -9.298 8.390 2.124 1.00 0.51 C ATOM 708 CG2 ILE A 101 -9.122 8.151 -0.378 1.00 0.54 C ATOM 709 CD1 ILE A 101 -10.270 7.190 2.021 1.00 0.52 C ATOM 0 H ILE A 101 -6.331 9.016 2.281 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.589 6.548 1.553 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.921 9.460 0.823 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.715 8.308 3.041 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.869 9.316 2.191 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.932 8.872 -0.493 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.452 8.218 -1.235 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.537 7.145 -0.320 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.924 7.176 2.893 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.872 7.286 1.117 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.700 6.262 1.981 1.00 0.52 H new ATOM 721 N HIS A 102 -6.371 5.756 -0.429 1.00 0.47 N ATOM 722 CA HIS A 102 -5.782 5.232 -1.695 1.00 0.51 C ATOM 723 C HIS A 102 -6.767 5.465 -2.847 1.00 0.58 C ATOM 724 O HIS A 102 -7.772 4.776 -2.969 1.00 0.64 O ATOM 725 CB HIS A 102 -5.497 3.721 -1.535 1.00 0.57 C ATOM 726 CG HIS A 102 -5.370 3.052 -2.881 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.045 1.880 -3.187 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.662 3.380 -4.007 1.00 0.64 C ATOM 729 CE1 HIS A 102 -5.732 1.550 -4.452 1.00 1.36 C ATOM 730 NE2 HIS A 102 -4.891 2.432 -4.999 1.00 0.70 N ATOM 0 H HIS A 102 -6.615 5.038 0.253 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.849 5.751 -1.915 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.579 3.578 -0.965 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.301 3.253 -0.966 1.00 0.57 H new ATOM 0 HD2 HIS A 102 -4.022 4.244 -4.109 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -6.114 0.679 -4.963 1.00 1.36 H new ATOM 0 HE2 HIS A 102 -4.501 2.414 -5.941 1.00 0.70 H new ATOM 738 N SER A 103 -6.474 6.418 -3.695 1.00 0.60 N ATOM 739 CA SER A 103 -7.364 6.697 -4.855 1.00 0.69 C ATOM 740 C SER A 103 -7.263 5.541 -5.851 1.00 0.76 C ATOM 741 O SER A 103 -8.122 4.683 -5.916 1.00 0.85 O ATOM 742 CB SER A 103 -6.927 7.996 -5.534 1.00 0.74 C ATOM 743 OG SER A 103 -5.520 7.968 -5.742 1.00 1.49 O ATOM 0 H SER A 103 -5.651 7.017 -3.630 1.00 0.60 H new ATOM 0 HA SER A 103 -8.394 6.799 -4.512 1.00 0.69 H new ATOM 0 HB2 SER A 103 -7.445 8.114 -6.486 1.00 0.74 H new ATOM 0 HB3 SER A 103 -7.198 8.852 -4.916 1.00 0.74 H new ATOM 0 HG SER A 103 -5.328 8.090 -6.695 1.00 1.49 H new ATOM 749 N GLN A 104 -6.211 5.512 -6.626 1.00 0.81 N ATOM 750 CA GLN A 104 -6.032 4.415 -7.619 1.00 0.92 C ATOM 751 C GLN A 104 -4.639 4.527 -8.244 1.00 0.93 C ATOM 752 O GLN A 104 -3.907 3.562 -8.332 1.00 1.37 O ATOM 753 CB GLN A 104 -7.092 4.536 -8.717 1.00 1.06 C ATOM 754 CG GLN A 104 -7.102 3.258 -9.559 1.00 1.76 C ATOM 755 CD GLN A 104 -8.204 3.350 -10.616 1.00 2.14 C ATOM 756 OE1 GLN A 104 -7.926 3.427 -11.795 1.00 2.64 O ATOM 757 NE2 GLN A 104 -9.454 3.343 -10.239 1.00 2.70 N ATOM 0 H GLN A 104 -5.464 6.206 -6.613 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.138 3.451 -7.121 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -8.074 4.699 -8.273 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -6.880 5.399 -9.349 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -6.134 3.119 -10.040 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -7.268 2.391 -8.920 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -9.688 3.278 -9.248 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -10.197 3.402 -10.935 1.00 2.70 H new ATOM 766 N ARG A 105 -4.271 5.703 -8.677 1.00 0.83 N ATOM 767 CA ARG A 105 -2.926 5.892 -9.296 1.00 0.87 C ATOM 768 C ARG A 105 -1.887 6.124 -8.195 1.00 0.74 C ATOM 769 O ARG A 105 -0.716 5.835 -8.359 1.00 0.70 O ATOM 770 CB ARG A 105 -2.972 7.108 -10.225 1.00 1.06 C ATOM 771 CG ARG A 105 -1.629 7.266 -10.939 1.00 1.71 C ATOM 772 CD ARG A 105 -1.688 8.478 -11.870 1.00 1.99 C ATOM 773 NE ARG A 105 -0.308 8.857 -12.283 1.00 2.86 N ATOM 774 CZ ARG A 105 -0.126 9.659 -13.295 1.00 3.60 C ATOM 775 NH1 ARG A 105 -1.154 10.141 -13.940 1.00 3.73 N ATOM 776 NH2 ARG A 105 1.084 9.983 -13.660 1.00 4.61 N ATOM 0 H ARG A 105 -4.846 6.544 -8.629 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.652 5.005 -9.867 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -3.771 6.988 -10.956 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -3.197 8.007 -9.651 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -0.829 7.393 -10.209 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -1.400 6.366 -11.510 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -2.291 8.246 -12.748 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -2.170 9.315 -11.364 1.00 1.99 H new ATOM 0 HE ARG A 105 0.495 8.489 -11.774 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -2.100 9.890 -13.652 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -1.011 10.768 -14.731 1.00 3.73 H new ATOM 0 HH21 ARG A 105 1.887 9.609 -13.154 1.00 4.61 H new ATOM 0 HH22 ARG A 105 1.227 10.610 -14.451 1.00 4.61 H new ATOM 790 N ARG A 106 -2.306 6.640 -7.071 1.00 0.71 N ATOM 791 CA ARG A 106 -1.344 6.888 -5.961 1.00 0.65 C ATOM 792 C ARG A 106 -0.621 5.582 -5.620 1.00 0.54 C ATOM 793 O ARG A 106 0.509 5.586 -5.173 1.00 0.50 O ATOM 794 CB ARG A 106 -2.104 7.388 -4.726 1.00 0.70 C ATOM 795 CG ARG A 106 -2.447 8.877 -4.888 1.00 1.01 C ATOM 796 CD ARG A 106 -3.093 9.417 -3.598 1.00 1.24 C ATOM 797 NE ARG A 106 -4.168 10.401 -3.944 1.00 1.86 N ATOM 798 CZ ARG A 106 -3.952 11.372 -4.792 1.00 2.48 C ATOM 799 NH1 ARG A 106 -2.749 11.607 -5.238 1.00 2.86 N ATOM 800 NH2 ARG A 106 -4.939 12.144 -5.158 1.00 3.29 N ATOM 0 H ARG A 106 -3.272 6.900 -6.874 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.618 7.641 -6.268 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -3.017 6.808 -4.591 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.498 7.241 -3.832 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -1.544 9.443 -5.116 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -3.128 9.012 -5.728 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -3.512 8.595 -3.018 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -2.337 9.894 -2.974 1.00 1.24 H new ATOM 0 HE ARG A 106 -5.086 10.312 -3.509 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -1.968 11.031 -4.925 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -2.590 12.367 -5.900 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -5.874 11.988 -4.782 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -4.775 12.903 -5.819 1.00 3.29 H new ATOM 814 N GLN A 107 -1.262 4.465 -5.831 1.00 0.55 N ATOM 815 CA GLN A 107 -0.608 3.164 -5.518 1.00 0.52 C ATOM 816 C GLN A 107 0.624 2.992 -6.409 1.00 0.49 C ATOM 817 O GLN A 107 1.653 2.513 -5.975 1.00 0.44 O ATOM 818 CB GLN A 107 -1.593 2.021 -5.779 1.00 0.63 C ATOM 819 CG GLN A 107 -0.977 0.696 -5.321 1.00 1.11 C ATOM 820 CD GLN A 107 -2.069 -0.371 -5.233 1.00 1.53 C ATOM 821 OE1 GLN A 107 -1.959 -1.422 -5.833 1.00 2.13 O ATOM 822 NE2 GLN A 107 -3.128 -0.146 -4.503 1.00 2.12 N ATOM 0 H GLN A 107 -2.208 4.397 -6.206 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.306 3.148 -4.471 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.526 2.203 -5.246 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -1.836 1.973 -6.840 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.202 0.382 -6.021 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -0.498 0.822 -4.350 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -3.222 0.736 -3.999 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -3.861 -0.852 -4.437 1.00 2.12 H new ATOM 831 N ASP A 108 0.530 3.384 -7.651 1.00 0.56 N ATOM 832 CA ASP A 108 1.700 3.247 -8.562 1.00 0.59 C ATOM 833 C ASP A 108 2.881 4.031 -7.986 1.00 0.54 C ATOM 834 O ASP A 108 3.980 3.527 -7.879 1.00 0.54 O ATOM 835 CB ASP A 108 1.343 3.803 -9.942 1.00 0.72 C ATOM 836 CG ASP A 108 0.195 2.988 -10.541 1.00 0.81 C ATOM 837 OD1 ASP A 108 0.478 2.006 -11.207 1.00 1.33 O ATOM 838 OD2 ASP A 108 -0.946 3.359 -10.324 1.00 1.42 O ATOM 0 H ASP A 108 -0.305 3.792 -8.072 1.00 0.56 H new ATOM 0 HA ASP A 108 1.969 2.195 -8.656 1.00 0.59 H new ATOM 0 HB2 ASP A 108 1.055 4.851 -9.860 1.00 0.72 H new ATOM 0 HB3 ASP A 108 2.213 3.762 -10.598 1.00 0.72 H new ATOM 843 N ILE A 109 2.660 5.263 -7.609 1.00 0.55 N ATOM 844 CA ILE A 109 3.772 6.079 -7.036 1.00 0.54 C ATOM 845 C ILE A 109 4.504 5.265 -5.967 1.00 0.47 C ATOM 846 O ILE A 109 5.715 5.179 -5.961 1.00 0.53 O ATOM 847 CB ILE A 109 3.200 7.351 -6.400 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.319 8.096 -7.415 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.345 8.259 -5.948 1.00 0.63 C ATOM 850 CD1 ILE A 109 3.082 8.323 -8.726 1.00 1.47 C ATOM 0 H ILE A 109 1.760 5.739 -7.673 1.00 0.55 H new ATOM 0 HA ILE A 109 4.468 6.349 -7.830 1.00 0.54 H new ATOM 0 HB ILE A 109 2.593 7.076 -5.537 1.00 0.59 H new ATOM 0 HG12 ILE A 109 1.413 7.522 -7.610 1.00 0.70 H new ATOM 0 HG13 ILE A 109 2.006 9.054 -6.999 1.00 0.70 H new ATOM 0 HG21 ILE A 109 3.936 9.163 -5.496 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.959 7.734 -5.217 1.00 0.63 H new ATOM 0 HG23 ILE A 109 4.957 8.529 -6.809 1.00 0.63 H new ATOM 0 HD11 ILE A 109 2.442 8.852 -9.432 1.00 1.47 H new ATOM 0 HD12 ILE A 109 3.974 8.917 -8.529 1.00 1.47 H new ATOM 0 HD13 ILE A 109 3.372 7.361 -9.149 1.00 1.47 H new ATOM 862 N LEU A 110 3.779 4.669 -5.062 1.00 0.43 N ATOM 863 CA LEU A 110 4.434 3.862 -3.996 1.00 0.39 C ATOM 864 C LEU A 110 5.327 2.799 -4.644 1.00 0.38 C ATOM 865 O LEU A 110 6.537 2.845 -4.547 1.00 0.38 O ATOM 866 CB LEU A 110 3.355 3.185 -3.142 1.00 0.42 C ATOM 867 CG LEU A 110 3.992 2.243 -2.108 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.999 3.014 -1.240 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.887 1.662 -1.218 1.00 0.66 C ATOM 0 H LEU A 110 2.761 4.706 -5.015 1.00 0.43 H new ATOM 0 HA LEU A 110 5.044 4.507 -3.363 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.759 3.942 -2.633 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.676 2.623 -3.783 1.00 0.42 H new ATOM 0 HG LEU A 110 4.517 1.439 -2.624 1.00 0.44 H new ATOM 0 HD11 LEU A 110 5.444 2.337 -0.511 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.782 3.430 -1.874 1.00 0.56 H new ATOM 0 HD13 LEU A 110 4.486 3.822 -0.719 1.00 0.56 H new ATOM 0 HD21 LEU A 110 3.329 0.992 -0.480 1.00 0.66 H new ATOM 0 HD22 LEU A 110 2.368 2.473 -0.707 1.00 0.66 H new ATOM 0 HD23 LEU A 110 2.178 1.108 -1.833 1.00 0.66 H new ATOM 881 N ASP A 111 4.736 1.841 -5.302 1.00 0.40 N ATOM 882 CA ASP A 111 5.539 0.766 -5.954 1.00 0.42 C ATOM 883 C ASP A 111 6.648 1.384 -6.810 1.00 0.43 C ATOM 884 O ASP A 111 7.734 0.846 -6.915 1.00 0.42 O ATOM 885 CB ASP A 111 4.625 -0.078 -6.845 1.00 0.50 C ATOM 886 CG ASP A 111 3.461 -0.620 -6.014 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.500 -0.468 -4.804 1.00 1.30 O ATOM 888 OD2 ASP A 111 2.550 -1.180 -6.602 1.00 1.19 O ATOM 0 H ASP A 111 3.726 1.755 -5.417 1.00 0.40 H new ATOM 0 HA ASP A 111 5.989 0.140 -5.184 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.247 0.525 -7.671 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.187 -0.902 -7.284 1.00 0.50 H new ATOM 893 N LEU A 112 6.385 2.500 -7.431 1.00 0.48 N ATOM 894 CA LEU A 112 7.425 3.138 -8.290 1.00 0.52 C ATOM 895 C LEU A 112 8.608 3.586 -7.426 1.00 0.48 C ATOM 896 O LEU A 112 9.727 3.160 -7.630 1.00 0.47 O ATOM 897 CB LEU A 112 6.808 4.347 -9.016 1.00 0.60 C ATOM 898 CG LEU A 112 7.586 4.660 -10.303 1.00 0.70 C ATOM 899 CD1 LEU A 112 6.824 5.715 -11.108 1.00 1.45 C ATOM 900 CD2 LEU A 112 8.983 5.194 -9.956 1.00 1.26 C ATOM 0 H LEU A 112 5.496 2.998 -7.382 1.00 0.48 H new ATOM 0 HA LEU A 112 7.784 2.420 -9.027 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.765 4.140 -9.256 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.817 5.216 -8.359 1.00 0.60 H new ATOM 0 HG LEU A 112 7.689 3.748 -10.891 1.00 0.70 H new ATOM 0 HD11 LEU A 112 7.372 5.941 -12.023 1.00 1.45 H new ATOM 0 HD12 LEU A 112 5.835 5.334 -11.362 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.721 6.623 -10.513 1.00 1.45 H new ATOM 0 HD21 LEU A 112 9.527 5.413 -10.875 1.00 1.26 H new ATOM 0 HD22 LEU A 112 8.888 6.105 -9.365 1.00 1.26 H new ATOM 0 HD23 LEU A 112 9.527 4.444 -9.382 1.00 1.26 H new ATOM 912 N TRP A 113 8.379 4.438 -6.464 1.00 0.48 N ATOM 913 CA TRP A 113 9.507 4.896 -5.602 1.00 0.48 C ATOM 914 C TRP A 113 10.266 3.674 -5.087 1.00 0.43 C ATOM 915 O TRP A 113 11.477 3.620 -5.134 1.00 0.45 O ATOM 916 CB TRP A 113 8.957 5.710 -4.426 1.00 0.52 C ATOM 917 CG TRP A 113 10.063 6.054 -3.475 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.927 7.087 -3.624 1.00 0.66 C ATOM 919 CD2 TRP A 113 10.430 5.392 -2.230 1.00 0.55 C ATOM 920 NE1 TRP A 113 11.799 7.097 -2.550 1.00 0.70 N ATOM 921 CE2 TRP A 113 11.534 6.072 -1.664 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.918 4.277 -1.545 1.00 0.51 C ATOM 923 CZ2 TRP A 113 12.109 5.659 -0.461 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.492 3.858 -0.335 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.586 4.548 0.208 1.00 0.67 C ATOM 0 H TRP A 113 7.467 4.835 -6.238 1.00 0.48 H new ATOM 0 HA TRP A 113 10.184 5.526 -6.179 1.00 0.48 H new ATOM 0 HB2 TRP A 113 8.486 6.622 -4.794 1.00 0.52 H new ATOM 0 HB3 TRP A 113 8.186 5.140 -3.908 1.00 0.52 H new ATOM 0 HD1 TRP A 113 10.934 7.787 -4.446 1.00 0.66 H new ATOM 0 HE1 TRP A 113 12.547 7.779 -2.428 1.00 0.70 H new ATOM 0 HE3 TRP A 113 9.076 3.738 -1.953 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.952 6.194 -0.050 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 10.089 2.999 0.181 1.00 0.58 H new ATOM 0 HH2 TRP A 113 12.023 4.222 1.140 1.00 0.67 H new ATOM 936 N ILE A 114 9.566 2.681 -4.614 1.00 0.39 N ATOM 937 CA ILE A 114 10.260 1.461 -4.120 1.00 0.37 C ATOM 938 C ILE A 114 11.083 0.862 -5.265 1.00 0.39 C ATOM 939 O ILE A 114 12.090 0.218 -5.051 1.00 0.44 O ATOM 940 CB ILE A 114 9.229 0.431 -3.643 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.376 1.045 -2.527 1.00 0.37 C ATOM 942 CG2 ILE A 114 9.959 -0.807 -3.116 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.262 0.076 -2.120 1.00 1.00 C ATOM 0 H ILE A 114 8.548 2.662 -4.548 1.00 0.39 H new ATOM 0 HA ILE A 114 10.912 1.724 -3.287 1.00 0.37 H new ATOM 0 HB ILE A 114 8.583 0.144 -4.473 1.00 0.37 H new ATOM 0 HG12 ILE A 114 9.002 1.274 -1.665 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.944 1.986 -2.866 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.230 -1.542 -2.776 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.565 -1.239 -3.913 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.603 -0.523 -2.284 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.663 0.523 -1.327 1.00 1.00 H new ATOM 0 HD12 ILE A 114 6.627 -0.131 -2.981 1.00 1.00 H new ATOM 0 HD13 ILE A 114 7.702 -0.855 -1.762 1.00 1.00 H new ATOM 955 N TYR A 115 10.645 1.055 -6.479 1.00 0.40 N ATOM 956 CA TYR A 115 11.383 0.486 -7.642 1.00 0.46 C ATOM 957 C TYR A 115 12.744 1.180 -7.832 1.00 0.51 C ATOM 958 O TYR A 115 13.785 0.581 -7.646 1.00 0.54 O ATOM 959 CB TYR A 115 10.531 0.657 -8.905 1.00 0.53 C ATOM 960 CG TYR A 115 10.996 -0.302 -9.983 1.00 0.59 C ATOM 961 CD1 TYR A 115 10.880 -1.688 -9.791 1.00 0.56 C ATOM 962 CD2 TYR A 115 11.538 0.193 -11.177 1.00 0.74 C ATOM 963 CE1 TYR A 115 11.307 -2.571 -10.790 1.00 0.65 C ATOM 964 CE2 TYR A 115 11.964 -0.693 -12.174 1.00 0.82 C ATOM 965 CZ TYR A 115 11.848 -2.073 -11.980 1.00 0.77 C ATOM 966 OH TYR A 115 12.268 -2.945 -12.965 1.00 0.87 O ATOM 0 H TYR A 115 9.806 1.584 -6.716 1.00 0.40 H new ATOM 0 HA TYR A 115 11.570 -0.571 -7.455 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.482 0.474 -8.673 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.603 1.683 -9.265 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.461 -2.073 -8.873 1.00 0.56 H new ATOM 0 HD2 TYR A 115 11.627 1.259 -11.328 1.00 0.74 H new ATOM 0 HE1 TYR A 115 11.219 -3.637 -10.642 1.00 0.65 H new ATOM 0 HE2 TYR A 115 12.382 -0.310 -13.093 1.00 0.82 H new ATOM 0 HH TYR A 115 12.617 -2.435 -13.726 1.00 0.87 H new ATOM 976 N HIS A 116 12.745 2.426 -8.234 1.00 0.58 N ATOM 977 CA HIS A 116 14.041 3.142 -8.476 1.00 0.67 C ATOM 978 C HIS A 116 14.853 3.291 -7.180 1.00 0.67 C ATOM 979 O HIS A 116 15.822 4.024 -7.143 1.00 0.81 O ATOM 980 CB HIS A 116 13.754 4.526 -9.077 1.00 0.79 C ATOM 981 CG HIS A 116 13.244 5.467 -8.016 1.00 1.20 C ATOM 982 ND1 HIS A 116 14.007 5.819 -6.912 1.00 1.99 N ATOM 983 CD2 HIS A 116 12.058 6.145 -7.882 1.00 2.05 C ATOM 984 CE1 HIS A 116 13.278 6.672 -6.171 1.00 2.71 C ATOM 985 NE2 HIS A 116 12.081 6.905 -6.716 1.00 2.74 N ATOM 0 H HIS A 116 11.906 2.981 -8.406 1.00 0.58 H new ATOM 0 HA HIS A 116 14.634 2.550 -9.173 1.00 0.67 H new ATOM 0 HB2 HIS A 116 14.662 4.930 -9.524 1.00 0.79 H new ATOM 0 HB3 HIS A 116 13.018 4.436 -9.876 1.00 0.79 H new ATOM 0 HD1 HIS A 116 14.949 5.491 -6.701 1.00 1.99 H new ATOM 0 HD2 HIS A 116 11.232 6.096 -8.576 1.00 2.05 H new ATOM 0 HE1 HIS A 116 13.619 7.115 -5.247 1.00 2.71 H new ATOM 993 N THR A 117 14.477 2.617 -6.121 1.00 0.63 N ATOM 994 CA THR A 117 15.245 2.742 -4.834 1.00 0.68 C ATOM 995 C THR A 117 16.161 1.528 -4.647 1.00 0.66 C ATOM 996 O THR A 117 17.254 1.477 -5.175 1.00 0.73 O ATOM 997 CB THR A 117 14.260 2.828 -3.659 1.00 0.80 C ATOM 998 OG1 THR A 117 13.206 1.901 -3.857 1.00 0.85 O ATOM 999 CG2 THR A 117 13.681 4.246 -3.566 1.00 0.91 C ATOM 0 H THR A 117 13.675 1.987 -6.088 1.00 0.63 H new ATOM 0 HA THR A 117 15.855 3.644 -4.869 1.00 0.68 H new ATOM 0 HB THR A 117 14.786 2.593 -2.733 1.00 0.80 H new ATOM 0 HG1 THR A 117 13.469 1.247 -4.538 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.983 4.300 -2.730 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.490 4.960 -3.410 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.158 4.487 -4.492 1.00 0.91 H new ATOM 1007 N GLN A 118 15.731 0.555 -3.888 1.00 0.73 N ATOM 1008 CA GLN A 118 16.588 -0.644 -3.655 1.00 0.83 C ATOM 1009 C GLN A 118 16.488 -1.589 -4.853 1.00 0.72 C ATOM 1010 O GLN A 118 17.170 -2.591 -4.922 1.00 0.91 O ATOM 1011 CB GLN A 118 16.120 -1.359 -2.381 1.00 1.06 C ATOM 1012 CG GLN A 118 17.001 -2.598 -2.098 1.00 1.48 C ATOM 1013 CD GLN A 118 16.410 -3.849 -2.766 1.00 2.12 C ATOM 1014 OE1 GLN A 118 16.826 -4.954 -2.480 1.00 2.89 O ATOM 1015 NE2 GLN A 118 15.453 -3.724 -3.646 1.00 2.13 N ATOM 0 H GLN A 118 14.825 0.539 -3.420 1.00 0.73 H new ATOM 0 HA GLN A 118 17.627 -0.336 -3.535 1.00 0.83 H new ATOM 0 HB2 GLN A 118 16.165 -0.673 -1.535 1.00 1.06 H new ATOM 0 HB3 GLN A 118 15.079 -1.663 -2.490 1.00 1.06 H new ATOM 0 HG2 GLN A 118 18.011 -2.424 -2.469 1.00 1.48 H new ATOM 0 HG3 GLN A 118 17.079 -2.757 -1.022 1.00 1.48 H new ATOM 0 HE21 GLN A 118 15.101 -2.798 -3.889 1.00 2.13 H new ATOM 0 HE22 GLN A 118 15.058 -4.552 -4.091 1.00 2.13 H new ATOM 1024 N GLY A 119 15.658 -1.270 -5.806 1.00 0.86 N ATOM 1025 CA GLY A 119 15.532 -2.143 -7.008 1.00 0.85 C ATOM 1026 C GLY A 119 14.689 -3.380 -6.690 1.00 0.65 C ATOM 1027 O GLY A 119 14.872 -4.427 -7.280 1.00 0.67 O ATOM 0 H GLY A 119 15.061 -0.443 -5.805 1.00 0.86 H new ATOM 0 HA2 GLY A 119 15.074 -1.584 -7.824 1.00 0.85 H new ATOM 0 HA3 GLY A 119 16.522 -2.448 -7.348 1.00 0.85 H new ATOM 1031 N TYR A 120 13.755 -3.280 -5.783 1.00 0.54 N ATOM 1032 CA TYR A 120 12.911 -4.469 -5.474 1.00 0.44 C ATOM 1033 C TYR A 120 11.940 -4.678 -6.636 1.00 0.49 C ATOM 1034 O TYR A 120 11.260 -3.766 -7.064 1.00 0.70 O ATOM 1035 CB TYR A 120 12.119 -4.239 -4.180 1.00 0.48 C ATOM 1036 CG TYR A 120 12.989 -4.531 -2.972 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.473 -5.828 -2.758 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.304 -3.508 -2.068 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.274 -6.101 -1.641 1.00 0.71 C ATOM 1040 CE2 TYR A 120 14.104 -3.783 -0.952 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.588 -5.078 -0.738 1.00 0.75 C ATOM 1042 OH TYR A 120 15.377 -5.348 0.362 1.00 0.91 O ATOM 0 H TYR A 120 13.542 -2.438 -5.249 1.00 0.54 H new ATOM 0 HA TYR A 120 13.544 -5.346 -5.340 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.764 -3.209 -4.141 1.00 0.48 H new ATOM 0 HB3 TYR A 120 11.238 -4.880 -4.166 1.00 0.48 H new ATOM 0 HD1 TYR A 120 13.229 -6.617 -3.454 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.930 -2.508 -2.232 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.649 -7.100 -1.477 1.00 0.71 H new ATOM 0 HE2 TYR A 120 14.348 -2.994 -0.256 1.00 0.71 H new ATOM 0 HH TYR A 120 15.500 -4.529 0.885 1.00 0.91 H new ATOM 1052 N PHE A 121 11.873 -5.869 -7.152 1.00 0.48 N ATOM 1053 CA PHE A 121 10.952 -6.135 -8.292 1.00 0.57 C ATOM 1054 C PHE A 121 9.513 -6.260 -7.754 1.00 0.55 C ATOM 1055 O PHE A 121 9.296 -6.869 -6.725 1.00 0.59 O ATOM 1056 CB PHE A 121 11.367 -7.447 -8.972 1.00 0.68 C ATOM 1057 CG PHE A 121 10.803 -7.502 -10.374 1.00 1.42 C ATOM 1058 CD1 PHE A 121 11.378 -6.725 -11.388 1.00 2.32 C ATOM 1059 CD2 PHE A 121 9.712 -8.331 -10.663 1.00 2.33 C ATOM 1060 CE1 PHE A 121 10.860 -6.775 -12.687 1.00 3.44 C ATOM 1061 CE2 PHE A 121 9.194 -8.380 -11.962 1.00 3.43 C ATOM 1062 CZ PHE A 121 9.769 -7.603 -12.975 1.00 3.85 C ATOM 0 H PHE A 121 12.416 -6.672 -6.835 1.00 0.48 H new ATOM 0 HA PHE A 121 11.000 -5.320 -9.014 1.00 0.57 H new ATOM 0 HB2 PHE A 121 12.454 -7.521 -9.005 1.00 0.68 H new ATOM 0 HB3 PHE A 121 11.007 -8.297 -8.392 1.00 0.68 H new ATOM 0 HD1 PHE A 121 12.221 -6.087 -11.167 1.00 2.32 H new ATOM 0 HD2 PHE A 121 9.270 -8.933 -9.883 1.00 2.33 H new ATOM 0 HE1 PHE A 121 11.302 -6.174 -13.468 1.00 3.44 H new ATOM 0 HE2 PHE A 121 8.351 -9.017 -12.183 1.00 3.43 H new ATOM 0 HZ PHE A 121 9.371 -7.643 -13.978 1.00 3.85 H new ATOM 1072 N PRO A 122 8.532 -5.693 -8.425 1.00 0.64 N ATOM 1073 CA PRO A 122 7.115 -5.769 -7.962 1.00 0.67 C ATOM 1074 C PRO A 122 6.488 -7.145 -8.213 1.00 0.73 C ATOM 1075 O PRO A 122 5.932 -7.410 -9.261 1.00 1.19 O ATOM 1076 CB PRO A 122 6.413 -4.687 -8.791 1.00 0.80 C ATOM 1077 CG PRO A 122 7.191 -4.629 -10.064 1.00 1.05 C ATOM 1078 CD PRO A 122 8.646 -4.922 -9.681 1.00 0.87 C ATOM 0 HA PRO A 122 7.028 -5.619 -6.886 1.00 0.67 H new ATOM 0 HB2 PRO A 122 5.369 -4.942 -8.975 1.00 0.80 H new ATOM 0 HB3 PRO A 122 6.420 -3.726 -8.277 1.00 0.80 H new ATOM 0 HG2 PRO A 122 6.821 -5.361 -10.782 1.00 1.05 H new ATOM 0 HG3 PRO A 122 7.100 -3.649 -10.533 1.00 1.05 H new ATOM 0 HD2 PRO A 122 9.156 -5.494 -10.456 1.00 0.87 H new ATOM 0 HD3 PRO A 122 9.214 -4.003 -9.536 1.00 0.87 H new ATOM 1086 N ASP A 123 6.563 -8.010 -7.244 1.00 0.56 N ATOM 1087 CA ASP A 123 5.968 -9.369 -7.385 1.00 0.64 C ATOM 1088 C ASP A 123 5.609 -9.868 -5.989 1.00 0.58 C ATOM 1089 O ASP A 123 5.392 -11.043 -5.764 1.00 0.65 O ATOM 1090 CB ASP A 123 6.980 -10.316 -8.034 1.00 0.74 C ATOM 1091 CG ASP A 123 8.267 -10.338 -7.207 1.00 0.77 C ATOM 1092 OD1 ASP A 123 8.306 -11.066 -6.229 1.00 1.27 O ATOM 1093 OD2 ASP A 123 9.190 -9.627 -7.566 1.00 1.38 O ATOM 0 H ASP A 123 7.017 -7.833 -6.348 1.00 0.56 H new ATOM 0 HA ASP A 123 5.080 -9.332 -8.016 1.00 0.64 H new ATOM 0 HB2 ASP A 123 6.562 -11.320 -8.101 1.00 0.74 H new ATOM 0 HB3 ASP A 123 7.196 -9.992 -9.052 1.00 0.74 H new ATOM 1098 N TRP A 124 5.544 -8.960 -5.048 1.00 0.53 N ATOM 1099 CA TRP A 124 5.199 -9.317 -3.641 1.00 0.52 C ATOM 1100 C TRP A 124 3.871 -8.665 -3.291 1.00 0.51 C ATOM 1101 O TRP A 124 3.174 -9.069 -2.382 1.00 0.55 O ATOM 1102 CB TRP A 124 6.285 -8.769 -2.718 1.00 0.49 C ATOM 1103 CG TRP A 124 6.436 -7.304 -2.975 1.00 0.43 C ATOM 1104 CD1 TRP A 124 7.254 -6.753 -3.905 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.752 -6.193 -2.326 1.00 0.42 C ATOM 1106 NE1 TRP A 124 7.121 -5.378 -3.858 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.207 -4.984 -2.902 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.793 -6.120 -1.299 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.726 -3.745 -2.476 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.307 -4.874 -0.869 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.773 -3.690 -1.457 1.00 0.55 C ATOM 0 H TRP A 124 5.719 -7.967 -5.201 1.00 0.53 H new ATOM 0 HA TRP A 124 5.126 -10.399 -3.527 1.00 0.52 H new ATOM 0 HB2 TRP A 124 6.019 -8.945 -1.676 1.00 0.49 H new ATOM 0 HB3 TRP A 124 7.229 -9.284 -2.897 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.903 -7.299 -4.573 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.636 -4.733 -4.457 1.00 0.42 H new ATOM 0 HE3 TRP A 124 4.429 -7.027 -0.839 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.088 -2.835 -2.931 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 3.570 -4.828 -0.081 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.395 -2.735 -1.122 1.00 0.55 H new ATOM 1122 N GLN A 125 3.528 -7.659 -4.023 1.00 0.53 N ATOM 1123 CA GLN A 125 2.247 -6.943 -3.775 1.00 0.60 C ATOM 1124 C GLN A 125 1.091 -7.766 -4.345 1.00 0.66 C ATOM 1125 O GLN A 125 1.068 -8.101 -5.513 1.00 0.84 O ATOM 1126 CB GLN A 125 2.284 -5.564 -4.443 1.00 0.69 C ATOM 1127 CG GLN A 125 2.579 -5.714 -5.941 1.00 1.56 C ATOM 1128 CD GLN A 125 3.010 -4.364 -6.516 1.00 2.18 C ATOM 1129 OE1 GLN A 125 4.173 -4.016 -6.475 1.00 2.78 O ATOM 1130 NE2 GLN A 125 2.113 -3.585 -7.055 1.00 2.82 N ATOM 0 H GLN A 125 4.083 -7.291 -4.796 1.00 0.53 H new ATOM 0 HA GLN A 125 2.105 -6.811 -2.702 1.00 0.60 H new ATOM 0 HB2 GLN A 125 1.330 -5.056 -4.301 1.00 0.69 H new ATOM 0 HB3 GLN A 125 3.048 -4.944 -3.974 1.00 0.69 H new ATOM 0 HG2 GLN A 125 3.364 -6.454 -6.095 1.00 1.56 H new ATOM 0 HG3 GLN A 125 1.693 -6.077 -6.462 1.00 1.56 H new ATOM 0 HE21 GLN A 125 1.137 -3.878 -7.089 1.00 2.82 H new ATOM 0 HE22 GLN A 125 2.388 -2.682 -7.443 1.00 2.82 H new ATOM 1139 N ASN A 126 0.132 -8.095 -3.529 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.023 -8.897 -4.021 1.00 0.72 C ATOM 1141 C ASN A 126 -2.206 -8.700 -3.074 1.00 0.69 C ATOM 1142 O ASN A 126 -2.037 -8.394 -1.910 1.00 1.22 O ATOM 1143 CB ASN A 126 -0.630 -10.376 -4.069 1.00 0.84 C ATOM 1144 CG ASN A 126 0.302 -10.616 -5.261 1.00 0.89 C ATOM 1145 OD1 ASN A 126 -0.144 -10.977 -6.331 1.00 1.53 O ATOM 1146 ND2 ASN A 126 1.588 -10.429 -5.120 1.00 0.88 N ATOM 0 H ASN A 126 0.097 -7.844 -2.541 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.304 -8.571 -5.023 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -0.134 -10.662 -3.142 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -1.521 -10.998 -4.159 1.00 0.84 H new ATOM 0 HD21 ASN A 126 2.216 -10.586 -5.908 1.00 0.88 H new ATOM 0 HD22 ASN A 126 1.964 -10.126 -4.222 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.407 -8.864 -3.563 1.00 0.69 N ATOM 1154 CA TYR A 127 -4.609 -8.674 -2.693 1.00 0.61 C ATOM 1155 C TYR A 127 -5.818 -9.343 -3.361 1.00 0.63 C ATOM 1156 O TYR A 127 -5.767 -9.733 -4.510 1.00 0.75 O ATOM 1157 CB TYR A 127 -4.913 -7.165 -2.502 1.00 0.65 C ATOM 1158 CG TYR A 127 -3.643 -6.344 -2.556 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -3.049 -6.057 -3.793 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -3.063 -5.866 -1.374 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -1.876 -5.295 -3.846 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -1.889 -5.104 -1.429 1.00 1.19 C ATOM 1163 CZ TYR A 127 -1.296 -4.819 -2.663 1.00 1.23 C ATOM 1164 OH TYR A 127 -0.139 -4.068 -2.716 1.00 1.48 O ATOM 0 H TYR A 127 -3.609 -9.122 -4.529 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.412 -9.121 -1.718 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -5.601 -6.828 -3.277 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -5.410 -7.009 -1.545 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -3.496 -6.424 -4.705 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -3.521 -6.085 -0.421 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -1.418 -5.074 -4.799 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -1.441 -4.736 -0.518 1.00 1.19 H new ATOM 0 HH TYR A 127 0.130 -3.816 -1.808 1.00 1.48 H new ATOM 1174 N THR A 128 -6.907 -9.465 -2.652 1.00 0.62 N ATOM 1175 CA THR A 128 -8.124 -10.096 -3.251 1.00 0.68 C ATOM 1176 C THR A 128 -8.580 -9.213 -4.436 1.00 0.75 C ATOM 1177 O THR A 128 -7.850 -8.331 -4.835 1.00 0.97 O ATOM 1178 CB THR A 128 -9.209 -10.199 -2.162 1.00 0.86 C ATOM 1179 OG1 THR A 128 -10.048 -9.062 -2.221 1.00 1.22 O ATOM 1180 CG2 THR A 128 -8.558 -10.266 -0.778 1.00 0.90 C ATOM 0 H THR A 128 -7.009 -9.156 -1.685 1.00 0.62 H new ATOM 0 HA THR A 128 -7.923 -11.101 -3.621 1.00 0.68 H new ATOM 0 HB THR A 128 -9.795 -11.102 -2.332 1.00 0.86 H new ATOM 0 HG1 THR A 128 -10.689 -9.089 -1.480 1.00 1.22 H new ATOM 0 HG21 THR A 128 -9.333 -10.339 -0.015 1.00 0.90 H new ATOM 0 HG22 THR A 128 -7.911 -11.141 -0.722 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.967 -9.366 -0.610 1.00 0.90 H new ATOM 1249 N ARG A 134 -10.324 -5.219 1.391 1.00 0.51 N ATOM 1250 CA ARG A 134 -9.292 -5.948 0.599 1.00 0.49 C ATOM 1251 C ARG A 134 -8.063 -6.260 1.466 1.00 0.40 C ATOM 1252 O ARG A 134 -7.312 -5.382 1.850 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.891 -5.087 -0.616 1.00 0.58 C ATOM 1254 CG ARG A 134 -8.470 -5.982 -1.804 1.00 1.06 C ATOM 1255 CD ARG A 134 -9.667 -6.260 -2.727 1.00 1.37 C ATOM 1256 NE ARG A 134 -10.795 -6.839 -1.939 1.00 1.86 N ATOM 1257 CZ ARG A 134 -11.972 -6.980 -2.478 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -12.155 -6.671 -3.727 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -12.961 -7.451 -1.772 1.00 3.36 N ATOM 0 HA ARG A 134 -9.705 -6.896 0.254 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -9.727 -4.453 -0.910 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -8.069 -4.425 -0.344 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -7.675 -5.495 -2.368 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -8.066 -6.923 -1.431 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -9.986 -5.337 -3.210 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -9.374 -6.949 -3.519 1.00 1.37 H new ATOM 0 HE ARG A 134 -10.643 -7.126 -0.972 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -11.377 -6.318 -4.284 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -13.077 -6.781 -4.150 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -12.813 -7.710 -0.796 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -13.883 -7.561 -2.195 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.861 -7.521 1.761 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.690 -7.942 2.588 1.00 0.39 C ATOM 1275 C TYR A 135 -5.531 -8.343 1.658 1.00 0.36 C ATOM 1276 O TYR A 135 -5.756 -8.752 0.534 1.00 0.39 O ATOM 1277 CB TYR A 135 -7.095 -9.152 3.444 1.00 0.46 C ATOM 1278 CG TYR A 135 -7.892 -8.693 4.647 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.154 -8.114 4.470 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -7.369 -8.848 5.940 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -9.895 -7.693 5.583 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -8.110 -8.425 7.050 1.00 0.85 C ATOM 1283 CZ TYR A 135 -9.372 -7.848 6.873 1.00 0.92 C ATOM 1284 OH TYR A 135 -10.101 -7.433 7.967 1.00 1.17 O ATOM 0 H TYR A 135 -8.466 -8.285 1.460 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.375 -7.121 3.232 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.687 -9.847 2.849 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.205 -9.690 3.771 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.557 -7.992 3.476 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -6.395 -9.294 6.079 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -10.870 -7.249 5.446 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -7.707 -8.544 8.045 1.00 0.85 H new ATOM 0 HH TYR A 135 -9.594 -7.614 8.786 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.300 -8.253 2.119 1.00 0.37 N ATOM 1295 CA PRO A 136 -3.110 -8.643 1.303 1.00 0.38 C ATOM 1296 C PRO A 136 -2.879 -10.161 1.315 1.00 0.37 C ATOM 1297 O PRO A 136 -2.696 -10.759 2.356 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.961 -7.919 2.009 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.366 -7.907 3.447 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.894 -7.765 3.456 1.00 0.44 C ATOM 0 HA PRO A 136 -3.219 -8.379 0.251 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -1.014 -8.440 1.866 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.830 -6.908 1.623 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -2.057 -8.825 3.947 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.894 -7.080 3.978 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.346 -8.356 4.252 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.199 -6.731 3.614 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.880 -10.788 0.168 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.657 -12.262 0.129 1.00 0.43 C ATOM 1310 C LEU A 137 -1.247 -12.579 0.638 1.00 0.41 C ATOM 1311 O LEU A 137 -1.058 -13.446 1.469 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.802 -12.775 -1.309 1.00 0.51 C ATOM 1313 CG LEU A 137 -4.287 -12.830 -1.706 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -4.401 -13.148 -3.206 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -5.039 -13.898 -0.866 1.00 0.92 C ATOM 0 H LEU A 137 -3.025 -10.345 -0.739 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.397 -12.751 0.763 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -2.259 -12.122 -1.992 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.358 -13.767 -1.396 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.746 -11.862 -1.507 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -5.452 -13.188 -3.491 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.898 -12.371 -3.782 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.933 -14.111 -3.410 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -6.088 -13.921 -1.162 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -4.592 -14.877 -1.038 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.966 -13.646 0.192 1.00 0.92 H new ATOM 1327 N THR A 138 -0.254 -11.889 0.143 1.00 0.50 N ATOM 1328 CA THR A 138 1.140 -12.162 0.597 1.00 0.55 C ATOM 1329 C THR A 138 1.268 -11.829 2.085 1.00 0.47 C ATOM 1330 O THR A 138 0.522 -11.036 2.625 1.00 0.50 O ATOM 1331 CB THR A 138 2.125 -11.312 -0.224 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.526 -10.059 -0.527 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.475 -12.039 -1.526 1.00 1.04 C ATOM 0 H THR A 138 -0.348 -11.150 -0.554 1.00 0.50 H new ATOM 0 HA THR A 138 1.373 -13.216 0.448 1.00 0.55 H new ATOM 0 HB THR A 138 3.035 -11.153 0.354 1.00 0.73 H new ATOM 0 HG1 THR A 138 2.135 -9.532 -1.085 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.173 -11.434 -2.105 1.00 1.04 H new ATOM 0 HG22 THR A 138 2.934 -13.000 -1.294 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.567 -12.202 -2.107 1.00 1.04 H new ATOM 1341 N PHE A 139 2.204 -12.449 2.750 1.00 0.51 N ATOM 1342 CA PHE A 139 2.395 -12.207 4.214 1.00 0.49 C ATOM 1343 C PHE A 139 3.524 -11.194 4.440 1.00 0.65 C ATOM 1344 O PHE A 139 4.370 -10.989 3.594 1.00 1.43 O ATOM 1345 CB PHE A 139 2.762 -13.538 4.878 1.00 0.52 C ATOM 1346 CG PHE A 139 2.857 -13.371 6.381 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.723 -13.008 7.119 1.00 0.67 C ATOM 1348 CD2 PHE A 139 4.076 -13.591 7.039 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.808 -12.866 8.508 1.00 0.77 C ATOM 1350 CE2 PHE A 139 4.158 -13.447 8.429 1.00 0.62 C ATOM 1351 CZ PHE A 139 3.024 -13.085 9.162 1.00 0.66 C ATOM 0 H PHE A 139 2.853 -13.121 2.340 1.00 0.51 H new ATOM 0 HA PHE A 139 1.477 -11.807 4.644 1.00 0.49 H new ATOM 0 HB2 PHE A 139 2.012 -14.291 4.636 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.713 -13.898 4.485 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.783 -12.838 6.615 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.952 -13.872 6.473 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.933 -12.587 9.076 1.00 0.77 H new ATOM 0 HE2 PHE A 139 5.097 -13.616 8.935 1.00 0.62 H new ATOM 0 HZ PHE A 139 3.087 -12.974 10.234 1.00 0.66 H new ATOM 1361 N GLY A 140 3.544 -10.562 5.587 1.00 0.46 N ATOM 1362 CA GLY A 140 4.619 -9.569 5.892 1.00 0.43 C ATOM 1363 C GLY A 140 4.110 -8.152 5.626 1.00 0.35 C ATOM 1364 O GLY A 140 4.393 -7.229 6.364 1.00 0.32 O ATOM 0 H GLY A 140 2.857 -10.692 6.330 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.929 -9.664 6.933 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.497 -9.771 5.278 1.00 0.43 H new ATOM 1368 N TRP A 141 3.366 -7.971 4.576 1.00 0.34 N ATOM 1369 CA TRP A 141 2.842 -6.608 4.256 1.00 0.29 C ATOM 1370 C TRP A 141 1.660 -6.300 5.176 1.00 0.32 C ATOM 1371 O TRP A 141 0.540 -6.702 4.931 1.00 0.40 O ATOM 1372 CB TRP A 141 2.423 -6.581 2.782 1.00 0.33 C ATOM 1373 CG TRP A 141 2.159 -5.185 2.286 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.049 -4.833 1.598 1.00 0.35 C ATOM 1375 CD2 TRP A 141 2.979 -3.966 2.383 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.125 -3.495 1.265 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.287 -2.915 1.726 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.232 -3.659 2.965 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.810 -1.624 1.647 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.756 -2.357 2.884 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.047 -1.344 2.227 1.00 0.33 C ATOM 0 H TRP A 141 3.095 -8.705 3.922 1.00 0.34 H new ATOM 0 HA TRP A 141 3.606 -5.847 4.416 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.206 -7.037 2.176 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.526 -7.186 2.651 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.232 -5.494 1.348 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.407 -2.996 0.740 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.790 -4.431 3.475 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.260 -0.846 1.139 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.713 -2.136 3.332 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.458 -0.347 2.169 1.00 0.33 H new ATOM 1392 N CYS A 142 1.920 -5.608 6.254 1.00 0.31 N ATOM 1393 CA CYS A 142 0.844 -5.286 7.227 1.00 0.40 C ATOM 1394 C CYS A 142 0.005 -4.092 6.752 1.00 0.39 C ATOM 1395 O CYS A 142 -0.354 -3.231 7.530 1.00 0.48 O ATOM 1396 CB CYS A 142 1.500 -4.964 8.567 1.00 0.47 C ATOM 1397 SG CYS A 142 3.043 -4.063 8.279 1.00 1.45 S ATOM 0 H CYS A 142 2.843 -5.250 6.501 1.00 0.31 H new ATOM 0 HA CYS A 142 0.173 -6.140 7.322 1.00 0.40 H new ATOM 0 HB2 CYS A 142 0.826 -4.366 9.180 1.00 0.47 H new ATOM 0 HB3 CYS A 142 1.700 -5.884 9.117 1.00 0.47 H new ATOM 0 HG CYS A 142 3.977 -4.900 7.938 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.323 -4.041 5.490 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.158 -2.912 4.962 1.00 0.40 C ATOM 1405 C TYR A 143 -2.473 -3.492 4.429 1.00 0.43 C ATOM 1406 O TYR A 143 -2.496 -4.189 3.434 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.388 -2.209 3.828 1.00 0.55 C ATOM 1408 CG TYR A 143 0.333 -0.982 4.355 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.402 0.149 4.725 1.00 2.16 C ATOM 1410 CD2 TYR A 143 1.730 -0.974 4.466 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.256 1.289 5.204 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.388 0.165 4.944 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.651 1.297 5.313 1.00 3.52 C ATOM 1414 OH TYR A 143 2.300 2.421 5.782 1.00 4.57 O ATOM 0 H TYR A 143 -0.049 -4.735 4.794 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.371 -2.188 5.748 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.331 -2.899 3.387 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -1.079 -1.920 3.036 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.479 0.143 4.641 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.299 -1.847 4.183 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -0.313 2.161 5.489 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.465 0.171 5.028 1.00 3.14 H new ATOM 0 HH TYR A 143 3.266 2.259 5.796 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.566 -3.207 5.094 1.00 0.39 N ATOM 1425 CA LYS A 144 -4.897 -3.733 4.652 1.00 0.51 C ATOM 1426 C LYS A 144 -5.793 -2.560 4.255 1.00 0.43 C ATOM 1427 O LYS A 144 -6.082 -1.690 5.053 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.543 -4.505 5.810 1.00 0.70 C ATOM 1429 CG LYS A 144 -5.719 -3.577 7.024 1.00 1.21 C ATOM 1430 CD LYS A 144 -5.783 -4.405 8.312 1.00 1.24 C ATOM 1431 CE LYS A 144 -6.963 -5.376 8.245 1.00 1.57 C ATOM 1432 NZ LYS A 144 -7.196 -5.966 9.594 1.00 2.32 N ATOM 0 H LYS A 144 -3.594 -2.627 5.932 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.769 -4.398 3.798 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -6.510 -4.900 5.500 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -4.922 -5.359 6.081 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -4.890 -2.872 7.076 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -6.631 -2.990 6.914 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -4.853 -4.957 8.447 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -5.891 -3.746 9.174 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -7.858 -4.855 7.904 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -6.758 -6.165 7.521 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -7.998 -6.627 9.550 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -6.344 -6.476 9.902 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -7.409 -5.207 10.273 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.233 -2.524 3.028 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.107 -1.403 2.586 1.00 0.37 C ATOM 1448 C LEU A 145 -8.519 -1.615 3.141 1.00 0.38 C ATOM 1449 O LEU A 145 -9.024 -2.720 3.169 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.140 -1.360 1.050 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.782 -0.864 0.503 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.563 -1.411 -0.913 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.756 0.673 0.451 1.00 0.52 C ATOM 0 H LEU A 145 -6.025 -3.222 2.313 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.717 -0.456 2.959 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.359 -2.352 0.655 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -7.939 -0.699 0.714 1.00 0.42 H new ATOM 0 HG LEU A 145 -4.992 -1.218 1.166 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.605 -1.059 -1.295 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.565 -2.501 -0.886 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.364 -1.063 -1.565 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -4.794 1.008 0.064 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.553 1.029 -0.202 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -5.903 1.074 1.454 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.156 -0.560 3.592 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.530 -0.684 4.169 1.00 0.50 C ATOM 1467 C VAL A 146 -11.254 0.671 4.005 1.00 0.59 C ATOM 1468 O VAL A 146 -10.674 1.707 4.269 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.425 -0.979 5.680 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.792 -1.398 6.224 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.417 -2.102 5.955 1.00 0.56 C ATOM 0 H VAL A 146 -8.779 0.388 3.584 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.069 -1.484 3.662 1.00 0.50 H new ATOM 0 HB VAL A 146 -10.085 -0.070 6.176 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.711 -1.605 7.291 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.510 -0.593 6.064 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.131 -2.295 5.705 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.364 -2.288 7.028 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -9.736 -3.010 5.444 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.434 -1.806 5.589 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.506 0.687 3.588 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.264 1.963 3.422 1.00 0.81 C ATOM 1483 C PRO A 147 -13.748 2.514 4.768 1.00 0.91 C ATOM 1484 O PRO A 147 -14.860 2.267 5.190 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.448 1.560 2.541 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.705 0.130 2.891 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.336 -0.480 3.223 1.00 0.75 C ATOM 0 HA PRO A 147 -12.655 2.757 2.989 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.321 2.181 2.741 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.212 1.673 1.483 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.383 0.053 3.741 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.175 -0.396 2.060 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.405 -1.194 4.044 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.920 -1.015 2.370 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.648 3.667 -0.966 1.00 0.58 N ATOM 1781 CA LEU A 181 -10.102 2.896 0.206 1.00 0.52 C ATOM 1782 C LEU A 181 -8.849 3.577 0.758 1.00 0.47 C ATOM 1783 O LEU A 181 -8.124 4.224 0.039 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.742 1.474 -0.245 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.840 0.909 -1.155 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.430 -0.483 -1.639 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -12.151 0.806 -0.371 1.00 0.87 C ATOM 0 HA LEU A 181 -10.861 2.862 0.987 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.790 1.484 -0.776 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.615 0.830 0.626 1.00 0.60 H new ATOM 0 HG LEU A 181 -10.978 1.570 -2.011 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.209 -0.887 -2.286 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.495 -0.414 -2.195 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -10.294 -1.141 -0.781 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.931 0.405 -1.018 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -12.013 0.144 0.484 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.444 1.796 -0.020 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.588 3.422 2.038 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.369 4.038 2.661 1.00 0.45 C ATOM 1801 C GLU A 182 -6.432 2.951 3.186 1.00 0.42 C ATOM 1802 O GLU A 182 -6.853 1.902 3.632 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.787 4.959 3.813 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.337 4.125 4.973 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.042 5.045 5.972 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -9.772 5.918 5.531 1.00 1.62 O ATOM 1807 OE2 GLU A 182 -8.839 4.861 7.160 1.00 1.49 O ATOM 0 H GLU A 182 -9.173 2.890 2.683 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.843 4.619 1.903 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -6.933 5.546 4.149 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.544 5.665 3.470 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.034 3.375 4.598 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -7.526 3.588 5.466 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.153 3.214 3.133 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.150 2.227 3.618 1.00 0.38 C ATOM 1816 C TRP A 183 -4.194 2.185 5.148 1.00 0.37 C ATOM 1817 O TRP A 183 -3.783 3.115 5.813 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.751 2.675 3.165 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.488 2.241 1.756 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.274 0.966 1.358 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.393 3.064 0.559 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.050 0.957 -0.009 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.115 2.226 -0.546 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.522 4.443 0.331 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.965 2.743 -1.834 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.374 4.968 -0.962 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -2.093 4.120 -2.043 1.00 0.41 C ATOM 0 H TRP A 183 -4.758 4.081 2.770 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.371 1.239 3.214 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.669 3.759 3.238 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -1.996 2.253 3.828 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.277 0.098 2.000 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.860 0.115 -0.552 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.737 5.105 1.157 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.752 2.085 -2.663 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.477 6.031 -1.125 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.976 4.530 -3.035 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.678 1.111 5.712 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.737 1.008 7.202 1.00 0.35 C ATOM 1840 C ARG A 184 -3.505 0.250 7.696 1.00 0.31 C ATOM 1841 O ARG A 184 -3.449 -0.963 7.652 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.000 0.253 7.615 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.206 0.395 9.129 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.380 -0.492 9.600 1.00 1.51 C ATOM 1845 NE ARG A 184 -8.254 0.274 10.547 1.00 1.57 N ATOM 1846 CZ ARG A 184 -7.746 0.969 11.533 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -6.466 0.934 11.778 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -8.533 1.678 12.297 1.00 2.61 N ATOM 0 H ARG A 184 -5.035 0.300 5.207 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.758 2.006 7.639 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.864 0.648 7.081 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -5.912 -0.800 7.346 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -5.294 0.111 9.654 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -6.406 1.437 9.379 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -7.963 -0.823 8.741 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -6.997 -1.387 10.089 1.00 1.51 H new ATOM 0 HE ARG A 184 -9.266 0.253 10.420 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -5.851 0.362 11.199 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -6.079 1.479 12.549 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -9.538 1.688 12.124 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -8.142 2.221 13.067 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.515 0.958 8.162 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.281 0.282 8.654 1.00 0.31 C ATOM 1864 C PHE A 185 -1.611 -0.534 9.907 1.00 0.31 C ATOM 1865 O PHE A 185 -2.253 -0.053 10.819 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.230 1.346 8.992 1.00 0.40 C ATOM 1867 CG PHE A 185 0.987 0.702 9.619 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.969 0.326 10.968 1.00 0.65 C ATOM 1869 CD2 PHE A 185 2.139 0.489 8.851 1.00 0.62 C ATOM 1870 CE1 PHE A 185 2.099 -0.264 11.545 1.00 0.75 C ATOM 1871 CE2 PHE A 185 3.268 -0.101 9.429 1.00 0.74 C ATOM 1872 CZ PHE A 185 3.249 -0.478 10.775 1.00 0.71 C ATOM 0 H PHE A 185 -2.506 1.976 8.224 1.00 0.31 H new ATOM 0 HA PHE A 185 -0.892 -0.385 7.885 1.00 0.31 H new ATOM 0 HB2 PHE A 185 0.059 1.882 8.088 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.654 2.081 9.676 1.00 0.40 H new ATOM 0 HD1 PHE A 185 0.083 0.491 11.563 1.00 0.65 H new ATOM 0 HD2 PHE A 185 2.156 0.781 7.811 1.00 0.62 H new ATOM 0 HE1 PHE A 185 2.084 -0.555 12.585 1.00 0.75 H new ATOM 0 HE2 PHE A 185 4.155 -0.265 8.835 1.00 0.74 H new ATOM 0 HZ PHE A 185 4.121 -0.934 11.221 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.187 -1.771 9.956 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.486 -2.620 11.140 1.00 0.32 C ATOM 1884 C ASP A 186 -0.403 -3.699 11.286 1.00 0.30 C ATOM 1885 O ASP A 186 -0.608 -4.847 10.944 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.845 -3.280 10.915 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.427 -3.755 12.249 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -3.256 -3.054 13.232 1.00 1.23 O ATOM 1889 OD2 ASP A 186 -4.035 -4.812 12.264 1.00 1.16 O ATOM 0 H ASP A 186 -0.645 -2.228 9.223 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.504 -2.017 12.048 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.527 -2.573 10.443 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.739 -4.125 10.234 1.00 0.37 H new ATOM 1894 N SER A 187 0.751 -3.335 11.787 1.00 0.33 N ATOM 1895 CA SER A 187 1.856 -4.333 11.955 1.00 0.34 C ATOM 1896 C SER A 187 1.332 -5.584 12.671 1.00 0.35 C ATOM 1897 O SER A 187 2.032 -6.567 12.807 1.00 0.37 O ATOM 1898 CB SER A 187 2.971 -3.714 12.795 1.00 0.40 C ATOM 1899 OG SER A 187 4.021 -4.661 12.957 1.00 1.32 O ATOM 0 H SER A 187 0.978 -2.387 12.088 1.00 0.33 H new ATOM 0 HA SER A 187 2.235 -4.611 10.972 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.350 -2.814 12.311 1.00 0.40 H new ATOM 0 HB3 SER A 187 2.584 -3.413 13.769 1.00 0.40 H new ATOM 0 HG SER A 187 3.662 -5.568 12.858 1.00 1.32 H new ATOM 1905 N ARG A 188 0.110 -5.559 13.133 1.00 0.40 N ATOM 1906 CA ARG A 188 -0.443 -6.748 13.839 1.00 0.46 C ATOM 1907 C ARG A 188 -0.402 -7.947 12.893 1.00 0.42 C ATOM 1908 O ARG A 188 -0.079 -9.051 13.286 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.892 -6.461 14.243 1.00 0.58 C ATOM 1910 CG ARG A 188 -2.401 -7.564 15.175 1.00 1.40 C ATOM 1911 CD ARG A 188 -3.929 -7.502 15.255 1.00 1.75 C ATOM 1912 NE ARG A 188 -4.432 -8.634 16.082 1.00 2.37 N ATOM 1913 CZ ARG A 188 -5.652 -8.613 16.544 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -6.428 -7.596 16.287 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -6.095 -9.607 17.263 1.00 3.87 N ATOM 0 H ARG A 188 -0.527 -4.767 13.051 1.00 0.40 H new ATOM 0 HA ARG A 188 0.146 -6.964 14.730 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.955 -5.494 14.742 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -2.522 -6.404 13.355 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -2.085 -8.540 14.807 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -1.969 -7.443 16.168 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -4.242 -6.553 15.690 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -4.358 -7.551 14.254 1.00 1.75 H new ATOM 0 HE ARG A 188 -3.823 -9.426 16.287 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -6.081 -6.819 15.725 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -7.382 -7.578 16.648 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -5.488 -10.401 17.464 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -7.049 -9.590 17.624 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.705 -7.733 11.644 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.664 -8.849 10.663 1.00 0.46 C ATOM 1931 C LEU A 189 0.780 -9.343 10.537 1.00 0.41 C ATOM 1932 O LEU A 189 1.084 -10.202 9.733 1.00 0.46 O ATOM 1933 CB LEU A 189 -1.170 -8.363 9.298 1.00 0.57 C ATOM 1934 CG LEU A 189 -2.709 -8.315 9.288 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -3.178 -7.474 8.095 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -3.299 -9.737 9.173 1.00 1.78 C ATOM 0 H LEU A 189 -0.980 -6.829 11.260 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.304 -9.663 11.004 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -0.767 -7.373 9.084 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -0.814 -9.029 8.512 1.00 0.57 H new ATOM 0 HG LEU A 189 -3.053 -7.870 10.222 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -4.267 -7.436 8.082 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.781 -6.463 8.184 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -2.820 -7.924 7.169 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -4.387 -9.680 9.168 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -2.955 -10.200 8.248 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -2.971 -10.337 10.022 1.00 1.78 H new ATOM 1948 N ALA A 190 1.673 -8.814 11.333 1.00 0.37 N ATOM 1949 CA ALA A 190 3.087 -9.265 11.259 1.00 0.42 C ATOM 1950 C ALA A 190 3.161 -10.672 11.840 1.00 0.44 C ATOM 1951 O ALA A 190 4.175 -11.337 11.772 1.00 0.53 O ATOM 1952 CB ALA A 190 3.973 -8.324 12.080 1.00 0.47 C ATOM 0 H ALA A 190 1.481 -8.092 12.027 1.00 0.37 H new ATOM 0 HA ALA A 190 3.434 -9.259 10.226 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.009 -8.658 12.023 1.00 0.47 H new ATOM 0 HB2 ALA A 190 3.896 -7.312 11.682 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.646 -8.331 13.120 1.00 0.47 H new ATOM 1958 N PHE A 191 2.071 -11.133 12.400 1.00 0.42 N ATOM 1959 CA PHE A 191 2.036 -12.510 12.980 1.00 0.51 C ATOM 1960 C PHE A 191 0.697 -13.164 12.629 1.00 0.56 C ATOM 1961 O PHE A 191 0.643 -14.311 12.233 1.00 0.96 O ATOM 1962 CB PHE A 191 2.219 -12.442 14.501 1.00 0.58 C ATOM 1963 CG PHE A 191 1.024 -11.784 15.150 1.00 1.14 C ATOM 1964 CD1 PHE A 191 -0.083 -12.555 15.521 1.00 1.98 C ATOM 1965 CD2 PHE A 191 1.033 -10.405 15.399 1.00 1.81 C ATOM 1966 CE1 PHE A 191 -1.182 -11.949 16.139 1.00 2.87 C ATOM 1967 CE2 PHE A 191 -0.068 -9.800 16.016 1.00 2.75 C ATOM 1968 CZ PHE A 191 -1.175 -10.571 16.387 1.00 3.15 C ATOM 0 H PHE A 191 1.198 -10.611 12.481 1.00 0.42 H new ATOM 0 HA PHE A 191 2.848 -13.107 12.565 1.00 0.51 H new ATOM 0 HB2 PHE A 191 2.351 -13.447 14.902 1.00 0.58 H new ATOM 0 HB3 PHE A 191 3.124 -11.882 14.740 1.00 0.58 H new ATOM 0 HD1 PHE A 191 -0.089 -13.618 15.330 1.00 1.98 H new ATOM 0 HD2 PHE A 191 1.888 -9.810 15.115 1.00 1.81 H new ATOM 0 HE1 PHE A 191 -2.036 -12.544 16.425 1.00 2.87 H new ATOM 0 HE2 PHE A 191 -0.063 -8.737 16.206 1.00 2.75 H new ATOM 0 HZ PHE A 191 -2.024 -10.104 16.864 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.386 -12.441 12.749 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.714 -13.026 12.398 1.00 0.72 C ATOM 1980 C HIS A 192 -1.831 -13.105 10.872 1.00 0.67 C ATOM 1981 O HIS A 192 -1.133 -12.418 10.156 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.836 -12.139 12.955 1.00 1.01 C ATOM 1983 CG HIS A 192 -4.127 -12.912 12.990 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -4.160 -14.297 13.061 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -5.440 -12.509 12.969 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -5.451 -14.673 13.081 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -6.274 -13.622 13.027 1.00 3.35 N ATOM 0 H HIS A 192 -0.409 -11.474 13.074 1.00 0.64 H new ATOM 0 HA HIS A 192 -1.803 -14.023 12.830 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.578 -11.798 13.958 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -2.951 -11.250 12.335 1.00 1.01 H new ATOM 0 HD1 HIS A 192 -3.351 -14.918 13.092 1.00 2.46 H new ATOM 0 HD2 HIS A 192 -5.775 -11.484 12.916 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -5.782 -15.700 13.134 1.00 3.29 H new ATOM 1995 N HIS A 193 -2.707 -13.930 10.362 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.853 -14.037 8.878 1.00 0.85 C ATOM 1997 C HIS A 193 -4.270 -14.501 8.526 1.00 0.74 C ATOM 1998 O HIS A 193 -4.538 -15.681 8.409 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.832 -15.042 8.338 1.00 1.28 C ATOM 2000 CG HIS A 193 -1.823 -16.268 9.209 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -2.858 -16.564 10.081 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -0.910 -17.284 9.351 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -2.546 -17.715 10.706 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -1.369 -18.197 10.296 1.00 3.87 N ATOM 0 H HIS A 193 -3.326 -14.532 10.905 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.677 -13.061 8.427 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -2.081 -15.314 7.312 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -0.840 -14.592 8.316 1.00 1.28 H new ATOM 0 HD2 HIS A 193 0.022 -17.363 8.812 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -3.170 -18.190 11.448 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -0.906 -19.051 10.608 1.00 3.87 H new ATOM 2012 N MET A 194 -5.178 -13.577 8.355 1.00 0.73 N ATOM 2013 CA MET A 194 -6.579 -13.953 8.009 1.00 0.79 C ATOM 2014 C MET A 194 -6.689 -14.238 6.507 1.00 0.75 C ATOM 2015 O MET A 194 -7.371 -15.151 6.087 1.00 0.90 O ATOM 2016 CB MET A 194 -7.516 -12.798 8.370 1.00 0.91 C ATOM 2017 CG MET A 194 -7.591 -12.657 9.891 1.00 1.47 C ATOM 2018 SD MET A 194 -8.506 -14.058 10.584 1.00 2.35 S ATOM 2019 CE MET A 194 -8.959 -13.305 12.170 1.00 2.94 C ATOM 0 H MET A 194 -5.008 -12.575 8.440 1.00 0.73 H new ATOM 0 HA MET A 194 -6.857 -14.847 8.567 1.00 0.79 H new ATOM 0 HB2 MET A 194 -7.155 -11.870 7.926 1.00 0.91 H new ATOM 0 HB3 MET A 194 -8.510 -12.981 7.962 1.00 0.91 H new ATOM 0 HG2 MET A 194 -6.587 -12.620 10.313 1.00 1.47 H new ATOM 0 HG3 MET A 194 -8.083 -11.721 10.156 1.00 1.47 H new ATOM 0 HE1 MET A 194 -8.732 -13.998 12.980 1.00 2.94 H new ATOM 0 HE2 MET A 194 -8.392 -12.385 12.311 1.00 2.94 H new ATOM 0 HE3 MET A 194 -10.025 -13.079 12.174 1.00 2.94 H new ATOM 2029 N ALA A 195 -6.033 -13.454 5.694 1.00 0.66 N ATOM 2030 CA ALA A 195 -6.110 -13.667 4.219 1.00 0.76 C ATOM 2031 C ALA A 195 -5.869 -15.142 3.890 1.00 0.90 C ATOM 2032 O ALA A 195 -6.456 -15.687 2.976 1.00 1.11 O ATOM 2033 CB ALA A 195 -5.045 -12.814 3.527 1.00 0.82 C ATOM 0 H ALA A 195 -5.446 -12.674 5.988 1.00 0.66 H new ATOM 0 HA ALA A 195 -7.101 -13.379 3.868 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -5.099 -12.968 2.449 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -5.219 -11.762 3.752 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -4.057 -13.104 3.886 1.00 0.82 H new