USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 HIS : no HE2:sc= -1.13 K(o=-0.79,f=-6.2!) USER MOD Set 1.2: A 187 SER OG : rot 110:sc= 0.341 USER MOD Set 2.1: A 80 THR OG1 : rot -99:sc= -0.439! USER MOD Set 2.2: A 120 TYR OH : rot -104:sc= 1.24 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) 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 88 SER OG : rot -86:sc= 0.791 USER MOD Single : A 92 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.646) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HE2:sc= -2.13! C(o=-2.1!,f=-4.6!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.524 K(o=-0.52,f=-1.7!) USER MOD Single : A 117 THR OG1 : rot -16:sc= 0.585 USER MOD Single : A 118 GLN : amide:sc= -19.3! C(o=-19!,f=-19!) USER MOD Single : A 125 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.0069) USER MOD Single : A 126 ASN : amide:sc= -1.73 K(o=-1.7,f=-2.4) USER MOD Single : A 127 TYR OH : rot 180:sc= 0.251 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.00229 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -107:sc= 1.1 USER MOD Single : A 142 CYS SG : rot -7:sc= -0.44 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 162:sc= -1.2 (180deg=-1.64) USER MOD Single : A 192 HIS : no HD1:sc= -0.399 K(o=-0.4,f=-1.1!) USER MOD Single : A 193 HIS : no HE2:sc= -0.903! C(o=-0.9!,f=-6.6!) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 18.875 -1.079 -8.515 1.00 1.04 N ATOM 275 CA VAL A 74 19.934 -1.871 -7.815 1.00 0.93 C ATOM 276 C VAL A 74 19.682 -3.356 -8.108 1.00 0.86 C ATOM 277 O VAL A 74 18.564 -3.740 -8.388 1.00 0.89 O ATOM 278 CB VAL A 74 19.840 -1.619 -6.300 1.00 1.09 C ATOM 279 CG1 VAL A 74 20.539 -0.305 -5.937 1.00 1.17 C ATOM 280 CG2 VAL A 74 18.366 -1.532 -5.898 1.00 1.38 C ATOM 0 HA VAL A 74 20.925 -1.579 -8.161 1.00 0.93 H new ATOM 0 HB VAL A 74 20.327 -2.438 -5.771 1.00 1.09 H new ATOM 0 HG11 VAL A 74 20.465 -0.138 -4.862 1.00 1.17 H new ATOM 0 HG12 VAL A 74 21.589 -0.360 -6.225 1.00 1.17 H new ATOM 0 HG13 VAL A 74 20.061 0.520 -6.466 1.00 1.17 H new ATOM 0 HG21 VAL A 74 18.291 -1.353 -4.825 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.890 -0.712 -6.436 1.00 1.38 H new ATOM 0 HG23 VAL A 74 17.865 -2.468 -6.146 1.00 1.38 H new ATOM 290 N PRO A 75 20.696 -4.188 -8.047 1.00 0.93 N ATOM 291 CA PRO A 75 20.546 -5.647 -8.309 1.00 1.00 C ATOM 292 C PRO A 75 19.198 -6.184 -7.813 1.00 0.88 C ATOM 293 O PRO A 75 18.896 -6.137 -6.638 1.00 0.84 O ATOM 294 CB PRO A 75 21.709 -6.247 -7.524 1.00 1.18 C ATOM 295 CG PRO A 75 22.796 -5.217 -7.621 1.00 1.37 C ATOM 296 CD PRO A 75 22.095 -3.847 -7.725 1.00 1.13 C ATOM 0 HA PRO A 75 20.563 -5.894 -9.371 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.433 -6.436 -6.487 1.00 1.18 H new ATOM 0 HB3 PRO A 75 22.025 -7.200 -7.949 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.445 -5.255 -6.746 1.00 1.37 H new ATOM 0 HG3 PRO A 75 23.425 -5.398 -8.493 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.166 -3.290 -6.791 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.544 -3.226 -8.501 1.00 1.13 H new ATOM 304 N LEU A 76 18.378 -6.676 -8.705 1.00 0.86 N ATOM 305 CA LEU A 76 17.044 -7.192 -8.282 1.00 0.77 C ATOM 306 C LEU A 76 17.224 -8.380 -7.336 1.00 0.77 C ATOM 307 O LEU A 76 17.403 -9.503 -7.761 1.00 0.85 O ATOM 308 CB LEU A 76 16.245 -7.645 -9.511 1.00 0.84 C ATOM 309 CG LEU A 76 16.024 -6.468 -10.476 1.00 0.87 C ATOM 310 CD1 LEU A 76 15.489 -7.002 -11.809 1.00 1.01 C ATOM 311 CD2 LEU A 76 15.006 -5.475 -9.885 1.00 0.76 C ATOM 0 H LEU A 76 18.574 -6.742 -9.704 1.00 0.86 H new ATOM 0 HA LEU A 76 16.505 -6.395 -7.770 1.00 0.77 H new ATOM 0 HB2 LEU A 76 16.778 -8.447 -10.023 1.00 0.84 H new ATOM 0 HB3 LEU A 76 15.283 -8.051 -9.197 1.00 0.84 H new ATOM 0 HG LEU A 76 16.973 -5.954 -10.631 1.00 0.87 H new ATOM 0 HD11 LEU A 76 15.331 -6.171 -12.497 1.00 1.01 H new ATOM 0 HD12 LEU A 76 16.211 -7.696 -12.239 1.00 1.01 H new ATOM 0 HD13 LEU A 76 14.544 -7.519 -11.641 1.00 1.01 H new ATOM 0 HD21 LEU A 76 14.860 -4.647 -10.579 1.00 0.76 H new ATOM 0 HD22 LEU A 76 14.056 -5.983 -9.721 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.381 -5.091 -8.936 1.00 0.76 H new ATOM 323 N ARG A 77 17.159 -8.142 -6.054 1.00 0.74 N ATOM 324 CA ARG A 77 17.306 -9.255 -5.073 1.00 0.79 C ATOM 325 C ARG A 77 15.927 -9.907 -4.858 1.00 0.71 C ATOM 326 O ARG A 77 14.922 -9.225 -4.879 1.00 0.73 O ATOM 327 CB ARG A 77 17.831 -8.690 -3.746 1.00 0.85 C ATOM 328 CG ARG A 77 18.850 -7.587 -4.037 1.00 1.19 C ATOM 329 CD ARG A 77 19.613 -7.238 -2.756 1.00 1.52 C ATOM 330 NE ARG A 77 18.642 -6.919 -1.673 1.00 2.13 N ATOM 331 CZ ARG A 77 19.045 -6.851 -0.434 1.00 2.66 C ATOM 332 NH1 ARG A 77 20.304 -7.042 -0.147 1.00 2.73 N ATOM 333 NH2 ARG A 77 18.192 -6.584 0.517 1.00 3.61 N ATOM 0 H ARG A 77 17.010 -7.221 -5.642 1.00 0.74 H new ATOM 0 HA ARG A 77 18.009 -10.000 -5.446 1.00 0.79 H new ATOM 0 HB2 ARG A 77 17.006 -8.293 -3.154 1.00 0.85 H new ATOM 0 HB3 ARG A 77 18.293 -9.482 -3.157 1.00 0.85 H new ATOM 0 HG2 ARG A 77 19.546 -7.916 -4.808 1.00 1.19 H new ATOM 0 HG3 ARG A 77 18.343 -6.702 -4.422 1.00 1.19 H new ATOM 0 HD2 ARG A 77 20.246 -8.074 -2.457 1.00 1.52 H new ATOM 0 HD3 ARG A 77 20.271 -6.387 -2.932 1.00 1.52 H new ATOM 0 HE ARG A 77 17.661 -6.754 -1.900 1.00 2.13 H new ATOM 0 HH11 ARG A 77 20.972 -7.244 -0.891 1.00 2.73 H new ATOM 0 HH12 ARG A 77 20.620 -6.989 0.821 1.00 2.73 H new ATOM 0 HH21 ARG A 77 17.209 -6.428 0.292 1.00 3.61 H new ATOM 0 HH22 ARG A 77 18.508 -6.531 1.485 1.00 3.61 H new ATOM 347 N PRO A 78 15.859 -11.202 -4.639 1.00 0.79 N ATOM 348 CA PRO A 78 14.557 -11.890 -4.410 1.00 0.76 C ATOM 349 C PRO A 78 13.621 -11.052 -3.527 1.00 0.67 C ATOM 350 O PRO A 78 14.067 -10.326 -2.660 1.00 0.69 O ATOM 351 CB PRO A 78 14.967 -13.183 -3.699 1.00 0.86 C ATOM 352 CG PRO A 78 16.334 -13.498 -4.228 1.00 1.18 C ATOM 353 CD PRO A 78 16.990 -12.151 -4.584 1.00 1.06 C ATOM 0 HA PRO A 78 14.003 -12.060 -5.333 1.00 0.76 H new ATOM 0 HB2 PRO A 78 14.983 -13.051 -2.617 1.00 0.86 H new ATOM 0 HB3 PRO A 78 14.266 -13.990 -3.911 1.00 0.86 H new ATOM 0 HG2 PRO A 78 16.924 -14.031 -3.483 1.00 1.18 H new ATOM 0 HG3 PRO A 78 16.271 -14.142 -5.105 1.00 1.18 H new ATOM 0 HD2 PRO A 78 17.723 -11.854 -3.834 1.00 1.06 H new ATOM 0 HD3 PRO A 78 17.514 -12.203 -5.539 1.00 1.06 H new ATOM 361 N MET A 79 12.334 -11.141 -3.732 1.00 0.65 N ATOM 362 CA MET A 79 11.405 -10.339 -2.888 1.00 0.61 C ATOM 363 C MET A 79 11.505 -10.834 -1.442 1.00 0.51 C ATOM 364 O MET A 79 11.157 -11.955 -1.128 1.00 0.56 O ATOM 365 CB MET A 79 9.966 -10.478 -3.412 1.00 0.66 C ATOM 366 CG MET A 79 8.975 -9.869 -2.414 1.00 0.74 C ATOM 367 SD MET A 79 9.483 -8.184 -1.989 1.00 1.25 S ATOM 368 CE MET A 79 8.324 -7.931 -0.624 1.00 0.83 C ATOM 0 H MET A 79 11.891 -11.727 -4.439 1.00 0.65 H new ATOM 0 HA MET A 79 11.678 -9.285 -2.929 1.00 0.61 H new ATOM 0 HB2 MET A 79 9.873 -9.979 -4.377 1.00 0.66 H new ATOM 0 HB3 MET A 79 9.730 -11.530 -3.573 1.00 0.66 H new ATOM 0 HG2 MET A 79 7.973 -9.858 -2.844 1.00 0.74 H new ATOM 0 HG3 MET A 79 8.929 -10.482 -1.514 1.00 0.74 H new ATOM 0 HE1 MET A 79 8.466 -6.934 -0.206 1.00 0.83 H new ATOM 0 HE2 MET A 79 7.302 -8.028 -0.991 1.00 0.83 H new ATOM 0 HE3 MET A 79 8.504 -8.678 0.149 1.00 0.83 H new ATOM 378 N THR A 80 12.006 -10.003 -0.570 1.00 0.56 N ATOM 379 CA THR A 80 12.177 -10.395 0.861 1.00 0.60 C ATOM 380 C THR A 80 10.917 -10.103 1.670 1.00 0.56 C ATOM 381 O THR A 80 10.641 -8.979 2.034 1.00 0.50 O ATOM 382 CB THR A 80 13.372 -9.623 1.433 1.00 0.77 C ATOM 383 OG1 THR A 80 13.367 -8.310 0.899 1.00 0.94 O ATOM 384 CG2 THR A 80 14.682 -10.318 1.045 1.00 0.73 C ATOM 0 H THR A 80 12.309 -9.054 -0.790 1.00 0.56 H new ATOM 0 HA THR A 80 12.358 -11.468 0.922 1.00 0.60 H new ATOM 0 HB THR A 80 13.294 -9.590 2.520 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.000 -8.258 0.152 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.525 -9.762 1.456 1.00 0.73 H new ATOM 0 HG22 THR A 80 14.688 -11.332 1.444 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.767 -10.355 -0.041 1.00 0.73 H new ATOM 392 N TYR A 81 10.171 -11.128 1.998 1.00 0.61 N ATOM 393 CA TYR A 81 8.959 -10.923 2.833 1.00 0.60 C ATOM 394 C TYR A 81 9.429 -10.180 4.080 1.00 0.51 C ATOM 395 O TYR A 81 8.816 -9.239 4.545 1.00 0.45 O ATOM 396 CB TYR A 81 8.345 -12.307 3.183 1.00 0.69 C ATOM 397 CG TYR A 81 8.519 -12.655 4.655 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.669 -12.091 5.613 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.533 -13.537 5.053 1.00 0.71 C ATOM 400 CE1 TYR A 81 7.830 -12.407 6.969 1.00 0.66 C ATOM 401 CE2 TYR A 81 9.694 -13.854 6.408 1.00 0.77 C ATOM 402 CZ TYR A 81 8.842 -13.290 7.365 1.00 0.73 C ATOM 403 OH TYR A 81 9.002 -13.603 8.700 1.00 0.90 O ATOM 0 H TYR A 81 10.352 -12.093 1.722 1.00 0.61 H new ATOM 0 HA TYR A 81 8.186 -10.348 2.323 1.00 0.60 H new ATOM 0 HB2 TYR A 81 7.284 -12.306 2.934 1.00 0.69 H new ATOM 0 HB3 TYR A 81 8.815 -13.077 2.571 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.888 -11.411 5.307 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.190 -13.972 4.315 1.00 0.71 H new ATOM 0 HE1 TYR A 81 7.174 -11.970 7.708 1.00 0.66 H new ATOM 0 HE2 TYR A 81 10.475 -14.534 6.714 1.00 0.77 H new ATOM 0 HH TYR A 81 9.748 -14.230 8.802 1.00 0.90 H new ATOM 413 N LYS A 82 10.548 -10.603 4.594 1.00 0.52 N ATOM 414 CA LYS A 82 11.124 -9.939 5.784 1.00 0.48 C ATOM 415 C LYS A 82 11.253 -8.448 5.483 1.00 0.40 C ATOM 416 O LYS A 82 11.026 -7.616 6.339 1.00 0.38 O ATOM 417 CB LYS A 82 12.509 -10.531 6.081 1.00 0.55 C ATOM 418 CG LYS A 82 13.068 -9.965 7.401 1.00 0.60 C ATOM 419 CD LYS A 82 12.525 -10.760 8.596 1.00 0.92 C ATOM 420 CE LYS A 82 13.202 -10.273 9.877 1.00 1.49 C ATOM 421 NZ LYS A 82 12.645 -11.011 11.046 1.00 2.32 N ATOM 0 H LYS A 82 11.090 -11.388 4.234 1.00 0.52 H new ATOM 0 HA LYS A 82 10.482 -10.092 6.652 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.440 -11.617 6.145 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.192 -10.302 5.263 1.00 0.55 H new ATOM 0 HG2 LYS A 82 14.157 -10.010 7.391 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.793 -8.915 7.499 1.00 0.60 H new ATOM 0 HD2 LYS A 82 11.445 -10.633 8.671 1.00 0.92 H new ATOM 0 HD3 LYS A 82 12.712 -11.824 8.454 1.00 0.92 H new ATOM 0 HE2 LYS A 82 14.279 -10.430 9.814 1.00 1.49 H new ATOM 0 HE3 LYS A 82 13.043 -9.202 10.000 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 13.106 -10.679 11.917 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 11.621 -10.840 11.109 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 12.819 -12.030 10.928 1.00 2.32 H new ATOM 435 N ALA A 83 11.613 -8.087 4.272 1.00 0.42 N ATOM 436 CA ALA A 83 11.735 -6.626 3.977 1.00 0.41 C ATOM 437 C ALA A 83 10.352 -5.974 4.051 1.00 0.35 C ATOM 438 O ALA A 83 10.222 -4.819 4.396 1.00 0.34 O ATOM 439 CB ALA A 83 12.328 -6.399 2.587 1.00 0.52 C ATOM 0 H ALA A 83 11.821 -8.719 3.499 1.00 0.42 H new ATOM 0 HA ALA A 83 12.399 -6.178 4.716 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.407 -5.329 2.395 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.319 -6.851 2.536 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.682 -6.855 1.837 1.00 0.52 H new ATOM 445 N ALA A 84 9.318 -6.707 3.735 1.00 0.34 N ATOM 446 CA ALA A 84 7.948 -6.119 3.792 1.00 0.31 C ATOM 447 C ALA A 84 7.674 -5.613 5.209 1.00 0.28 C ATOM 448 O ALA A 84 7.198 -4.513 5.402 1.00 0.28 O ATOM 449 CB ALA A 84 6.919 -7.189 3.422 1.00 0.34 C ATOM 0 H ALA A 84 9.362 -7.683 3.441 1.00 0.34 H new ATOM 0 HA ALA A 84 7.876 -5.289 3.089 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.918 -6.761 3.463 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.117 -7.551 2.413 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.988 -8.019 4.125 1.00 0.34 H new ATOM 455 N VAL A 85 7.977 -6.403 6.203 1.00 0.29 N ATOM 456 CA VAL A 85 7.736 -5.953 7.602 1.00 0.29 C ATOM 457 C VAL A 85 8.621 -4.748 7.897 1.00 0.29 C ATOM 458 O VAL A 85 8.160 -3.732 8.381 1.00 0.30 O ATOM 459 CB VAL A 85 8.070 -7.085 8.575 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.650 -6.686 9.990 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.317 -8.348 8.163 1.00 0.38 C ATOM 0 H VAL A 85 8.379 -7.336 6.107 1.00 0.29 H new ATOM 0 HA VAL A 85 6.688 -5.679 7.722 1.00 0.29 H new ATOM 0 HB VAL A 85 9.143 -7.274 8.554 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.889 -7.494 10.682 1.00 0.37 H new ATOM 0 HG12 VAL A 85 8.184 -5.784 10.287 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.577 -6.496 10.011 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.554 -9.155 8.856 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.244 -8.155 8.184 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.614 -8.636 7.155 1.00 0.38 H new ATOM 471 N ASP A 86 9.885 -4.838 7.598 1.00 0.30 N ATOM 472 CA ASP A 86 10.777 -3.680 7.852 1.00 0.32 C ATOM 473 C ASP A 86 10.267 -2.509 7.020 1.00 0.30 C ATOM 474 O ASP A 86 10.163 -1.393 7.490 1.00 0.31 O ATOM 475 CB ASP A 86 12.209 -4.029 7.439 1.00 0.36 C ATOM 476 CG ASP A 86 12.797 -5.030 8.435 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.137 -5.310 9.423 1.00 1.23 O ATOM 478 OD2 ASP A 86 13.897 -5.501 8.195 1.00 1.05 O ATOM 0 H ASP A 86 10.335 -5.658 7.192 1.00 0.30 H new ATOM 0 HA ASP A 86 10.777 -3.422 8.911 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.216 -4.452 6.435 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.820 -3.127 7.409 1.00 0.36 H new ATOM 483 N LEU A 87 9.918 -2.764 5.788 1.00 0.29 N ATOM 484 CA LEU A 87 9.385 -1.675 4.929 1.00 0.30 C ATOM 485 C LEU A 87 8.100 -1.139 5.561 1.00 0.29 C ATOM 486 O LEU A 87 7.886 0.054 5.634 1.00 0.30 O ATOM 487 CB LEU A 87 9.082 -2.222 3.526 1.00 0.33 C ATOM 488 CG LEU A 87 8.890 -1.058 2.531 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.248 -0.593 1.988 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.020 -1.522 1.357 1.00 0.44 C ATOM 0 H LEU A 87 9.980 -3.679 5.342 1.00 0.29 H new ATOM 0 HA LEU A 87 10.121 -0.875 4.844 1.00 0.30 H new ATOM 0 HB2 LEU A 87 9.898 -2.863 3.194 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.183 -2.838 3.554 1.00 0.33 H new ATOM 0 HG LEU A 87 8.406 -0.232 3.051 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.098 0.228 1.287 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.874 -0.255 2.814 1.00 0.52 H new ATOM 0 HD13 LEU A 87 10.738 -1.421 1.476 1.00 0.52 H new ATOM 0 HD21 LEU A 87 7.886 -0.698 0.656 1.00 0.44 H new ATOM 0 HD22 LEU A 87 8.507 -2.355 0.850 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.047 -1.843 1.730 1.00 0.44 H new ATOM 502 N SER A 88 7.241 -2.011 6.030 1.00 0.30 N ATOM 503 CA SER A 88 5.982 -1.534 6.662 1.00 0.34 C ATOM 504 C SER A 88 6.325 -0.518 7.753 1.00 0.33 C ATOM 505 O SER A 88 5.753 0.551 7.823 1.00 0.36 O ATOM 506 CB SER A 88 5.242 -2.719 7.284 1.00 0.40 C ATOM 507 OG SER A 88 5.742 -2.947 8.596 1.00 0.44 O ATOM 0 H SER A 88 7.360 -3.024 6.001 1.00 0.30 H new ATOM 0 HA SER A 88 5.347 -1.067 5.910 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.172 -2.516 7.320 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.377 -3.610 6.671 1.00 0.40 H new ATOM 0 HG SER A 88 6.533 -3.523 8.549 1.00 0.44 H new ATOM 513 N HIS A 89 7.255 -0.848 8.607 1.00 0.34 N ATOM 514 CA HIS A 89 7.636 0.094 9.696 1.00 0.36 C ATOM 515 C HIS A 89 8.453 1.251 9.120 1.00 0.36 C ATOM 516 O HIS A 89 8.375 2.368 9.589 1.00 0.41 O ATOM 517 CB HIS A 89 8.467 -0.643 10.748 1.00 0.41 C ATOM 518 CG HIS A 89 7.578 -1.566 11.534 1.00 0.52 C ATOM 519 ND1 HIS A 89 6.641 -1.096 12.440 1.00 1.43 N ATOM 520 CD2 HIS A 89 7.473 -2.934 11.560 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.017 -2.166 12.968 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.486 -3.310 12.466 1.00 0.82 N ATOM 0 H HIS A 89 7.767 -1.730 8.597 1.00 0.34 H new ATOM 0 HA HIS A 89 6.731 0.488 10.159 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.263 -1.211 10.266 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.946 0.073 11.415 1.00 0.41 H new ATOM 0 HD1 HIS A 89 6.457 -0.118 12.666 1.00 1.43 H new ATOM 0 HD2 HIS A 89 8.066 -3.615 10.968 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.232 -2.106 13.708 1.00 1.27 H new ATOM 530 N PHE A 90 9.235 0.998 8.108 1.00 0.34 N ATOM 531 CA PHE A 90 10.046 2.095 7.516 1.00 0.37 C ATOM 532 C PHE A 90 9.108 3.223 7.090 1.00 0.40 C ATOM 533 O PHE A 90 9.242 4.353 7.516 1.00 0.47 O ATOM 534 CB PHE A 90 10.804 1.565 6.296 1.00 0.38 C ATOM 535 CG PHE A 90 11.825 2.584 5.851 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.071 2.651 6.487 1.00 0.57 C ATOM 537 CD2 PHE A 90 11.528 3.460 4.799 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.019 3.594 6.072 1.00 0.69 C ATOM 539 CE2 PHE A 90 12.477 4.403 4.385 1.00 0.70 C ATOM 540 CZ PHE A 90 13.722 4.470 5.021 1.00 0.72 C ATOM 0 H PHE A 90 9.347 0.085 7.668 1.00 0.34 H new ATOM 0 HA PHE A 90 10.763 2.468 8.247 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.297 0.625 6.542 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.107 1.356 5.485 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.301 1.975 7.298 1.00 0.57 H new ATOM 0 HD2 PHE A 90 10.568 3.408 4.307 1.00 0.59 H new ATOM 0 HE1 PHE A 90 14.980 3.646 6.563 1.00 0.69 H new ATOM 0 HE2 PHE A 90 12.248 5.079 3.574 1.00 0.70 H new ATOM 0 HZ PHE A 90 14.453 5.197 4.701 1.00 0.72 H new ATOM 550 N LEU A 91 8.155 2.922 6.254 1.00 0.37 N ATOM 551 CA LEU A 91 7.200 3.969 5.799 1.00 0.42 C ATOM 552 C LEU A 91 6.428 4.529 6.998 1.00 0.47 C ATOM 553 O LEU A 91 6.027 5.674 7.000 1.00 0.57 O ATOM 554 CB LEU A 91 6.215 3.360 4.798 1.00 0.41 C ATOM 555 CG LEU A 91 6.978 2.805 3.584 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.086 1.819 2.826 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.382 3.947 2.639 1.00 0.54 C ATOM 0 H LEU A 91 7.996 1.993 5.865 1.00 0.37 H new ATOM 0 HA LEU A 91 7.755 4.777 5.322 1.00 0.42 H new ATOM 0 HB2 LEU A 91 5.644 2.563 5.275 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.499 4.115 4.474 1.00 0.41 H new ATOM 0 HG LEU A 91 7.876 2.299 3.937 1.00 0.41 H new ATOM 0 HD11 LEU A 91 6.627 1.426 1.966 1.00 0.42 H new ATOM 0 HD12 LEU A 91 5.809 0.997 3.486 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.186 2.330 2.485 1.00 0.42 H new ATOM 0 HD21 LEU A 91 7.921 3.539 1.784 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.488 4.464 2.290 1.00 0.54 H new ATOM 0 HD23 LEU A 91 8.024 4.650 3.171 1.00 0.54 H new ATOM 569 N LYS A 92 6.205 3.739 8.017 1.00 0.45 N ATOM 570 CA LYS A 92 5.448 4.256 9.193 1.00 0.53 C ATOM 571 C LYS A 92 6.245 5.378 9.861 1.00 0.63 C ATOM 572 O LYS A 92 5.686 6.309 10.405 1.00 0.85 O ATOM 573 CB LYS A 92 5.225 3.117 10.195 1.00 0.54 C ATOM 574 CG LYS A 92 4.509 3.634 11.454 1.00 0.73 C ATOM 575 CD LYS A 92 3.177 4.301 11.077 1.00 1.20 C ATOM 576 CE LYS A 92 2.240 4.308 12.288 1.00 1.61 C ATOM 577 NZ LYS A 92 3.008 4.686 13.508 1.00 2.27 N ATOM 0 H LYS A 92 6.511 2.768 8.085 1.00 0.45 H new ATOM 0 HA LYS A 92 4.484 4.645 8.864 1.00 0.53 H new ATOM 0 HB2 LYS A 92 4.632 2.329 9.731 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.183 2.675 10.471 1.00 0.54 H new ATOM 0 HG2 LYS A 92 4.328 2.808 12.142 1.00 0.73 H new ATOM 0 HG3 LYS A 92 5.146 4.349 11.975 1.00 0.73 H new ATOM 0 HD2 LYS A 92 3.354 5.321 10.737 1.00 1.20 H new ATOM 0 HD3 LYS A 92 2.713 3.765 10.249 1.00 1.20 H new ATOM 0 HE2 LYS A 92 1.424 5.013 12.126 1.00 1.61 H new ATOM 0 HE3 LYS A 92 1.790 3.324 12.419 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 2.350 5.003 14.248 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 3.543 3.863 13.850 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 3.668 5.457 13.278 1.00 2.27 H new ATOM 591 N GLU A 93 7.546 5.294 9.834 1.00 0.62 N ATOM 592 CA GLU A 93 8.372 6.350 10.475 1.00 0.76 C ATOM 593 C GLU A 93 8.303 7.638 9.655 1.00 0.77 C ATOM 594 O GLU A 93 7.627 8.583 10.011 1.00 1.05 O ATOM 595 CB GLU A 93 9.826 5.879 10.554 1.00 0.94 C ATOM 596 CG GLU A 93 9.929 4.693 11.516 1.00 1.22 C ATOM 597 CD GLU A 93 9.827 5.192 12.959 1.00 2.00 C ATOM 598 OE1 GLU A 93 9.764 6.396 13.147 1.00 2.54 O ATOM 599 OE2 GLU A 93 9.816 4.361 13.852 1.00 2.73 O ATOM 0 H GLU A 93 8.072 4.538 9.395 1.00 0.62 H new ATOM 0 HA GLU A 93 7.990 6.542 11.478 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.180 5.589 9.564 1.00 0.94 H new ATOM 0 HB3 GLU A 93 10.465 6.694 10.895 1.00 0.94 H new ATOM 0 HG2 GLU A 93 9.134 3.976 11.312 1.00 1.22 H new ATOM 0 HG3 GLU A 93 10.875 4.172 11.367 1.00 1.22 H new ATOM 606 N LYS A 94 9.014 7.682 8.564 1.00 0.80 N ATOM 607 CA LYS A 94 9.017 8.909 7.714 1.00 1.02 C ATOM 608 C LYS A 94 7.761 8.946 6.830 1.00 0.96 C ATOM 609 O LYS A 94 6.870 9.745 7.038 1.00 1.41 O ATOM 610 CB LYS A 94 10.287 8.914 6.837 1.00 1.39 C ATOM 611 CG LYS A 94 11.443 9.589 7.585 1.00 1.63 C ATOM 612 CD LYS A 94 12.745 9.373 6.812 1.00 2.18 C ATOM 613 CE LYS A 94 13.901 10.035 7.562 1.00 2.61 C ATOM 614 NZ LYS A 94 15.169 9.824 6.807 1.00 2.96 N ATOM 0 H LYS A 94 9.597 6.918 8.221 1.00 0.80 H new ATOM 0 HA LYS A 94 9.013 9.793 8.352 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.561 7.892 6.575 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.091 9.441 5.903 1.00 1.39 H new ATOM 0 HG2 LYS A 94 11.246 10.655 7.695 1.00 1.63 H new ATOM 0 HG3 LYS A 94 11.531 9.175 8.590 1.00 1.63 H new ATOM 0 HD2 LYS A 94 12.938 8.307 6.694 1.00 2.18 H new ATOM 0 HD3 LYS A 94 12.659 9.794 5.810 1.00 2.18 H new ATOM 0 HE2 LYS A 94 13.709 11.101 7.680 1.00 2.61 H new ATOM 0 HE3 LYS A 94 13.987 9.614 8.564 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 15.956 10.274 7.317 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 15.354 8.805 6.716 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 15.084 10.246 5.860 1.00 2.96 H new ATOM 628 N GLY A 95 7.695 8.104 5.835 1.00 1.12 N ATOM 629 CA GLY A 95 6.514 8.104 4.924 1.00 1.51 C ATOM 630 C GLY A 95 5.213 8.197 5.730 1.00 1.10 C ATOM 631 O GLY A 95 5.166 7.859 6.895 1.00 1.71 O ATOM 0 H GLY A 95 8.411 7.413 5.613 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.581 8.944 4.232 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.512 7.195 4.322 1.00 1.51 H new ATOM 635 N GLY A 96 4.150 8.646 5.103 1.00 1.17 N ATOM 636 CA GLY A 96 2.829 8.759 5.797 1.00 0.99 C ATOM 637 C GLY A 96 1.783 8.019 4.963 1.00 0.81 C ATOM 638 O GLY A 96 0.825 8.598 4.489 1.00 0.83 O ATOM 0 H GLY A 96 4.144 8.942 4.127 1.00 1.17 H new ATOM 0 HA2 GLY A 96 2.888 8.331 6.798 1.00 0.99 H new ATOM 0 HA3 GLY A 96 2.550 9.806 5.914 1.00 0.99 H new ATOM 642 N LEU A 97 1.975 6.744 4.763 1.00 0.67 N ATOM 643 CA LEU A 97 1.013 5.961 3.939 1.00 0.55 C ATOM 644 C LEU A 97 -0.211 5.595 4.777 1.00 0.46 C ATOM 645 O LEU A 97 -1.312 5.500 4.273 1.00 0.49 O ATOM 646 CB LEU A 97 1.697 4.676 3.454 1.00 0.54 C ATOM 647 CG LEU A 97 0.836 3.983 2.375 1.00 0.54 C ATOM 648 CD1 LEU A 97 1.166 4.549 0.989 1.00 0.65 C ATOM 649 CD2 LEU A 97 1.122 2.475 2.372 1.00 0.66 C ATOM 0 H LEU A 97 2.760 6.210 5.136 1.00 0.67 H new ATOM 0 HA LEU A 97 0.697 6.560 3.085 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.681 4.911 3.048 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.852 3.999 4.294 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.215 4.163 2.602 1.00 0.54 H new ATOM 0 HD11 LEU A 97 0.552 4.052 0.238 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.961 5.619 0.975 1.00 0.65 H new ATOM 0 HD13 LEU A 97 2.220 4.378 0.768 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.512 1.991 1.609 1.00 0.66 H new ATOM 0 HD22 LEU A 97 2.177 2.305 2.155 1.00 0.66 H new ATOM 0 HD23 LEU A 97 0.880 2.057 3.349 1.00 0.66 H new ATOM 661 N GLU A 98 -0.033 5.381 6.050 1.00 0.44 N ATOM 662 CA GLU A 98 -1.195 5.016 6.904 1.00 0.40 C ATOM 663 C GLU A 98 -2.331 6.014 6.683 1.00 0.40 C ATOM 664 O GLU A 98 -2.118 7.196 6.500 1.00 0.58 O ATOM 665 CB GLU A 98 -0.779 5.019 8.379 1.00 0.49 C ATOM 666 CG GLU A 98 -2.021 4.908 9.278 1.00 0.48 C ATOM 667 CD GLU A 98 -1.609 4.435 10.675 1.00 1.26 C ATOM 668 OE1 GLU A 98 -0.419 4.308 10.906 1.00 2.03 O ATOM 669 OE2 GLU A 98 -2.491 4.206 11.485 1.00 1.94 O ATOM 0 H GLU A 98 0.863 5.443 6.534 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.538 4.017 6.634 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.102 4.187 8.576 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.234 5.935 8.609 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.521 5.874 9.344 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.735 4.209 8.843 1.00 0.48 H new ATOM 676 N GLY A 99 -3.538 5.535 6.721 1.00 0.39 N ATOM 677 CA GLY A 99 -4.717 6.427 6.537 1.00 0.42 C ATOM 678 C GLY A 99 -4.598 7.233 5.236 1.00 0.42 C ATOM 679 O GLY A 99 -5.422 8.079 4.951 1.00 0.46 O ATOM 0 H GLY A 99 -3.764 4.552 6.873 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.629 5.831 6.518 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.799 7.107 7.385 1.00 0.42 H new ATOM 683 N LEU A 100 -3.595 6.984 4.437 1.00 0.41 N ATOM 684 CA LEU A 100 -3.461 7.749 3.159 1.00 0.43 C ATOM 685 C LEU A 100 -4.509 7.231 2.167 1.00 0.42 C ATOM 686 O LEU A 100 -4.484 6.085 1.767 1.00 0.44 O ATOM 687 CB LEU A 100 -2.053 7.550 2.587 1.00 0.45 C ATOM 688 CG LEU A 100 -1.797 8.542 1.436 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.453 9.934 1.988 1.00 1.15 C ATOM 690 CD2 LEU A 100 -0.628 8.039 0.582 1.00 1.17 C ATOM 0 H LEU A 100 -2.867 6.290 4.610 1.00 0.41 H new ATOM 0 HA LEU A 100 -3.619 8.812 3.339 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.311 7.694 3.372 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -1.941 6.528 2.226 1.00 0.45 H new ATOM 0 HG LEU A 100 -2.701 8.615 0.831 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.276 10.620 1.160 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.283 10.301 2.592 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -0.556 9.870 2.604 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -0.445 8.739 -0.233 1.00 1.17 H new ATOM 0 HD22 LEU A 100 0.266 7.960 1.200 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -0.873 7.060 0.171 1.00 1.17 H new ATOM 702 N ILE A 101 -5.451 8.059 1.794 1.00 0.44 N ATOM 703 CA ILE A 101 -6.521 7.601 0.860 1.00 0.45 C ATOM 704 C ILE A 101 -5.945 7.210 -0.508 1.00 0.46 C ATOM 705 O ILE A 101 -5.592 8.045 -1.316 1.00 0.49 O ATOM 706 CB ILE A 101 -7.596 8.700 0.718 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.519 8.688 1.964 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.430 8.481 -0.553 1.00 0.54 C ATOM 709 CD1 ILE A 101 -9.615 7.601 1.855 1.00 0.52 C ATOM 0 H ILE A 101 -5.525 9.031 2.096 1.00 0.44 H new ATOM 0 HA ILE A 101 -6.984 6.707 1.278 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.100 9.668 0.642 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -7.921 8.513 2.858 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -8.987 9.666 2.080 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.182 9.266 -0.635 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -7.778 8.511 -1.426 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -8.923 7.510 -0.502 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.241 7.625 2.747 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.230 7.791 0.975 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.147 6.620 1.766 1.00 0.52 H new ATOM 721 N HIS A 102 -5.892 5.929 -0.772 1.00 0.47 N ATOM 722 CA HIS A 102 -5.391 5.438 -2.087 1.00 0.51 C ATOM 723 C HIS A 102 -6.400 5.845 -3.171 1.00 0.58 C ATOM 724 O HIS A 102 -7.417 5.199 -3.357 1.00 0.64 O ATOM 725 CB HIS A 102 -5.246 3.899 -2.029 1.00 0.57 C ATOM 726 CG HIS A 102 -5.389 3.282 -3.400 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.614 2.862 -3.891 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.476 3.004 -4.385 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.408 2.358 -5.121 1.00 1.36 C ATOM 730 NE2 HIS A 102 -5.121 2.420 -5.471 1.00 0.70 N ATOM 0 H HIS A 102 -6.178 5.196 -0.123 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.418 5.871 -2.319 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.274 3.639 -1.610 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.002 3.485 -1.361 1.00 0.57 H new ATOM 0 HD1 HIS A 102 -7.510 2.924 -3.408 1.00 1.41 H new ATOM 0 HD2 HIS A 102 -3.417 3.207 -4.327 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -7.188 1.953 -5.749 1.00 1.36 H new ATOM 738 N SER A 103 -6.129 6.903 -3.885 1.00 0.60 N ATOM 739 CA SER A 103 -7.070 7.337 -4.956 1.00 0.69 C ATOM 740 C SER A 103 -7.086 6.282 -6.063 1.00 0.76 C ATOM 741 O SER A 103 -8.045 5.556 -6.234 1.00 0.85 O ATOM 742 CB SER A 103 -6.609 8.676 -5.530 1.00 0.74 C ATOM 743 OG SER A 103 -7.648 9.227 -6.327 1.00 1.49 O ATOM 0 H SER A 103 -5.299 7.485 -3.773 1.00 0.60 H new ATOM 0 HA SER A 103 -8.072 7.451 -4.542 1.00 0.69 H new ATOM 0 HB2 SER A 103 -6.352 9.362 -4.723 1.00 0.74 H new ATOM 0 HB3 SER A 103 -5.709 8.537 -6.130 1.00 0.74 H new ATOM 0 HG SER A 103 -7.357 10.087 -6.696 1.00 1.49 H new ATOM 749 N GLN A 104 -6.021 6.188 -6.812 1.00 0.81 N ATOM 750 CA GLN A 104 -5.957 5.179 -7.906 1.00 0.92 C ATOM 751 C GLN A 104 -4.533 5.136 -8.463 1.00 0.93 C ATOM 752 O GLN A 104 -3.922 4.089 -8.552 1.00 1.37 O ATOM 753 CB GLN A 104 -6.932 5.559 -9.022 1.00 1.06 C ATOM 754 CG GLN A 104 -6.866 4.506 -10.132 1.00 1.76 C ATOM 755 CD GLN A 104 -8.067 4.669 -11.065 1.00 2.14 C ATOM 756 OE1 GLN A 104 -9.166 4.267 -10.736 1.00 2.64 O ATOM 757 NE2 GLN A 104 -7.904 5.243 -12.225 1.00 2.70 N ATOM 0 H GLN A 104 -5.189 6.770 -6.712 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.231 4.199 -7.514 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.946 5.625 -8.628 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -6.680 6.541 -9.421 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -5.938 4.613 -10.694 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -6.862 3.506 -9.699 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -6.982 5.581 -12.502 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -8.698 5.354 -12.855 1.00 2.70 H new ATOM 766 N ARG A 105 -3.996 6.268 -8.835 1.00 0.83 N ATOM 767 CA ARG A 105 -2.609 6.290 -9.379 1.00 0.87 C ATOM 768 C ARG A 105 -1.611 6.250 -8.219 1.00 0.74 C ATOM 769 O ARG A 105 -0.468 5.874 -8.383 1.00 0.70 O ATOM 770 CB ARG A 105 -2.395 7.565 -10.199 1.00 1.06 C ATOM 771 CG ARG A 105 -2.788 8.790 -9.368 1.00 1.71 C ATOM 772 CD ARG A 105 -2.362 10.062 -10.105 1.00 1.99 C ATOM 773 NE ARG A 105 -2.969 10.071 -11.468 1.00 2.86 N ATOM 774 CZ ARG A 105 -2.979 11.170 -12.172 1.00 3.60 C ATOM 775 NH1 ARG A 105 -2.450 12.262 -11.690 1.00 3.73 N ATOM 776 NH2 ARG A 105 -3.517 11.177 -13.361 1.00 4.61 N ATOM 0 H ARG A 105 -4.458 7.176 -8.785 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.457 5.423 -10.022 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -1.351 7.641 -10.504 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -2.991 7.526 -11.111 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -3.865 8.798 -9.198 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -2.311 8.747 -8.389 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -2.680 10.943 -9.547 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -1.275 10.107 -10.178 1.00 1.99 H new ATOM 0 HE ARG A 105 -3.377 9.218 -11.850 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -2.028 12.257 -10.762 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -2.459 13.120 -12.242 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -3.929 10.324 -13.739 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -3.525 12.035 -13.912 1.00 4.61 H new ATOM 790 N ARG A 106 -2.037 6.631 -7.044 1.00 0.71 N ATOM 791 CA ARG A 106 -1.114 6.609 -5.874 1.00 0.65 C ATOM 792 C ARG A 106 -0.540 5.202 -5.718 1.00 0.54 C ATOM 793 O ARG A 106 0.530 5.013 -5.173 1.00 0.50 O ATOM 794 CB ARG A 106 -1.883 6.989 -4.607 1.00 0.70 C ATOM 795 CG ARG A 106 -2.340 8.446 -4.699 1.00 1.01 C ATOM 796 CD ARG A 106 -2.812 8.919 -3.323 1.00 1.24 C ATOM 797 NE ARG A 106 -3.150 10.368 -3.383 1.00 1.86 N ATOM 798 CZ ARG A 106 -3.848 10.915 -2.425 1.00 2.48 C ATOM 799 NH1 ARG A 106 -4.254 10.190 -1.419 1.00 2.86 N ATOM 800 NH2 ARG A 106 -4.140 12.186 -2.473 1.00 3.29 N ATOM 0 H ARG A 106 -2.983 6.956 -6.845 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.305 7.322 -6.031 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.746 6.334 -4.483 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.250 6.851 -3.731 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -1.521 9.074 -5.050 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -3.148 8.540 -5.425 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -3.683 8.344 -3.009 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -2.032 8.747 -2.581 1.00 1.24 H new ATOM 0 HE ARG A 106 -2.836 10.933 -4.172 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -4.026 9.197 -1.381 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -4.799 10.617 -0.670 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -3.823 12.753 -3.259 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -4.685 12.613 -1.724 1.00 3.29 H new ATOM 814 N GLN A 107 -1.243 4.213 -6.197 1.00 0.55 N ATOM 815 CA GLN A 107 -0.739 2.816 -6.083 1.00 0.52 C ATOM 816 C GLN A 107 0.571 2.696 -6.863 1.00 0.49 C ATOM 817 O GLN A 107 1.560 2.198 -6.362 1.00 0.44 O ATOM 818 CB GLN A 107 -1.775 1.856 -6.673 1.00 0.63 C ATOM 819 CG GLN A 107 -1.397 0.415 -6.323 1.00 1.11 C ATOM 820 CD GLN A 107 -2.357 -0.549 -7.024 1.00 1.53 C ATOM 821 OE1 GLN A 107 -1.994 -1.191 -7.989 1.00 2.13 O ATOM 822 NE2 GLN A 107 -3.576 -0.678 -6.575 1.00 2.12 N ATOM 0 H GLN A 107 -2.145 4.312 -6.663 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.568 2.566 -5.036 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.765 2.088 -6.281 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -1.823 1.977 -7.755 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.371 0.212 -6.631 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -1.441 0.268 -5.244 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -3.881 -0.139 -5.765 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -4.224 -1.318 -7.035 1.00 2.12 H new ATOM 831 N ASP A 108 0.583 3.151 -8.085 1.00 0.56 N ATOM 832 CA ASP A 108 1.826 3.070 -8.902 1.00 0.59 C ATOM 833 C ASP A 108 2.951 3.840 -8.205 1.00 0.54 C ATOM 834 O ASP A 108 4.076 3.386 -8.139 1.00 0.54 O ATOM 835 CB ASP A 108 1.567 3.680 -10.281 1.00 0.72 C ATOM 836 CG ASP A 108 0.661 2.749 -11.088 1.00 0.81 C ATOM 837 OD1 ASP A 108 1.095 1.649 -11.392 1.00 1.42 O ATOM 838 OD2 ASP A 108 -0.451 3.150 -11.388 1.00 1.33 O ATOM 0 H ASP A 108 -0.216 3.577 -8.554 1.00 0.56 H new ATOM 0 HA ASP A 108 2.120 2.026 -9.014 1.00 0.59 H new ATOM 0 HB2 ASP A 108 1.099 4.659 -10.175 1.00 0.72 H new ATOM 0 HB3 ASP A 108 2.510 3.832 -10.806 1.00 0.72 H new ATOM 843 N ILE A 109 2.658 5.002 -7.687 1.00 0.55 N ATOM 844 CA ILE A 109 3.714 5.798 -6.999 1.00 0.54 C ATOM 845 C ILE A 109 4.322 4.969 -5.865 1.00 0.47 C ATOM 846 O ILE A 109 5.512 5.009 -5.624 1.00 0.53 O ATOM 847 CB ILE A 109 3.102 7.081 -6.432 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.311 7.790 -7.537 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.218 8.003 -5.927 1.00 0.63 C ATOM 850 CD1 ILE A 109 1.842 9.162 -7.046 1.00 1.47 C ATOM 0 H ILE A 109 1.734 5.434 -7.710 1.00 0.55 H new ATOM 0 HA ILE A 109 4.495 6.059 -7.713 1.00 0.54 H new ATOM 0 HB ILE A 109 2.437 6.836 -5.604 1.00 0.59 H new ATOM 0 HG12 ILE A 109 2.933 7.905 -8.425 1.00 0.70 H new ATOM 0 HG13 ILE A 109 1.452 7.185 -7.826 1.00 0.70 H new ATOM 0 HG21 ILE A 109 3.781 8.916 -5.524 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.784 7.495 -5.146 1.00 0.63 H new ATOM 0 HG23 ILE A 109 4.884 8.254 -6.752 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.281 9.659 -7.837 1.00 1.47 H new ATOM 0 HD12 ILE A 109 1.203 9.037 -6.172 1.00 1.47 H new ATOM 0 HD13 ILE A 109 2.708 9.768 -6.779 1.00 1.47 H new ATOM 862 N LEU A 110 3.516 4.216 -5.168 1.00 0.43 N ATOM 863 CA LEU A 110 4.053 3.386 -4.053 1.00 0.39 C ATOM 864 C LEU A 110 5.046 2.365 -4.616 1.00 0.38 C ATOM 865 O LEU A 110 6.234 2.441 -4.376 1.00 0.38 O ATOM 866 CB LEU A 110 2.892 2.656 -3.363 1.00 0.42 C ATOM 867 CG LEU A 110 3.424 1.660 -2.321 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.361 2.374 -1.337 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.239 1.059 -1.557 1.00 0.66 C ATOM 0 H LEU A 110 2.511 4.140 -5.322 1.00 0.43 H new ATOM 0 HA LEU A 110 4.562 4.022 -3.329 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.235 3.380 -2.880 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.294 2.129 -4.106 1.00 0.42 H new ATOM 0 HG LEU A 110 3.981 0.871 -2.826 1.00 0.44 H new ATOM 0 HD11 LEU A 110 4.732 1.658 -0.603 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.202 2.804 -1.882 1.00 0.56 H new ATOM 0 HD13 LEU A 110 3.816 3.168 -0.826 1.00 0.56 H new ATOM 0 HD21 LEU A 110 2.606 0.350 -0.815 1.00 0.66 H new ATOM 0 HD22 LEU A 110 1.687 1.855 -1.057 1.00 0.66 H new ATOM 0 HD23 LEU A 110 1.580 0.544 -2.255 1.00 0.66 H new ATOM 881 N ASP A 111 4.564 1.407 -5.362 1.00 0.40 N ATOM 882 CA ASP A 111 5.472 0.376 -5.940 1.00 0.42 C ATOM 883 C ASP A 111 6.618 1.054 -6.695 1.00 0.43 C ATOM 884 O ASP A 111 7.742 0.593 -6.678 1.00 0.42 O ATOM 885 CB ASP A 111 4.682 -0.511 -6.905 1.00 0.50 C ATOM 886 CG ASP A 111 3.601 -1.270 -6.132 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.599 -1.182 -4.916 1.00 1.19 O ATOM 888 OD2 ASP A 111 2.795 -1.926 -6.770 1.00 1.30 O ATOM 0 H ASP A 111 3.578 1.294 -5.596 1.00 0.40 H new ATOM 0 HA ASP A 111 5.884 -0.232 -5.134 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.226 0.098 -7.685 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.352 -1.214 -7.400 1.00 0.50 H new ATOM 893 N LEU A 112 6.342 2.141 -7.362 1.00 0.48 N ATOM 894 CA LEU A 112 7.416 2.843 -8.121 1.00 0.52 C ATOM 895 C LEU A 112 8.478 3.349 -7.146 1.00 0.48 C ATOM 896 O LEU A 112 9.652 3.071 -7.294 1.00 0.47 O ATOM 897 CB LEU A 112 6.801 4.025 -8.882 1.00 0.60 C ATOM 898 CG LEU A 112 7.885 4.817 -9.628 1.00 0.70 C ATOM 899 CD1 LEU A 112 8.618 3.905 -10.624 1.00 1.45 C ATOM 900 CD2 LEU A 112 7.221 5.974 -10.381 1.00 1.26 C ATOM 0 H LEU A 112 5.420 2.573 -7.414 1.00 0.48 H new ATOM 0 HA LEU A 112 7.880 2.157 -8.830 1.00 0.52 H new ATOM 0 HB2 LEU A 112 6.058 3.660 -9.591 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.280 4.681 -8.184 1.00 0.60 H new ATOM 0 HG LEU A 112 8.610 5.204 -8.912 1.00 0.70 H new ATOM 0 HD11 LEU A 112 9.384 4.478 -11.146 1.00 1.45 H new ATOM 0 HD12 LEU A 112 9.086 3.080 -10.086 1.00 1.45 H new ATOM 0 HD13 LEU A 112 7.905 3.509 -11.347 1.00 1.45 H new ATOM 0 HD21 LEU A 112 7.981 6.544 -10.915 1.00 1.26 H new ATOM 0 HD22 LEU A 112 6.498 5.577 -11.093 1.00 1.26 H new ATOM 0 HD23 LEU A 112 6.711 6.625 -9.671 1.00 1.26 H new ATOM 912 N TRP A 113 8.080 4.088 -6.148 1.00 0.48 N ATOM 913 CA TRP A 113 9.073 4.605 -5.167 1.00 0.48 C ATOM 914 C TRP A 113 9.951 3.445 -4.692 1.00 0.43 C ATOM 915 O TRP A 113 11.157 3.562 -4.600 1.00 0.45 O ATOM 916 CB TRP A 113 8.333 5.217 -3.975 1.00 0.52 C ATOM 917 CG TRP A 113 9.314 5.618 -2.921 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.037 6.761 -2.924 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.688 4.899 -1.712 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.832 6.789 -1.792 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.653 5.662 -1.013 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.288 3.670 -1.159 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.200 5.223 0.192 1.00 0.70 C ATOM 924 CZ3 TRP A 113 9.836 3.223 0.053 1.00 0.58 C ATOM 925 CH2 TRP A 113 10.790 3.998 0.729 1.00 0.67 C ATOM 0 H TRP A 113 7.112 4.356 -5.970 1.00 0.48 H new ATOM 0 HA TRP A 113 9.697 5.368 -5.632 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.758 6.085 -4.299 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.622 4.498 -3.568 1.00 0.52 H new ATOM 0 HD1 TRP A 113 10.000 7.526 -3.685 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.472 7.549 -1.561 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.554 3.066 -1.671 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 11.935 5.824 0.707 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.521 2.277 0.468 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.207 3.650 1.662 1.00 0.67 H new ATOM 936 N ILE A 114 9.353 2.323 -4.401 1.00 0.39 N ATOM 937 CA ILE A 114 10.147 1.149 -3.943 1.00 0.37 C ATOM 938 C ILE A 114 11.139 0.744 -5.039 1.00 0.39 C ATOM 939 O ILE A 114 12.205 0.231 -4.765 1.00 0.44 O ATOM 940 CB ILE A 114 9.197 -0.018 -3.641 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.207 0.417 -2.555 1.00 0.37 C ATOM 942 CG2 ILE A 114 9.999 -1.232 -3.152 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.218 -0.714 -2.265 1.00 1.00 C ATOM 0 H ILE A 114 8.347 2.168 -4.461 1.00 0.39 H new ATOM 0 HA ILE A 114 10.699 1.408 -3.040 1.00 0.37 H new ATOM 0 HB ILE A 114 8.657 -0.294 -4.546 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.746 0.682 -1.645 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.669 1.308 -2.878 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.318 -2.056 -2.940 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.707 -1.535 -3.924 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.543 -0.968 -2.245 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.518 -0.396 -1.492 1.00 1.00 H new ATOM 0 HD12 ILE A 114 6.668 -0.959 -3.174 1.00 1.00 H new ATOM 0 HD13 ILE A 114 7.762 -1.594 -1.922 1.00 1.00 H new ATOM 955 N TYR A 115 10.798 0.960 -6.279 1.00 0.40 N ATOM 956 CA TYR A 115 11.726 0.576 -7.383 1.00 0.46 C ATOM 957 C TYR A 115 13.016 1.410 -7.297 1.00 0.51 C ATOM 958 O TYR A 115 14.102 0.878 -7.185 1.00 0.54 O ATOM 959 CB TYR A 115 11.031 0.819 -8.729 1.00 0.53 C ATOM 960 CG TYR A 115 11.701 -0.001 -9.815 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.605 -1.400 -9.796 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.412 0.637 -10.840 1.00 0.74 C ATOM 963 CE1 TYR A 115 12.222 -2.157 -10.800 1.00 0.65 C ATOM 964 CE2 TYR A 115 13.027 -0.122 -11.843 1.00 0.82 C ATOM 965 CZ TYR A 115 12.932 -1.518 -11.823 1.00 0.77 C ATOM 966 OH TYR A 115 13.539 -2.265 -12.811 1.00 0.87 O ATOM 0 H TYR A 115 9.920 1.385 -6.577 1.00 0.40 H new ATOM 0 HA TYR A 115 11.986 -0.479 -7.293 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.977 0.550 -8.657 1.00 0.53 H new ATOM 0 HB3 TYR A 115 11.073 1.878 -8.983 1.00 0.53 H new ATOM 0 HD1 TYR A 115 11.056 -1.893 -9.008 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.486 1.714 -10.856 1.00 0.74 H new ATOM 0 HE1 TYR A 115 12.150 -3.234 -10.785 1.00 0.65 H new ATOM 0 HE2 TYR A 115 13.575 0.370 -12.633 1.00 0.82 H new ATOM 0 HH TYR A 115 13.989 -1.667 -13.444 1.00 0.87 H new ATOM 976 N HIS A 116 12.901 2.710 -7.361 1.00 0.58 N ATOM 977 CA HIS A 116 14.113 3.588 -7.296 1.00 0.67 C ATOM 978 C HIS A 116 14.820 3.461 -5.939 1.00 0.67 C ATOM 979 O HIS A 116 15.626 4.299 -5.585 1.00 0.81 O ATOM 980 CB HIS A 116 13.688 5.043 -7.504 1.00 0.79 C ATOM 981 CG HIS A 116 13.252 5.240 -8.930 1.00 1.20 C ATOM 982 ND1 HIS A 116 12.828 4.188 -9.725 1.00 1.99 N ATOM 983 CD2 HIS A 116 13.169 6.363 -9.718 1.00 2.05 C ATOM 984 CE1 HIS A 116 12.511 4.693 -10.932 1.00 2.71 C ATOM 985 NE2 HIS A 116 12.701 6.015 -10.981 1.00 2.74 N ATOM 0 H HIS A 116 12.015 3.207 -7.456 1.00 0.58 H new ATOM 0 HA HIS A 116 14.807 3.275 -8.076 1.00 0.67 H new ATOM 0 HB2 HIS A 116 12.873 5.295 -6.825 1.00 0.79 H new ATOM 0 HB3 HIS A 116 14.516 5.712 -7.270 1.00 0.79 H new ATOM 0 HD2 HIS A 116 13.428 7.364 -9.404 1.00 2.05 H new ATOM 0 HE1 HIS A 116 12.148 4.102 -11.760 1.00 2.71 H new ATOM 0 HE2 HIS A 116 12.538 6.635 -11.774 1.00 2.74 H new ATOM 993 N THR A 117 14.540 2.426 -5.177 1.00 0.63 N ATOM 994 CA THR A 117 15.213 2.255 -3.844 1.00 0.68 C ATOM 995 C THR A 117 15.905 0.892 -3.795 1.00 0.66 C ATOM 996 O THR A 117 17.015 0.733 -4.263 1.00 0.73 O ATOM 997 CB THR A 117 14.175 2.331 -2.722 1.00 0.80 C ATOM 998 OG1 THR A 117 13.155 1.368 -2.950 1.00 0.85 O ATOM 999 CG2 THR A 117 13.559 3.730 -2.683 1.00 0.91 C ATOM 0 H THR A 117 13.875 1.692 -5.420 1.00 0.63 H new ATOM 0 HA THR A 117 15.948 3.049 -3.711 1.00 0.68 H new ATOM 0 HB THR A 117 14.661 2.125 -1.768 1.00 0.80 H new ATOM 0 HG1 THR A 117 13.202 1.055 -3.877 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.820 3.780 -1.883 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.341 4.467 -2.502 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.076 3.941 -3.637 1.00 0.91 H new ATOM 1007 N GLN A 118 15.263 -0.097 -3.231 1.00 0.73 N ATOM 1008 CA GLN A 118 15.896 -1.446 -3.158 1.00 0.83 C ATOM 1009 C GLN A 118 15.708 -2.151 -4.503 1.00 0.72 C ATOM 1010 O GLN A 118 16.333 -3.153 -4.787 1.00 0.91 O ATOM 1011 CB GLN A 118 15.237 -2.255 -2.033 1.00 1.06 C ATOM 1012 CG GLN A 118 16.052 -3.525 -1.731 1.00 1.48 C ATOM 1013 CD GLN A 118 15.742 -4.635 -2.748 1.00 2.12 C ATOM 1014 OE1 GLN A 118 16.433 -5.632 -2.791 1.00 2.89 O ATOM 1015 NE2 GLN A 118 14.737 -4.511 -3.574 1.00 2.13 N ATOM 0 H GLN A 118 14.332 -0.030 -2.820 1.00 0.73 H new ATOM 0 HA GLN A 118 16.961 -1.355 -2.946 1.00 0.83 H new ATOM 0 HB2 GLN A 118 15.161 -1.643 -1.134 1.00 1.06 H new ATOM 0 HB3 GLN A 118 14.222 -2.528 -2.320 1.00 1.06 H new ATOM 0 HG2 GLN A 118 17.117 -3.292 -1.755 1.00 1.48 H new ATOM 0 HG3 GLN A 118 15.825 -3.876 -0.724 1.00 1.48 H new ATOM 0 HE21 GLN A 118 14.152 -3.676 -3.544 1.00 2.13 H new ATOM 0 HE22 GLN A 118 14.538 -5.249 -4.249 1.00 2.13 H new ATOM 1024 N GLY A 119 14.868 -1.614 -5.344 1.00 0.86 N ATOM 1025 CA GLY A 119 14.651 -2.224 -6.686 1.00 0.85 C ATOM 1026 C GLY A 119 13.829 -3.511 -6.574 1.00 0.65 C ATOM 1027 O GLY A 119 14.015 -4.435 -7.339 1.00 0.67 O ATOM 0 H GLY A 119 14.320 -0.774 -5.158 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.137 -1.514 -7.334 1.00 0.85 H new ATOM 0 HA3 GLY A 119 15.613 -2.441 -7.151 1.00 0.85 H new ATOM 1031 N TYR A 120 12.908 -3.583 -5.651 1.00 0.54 N ATOM 1032 CA TYR A 120 12.085 -4.820 -5.545 1.00 0.44 C ATOM 1033 C TYR A 120 11.075 -4.826 -6.692 1.00 0.49 C ATOM 1034 O TYR A 120 10.370 -3.863 -6.914 1.00 0.70 O ATOM 1035 CB TYR A 120 11.324 -4.847 -4.211 1.00 0.48 C ATOM 1036 CG TYR A 120 12.234 -5.312 -3.094 1.00 0.52 C ATOM 1037 CD1 TYR A 120 12.780 -6.603 -3.127 1.00 0.58 C ATOM 1038 CD2 TYR A 120 12.522 -4.459 -2.020 1.00 0.60 C ATOM 1039 CE1 TYR A 120 13.615 -7.035 -2.090 1.00 0.71 C ATOM 1040 CE2 TYR A 120 13.357 -4.892 -0.985 1.00 0.71 C ATOM 1041 CZ TYR A 120 13.904 -6.180 -1.019 1.00 0.75 C ATOM 1042 OH TYR A 120 14.728 -6.605 0.001 1.00 0.91 O ATOM 0 H TYR A 120 12.692 -2.850 -4.975 1.00 0.54 H new ATOM 0 HA TYR A 120 12.736 -5.693 -5.595 1.00 0.44 H new ATOM 0 HB2 TYR A 120 10.939 -3.853 -3.985 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.464 -5.512 -4.289 1.00 0.48 H new ATOM 0 HD1 TYR A 120 12.557 -7.263 -3.952 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.099 -3.466 -1.992 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.037 -8.029 -2.116 1.00 0.71 H new ATOM 0 HE2 TYR A 120 13.580 -4.232 -0.159 1.00 0.71 H new ATOM 0 HH TYR A 120 14.187 -6.825 0.788 1.00 0.91 H new ATOM 1052 N PHE A 121 10.990 -5.903 -7.416 1.00 0.48 N ATOM 1053 CA PHE A 121 10.013 -5.955 -8.536 1.00 0.57 C ATOM 1054 C PHE A 121 8.613 -6.174 -7.937 1.00 0.55 C ATOM 1055 O PHE A 121 8.463 -6.935 -7.002 1.00 0.59 O ATOM 1056 CB PHE A 121 10.365 -7.114 -9.476 1.00 0.68 C ATOM 1057 CG PHE A 121 10.785 -8.317 -8.665 1.00 1.42 C ATOM 1058 CD1 PHE A 121 9.816 -9.143 -8.085 1.00 2.32 C ATOM 1059 CD2 PHE A 121 12.145 -8.606 -8.494 1.00 2.33 C ATOM 1060 CE1 PHE A 121 10.205 -10.259 -7.335 1.00 3.44 C ATOM 1061 CE2 PHE A 121 12.534 -9.722 -7.743 1.00 3.43 C ATOM 1062 CZ PHE A 121 11.565 -10.549 -7.164 1.00 3.85 C ATOM 0 H PHE A 121 11.550 -6.745 -7.283 1.00 0.48 H new ATOM 0 HA PHE A 121 10.038 -5.026 -9.106 1.00 0.57 H new ATOM 0 HB2 PHE A 121 9.506 -7.365 -10.098 1.00 0.68 H new ATOM 0 HB3 PHE A 121 11.170 -6.818 -10.149 1.00 0.68 H new ATOM 0 HD1 PHE A 121 8.768 -8.919 -8.216 1.00 2.32 H new ATOM 0 HD2 PHE A 121 12.893 -7.968 -8.941 1.00 2.33 H new ATOM 0 HE1 PHE A 121 9.457 -10.897 -6.888 1.00 3.44 H new ATOM 0 HE2 PHE A 121 13.582 -9.945 -7.611 1.00 3.43 H new ATOM 0 HZ PHE A 121 11.865 -11.410 -6.586 1.00 3.85 H new ATOM 1072 N PRO A 122 7.592 -5.519 -8.442 1.00 0.64 N ATOM 1073 CA PRO A 122 6.211 -5.675 -7.899 1.00 0.67 C ATOM 1074 C PRO A 122 5.530 -6.965 -8.370 1.00 0.73 C ATOM 1075 O PRO A 122 5.062 -7.068 -9.487 1.00 1.19 O ATOM 1076 CB PRO A 122 5.484 -4.445 -8.442 1.00 0.80 C ATOM 1077 CG PRO A 122 6.143 -4.181 -9.756 1.00 1.05 C ATOM 1078 CD PRO A 122 7.617 -4.561 -9.570 1.00 0.87 C ATOM 0 HA PRO A 122 6.205 -5.747 -6.811 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.417 -4.634 -8.562 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.583 -3.594 -7.768 1.00 0.80 H new ATOM 0 HG2 PRO A 122 5.684 -4.772 -10.549 1.00 1.05 H new ATOM 0 HG3 PRO A 122 6.042 -3.133 -10.040 1.00 1.05 H new ATOM 0 HD2 PRO A 122 8.031 -5.014 -10.471 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.230 -3.689 -9.341 1.00 0.87 H new ATOM 1086 N ASP A 123 5.459 -7.935 -7.508 1.00 0.56 N ATOM 1087 CA ASP A 123 4.797 -9.221 -7.855 1.00 0.64 C ATOM 1088 C ASP A 123 4.341 -9.869 -6.550 1.00 0.58 C ATOM 1089 O ASP A 123 4.155 -11.067 -6.461 1.00 0.65 O ATOM 1090 CB ASP A 123 5.784 -10.140 -8.585 1.00 0.74 C ATOM 1091 CG ASP A 123 6.882 -10.600 -7.620 1.00 0.77 C ATOM 1092 OD1 ASP A 123 7.190 -9.852 -6.707 1.00 1.38 O ATOM 1093 OD2 ASP A 123 7.393 -11.690 -7.812 1.00 1.27 O ATOM 0 H ASP A 123 5.837 -7.892 -6.562 1.00 0.56 H new ATOM 0 HA ASP A 123 3.946 -9.050 -8.514 1.00 0.64 H new ATOM 0 HB2 ASP A 123 5.258 -11.005 -8.989 1.00 0.74 H new ATOM 0 HB3 ASP A 123 6.228 -9.613 -9.430 1.00 0.74 H new ATOM 1098 N TRP A 124 4.182 -9.064 -5.528 1.00 0.53 N ATOM 1099 CA TRP A 124 3.759 -9.577 -4.190 1.00 0.52 C ATOM 1100 C TRP A 124 2.504 -8.846 -3.737 1.00 0.51 C ATOM 1101 O TRP A 124 1.733 -9.333 -2.934 1.00 0.55 O ATOM 1102 CB TRP A 124 4.884 -9.309 -3.191 1.00 0.49 C ATOM 1103 CG TRP A 124 5.311 -7.878 -3.313 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.261 -7.412 -4.163 1.00 0.44 C ATOM 1105 CD2 TRP A 124 4.811 -6.718 -2.586 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.378 -6.044 -3.995 1.00 0.42 N ATOM 1107 CE2 TRP A 124 5.506 -5.569 -3.036 1.00 0.41 C ATOM 1108 CE3 TRP A 124 3.834 -6.551 -1.588 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.239 -4.302 -2.516 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 3.564 -5.277 -1.062 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.265 -4.155 -1.526 1.00 0.55 C ATOM 0 H TRP A 124 4.330 -8.056 -5.567 1.00 0.53 H new ATOM 0 HA TRP A 124 3.551 -10.645 -4.250 1.00 0.52 H new ATOM 0 HB2 TRP A 124 4.544 -9.516 -2.176 1.00 0.49 H new ATOM 0 HB3 TRP A 124 5.727 -9.972 -3.386 1.00 0.49 H new ATOM 0 HD1 TRP A 124 6.832 -8.011 -4.857 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.029 -5.457 -4.516 1.00 0.42 H new ATOM 0 HE3 TRP A 124 3.288 -7.408 -1.224 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 5.782 -3.441 -2.877 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 2.812 -5.161 -0.296 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.052 -3.178 -1.118 1.00 0.55 H new ATOM 1122 N GLN A 125 2.302 -7.679 -4.251 1.00 0.53 N ATOM 1123 CA GLN A 125 1.102 -6.884 -3.871 1.00 0.60 C ATOM 1124 C GLN A 125 -0.126 -7.434 -4.598 1.00 0.66 C ATOM 1125 O GLN A 125 -0.306 -7.224 -5.780 1.00 0.84 O ATOM 1126 CB GLN A 125 1.313 -5.417 -4.256 1.00 0.69 C ATOM 1127 CG GLN A 125 0.199 -4.566 -3.643 1.00 1.56 C ATOM 1128 CD GLN A 125 0.451 -3.089 -3.951 1.00 2.18 C ATOM 1129 OE1 GLN A 125 -0.388 -2.423 -4.523 1.00 2.78 O ATOM 1130 NE2 GLN A 125 1.581 -2.543 -3.591 1.00 2.82 N ATOM 0 H GLN A 125 2.920 -7.230 -4.927 1.00 0.53 H new ATOM 0 HA GLN A 125 0.948 -6.955 -2.794 1.00 0.60 H new ATOM 0 HB2 GLN A 125 2.285 -5.073 -3.903 1.00 0.69 H new ATOM 0 HB3 GLN A 125 1.312 -5.310 -5.341 1.00 0.69 H new ATOM 0 HG2 GLN A 125 -0.768 -4.871 -4.044 1.00 1.56 H new ATOM 0 HG3 GLN A 125 0.161 -4.721 -2.565 1.00 1.56 H new ATOM 0 HE21 GLN A 125 2.287 -3.101 -3.110 1.00 2.82 H new ATOM 0 HE22 GLN A 125 1.758 -1.558 -3.790 1.00 2.82 H new ATOM 1139 N ASN A 126 -0.974 -8.138 -3.898 1.00 0.64 N ATOM 1140 CA ASN A 126 -2.195 -8.702 -4.544 1.00 0.72 C ATOM 1141 C ASN A 126 -3.281 -8.891 -3.484 1.00 0.69 C ATOM 1142 O ASN A 126 -3.419 -9.946 -2.900 1.00 1.22 O ATOM 1143 CB ASN A 126 -1.859 -10.052 -5.182 1.00 0.84 C ATOM 1144 CG ASN A 126 -0.987 -9.831 -6.418 1.00 0.89 C ATOM 1145 OD1 ASN A 126 -1.345 -9.076 -7.301 1.00 1.53 O ATOM 1146 ND2 ASN A 126 0.151 -10.462 -6.520 1.00 0.88 N ATOM 0 H ASN A 126 -0.874 -8.347 -2.905 1.00 0.64 H new ATOM 0 HA ASN A 126 -2.551 -8.019 -5.315 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -1.337 -10.685 -4.464 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -2.775 -10.573 -5.459 1.00 0.84 H new ATOM 0 HD21 ASN A 126 0.740 -10.322 -7.341 1.00 0.88 H new ATOM 0 HD22 ASN A 126 0.451 -11.095 -5.779 1.00 0.88 H new ATOM 1153 N TYR A 127 -4.050 -7.871 -3.228 1.00 0.69 N ATOM 1154 CA TYR A 127 -5.125 -7.990 -2.204 1.00 0.61 C ATOM 1155 C TYR A 127 -6.213 -8.939 -2.707 1.00 0.63 C ATOM 1156 O TYR A 127 -6.151 -9.443 -3.810 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.741 -6.616 -1.947 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.730 -5.714 -1.272 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -3.677 -5.164 -2.014 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -4.847 -5.427 0.093 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -2.744 -4.327 -1.391 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -3.913 -4.591 0.716 1.00 1.19 C ATOM 1163 CZ TYR A 127 -2.862 -4.042 -0.026 1.00 1.23 C ATOM 1164 OH TYR A 127 -1.941 -3.217 0.588 1.00 1.48 O ATOM 0 H TYR A 127 -3.981 -6.961 -3.683 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.697 -8.380 -1.281 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -6.066 -6.172 -2.888 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -6.627 -6.717 -1.320 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -3.585 -5.386 -3.067 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -5.658 -5.851 0.666 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -1.933 -3.901 -1.964 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -4.004 -4.370 1.769 1.00 1.19 H new ATOM 0 HH TYR A 127 -2.168 -3.122 1.537 1.00 1.48 H new ATOM 1174 N THR A 128 -7.216 -9.179 -1.906 1.00 0.62 N ATOM 1175 CA THR A 128 -8.314 -10.089 -2.337 1.00 0.68 C ATOM 1176 C THR A 128 -9.086 -9.433 -3.495 1.00 0.75 C ATOM 1177 O THR A 128 -9.165 -8.223 -3.574 1.00 0.97 O ATOM 1178 CB THR A 128 -9.261 -10.332 -1.161 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.637 -9.087 -0.591 1.00 1.22 O ATOM 1180 CG2 THR A 128 -8.555 -11.187 -0.107 1.00 0.90 C ATOM 0 H THR A 128 -7.322 -8.784 -0.972 1.00 0.62 H new ATOM 0 HA THR A 128 -7.898 -11.041 -2.668 1.00 0.68 H new ATOM 0 HB THR A 128 -10.152 -10.853 -1.512 1.00 0.86 H new ATOM 0 HG1 THR A 128 -10.245 -9.242 0.162 1.00 1.22 H new ATOM 0 HG21 THR A 128 -9.229 -11.361 0.732 1.00 0.90 H new ATOM 0 HG22 THR A 128 -8.268 -12.143 -0.546 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.664 -10.668 0.245 1.00 0.90 H new ATOM 1249 N ARG A 134 -10.469 -4.919 1.863 1.00 0.51 N ATOM 1250 CA ARG A 134 -9.529 -5.699 1.008 1.00 0.49 C ATOM 1251 C ARG A 134 -8.278 -6.045 1.826 1.00 0.40 C ATOM 1252 O ARG A 134 -7.450 -5.199 2.107 1.00 0.38 O ATOM 1253 CB ARG A 134 -9.126 -4.856 -0.221 1.00 0.58 C ATOM 1254 CG ARG A 134 -10.200 -4.932 -1.332 1.00 1.06 C ATOM 1255 CD ARG A 134 -9.543 -4.742 -2.705 1.00 1.37 C ATOM 1256 NE ARG A 134 -8.794 -3.455 -2.728 1.00 1.86 N ATOM 1257 CZ ARG A 134 -7.911 -3.233 -3.662 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -7.678 -4.142 -4.568 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -7.259 -2.103 -3.687 1.00 3.36 N ATOM 0 HA ARG A 134 -10.013 -6.615 0.671 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -8.983 -3.818 0.079 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -8.171 -5.210 -0.610 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -10.709 -5.895 -1.293 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -10.957 -4.164 -1.172 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -8.867 -5.571 -2.914 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -10.303 -4.746 -3.486 1.00 1.37 H new ATOM 0 HE ARG A 134 -8.971 -2.748 -2.014 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -8.186 -5.026 -4.546 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -6.988 -3.969 -5.299 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -7.440 -1.394 -2.976 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -6.568 -1.929 -4.417 1.00 3.36 H new ATOM 1273 N TYR A 135 -8.139 -7.289 2.210 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.951 -7.709 3.011 1.00 0.39 C ATOM 1275 C TYR A 135 -5.790 -8.048 2.061 1.00 0.36 C ATOM 1276 O TYR A 135 -6.012 -8.449 0.936 1.00 0.39 O ATOM 1277 CB TYR A 135 -7.318 -8.952 3.828 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.262 -8.563 4.943 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.593 -8.243 4.652 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -7.806 -8.523 6.268 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.469 -7.883 5.683 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -8.682 -8.163 7.299 1.00 0.85 C ATOM 1283 CZ TYR A 135 -10.014 -7.844 7.007 1.00 0.92 C ATOM 1284 OH TYR A 135 -10.878 -7.488 8.022 1.00 1.17 O ATOM 0 H TYR A 135 -8.802 -8.035 2.001 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.650 -6.902 3.679 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.786 -9.698 3.185 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.418 -9.407 4.241 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.945 -8.274 3.631 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -6.779 -8.770 6.493 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.496 -7.635 5.457 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -8.331 -8.131 8.320 1.00 0.85 H new ATOM 0 HH TYR A 135 -10.403 -7.512 8.879 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.558 -7.898 2.501 1.00 0.37 N ATOM 1295 CA PRO A 136 -3.363 -8.207 1.658 1.00 0.38 C ATOM 1296 C PRO A 136 -3.066 -9.710 1.623 1.00 0.37 C ATOM 1297 O PRO A 136 -2.841 -10.327 2.645 1.00 0.38 O ATOM 1298 CB PRO A 136 -2.239 -7.462 2.376 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.624 -7.538 3.815 1.00 0.51 C ATOM 1300 CD PRO A 136 -4.152 -7.418 3.839 1.00 0.44 C ATOM 0 HA PRO A 136 -3.497 -7.912 0.617 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -1.271 -7.929 2.196 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -2.163 -6.429 2.036 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -2.298 -8.478 4.259 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -2.159 -6.736 4.388 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.590 -8.024 4.632 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.471 -6.390 4.010 1.00 0.44 H new ATOM 1308 N LEU A 137 -3.059 -10.308 0.463 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.769 -11.767 0.398 1.00 0.43 C ATOM 1310 C LEU A 137 -1.351 -12.023 0.910 1.00 0.41 C ATOM 1311 O LEU A 137 -1.057 -13.073 1.445 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.886 -12.261 -1.047 1.00 0.51 C ATOM 1313 CG LEU A 137 -4.357 -12.225 -1.502 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -4.455 -12.618 -2.985 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -5.214 -13.181 -0.639 1.00 0.92 C ATOM 0 H LEU A 137 -3.239 -9.855 -0.433 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.488 -12.304 1.017 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -2.279 -11.637 -1.703 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.498 -13.277 -1.125 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.738 -11.212 -1.376 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -5.498 -12.591 -3.301 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.875 -11.917 -3.586 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -4.061 -13.625 -3.121 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -6.251 -13.143 -0.974 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -4.837 -14.199 -0.740 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -5.159 -12.876 0.406 1.00 0.92 H new ATOM 1327 N THR A 138 -0.467 -11.075 0.752 1.00 0.50 N ATOM 1328 CA THR A 138 0.925 -11.283 1.235 1.00 0.55 C ATOM 1329 C THR A 138 0.907 -11.405 2.764 1.00 0.47 C ATOM 1330 O THR A 138 -0.116 -11.235 3.397 1.00 0.50 O ATOM 1331 CB THR A 138 1.812 -10.096 0.800 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.241 -9.483 -0.347 1.00 0.98 O ATOM 1333 CG2 THR A 138 3.226 -10.585 0.463 1.00 1.04 C ATOM 0 H THR A 138 -0.648 -10.172 0.313 1.00 0.50 H new ATOM 0 HA THR A 138 1.336 -12.196 0.805 1.00 0.55 H new ATOM 0 HB THR A 138 1.872 -9.377 1.617 1.00 0.73 H new ATOM 0 HG1 THR A 138 1.778 -9.703 -1.137 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.841 -9.738 0.158 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.667 -11.056 1.342 1.00 1.04 H new ATOM 0 HG23 THR A 138 3.176 -11.309 -0.350 1.00 1.04 H new ATOM 1341 N PHE A 139 2.032 -11.709 3.354 1.00 0.51 N ATOM 1342 CA PHE A 139 2.096 -11.859 4.841 1.00 0.49 C ATOM 1343 C PHE A 139 2.701 -10.617 5.488 1.00 0.65 C ATOM 1344 O PHE A 139 2.011 -9.712 5.915 1.00 1.43 O ATOM 1345 CB PHE A 139 2.956 -13.080 5.184 1.00 0.52 C ATOM 1346 CG PHE A 139 3.091 -13.195 6.687 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.997 -13.608 7.457 1.00 0.67 C ATOM 1348 CD2 PHE A 139 4.307 -12.886 7.309 1.00 0.59 C ATOM 1349 CE1 PHE A 139 2.120 -13.711 8.848 1.00 0.77 C ATOM 1350 CE2 PHE A 139 4.428 -12.991 8.700 1.00 0.62 C ATOM 1351 CZ PHE A 139 3.333 -13.404 9.468 1.00 0.66 C ATOM 0 H PHE A 139 2.916 -11.861 2.868 1.00 0.51 H new ATOM 0 HA PHE A 139 1.084 -11.989 5.224 1.00 0.49 H new ATOM 0 HB2 PHE A 139 2.501 -13.984 4.779 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.940 -12.985 4.726 1.00 0.52 H new ATOM 0 HD1 PHE A 139 1.059 -13.847 6.978 1.00 0.67 H new ATOM 0 HD2 PHE A 139 5.151 -12.567 6.716 1.00 0.59 H new ATOM 0 HE1 PHE A 139 1.276 -14.028 9.442 1.00 0.77 H new ATOM 0 HE2 PHE A 139 5.366 -12.753 9.180 1.00 0.62 H new ATOM 0 HZ PHE A 139 3.426 -13.485 10.541 1.00 0.66 H new ATOM 1361 N GLY A 140 3.990 -10.605 5.582 1.00 0.46 N ATOM 1362 CA GLY A 140 4.721 -9.471 6.225 1.00 0.43 C ATOM 1363 C GLY A 140 4.084 -8.126 5.878 1.00 0.35 C ATOM 1364 O GLY A 140 4.182 -7.178 6.631 1.00 0.32 O ATOM 0 H GLY A 140 4.593 -11.350 5.233 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.724 -9.605 7.307 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.762 -9.477 5.900 1.00 0.43 H new ATOM 1368 N TRP A 141 3.434 -8.021 4.755 1.00 0.34 N ATOM 1369 CA TRP A 141 2.807 -6.714 4.399 1.00 0.29 C ATOM 1370 C TRP A 141 1.587 -6.510 5.287 1.00 0.32 C ATOM 1371 O TRP A 141 0.511 -7.012 5.028 1.00 0.40 O ATOM 1372 CB TRP A 141 2.420 -6.715 2.919 1.00 0.33 C ATOM 1373 CG TRP A 141 2.056 -5.332 2.457 1.00 0.31 C ATOM 1374 CD1 TRP A 141 0.910 -5.032 1.804 1.00 0.35 C ATOM 1375 CD2 TRP A 141 2.802 -4.071 2.571 1.00 0.28 C ATOM 1376 NE1 TRP A 141 0.896 -3.683 1.511 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.034 -3.046 1.961 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.049 -3.708 3.135 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.478 -1.724 1.909 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.494 -2.377 3.080 1.00 0.31 C ATOM 1381 CH2 TRP A 141 3.712 -1.389 2.470 1.00 0.33 C ATOM 0 H TRP A 141 3.309 -8.770 4.074 1.00 0.34 H new ATOM 0 HA TRP A 141 3.507 -5.894 4.560 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.250 -7.095 2.323 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.578 -7.389 2.760 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.130 -5.736 1.552 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.135 -3.213 1.020 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.662 -4.459 3.611 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 1.871 -0.965 1.438 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.448 -2.113 3.512 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.063 -0.368 2.433 1.00 0.33 H new ATOM 1392 N CYS A 142 1.778 -5.805 6.368 1.00 0.31 N ATOM 1393 CA CYS A 142 0.672 -5.583 7.342 1.00 0.40 C ATOM 1394 C CYS A 142 -0.198 -4.383 6.951 1.00 0.39 C ATOM 1395 O CYS A 142 -0.584 -3.603 7.798 1.00 0.48 O ATOM 1396 CB CYS A 142 1.287 -5.345 8.727 1.00 0.47 C ATOM 1397 SG CYS A 142 2.929 -6.106 8.813 1.00 1.45 S ATOM 0 H CYS A 142 2.664 -5.368 6.621 1.00 0.31 H new ATOM 0 HA CYS A 142 0.030 -6.464 7.348 1.00 0.40 H new ATOM 0 HB2 CYS A 142 1.362 -4.275 8.922 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.641 -5.765 9.498 1.00 0.47 H new ATOM 0 HG CYS A 142 3.142 -6.802 7.736 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.517 -4.227 5.695 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.372 -3.068 5.272 1.00 0.40 C ATOM 1405 C TYR A 143 -2.736 -3.595 4.810 1.00 0.43 C ATOM 1406 O TYR A 143 -2.824 -4.509 4.016 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.665 -2.317 4.126 1.00 0.55 C ATOM 1408 CG TYR A 143 0.084 -1.124 4.682 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.629 -0.001 5.108 1.00 2.16 C ATOM 1410 CD2 TYR A 143 1.482 -1.143 4.774 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.051 1.108 5.625 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.163 -0.035 5.292 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.447 1.091 5.717 1.00 3.52 C ATOM 1414 OH TYR A 143 2.118 2.184 6.226 1.00 4.57 O ATOM 0 H TYR A 143 -0.226 -4.848 4.940 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.523 -2.381 6.105 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.026 -2.985 3.613 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -1.397 -1.987 3.388 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.707 0.012 5.038 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.034 -2.012 4.446 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -0.502 1.976 5.953 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.241 -0.049 5.364 1.00 3.14 H new ATOM 0 HH TYR A 143 3.082 2.007 6.221 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.799 -3.013 5.312 1.00 0.39 N ATOM 1425 CA LYS A 144 -5.176 -3.460 4.923 1.00 0.51 C ATOM 1426 C LYS A 144 -5.998 -2.251 4.476 1.00 0.43 C ATOM 1427 O LYS A 144 -6.221 -1.324 5.229 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.863 -4.119 6.128 1.00 0.70 C ATOM 1429 CG LYS A 144 -4.865 -5.002 6.880 1.00 1.21 C ATOM 1430 CD LYS A 144 -5.610 -5.831 7.931 1.00 1.24 C ATOM 1431 CE LYS A 144 -4.670 -6.885 8.514 1.00 1.57 C ATOM 1432 NZ LYS A 144 -3.453 -6.218 9.056 1.00 2.32 N ATOM 0 H LYS A 144 -3.772 -2.242 5.979 1.00 0.39 H new ATOM 0 HA LYS A 144 -5.104 -4.177 4.106 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -6.259 -3.353 6.795 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -6.710 -4.718 5.792 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -4.347 -5.660 6.182 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -4.105 -4.384 7.359 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -5.981 -5.182 8.724 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -6.478 -6.313 7.480 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -5.175 -7.442 9.303 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -4.391 -7.605 7.745 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -2.965 -6.864 9.709 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -2.815 -5.971 8.273 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -3.728 -5.354 9.565 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.455 -2.257 3.255 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.267 -1.113 2.760 1.00 0.37 C ATOM 1448 C LEU A 145 -8.676 -1.206 3.357 1.00 0.38 C ATOM 1449 O LEU A 145 -9.174 -2.283 3.621 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.336 -1.172 1.229 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.959 -0.814 0.621 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.801 -1.492 -0.745 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.838 0.709 0.443 1.00 0.52 C ATOM 0 H LEU A 145 -6.301 -3.005 2.579 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.812 -0.169 3.060 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.635 -2.170 0.909 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -8.095 -0.479 0.864 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.179 -1.163 1.297 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.830 -1.236 -1.168 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.871 -2.573 -0.625 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.590 -1.149 -1.415 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -4.865 0.949 0.014 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.625 1.061 -0.224 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -5.938 1.198 1.412 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.318 -0.084 3.577 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.691 -0.097 4.176 1.00 0.50 C ATOM 1467 C VAL A 146 -11.431 1.191 3.755 1.00 0.59 C ATOM 1468 O VAL A 146 -10.865 2.266 3.810 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.578 -0.092 5.713 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.971 -0.201 6.345 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.724 -1.270 6.197 1.00 0.56 C ATOM 0 H VAL A 146 -8.949 0.844 3.367 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.226 -0.984 3.836 1.00 0.50 H new ATOM 0 HB VAL A 146 -10.106 0.844 6.012 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.879 -0.197 7.431 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.581 0.645 6.029 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.444 -1.129 6.025 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.657 -1.248 7.285 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.183 -2.207 5.881 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.724 -1.194 5.770 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.687 1.106 3.352 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.476 2.309 2.948 1.00 0.81 C ATOM 1483 C PRO A 147 -14.033 3.067 4.161 1.00 0.91 C ATOM 1484 O PRO A 147 -14.754 2.517 4.969 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.617 1.713 2.120 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.868 0.382 2.749 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.500 -0.125 3.226 1.00 0.75 C ATOM 0 HA PRO A 147 -12.872 3.038 2.407 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.505 2.344 2.154 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.338 1.612 1.071 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.564 0.470 3.583 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.313 -0.310 2.034 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.579 -0.651 4.178 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -13.061 -0.822 2.512 1.00 0.75 H new ATOM 1780 N LEU A 181 -9.947 3.996 -1.371 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.734 3.344 -0.036 1.00 0.52 C ATOM 1782 C LEU A 181 -8.463 3.897 0.614 1.00 0.47 C ATOM 1783 O LEU A 181 -7.620 4.456 -0.048 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.556 1.832 -0.235 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.725 1.244 -1.059 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.265 -0.026 -1.782 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.892 0.896 -0.129 1.00 0.87 C ATOM 0 HA LEU A 181 -10.595 3.547 0.601 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.612 1.636 -0.744 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.504 1.337 0.735 1.00 0.60 H new ATOM 0 HG LEU A 181 -11.048 1.985 -1.791 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.093 -0.435 -2.361 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.439 0.215 -2.451 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -9.935 -0.763 -1.049 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.713 0.482 -0.715 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.564 0.161 0.607 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.230 1.797 0.384 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.318 3.732 1.910 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.090 4.228 2.618 1.00 0.45 C ATOM 1801 C GLU A 182 -6.278 3.051 3.152 1.00 0.42 C ATOM 1802 O GLU A 182 -6.810 2.074 3.635 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.500 5.134 3.782 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.652 4.485 4.551 1.00 0.56 C ATOM 1805 CD GLU A 182 -8.825 5.182 5.901 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -8.339 6.293 6.039 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -9.441 4.594 6.774 1.00 1.62 O ATOM 0 H GLU A 182 -9.002 3.272 2.511 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.479 4.791 1.913 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -6.651 5.297 4.446 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -7.804 6.111 3.407 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.574 4.556 3.973 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.450 3.424 4.701 1.00 0.56 H new ATOM 1814 N TRP A 183 -4.980 3.158 3.064 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.087 2.073 3.554 1.00 0.38 C ATOM 1816 C TRP A 183 -4.121 2.057 5.088 1.00 0.37 C ATOM 1817 O TRP A 183 -3.675 2.983 5.735 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.653 2.366 3.077 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.435 1.845 1.690 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.399 0.538 1.344 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.204 2.599 0.466 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.153 0.444 -0.016 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.025 1.688 -0.601 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.129 3.974 0.185 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.778 2.129 -1.904 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -1.881 4.422 -1.123 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -1.703 3.501 -2.165 1.00 0.41 C ATOM 0 H TRP A 183 -4.495 3.963 2.668 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.416 1.107 3.171 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.470 3.440 3.099 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -1.937 1.907 3.759 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.539 -0.295 2.017 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -2.076 -0.437 -0.524 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.263 4.692 0.981 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.646 1.415 -2.704 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -1.827 5.481 -1.327 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.508 3.851 -3.168 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.647 1.012 5.678 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.708 0.944 7.173 1.00 0.35 C ATOM 1840 C ARG A 184 -3.469 0.203 7.696 1.00 0.31 C ATOM 1841 O ARG A 184 -3.370 -1.006 7.614 1.00 0.31 O ATOM 1842 CB ARG A 184 -5.993 0.202 7.596 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.523 0.764 8.924 1.00 0.98 C ATOM 1844 CD ARG A 184 -5.463 0.609 10.017 1.00 1.51 C ATOM 1845 NE ARG A 184 -6.041 1.023 11.327 1.00 1.57 N ATOM 1846 CZ ARG A 184 -5.434 0.708 12.438 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -4.330 0.013 12.404 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -5.932 1.087 13.582 1.00 2.61 N ATOM 0 H ARG A 184 -5.036 0.204 5.191 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.724 1.950 7.593 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.752 0.306 6.821 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -5.788 -0.863 7.701 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -6.784 1.816 8.805 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -7.434 0.240 9.212 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -5.124 -0.426 10.067 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -4.591 1.219 9.783 1.00 1.51 H new ATOM 0 HE ARG A 184 -6.912 1.553 11.355 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -3.942 -0.284 11.509 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -3.855 -0.233 13.273 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -6.796 1.629 13.608 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -5.458 0.841 14.451 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.523 0.927 8.228 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.281 0.286 8.757 1.00 0.31 C ATOM 1864 C PHE A 185 -1.610 -0.549 10.008 1.00 0.31 C ATOM 1865 O PHE A 185 -2.303 -0.102 10.901 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.273 1.395 9.102 1.00 0.40 C ATOM 1867 CG PHE A 185 0.844 0.870 9.977 1.00 0.44 C ATOM 1868 CD1 PHE A 185 2.005 0.346 9.397 1.00 0.62 C ATOM 1869 CD2 PHE A 185 0.722 0.928 11.370 1.00 0.65 C ATOM 1870 CE1 PHE A 185 3.044 -0.121 10.212 1.00 0.74 C ATOM 1871 CE2 PHE A 185 1.760 0.458 12.184 1.00 0.75 C ATOM 1872 CZ PHE A 185 2.921 -0.065 11.605 1.00 0.71 C ATOM 0 H PHE A 185 -2.555 1.942 8.321 1.00 0.31 H new ATOM 0 HA PHE A 185 -0.854 -0.381 8.008 1.00 0.31 H new ATOM 0 HB2 PHE A 185 0.145 1.808 8.184 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.786 2.210 9.613 1.00 0.40 H new ATOM 0 HD1 PHE A 185 2.100 0.302 8.322 1.00 0.62 H new ATOM 0 HD2 PHE A 185 -0.173 1.335 11.817 1.00 0.65 H new ATOM 0 HE1 PHE A 185 3.941 -0.525 9.765 1.00 0.74 H new ATOM 0 HE2 PHE A 185 1.664 0.499 13.259 1.00 0.75 H new ATOM 0 HZ PHE A 185 3.722 -0.426 12.233 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.119 -1.762 10.067 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.399 -2.638 11.239 1.00 0.32 C ATOM 1884 C ASP A 186 -0.270 -3.674 11.382 1.00 0.30 C ATOM 1885 O ASP A 186 -0.480 -4.850 11.192 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.723 -3.355 10.987 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.295 -3.882 12.305 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -2.525 -4.058 13.235 1.00 1.16 O ATOM 1889 OD2 ASP A 186 -4.495 -4.101 12.363 1.00 1.23 O ATOM 0 H ASP A 186 -0.532 -2.183 9.347 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.457 -2.047 12.153 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.433 -2.671 10.521 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.572 -4.180 10.291 1.00 0.37 H new ATOM 1894 N SER A 187 0.919 -3.226 11.704 1.00 0.33 N ATOM 1895 CA SER A 187 2.099 -4.146 11.850 1.00 0.34 C ATOM 1896 C SER A 187 1.759 -5.414 12.649 1.00 0.35 C ATOM 1897 O SER A 187 2.581 -6.300 12.777 1.00 0.37 O ATOM 1898 CB SER A 187 3.221 -3.399 12.569 1.00 0.40 C ATOM 1899 OG SER A 187 4.163 -4.338 13.072 1.00 1.32 O ATOM 0 H SER A 187 1.129 -2.243 11.876 1.00 0.33 H new ATOM 0 HA SER A 187 2.403 -4.455 10.850 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.710 -2.707 11.884 1.00 0.40 H new ATOM 0 HB3 SER A 187 2.812 -2.803 13.385 1.00 0.40 H new ATOM 0 HG SER A 187 4.995 -4.273 12.559 1.00 1.32 H new ATOM 1905 N ARG A 188 0.578 -5.530 13.189 1.00 0.40 N ATOM 1906 CA ARG A 188 0.251 -6.760 13.967 1.00 0.46 C ATOM 1907 C ARG A 188 0.301 -7.981 13.038 1.00 0.42 C ATOM 1908 O ARG A 188 0.564 -9.088 13.465 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.152 -6.632 14.574 1.00 0.58 C ATOM 1910 CG ARG A 188 -1.320 -7.652 15.705 1.00 1.40 C ATOM 1911 CD ARG A 188 -2.676 -7.448 16.384 1.00 1.75 C ATOM 1912 NE ARG A 188 -2.835 -8.442 17.484 1.00 2.37 N ATOM 1913 CZ ARG A 188 -3.763 -8.276 18.386 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -4.550 -7.238 18.328 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -3.903 -9.147 19.348 1.00 3.87 N ATOM 0 H ARG A 188 -0.167 -4.837 13.128 1.00 0.40 H new ATOM 0 HA ARG A 188 0.978 -6.884 14.769 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.303 -5.622 14.956 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -1.908 -6.798 13.806 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -1.250 -8.665 15.308 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -0.517 -7.538 16.433 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -2.747 -6.435 16.781 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -3.480 -7.562 15.657 1.00 1.75 H new ATOM 0 HE ARG A 188 -2.218 -9.253 17.531 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -4.440 -6.556 17.578 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -5.276 -7.108 19.033 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -3.287 -9.958 19.395 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -4.629 -9.016 20.053 1.00 3.87 H new ATOM 1929 N LEU A 189 0.057 -7.785 11.770 1.00 0.43 N ATOM 1930 CA LEU A 189 0.095 -8.927 10.809 1.00 0.46 C ATOM 1931 C LEU A 189 1.521 -9.497 10.765 1.00 0.41 C ATOM 1932 O LEU A 189 1.783 -10.494 10.124 1.00 0.46 O ATOM 1933 CB LEU A 189 -0.326 -8.420 9.412 1.00 0.57 C ATOM 1934 CG LEU A 189 -1.179 -9.468 8.682 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -1.660 -8.886 7.351 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -0.345 -10.724 8.416 1.00 1.78 C ATOM 0 H LEU A 189 -0.168 -6.880 11.356 1.00 0.43 H new ATOM 0 HA LEU A 189 -0.591 -9.713 11.124 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -0.890 -7.492 9.512 1.00 0.57 H new ATOM 0 HB3 LEU A 189 0.561 -8.192 8.821 1.00 0.57 H new ATOM 0 HG LEU A 189 -2.036 -9.732 9.302 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -2.266 -9.626 6.828 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.258 -7.994 7.539 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -0.799 -8.623 6.737 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -0.956 -11.463 7.898 1.00 1.78 H new ATOM 0 HD22 LEU A 189 0.515 -10.466 7.797 1.00 1.78 H new ATOM 0 HD23 LEU A 189 0.001 -11.138 9.363 1.00 1.78 H new ATOM 1948 N ALA A 190 2.442 -8.871 11.442 1.00 0.37 N ATOM 1949 CA ALA A 190 3.841 -9.382 11.433 1.00 0.42 C ATOM 1950 C ALA A 190 3.911 -10.645 12.288 1.00 0.44 C ATOM 1951 O ALA A 190 4.966 -11.211 12.492 1.00 0.53 O ATOM 1952 CB ALA A 190 4.775 -8.316 12.013 1.00 0.47 C ATOM 0 H ALA A 190 2.288 -8.031 11.999 1.00 0.37 H new ATOM 0 HA ALA A 190 4.147 -9.611 10.412 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.800 -8.688 12.007 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.714 -7.411 11.408 1.00 0.47 H new ATOM 0 HB3 ALA A 190 4.477 -8.089 13.037 1.00 0.47 H new ATOM 1958 N PHE A 191 2.785 -11.091 12.791 1.00 0.42 N ATOM 1959 CA PHE A 191 2.766 -12.325 13.640 1.00 0.51 C ATOM 1960 C PHE A 191 1.579 -13.208 13.243 1.00 0.56 C ATOM 1961 O PHE A 191 1.745 -14.275 12.687 1.00 0.96 O ATOM 1962 CB PHE A 191 2.633 -11.926 15.112 1.00 0.58 C ATOM 1963 CG PHE A 191 3.560 -10.769 15.409 1.00 1.14 C ATOM 1964 CD1 PHE A 191 4.937 -10.990 15.527 1.00 1.81 C ATOM 1965 CD2 PHE A 191 3.041 -9.477 15.571 1.00 1.98 C ATOM 1966 CE1 PHE A 191 5.797 -9.920 15.805 1.00 2.75 C ATOM 1967 CE2 PHE A 191 3.901 -8.408 15.849 1.00 2.87 C ATOM 1968 CZ PHE A 191 5.278 -8.629 15.967 1.00 3.15 C ATOM 0 H PHE A 191 1.875 -10.652 12.650 1.00 0.42 H new ATOM 0 HA PHE A 191 3.693 -12.879 13.492 1.00 0.51 H new ATOM 0 HB2 PHE A 191 1.603 -11.646 15.332 1.00 0.58 H new ATOM 0 HB3 PHE A 191 2.876 -12.774 15.753 1.00 0.58 H new ATOM 0 HD1 PHE A 191 5.337 -11.986 15.404 1.00 1.81 H new ATOM 0 HD2 PHE A 191 1.978 -9.306 15.481 1.00 1.98 H new ATOM 0 HE1 PHE A 191 6.860 -10.090 15.894 1.00 2.75 H new ATOM 0 HE2 PHE A 191 3.502 -7.412 15.972 1.00 2.87 H new ATOM 0 HZ PHE A 191 5.941 -7.804 16.183 1.00 3.15 H new ATOM 1978 N HIS A 192 0.383 -12.775 13.534 1.00 0.64 N ATOM 1979 CA HIS A 192 -0.814 -13.593 13.184 1.00 0.72 C ATOM 1980 C HIS A 192 -1.065 -13.534 11.676 1.00 0.67 C ATOM 1981 O HIS A 192 -0.258 -13.032 10.920 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.035 -13.049 13.927 1.00 1.01 C ATOM 1983 CG HIS A 192 -1.786 -13.113 15.408 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -0.673 -13.742 15.942 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -2.497 -12.633 16.480 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -0.745 -13.624 17.281 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -1.837 -12.957 17.663 1.00 3.35 N ATOM 0 H HIS A 192 0.182 -11.890 13.999 1.00 0.64 H new ATOM 0 HA HIS A 192 -0.638 -14.629 13.475 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.231 -12.020 13.624 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -2.920 -13.631 13.670 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -3.427 -12.087 16.416 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -0.008 -14.021 17.964 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -2.125 -12.733 18.615 1.00 3.35 H new ATOM 1995 N HIS A 193 -2.183 -14.048 11.235 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.496 -14.029 9.776 1.00 0.85 C ATOM 1997 C HIS A 193 -4.014 -14.134 9.588 1.00 0.74 C ATOM 1998 O HIS A 193 -4.572 -15.213 9.557 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.807 -15.216 9.097 1.00 1.28 C ATOM 2000 CG HIS A 193 -1.938 -16.438 9.965 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -3.061 -16.678 10.741 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -1.094 -17.496 10.191 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -2.864 -17.840 11.391 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -1.680 -18.381 11.091 1.00 3.87 N ATOM 0 H HIS A 193 -2.894 -14.481 11.824 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.138 -13.101 9.330 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -2.256 -15.401 8.121 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -0.755 -14.990 8.926 1.00 1.28 H new ATOM 0 HD1 HIS A 193 -3.886 -16.082 10.807 1.00 2.84 H new ATOM 0 HD2 HIS A 193 -0.122 -17.623 9.739 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -3.576 -18.281 12.072 1.00 3.75 H new ATOM 2012 N MET A 194 -4.688 -13.023 9.470 1.00 0.73 N ATOM 2013 CA MET A 194 -6.168 -13.064 9.294 1.00 0.79 C ATOM 2014 C MET A 194 -6.519 -13.397 7.842 1.00 0.75 C ATOM 2015 O MET A 194 -7.393 -14.197 7.576 1.00 0.90 O ATOM 2016 CB MET A 194 -6.762 -11.700 9.658 1.00 0.91 C ATOM 2017 CG MET A 194 -6.589 -11.446 11.157 1.00 1.47 C ATOM 2018 SD MET A 194 -4.848 -11.100 11.512 1.00 2.35 S ATOM 2019 CE MET A 194 -5.096 -10.337 13.134 1.00 2.94 C ATOM 0 H MET A 194 -4.279 -12.089 9.488 1.00 0.73 H new ATOM 0 HA MET A 194 -6.581 -13.834 9.946 1.00 0.79 H new ATOM 0 HB2 MET A 194 -6.269 -10.914 9.087 1.00 0.91 H new ATOM 0 HB3 MET A 194 -7.819 -11.671 9.394 1.00 0.91 H new ATOM 0 HG2 MET A 194 -7.209 -10.605 11.468 1.00 1.47 H new ATOM 0 HG3 MET A 194 -6.922 -12.315 11.725 1.00 1.47 H new ATOM 0 HE1 MET A 194 -4.132 -10.040 13.548 1.00 2.94 H new ATOM 0 HE2 MET A 194 -5.732 -9.458 13.029 1.00 2.94 H new ATOM 0 HE3 MET A 194 -5.573 -11.053 13.804 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.853 -12.787 6.900 1.00 0.66 N ATOM 2030 CA ALA A 195 -6.161 -13.064 5.466 1.00 0.76 C ATOM 2031 C ALA A 195 -6.239 -14.576 5.234 1.00 0.90 C ATOM 2032 O ALA A 195 -7.014 -15.052 4.424 1.00 1.11 O ATOM 2033 CB ALA A 195 -5.061 -12.470 4.585 1.00 0.82 C ATOM 0 H ALA A 195 -5.109 -12.108 7.060 1.00 0.66 H new ATOM 0 HA ALA A 195 -7.119 -12.611 5.211 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -5.285 -12.672 3.538 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -5.009 -11.393 4.744 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -4.103 -12.921 4.845 1.00 0.82 H new