USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 580 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 82 GLN : amide:sc= 0.545 K(o=1.4,f=-0.26) USER MOD Set 1.2: A 85 GLN : amide:sc= 0.813 K(o=1.4,f=0.28) USER MOD Set 2.1: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 72 MET CE :methyl 167:sc= -0.149 (180deg=-0.721) USER MOD Set 3.1: A 61 SER OG : rot 180:sc= 0.491 USER MOD Set 3.2: A 64 LYS NZ :NH3+ -125:sc= 0.539 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.1) USER MOD Single : A 54 ASN : amide:sc= 0.123 X(o=0.12,f=-0.0055) USER MOD Single : A 56 GLN : amide:sc= -0.0989 X(o=-0.099,f=-0.2) USER MOD Single : A 62 MET CE :methyl -164:sc= -0.0886 (180deg=-0.574) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.598 X(o=-0.6,f=-1.1) USER MOD Single : A 68 THR OG1 : rot 110:sc= 1.23 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0934 USER MOD Single : A 77 GLN : amide:sc= -2.06 K(o=-2.1,f=-0.81) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -1.22 K(o=-1.2,f=-2.1) USER MOD Single : A 87 ASN : amide:sc= -0.956 K(o=-0.96,f=-1.8) USER MOD Single : A 89 ASN : amide:sc= -0.982 K(o=-0.98,f=0) USER MOD Single : A 90 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.19) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -121:sc= 0.0199 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 168:sc= -0.11 (180deg=-0.173) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 279 N VAL A 21 -9.996 8.168 2.562 1.00 43.44 N ATOM 280 CA VAL A 21 -9.921 6.799 3.039 1.00 63.34 C ATOM 281 C VAL A 21 -8.799 6.072 2.286 1.00 71.24 C ATOM 282 O VAL A 21 -8.486 6.413 1.138 1.00 50.20 O ATOM 283 CB VAL A 21 -11.329 6.201 2.877 1.00 54.11 C ATOM 284 CG1 VAL A 21 -11.753 6.106 1.399 1.00 22.15 C ATOM 285 CG2 VAL A 21 -11.495 4.872 3.611 1.00 13.35 C ATOM 0 HA VAL A 21 -9.653 6.707 4.091 1.00 63.34 H new ATOM 0 HB VAL A 21 -12.013 6.900 3.358 1.00 54.11 H new ATOM 0 HG11 VAL A 21 -12.753 5.678 1.334 1.00 22.15 H new ATOM 0 HG12 VAL A 21 -11.755 7.102 0.956 1.00 22.15 H new ATOM 0 HG13 VAL A 21 -11.051 5.471 0.859 1.00 22.15 H new ATOM 0 HG21 VAL A 21 -12.508 4.498 3.461 1.00 13.35 H new ATOM 0 HG22 VAL A 21 -10.779 4.149 3.220 1.00 13.35 H new ATOM 0 HG23 VAL A 21 -11.317 5.020 4.676 1.00 13.35 H new ATOM 295 N LEU A 22 -8.159 5.103 2.941 1.00 3.02 N ATOM 296 CA LEU A 22 -7.097 4.297 2.338 1.00 1.34 C ATOM 297 C LEU A 22 -7.647 3.272 1.325 1.00 73.53 C ATOM 298 O LEU A 22 -8.856 3.004 1.317 1.00 50.00 O ATOM 299 CB LEU A 22 -6.252 3.611 3.425 1.00 11.22 C ATOM 300 CG LEU A 22 -5.202 4.603 3.975 1.00 22.13 C ATOM 301 CD1 LEU A 22 -5.529 4.956 5.401 1.00 21.11 C ATOM 302 CD2 LEU A 22 -3.789 4.042 3.990 1.00 25.15 C ATOM 0 H LEU A 22 -8.363 4.854 3.909 1.00 3.02 H new ATOM 0 HA LEU A 22 -6.452 4.974 1.779 1.00 1.34 H new ATOM 0 HB2 LEU A 22 -6.895 3.263 4.233 1.00 11.22 H new ATOM 0 HB3 LEU A 22 -5.755 2.733 3.012 1.00 11.22 H new ATOM 0 HG LEU A 22 -5.238 5.464 3.308 1.00 22.13 H new ATOM 0 HD11 LEU A 22 -4.785 5.655 5.782 1.00 21.11 H new ATOM 0 HD12 LEU A 22 -6.516 5.416 5.445 1.00 21.11 H new ATOM 0 HD13 LEU A 22 -5.523 4.052 6.010 1.00 21.11 H new ATOM 0 HD21 LEU A 22 -3.104 4.791 4.388 1.00 25.15 H new ATOM 0 HD22 LEU A 22 -3.758 3.152 4.618 1.00 25.15 H new ATOM 0 HD23 LEU A 22 -3.491 3.780 2.975 1.00 25.15 H new ATOM 313 N PRO A 23 -6.783 2.677 0.476 1.00 34.31 N ATOM 314 CA PRO A 23 -7.084 1.476 -0.323 1.00 21.12 C ATOM 315 C PRO A 23 -7.406 0.238 0.548 1.00 25.15 C ATOM 316 O PRO A 23 -7.284 0.300 1.779 1.00 22.45 O ATOM 317 CB PRO A 23 -5.860 1.281 -1.238 1.00 32.34 C ATOM 318 CG PRO A 23 -4.734 2.071 -0.589 1.00 21.21 C ATOM 319 CD PRO A 23 -5.435 3.162 0.201 1.00 62.53 C ATOM 0 HA PRO A 23 -7.993 1.604 -0.911 1.00 21.12 H new ATOM 0 HB2 PRO A 23 -5.599 0.226 -1.325 1.00 32.34 H new ATOM 0 HB3 PRO A 23 -6.062 1.643 -2.246 1.00 32.34 H new ATOM 0 HG2 PRO A 23 -4.129 1.438 0.060 1.00 21.21 H new ATOM 0 HG3 PRO A 23 -4.063 2.493 -1.338 1.00 21.21 H new ATOM 0 HD2 PRO A 23 -4.902 3.372 1.128 1.00 62.53 H new ATOM 0 HD3 PRO A 23 -5.466 4.092 -0.366 1.00 62.53 H new ATOM 324 N PRO A 24 -7.849 -0.885 -0.057 1.00 64.41 N ATOM 325 CA PRO A 24 -8.106 -2.151 0.641 1.00 4.01 C ATOM 326 C PRO A 24 -6.795 -2.831 1.064 1.00 30.13 C ATOM 327 O PRO A 24 -5.720 -2.275 0.876 1.00 31.32 O ATOM 328 CB PRO A 24 -8.928 -2.991 -0.345 1.00 14.45 C ATOM 329 CG PRO A 24 -8.423 -2.514 -1.702 1.00 14.41 C ATOM 330 CD PRO A 24 -8.140 -1.036 -1.480 1.00 71.13 C ATOM 0 HA PRO A 24 -8.651 -2.009 1.574 1.00 4.01 H new ATOM 0 HB2 PRO A 24 -8.760 -4.059 -0.204 1.00 14.45 H new ATOM 0 HB3 PRO A 24 -9.998 -2.818 -0.229 1.00 14.45 H new ATOM 0 HG2 PRO A 24 -7.526 -3.052 -2.008 1.00 14.41 H new ATOM 0 HG3 PRO A 24 -9.168 -2.667 -2.483 1.00 14.41 H new ATOM 0 HD2 PRO A 24 -7.297 -0.706 -2.087 1.00 71.13 H new ATOM 0 HD3 PRO A 24 -8.998 -0.428 -1.768 1.00 71.13 H new ATOM 335 N THR A 25 -6.851 -4.017 1.669 1.00 74.32 N ATOM 336 CA THR A 25 -5.669 -4.727 2.163 1.00 43.02 C ATOM 337 C THR A 25 -5.955 -6.232 2.108 1.00 53.44 C ATOM 338 O THR A 25 -7.126 -6.604 2.253 1.00 24.43 O ATOM 339 CB THR A 25 -5.303 -4.261 3.601 1.00 2.21 C ATOM 340 OG1 THR A 25 -6.262 -3.368 4.161 1.00 51.34 O ATOM 341 CG2 THR A 25 -3.950 -3.538 3.625 1.00 5.12 C ATOM 0 H THR A 25 -7.725 -4.517 1.832 1.00 74.32 H new ATOM 0 HA THR A 25 -4.806 -4.502 1.536 1.00 43.02 H new ATOM 0 HB THR A 25 -5.273 -5.176 4.192 1.00 2.21 H new ATOM 0 HG1 THR A 25 -5.981 -3.111 5.064 1.00 51.34 H new ATOM 0 HG21 THR A 25 -3.723 -3.225 4.644 1.00 5.12 H new ATOM 0 HG22 THR A 25 -3.171 -4.213 3.270 1.00 5.12 H new ATOM 0 HG23 THR A 25 -3.994 -2.662 2.978 1.00 5.12 H new ATOM 349 N PRO A 26 -4.935 -7.095 1.938 1.00 4.24 N ATOM 350 CA PRO A 26 -5.145 -8.532 1.853 1.00 2.05 C ATOM 351 C PRO A 26 -5.743 -9.079 3.149 1.00 2.44 C ATOM 352 O PRO A 26 -5.449 -8.589 4.241 1.00 65.52 O ATOM 353 CB PRO A 26 -3.775 -9.146 1.552 1.00 22.25 C ATOM 354 CG PRO A 26 -2.761 -8.072 1.920 1.00 34.44 C ATOM 355 CD PRO A 26 -3.524 -6.761 1.812 1.00 41.43 C ATOM 0 HA PRO A 26 -5.860 -8.785 1.070 1.00 2.05 H new ATOM 0 HB2 PRO A 26 -3.615 -10.054 2.134 1.00 22.25 H new ATOM 0 HB3 PRO A 26 -3.691 -9.422 0.501 1.00 22.25 H new ATOM 0 HG2 PRO A 26 -2.374 -8.222 2.928 1.00 34.44 H new ATOM 0 HG3 PRO A 26 -1.906 -8.088 1.245 1.00 34.44 H new ATOM 0 HD2 PRO A 26 -3.218 -6.068 2.595 1.00 41.43 H new ATOM 0 HD3 PRO A 26 -3.324 -6.273 0.858 1.00 41.43 H new ATOM 360 N LYS A 27 -6.505 -10.167 3.041 1.00 30.32 N ATOM 361 CA LYS A 27 -7.237 -10.832 4.128 1.00 51.44 C ATOM 362 C LYS A 27 -6.352 -11.641 5.061 1.00 31.50 C ATOM 363 O LYS A 27 -6.775 -12.642 5.649 1.00 5.42 O ATOM 364 CB LYS A 27 -8.445 -11.606 3.576 1.00 23.20 C ATOM 365 CG LYS A 27 -8.057 -12.636 2.508 1.00 63.35 C ATOM 366 CD LYS A 27 -9.246 -13.547 2.195 1.00 31.43 C ATOM 367 CE LYS A 27 -9.066 -14.232 0.842 1.00 50.12 C ATOM 368 NZ LYS A 27 -10.011 -15.351 0.667 1.00 10.32 N ATOM 0 H LYS A 27 -6.638 -10.637 2.145 1.00 30.32 H new ATOM 0 HA LYS A 27 -7.632 -10.050 4.777 1.00 51.44 H new ATOM 0 HB2 LYS A 27 -8.950 -12.114 4.397 1.00 23.20 H new ATOM 0 HB3 LYS A 27 -9.159 -10.900 3.151 1.00 23.20 H new ATOM 0 HG2 LYS A 27 -7.732 -12.126 1.601 1.00 63.35 H new ATOM 0 HG3 LYS A 27 -7.214 -13.233 2.857 1.00 63.35 H new ATOM 0 HD2 LYS A 27 -9.349 -14.299 2.977 1.00 31.43 H new ATOM 0 HD3 LYS A 27 -10.166 -12.963 2.192 1.00 31.43 H new ATOM 0 HE2 LYS A 27 -9.212 -13.504 0.044 1.00 50.12 H new ATOM 0 HE3 LYS A 27 -8.044 -14.601 0.754 1.00 50.12 H new ATOM 0 HZ1 LYS A 27 -9.859 -15.792 -0.263 1.00 10.32 H new ATOM 0 HZ2 LYS A 27 -9.855 -16.057 1.414 1.00 10.32 H new ATOM 0 HZ3 LYS A 27 -10.986 -14.994 0.726 1.00 10.32 H new ATOM 378 N ASN A 28 -5.106 -11.208 5.172 1.00 74.23 N ATOM 379 CA ASN A 28 -4.100 -11.740 6.031 1.00 50.04 C ATOM 380 C ASN A 28 -3.926 -10.693 7.110 1.00 53.15 C ATOM 381 O ASN A 28 -4.131 -10.996 8.287 1.00 65.35 O ATOM 382 CB ASN A 28 -2.824 -12.036 5.225 1.00 23.30 C ATOM 383 CG ASN A 28 -2.975 -13.368 4.512 1.00 41.21 C ATOM 384 OD1 ASN A 28 -2.337 -14.354 4.890 1.00 72.32 O ATOM 385 ND2 ASN A 28 -3.866 -13.420 3.533 1.00 34.42 N ATOM 0 H ASN A 28 -4.764 -10.422 4.620 1.00 74.23 H new ATOM 0 HA ASN A 28 -4.362 -12.696 6.484 1.00 50.04 H new ATOM 0 HB2 ASN A 28 -2.646 -11.241 4.500 1.00 23.30 H new ATOM 0 HB3 ASN A 28 -1.960 -12.062 5.888 1.00 23.30 H new ATOM 0 HD21 ASN A 28 -4.049 -14.303 3.056 1.00 34.42 H new ATOM 0 HD22 ASN A 28 -4.369 -12.577 3.256 1.00 34.42 H new ATOM 391 N ILE A 29 -3.542 -9.464 6.735 1.00 31.31 N ATOM 392 CA ILE A 29 -3.120 -8.471 7.705 1.00 72.21 C ATOM 393 C ILE A 29 -3.482 -7.045 7.226 1.00 45.02 C ATOM 394 O ILE A 29 -3.476 -6.795 6.017 1.00 5.25 O ATOM 395 CB ILE A 29 -1.609 -8.637 7.995 1.00 70.40 C ATOM 396 CG1 ILE A 29 -0.657 -8.110 6.904 1.00 5.12 C ATOM 397 CG2 ILE A 29 -1.172 -10.069 8.338 1.00 30.32 C ATOM 398 CD1 ILE A 29 -0.610 -8.882 5.582 1.00 13.41 C ATOM 0 H ILE A 29 -3.519 -9.145 5.767 1.00 31.31 H new ATOM 0 HA ILE A 29 -3.655 -8.625 8.642 1.00 72.21 H new ATOM 0 HB ILE A 29 -1.512 -8.003 8.877 1.00 70.40 H new ATOM 0 HG12 ILE A 29 -0.934 -7.079 6.683 1.00 5.12 H new ATOM 0 HG13 ILE A 29 0.351 -8.087 7.318 1.00 5.12 H new ATOM 0 HG21 ILE A 29 -0.098 -10.087 8.525 1.00 30.32 H new ATOM 0 HG22 ILE A 29 -1.701 -10.407 9.229 1.00 30.32 H new ATOM 0 HG23 ILE A 29 -1.406 -10.730 7.504 1.00 30.32 H new ATOM 0 HD11 ILE A 29 0.099 -8.404 4.906 1.00 13.41 H new ATOM 0 HD12 ILE A 29 -0.295 -9.908 5.771 1.00 13.41 H new ATOM 0 HD13 ILE A 29 -1.600 -8.884 5.127 1.00 13.41 H new ATOM 409 N PRO A 30 -3.740 -6.103 8.152 1.00 2.32 N ATOM 410 CA PRO A 30 -4.145 -4.728 7.857 1.00 1.22 C ATOM 411 C PRO A 30 -2.937 -3.856 7.504 1.00 11.24 C ATOM 412 O PRO A 30 -1.807 -4.283 7.690 1.00 52.42 O ATOM 413 CB PRO A 30 -4.774 -4.235 9.163 1.00 51.00 C ATOM 414 CG PRO A 30 -3.973 -4.962 10.236 1.00 23.45 C ATOM 415 CD PRO A 30 -3.718 -6.320 9.589 1.00 2.45 C ATOM 0 HA PRO A 30 -4.823 -4.678 7.005 1.00 1.22 H new ATOM 0 HB2 PRO A 30 -4.693 -3.153 9.265 1.00 51.00 H new ATOM 0 HB3 PRO A 30 -5.834 -4.482 9.217 1.00 51.00 H new ATOM 0 HG2 PRO A 30 -3.044 -4.443 10.471 1.00 23.45 H new ATOM 0 HG3 PRO A 30 -4.531 -5.054 11.168 1.00 23.45 H new ATOM 0 HD2 PRO A 30 -2.757 -6.726 9.905 1.00 2.45 H new ATOM 0 HD3 PRO A 30 -4.481 -7.040 9.884 1.00 2.45 H new ATOM 420 N LEU A 31 -3.143 -2.596 7.111 1.00 53.02 N ATOM 421 CA LEU A 31 -2.111 -1.596 6.806 1.00 14.04 C ATOM 422 C LEU A 31 -0.931 -1.597 7.793 1.00 52.33 C ATOM 423 O LEU A 31 0.195 -1.788 7.329 1.00 2.44 O ATOM 424 CB LEU A 31 -2.772 -0.214 6.644 1.00 71.21 C ATOM 425 CG LEU A 31 -1.863 0.995 6.326 1.00 32.14 C ATOM 426 CD1 LEU A 31 -1.127 1.587 7.531 1.00 65.22 C ATOM 427 CD2 LEU A 31 -0.848 0.731 5.213 1.00 22.34 C ATOM 0 H LEU A 31 -4.085 -2.224 6.990 1.00 53.02 H new ATOM 0 HA LEU A 31 -1.647 -1.871 5.859 1.00 14.04 H new ATOM 0 HB2 LEU A 31 -3.515 -0.291 5.850 1.00 71.21 H new ATOM 0 HB3 LEU A 31 -3.312 0.008 7.565 1.00 71.21 H new ATOM 0 HG LEU A 31 -2.586 1.734 5.981 1.00 32.14 H new ATOM 0 HD11 LEU A 31 -0.516 2.429 7.206 1.00 65.22 H new ATOM 0 HD12 LEU A 31 -1.853 1.929 8.269 1.00 65.22 H new ATOM 0 HD13 LEU A 31 -0.487 0.825 7.977 1.00 65.22 H new ATOM 0 HD21 LEU A 31 -0.248 1.626 5.048 1.00 22.34 H new ATOM 0 HD22 LEU A 31 -0.197 -0.094 5.502 1.00 22.34 H new ATOM 0 HD23 LEU A 31 -1.375 0.473 4.294 1.00 22.34 H new ATOM 438 N PRO A 32 -1.105 -1.424 9.120 1.00 1.21 N ATOM 439 CA PRO A 32 0.015 -1.404 10.065 1.00 33.32 C ATOM 440 C PRO A 32 0.713 -2.764 10.243 1.00 50.44 C ATOM 441 O PRO A 32 1.637 -2.871 11.048 1.00 10.44 O ATOM 442 CB PRO A 32 -0.567 -0.876 11.376 1.00 25.22 C ATOM 443 CG PRO A 32 -2.030 -1.294 11.312 1.00 34.52 C ATOM 444 CD PRO A 32 -2.343 -1.128 9.828 1.00 42.32 C ATOM 0 HA PRO A 32 0.814 -0.767 9.686 1.00 33.32 H new ATOM 0 HB2 PRO A 32 -0.064 -1.308 12.241 1.00 25.22 H new ATOM 0 HB3 PRO A 32 -0.462 0.206 11.454 1.00 25.22 H new ATOM 0 HG2 PRO A 32 -2.176 -2.321 11.647 1.00 34.52 H new ATOM 0 HG3 PRO A 32 -2.662 -0.662 11.936 1.00 34.52 H new ATOM 0 HD2 PRO A 32 -3.140 -1.805 9.519 1.00 42.32 H new ATOM 0 HD3 PRO A 32 -2.683 -0.115 9.612 1.00 42.32 H new ATOM 449 N ALA A 33 0.308 -3.795 9.504 1.00 33.55 N ATOM 450 CA ALA A 33 1.051 -5.034 9.337 1.00 33.53 C ATOM 451 C ALA A 33 1.586 -5.162 7.912 1.00 30.25 C ATOM 452 O ALA A 33 2.752 -5.506 7.726 1.00 25.45 O ATOM 453 CB ALA A 33 0.110 -6.181 9.663 1.00 4.01 C ATOM 0 H ALA A 33 -0.574 -3.787 8.991 1.00 33.55 H new ATOM 0 HA ALA A 33 1.913 -5.048 10.004 1.00 33.53 H new ATOM 0 HB1 ALA A 33 0.637 -7.128 9.547 1.00 4.01 H new ATOM 0 HB2 ALA A 33 -0.240 -6.084 10.691 1.00 4.01 H new ATOM 0 HB3 ALA A 33 -0.743 -6.156 8.985 1.00 4.01 H new ATOM 459 N PHE A 34 0.741 -4.858 6.922 1.00 32.12 N ATOM 460 CA PHE A 34 0.890 -5.137 5.501 1.00 73.42 C ATOM 461 C PHE A 34 2.139 -4.512 4.886 1.00 2.25 C ATOM 462 O PHE A 34 2.574 -4.962 3.836 1.00 71.50 O ATOM 463 CB PHE A 34 -0.383 -4.731 4.733 1.00 65.53 C ATOM 464 CG PHE A 34 -0.311 -5.005 3.237 1.00 30.21 C ATOM 465 CD1 PHE A 34 -0.018 -6.302 2.769 1.00 25.51 C ATOM 466 CD2 PHE A 34 -0.438 -3.949 2.312 1.00 3.31 C ATOM 467 CE1 PHE A 34 0.206 -6.519 1.398 1.00 45.33 C ATOM 468 CE2 PHE A 34 -0.247 -4.176 0.940 1.00 52.44 C ATOM 469 CZ PHE A 34 0.092 -5.458 0.483 1.00 51.13 C ATOM 0 H PHE A 34 -0.134 -4.371 7.116 1.00 32.12 H new ATOM 0 HA PHE A 34 1.027 -6.214 5.408 1.00 73.42 H new ATOM 0 HB2 PHE A 34 -1.235 -5.268 5.151 1.00 65.53 H new ATOM 0 HB3 PHE A 34 -0.568 -3.668 4.890 1.00 65.53 H new ATOM 0 HD1 PHE A 34 0.034 -7.128 3.463 1.00 25.51 H new ATOM 0 HD2 PHE A 34 -0.684 -2.957 2.662 1.00 3.31 H new ATOM 0 HE1 PHE A 34 0.467 -7.506 1.046 1.00 45.33 H new ATOM 0 HE2 PHE A 34 -0.361 -3.364 0.237 1.00 52.44 H new ATOM 0 HZ PHE A 34 0.265 -5.630 -0.569 1.00 51.13 H new ATOM 478 N GLY A 35 2.756 -3.545 5.565 1.00 64.54 N ATOM 479 CA GLY A 35 4.074 -3.046 5.220 1.00 3.05 C ATOM 480 C GLY A 35 5.094 -3.440 6.274 1.00 73.53 C ATOM 481 O GLY A 35 6.114 -4.048 5.956 1.00 71.23 O ATOM 0 H GLY A 35 2.345 -3.086 6.378 1.00 64.54 H new ATOM 0 HA2 GLY A 35 4.375 -3.442 4.250 1.00 3.05 H new ATOM 0 HA3 GLY A 35 4.043 -1.961 5.125 1.00 3.05 H new ATOM 485 N GLN A 36 4.809 -3.101 7.533 1.00 42.30 N ATOM 486 CA GLN A 36 5.751 -3.166 8.650 1.00 14.34 C ATOM 487 C GLN A 36 6.397 -4.546 8.820 1.00 5.04 C ATOM 488 O GLN A 36 7.569 -4.616 9.185 1.00 31.33 O ATOM 489 CB GLN A 36 5.067 -2.726 9.961 1.00 33.53 C ATOM 490 CG GLN A 36 4.298 -1.403 9.808 1.00 14.34 C ATOM 491 CD GLN A 36 3.889 -0.724 11.114 1.00 4.23 C ATOM 492 OE1 GLN A 36 4.015 -1.255 12.219 1.00 71.20 O ATOM 493 NE2 GLN A 36 3.387 0.496 11.006 1.00 12.12 N ATOM 0 H GLN A 36 3.887 -2.763 7.811 1.00 42.30 H new ATOM 0 HA GLN A 36 6.559 -2.474 8.411 1.00 14.34 H new ATOM 0 HB2 GLN A 36 4.380 -3.506 10.288 1.00 33.53 H new ATOM 0 HB3 GLN A 36 5.820 -2.617 10.741 1.00 33.53 H new ATOM 0 HG2 GLN A 36 4.914 -0.709 9.236 1.00 14.34 H new ATOM 0 HG3 GLN A 36 3.400 -1.591 9.220 1.00 14.34 H new ATOM 0 HE21 GLN A 36 3.287 0.927 10.087 1.00 12.12 H new ATOM 0 HE22 GLN A 36 3.100 1.005 11.842 1.00 12.12 H new ATOM 500 N ARG A 37 5.669 -5.637 8.558 1.00 51.24 N ATOM 501 CA ARG A 37 6.163 -7.005 8.760 1.00 14.25 C ATOM 502 C ARG A 37 6.204 -7.790 7.450 1.00 42.34 C ATOM 503 O ARG A 37 6.204 -9.021 7.461 1.00 24.32 O ATOM 504 CB ARG A 37 5.340 -7.698 9.858 1.00 13.02 C ATOM 505 CG ARG A 37 5.455 -6.944 11.194 1.00 32.32 C ATOM 506 CD ARG A 37 4.961 -7.783 12.377 1.00 71.24 C ATOM 507 NE ARG A 37 6.006 -8.648 12.927 1.00 63.23 N ATOM 508 CZ ARG A 37 5.891 -9.403 14.021 1.00 64.41 C ATOM 509 NH1 ARG A 37 4.721 -9.530 14.641 1.00 34.32 N ATOM 510 NH2 ARG A 37 6.968 -10.023 14.484 1.00 33.12 N ATOM 0 H ARG A 37 4.716 -5.596 8.198 1.00 51.24 H new ATOM 0 HA ARG A 37 7.197 -6.965 9.103 1.00 14.25 H new ATOM 0 HB2 ARG A 37 4.294 -7.750 9.555 1.00 13.02 H new ATOM 0 HB3 ARG A 37 5.687 -8.724 9.984 1.00 13.02 H new ATOM 0 HG2 ARG A 37 6.494 -6.660 11.361 1.00 32.32 H new ATOM 0 HG3 ARG A 37 4.878 -6.021 11.139 1.00 32.32 H new ATOM 0 HD2 ARG A 37 4.594 -7.120 13.160 1.00 71.24 H new ATOM 0 HD3 ARG A 37 4.118 -8.396 12.057 1.00 71.24 H new ATOM 0 HE ARG A 37 6.897 -8.676 12.432 1.00 63.23 H new ATOM 0 HH11 ARG A 37 3.898 -9.047 14.281 1.00 34.32 H new ATOM 0 HH12 ARG A 37 4.647 -10.110 15.477 1.00 34.32 H new ATOM 0 HH21 ARG A 37 7.862 -9.918 14.005 1.00 33.12 H new ATOM 0 HH22 ARG A 37 6.902 -10.605 15.319 1.00 33.12 H new ATOM 521 N ILE A 38 6.151 -7.098 6.312 1.00 13.13 N ATOM 522 CA ILE A 38 5.924 -7.685 5.000 1.00 42.22 C ATOM 523 C ILE A 38 6.920 -7.022 4.047 1.00 4.35 C ATOM 524 O ILE A 38 7.942 -7.620 3.728 1.00 70.20 O ATOM 525 CB ILE A 38 4.443 -7.477 4.603 1.00 24.15 C ATOM 526 CG1 ILE A 38 3.407 -8.017 5.613 1.00 70.52 C ATOM 527 CG2 ILE A 38 4.127 -7.996 3.191 1.00 33.31 C ATOM 528 CD1 ILE A 38 3.271 -9.530 5.696 1.00 54.43 C ATOM 0 H ILE A 38 6.269 -6.085 6.281 1.00 13.13 H new ATOM 0 HA ILE A 38 6.090 -8.762 4.976 1.00 42.22 H new ATOM 0 HB ILE A 38 4.336 -6.392 4.614 1.00 24.15 H new ATOM 0 HG12 ILE A 38 3.667 -7.642 6.603 1.00 70.52 H new ATOM 0 HG13 ILE A 38 2.433 -7.599 5.360 1.00 70.52 H new ATOM 0 HG21 ILE A 38 3.074 -7.823 2.967 1.00 33.31 H new ATOM 0 HG22 ILE A 38 4.744 -7.469 2.463 1.00 33.31 H new ATOM 0 HG23 ILE A 38 4.338 -9.064 3.140 1.00 33.31 H new ATOM 0 HD11 ILE A 38 2.515 -9.787 6.438 1.00 54.43 H new ATOM 0 HD12 ILE A 38 2.974 -9.922 4.724 1.00 54.43 H new ATOM 0 HD13 ILE A 38 4.227 -9.966 5.986 1.00 54.43 H new ATOM 539 N ILE A 39 6.634 -5.777 3.655 1.00 42.02 N ATOM 540 CA ILE A 39 7.391 -4.928 2.738 1.00 32.25 C ATOM 541 C ILE A 39 8.723 -4.479 3.379 1.00 52.41 C ATOM 542 O ILE A 39 9.546 -3.857 2.710 1.00 33.25 O ATOM 543 CB ILE A 39 6.484 -3.721 2.340 1.00 24.31 C ATOM 544 CG1 ILE A 39 5.078 -4.110 1.820 1.00 23.23 C ATOM 545 CG2 ILE A 39 7.112 -2.779 1.307 1.00 11.34 C ATOM 546 CD1 ILE A 39 5.019 -4.827 0.478 1.00 42.04 C ATOM 0 H ILE A 39 5.800 -5.301 4.000 1.00 42.02 H new ATOM 0 HA ILE A 39 7.662 -5.480 1.838 1.00 32.25 H new ATOM 0 HB ILE A 39 6.379 -3.204 3.294 1.00 24.31 H new ATOM 0 HG12 ILE A 39 4.603 -4.746 2.567 1.00 23.23 H new ATOM 0 HG13 ILE A 39 4.479 -3.202 1.747 1.00 23.23 H new ATOM 0 HG21 ILE A 39 6.418 -1.968 1.085 1.00 11.34 H new ATOM 0 HG22 ILE A 39 8.038 -2.365 1.707 1.00 11.34 H new ATOM 0 HG23 ILE A 39 7.327 -3.333 0.393 1.00 11.34 H new ATOM 0 HD11 ILE A 39 3.981 -5.044 0.227 1.00 42.04 H new ATOM 0 HD12 ILE A 39 5.454 -4.192 -0.293 1.00 42.04 H new ATOM 0 HD13 ILE A 39 5.580 -5.760 0.539 1.00 42.04 H new ATOM 557 N GLY A 40 8.961 -4.740 4.670 1.00 5.42 N ATOM 558 CA GLY A 40 10.215 -4.390 5.332 1.00 71.13 C ATOM 559 C GLY A 40 10.401 -2.885 5.525 1.00 22.13 C ATOM 560 O GLY A 40 11.474 -2.447 5.929 1.00 65.40 O ATOM 0 H GLY A 40 8.287 -5.200 5.282 1.00 5.42 H new ATOM 0 HA2 GLY A 40 10.253 -4.881 6.305 1.00 71.13 H new ATOM 0 HA3 GLY A 40 11.048 -4.779 4.746 1.00 71.13 H new ATOM 564 N TRP A 41 9.386 -2.060 5.259 1.00 10.35 N ATOM 565 CA TRP A 41 9.529 -0.606 5.211 1.00 73.13 C ATOM 566 C TRP A 41 9.500 0.077 6.581 1.00 70.34 C ATOM 567 O TRP A 41 9.264 1.291 6.639 1.00 5.21 O ATOM 568 CB TRP A 41 8.481 -0.041 4.245 1.00 70.41 C ATOM 569 CG TRP A 41 7.052 0.065 4.694 1.00 73.42 C ATOM 570 CD1 TRP A 41 6.537 -0.318 5.885 1.00 52.22 C ATOM 571 CD2 TRP A 41 5.924 0.602 3.944 1.00 43.20 C ATOM 572 NE1 TRP A 41 5.222 0.077 5.976 1.00 64.23 N ATOM 573 CE2 TRP A 41 4.783 0.628 4.797 1.00 70.43 C ATOM 574 CE3 TRP A 41 5.745 1.061 2.623 1.00 34.54 C ATOM 575 CZ2 TRP A 41 3.537 1.104 4.371 1.00 32.44 C ATOM 576 CZ3 TRP A 41 4.489 1.496 2.170 1.00 25.51 C ATOM 577 CH2 TRP A 41 3.391 1.530 3.044 1.00 4.22 C ATOM 0 H TRP A 41 8.438 -2.385 5.070 1.00 10.35 H new ATOM 0 HA TRP A 41 10.529 -0.381 4.839 1.00 73.13 H new ATOM 0 HB2 TRP A 41 8.808 0.957 3.953 1.00 70.41 H new ATOM 0 HB3 TRP A 41 8.498 -0.657 3.346 1.00 70.41 H new ATOM 0 HD1 TRP A 41 7.078 -0.854 6.651 1.00 52.22 H new ATOM 0 HE1 TRP A 41 4.647 -0.026 6.812 1.00 64.23 H new ATOM 0 HE3 TRP A 41 6.588 1.078 1.948 1.00 34.54 H new ATOM 0 HZ2 TRP A 41 2.702 1.142 5.054 1.00 32.44 H new ATOM 0 HZ3 TRP A 41 4.367 1.806 1.143 1.00 25.51 H new ATOM 0 HH2 TRP A 41 2.433 1.885 2.693 1.00 4.22 H new ATOM 587 N GLY A 42 9.670 -0.688 7.666 1.00 3.31 N ATOM 588 CA GLY A 42 9.523 -0.260 9.047 1.00 50.42 C ATOM 589 C GLY A 42 8.263 0.574 9.184 1.00 54.12 C ATOM 590 O GLY A 42 7.170 0.106 8.873 1.00 42.44 O ATOM 0 H GLY A 42 9.927 -1.672 7.592 1.00 3.31 H new ATOM 0 HA2 GLY A 42 9.471 -1.128 9.705 1.00 50.42 H new ATOM 0 HA3 GLY A 42 10.392 0.321 9.354 1.00 50.42 H new ATOM 594 N THR A 43 8.438 1.846 9.527 1.00 72.53 N ATOM 595 CA THR A 43 7.416 2.886 9.446 1.00 65.23 C ATOM 596 C THR A 43 8.108 4.205 9.814 1.00 73.24 C ATOM 597 O THR A 43 8.739 4.286 10.868 1.00 4.33 O ATOM 598 CB THR A 43 6.174 2.556 10.319 1.00 22.51 C ATOM 599 OG1 THR A 43 5.118 3.443 10.011 1.00 33.25 O ATOM 600 CG2 THR A 43 6.409 2.587 11.826 1.00 52.12 C ATOM 0 H THR A 43 9.328 2.195 9.882 1.00 72.53 H new ATOM 0 HA THR A 43 7.004 2.962 8.440 1.00 65.23 H new ATOM 0 HB THR A 43 5.927 1.524 10.070 1.00 22.51 H new ATOM 0 HG1 THR A 43 4.338 3.228 10.564 1.00 33.25 H new ATOM 0 HG21 THR A 43 5.481 2.343 12.344 1.00 52.12 H new ATOM 0 HG22 THR A 43 7.175 1.857 12.090 1.00 52.12 H new ATOM 0 HG23 THR A 43 6.739 3.583 12.122 1.00 52.12 H new ATOM 608 N GLY A 44 8.034 5.234 8.961 1.00 24.55 N ATOM 609 CA GLY A 44 8.558 6.562 9.290 1.00 30.22 C ATOM 610 C GLY A 44 9.443 7.186 8.222 1.00 41.14 C ATOM 611 O GLY A 44 10.321 7.973 8.567 1.00 71.13 O ATOM 0 H GLY A 44 7.614 5.170 8.034 1.00 24.55 H new ATOM 0 HA2 GLY A 44 7.718 7.230 9.481 1.00 30.22 H new ATOM 0 HA3 GLY A 44 9.127 6.492 10.217 1.00 30.22 H new ATOM 615 N ALA A 45 9.235 6.837 6.945 1.00 25.22 N ATOM 616 CA ALA A 45 10.004 7.293 5.777 1.00 21.22 C ATOM 617 C ALA A 45 11.353 6.604 5.709 1.00 25.52 C ATOM 618 O ALA A 45 11.642 5.965 4.705 1.00 22.15 O ATOM 619 CB ALA A 45 10.191 8.823 5.742 1.00 35.35 C ATOM 0 H ALA A 45 8.486 6.195 6.684 1.00 25.22 H new ATOM 0 HA ALA A 45 9.416 7.018 4.901 1.00 21.22 H new ATOM 0 HB1 ALA A 45 10.766 9.099 4.858 1.00 35.35 H new ATOM 0 HB2 ALA A 45 9.216 9.308 5.707 1.00 35.35 H new ATOM 0 HB3 ALA A 45 10.724 9.145 6.636 1.00 35.35 H new ATOM 625 N GLU A 46 12.136 6.677 6.779 1.00 23.42 N ATOM 626 CA GLU A 46 13.441 6.060 6.902 1.00 32.22 C ATOM 627 C GLU A 46 13.344 4.573 6.587 1.00 42.02 C ATOM 628 O GLU A 46 14.103 4.055 5.773 1.00 5.32 O ATOM 629 CB GLU A 46 13.943 6.254 8.334 1.00 73.33 C ATOM 630 CG GLU A 46 15.059 7.299 8.436 1.00 72.42 C ATOM 631 CD GLU A 46 15.984 7.045 9.630 1.00 12.14 C ATOM 632 OE1 GLU A 46 16.005 5.914 10.172 1.00 30.53 O ATOM 633 OE2 GLU A 46 16.765 7.953 9.976 1.00 5.33 O ATOM 0 H GLU A 46 11.863 7.190 7.617 1.00 23.42 H new ATOM 0 HA GLU A 46 14.135 6.522 6.199 1.00 32.22 H new ATOM 0 HB2 GLU A 46 13.110 6.556 8.968 1.00 73.33 H new ATOM 0 HB3 GLU A 46 14.307 5.301 8.719 1.00 73.33 H new ATOM 0 HG2 GLU A 46 15.645 7.293 7.517 1.00 72.42 H new ATOM 0 HG3 GLU A 46 14.618 8.292 8.526 1.00 72.42 H new ATOM 638 N GLY A 47 12.364 3.901 7.194 1.00 62.11 N ATOM 639 CA GLY A 47 12.115 2.490 6.973 1.00 5.34 C ATOM 640 C GLY A 47 11.973 2.166 5.479 1.00 70.14 C ATOM 641 O GLY A 47 12.546 1.196 4.995 1.00 44.41 O ATOM 0 H GLY A 47 11.720 4.332 7.857 1.00 62.11 H new ATOM 0 HA2 GLY A 47 12.932 1.906 7.396 1.00 5.34 H new ATOM 0 HA3 GLY A 47 11.206 2.194 7.498 1.00 5.34 H new ATOM 645 N ALA A 48 11.229 3.001 4.742 1.00 4.24 N ATOM 646 CA ALA A 48 10.998 2.879 3.306 1.00 22.55 C ATOM 647 C ALA A 48 12.145 3.449 2.457 1.00 23.55 C ATOM 648 O ALA A 48 12.096 3.310 1.243 1.00 70.11 O ATOM 649 CB ALA A 48 9.679 3.588 2.940 1.00 25.55 C ATOM 0 H ALA A 48 10.756 3.808 5.149 1.00 4.24 H new ATOM 0 HA ALA A 48 10.941 1.814 3.080 1.00 22.55 H new ATOM 0 HB1 ALA A 48 9.503 3.499 1.868 1.00 25.55 H new ATOM 0 HB2 ALA A 48 8.855 3.125 3.483 1.00 25.55 H new ATOM 0 HB3 ALA A 48 9.745 4.642 3.210 1.00 25.55 H new ATOM 655 N ARG A 49 13.145 4.127 3.028 1.00 45.44 N ATOM 656 CA ARG A 49 14.353 4.538 2.300 1.00 61.43 C ATOM 657 C ARG A 49 15.355 3.401 2.388 1.00 64.34 C ATOM 658 O ARG A 49 15.859 2.933 1.369 1.00 52.32 O ATOM 659 CB ARG A 49 14.880 5.834 2.950 1.00 3.31 C ATOM 660 CG ARG A 49 16.191 6.424 2.392 1.00 5.04 C ATOM 661 CD ARG A 49 16.675 7.508 3.374 1.00 31.54 C ATOM 662 NE ARG A 49 17.810 8.303 2.875 1.00 55.21 N ATOM 663 CZ ARG A 49 18.682 9.001 3.617 1.00 3.14 C ATOM 664 NH1 ARG A 49 18.744 8.856 4.939 1.00 2.03 N ATOM 665 NH2 ARG A 49 19.487 9.880 3.030 1.00 55.12 N ATOM 0 H ARG A 49 13.141 4.407 4.009 1.00 45.44 H new ATOM 0 HA ARG A 49 14.159 4.742 1.247 1.00 61.43 H new ATOM 0 HB2 ARG A 49 14.104 6.595 2.863 1.00 3.31 H new ATOM 0 HB3 ARG A 49 15.022 5.644 4.014 1.00 3.31 H new ATOM 0 HG2 ARG A 49 16.945 5.644 2.282 1.00 5.04 H new ATOM 0 HG3 ARG A 49 16.027 6.851 1.402 1.00 5.04 H new ATOM 0 HD2 ARG A 49 15.845 8.178 3.597 1.00 31.54 H new ATOM 0 HD3 ARG A 49 16.962 7.032 4.312 1.00 31.54 H new ATOM 0 HE ARG A 49 17.946 8.325 1.864 1.00 55.21 H new ATOM 0 HH11 ARG A 49 18.119 8.202 5.410 1.00 2.03 H new ATOM 0 HH12 ARG A 49 19.416 9.399 5.481 1.00 2.03 H new ATOM 0 HH21 ARG A 49 19.439 10.021 2.021 1.00 55.12 H new ATOM 0 HH22 ARG A 49 20.153 10.414 3.589 1.00 55.12 H new ATOM 676 N GLN A 50 15.614 2.936 3.609 1.00 21.12 N ATOM 677 CA GLN A 50 16.575 1.886 3.872 1.00 44.42 C ATOM 678 C GLN A 50 16.112 0.562 3.272 1.00 50.01 C ATOM 679 O GLN A 50 16.962 -0.278 2.975 1.00 11.11 O ATOM 680 CB GLN A 50 16.768 1.728 5.390 1.00 62.21 C ATOM 681 CG GLN A 50 17.474 2.921 6.059 1.00 33.21 C ATOM 682 CD GLN A 50 16.809 3.355 7.368 1.00 14.33 C ATOM 683 OE1 GLN A 50 16.311 2.554 8.164 1.00 30.43 O ATOM 684 NE2 GLN A 50 16.750 4.647 7.616 1.00 44.14 N ATOM 0 H GLN A 50 15.153 3.287 4.448 1.00 21.12 H new ATOM 0 HA GLN A 50 17.522 2.162 3.409 1.00 44.42 H new ATOM 0 HB2 GLN A 50 15.793 1.587 5.857 1.00 62.21 H new ATOM 0 HB3 GLN A 50 17.346 0.824 5.580 1.00 62.21 H new ATOM 0 HG2 GLN A 50 18.513 2.657 6.256 1.00 33.21 H new ATOM 0 HG3 GLN A 50 17.485 3.763 5.367 1.00 33.21 H new ATOM 0 HE21 GLN A 50 17.161 5.311 6.960 1.00 44.14 H new ATOM 0 HE22 GLN A 50 16.294 4.983 8.464 1.00 44.14 H new ATOM 691 N ARG A 51 14.808 0.360 3.048 1.00 33.21 N ATOM 692 CA ARG A 51 14.306 -0.680 2.158 1.00 2.43 C ATOM 693 C ARG A 51 13.647 -0.008 0.951 1.00 63.44 C ATOM 694 O ARG A 51 12.427 0.094 0.899 1.00 30.55 O ATOM 695 CB ARG A 51 13.377 -1.681 2.880 1.00 72.34 C ATOM 696 CG ARG A 51 14.127 -2.911 3.421 1.00 44.33 C ATOM 697 CD ARG A 51 15.027 -2.629 4.625 1.00 24.35 C ATOM 698 NE ARG A 51 14.214 -2.300 5.801 1.00 64.31 N ATOM 699 CZ ARG A 51 14.524 -1.521 6.837 1.00 50.24 C ATOM 700 NH1 ARG A 51 15.762 -1.074 7.002 1.00 22.54 N ATOM 701 NH2 ARG A 51 13.567 -1.190 7.701 1.00 71.20 N ATOM 0 H ARG A 51 14.073 0.918 3.483 1.00 33.21 H new ATOM 0 HA ARG A 51 15.138 -1.291 1.808 1.00 2.43 H new ATOM 0 HB2 ARG A 51 12.877 -1.174 3.706 1.00 72.34 H new ATOM 0 HB3 ARG A 51 12.600 -2.010 2.190 1.00 72.34 H new ATOM 0 HG2 ARG A 51 13.398 -3.672 3.699 1.00 44.33 H new ATOM 0 HG3 ARG A 51 14.735 -3.331 2.620 1.00 44.33 H new ATOM 0 HD2 ARG A 51 15.648 -3.500 4.836 1.00 24.35 H new ATOM 0 HD3 ARG A 51 15.702 -1.804 4.398 1.00 24.35 H new ATOM 0 HE ARG A 51 13.287 -2.724 5.830 1.00 64.31 H new ATOM 0 HH11 ARG A 51 16.489 -1.326 6.332 1.00 22.54 H new ATOM 0 HH12 ARG A 51 15.987 -0.478 7.799 1.00 22.54 H new ATOM 0 HH21 ARG A 51 12.616 -1.532 7.564 1.00 71.20 H new ATOM 0 HH22 ARG A 51 13.785 -0.595 8.500 1.00 71.20 H new ATOM 712 N LEU A 52 14.435 0.517 0.006 1.00 22.42 N ATOM 713 CA LEU A 52 13.993 0.895 -1.335 1.00 63.32 C ATOM 714 C LEU A 52 15.148 0.775 -2.314 1.00 44.30 C ATOM 715 O LEU A 52 15.083 0.017 -3.277 1.00 44.20 O ATOM 716 CB LEU A 52 13.431 2.326 -1.321 1.00 65.42 C ATOM 717 CG LEU A 52 13.363 3.061 -2.676 1.00 31.24 C ATOM 718 CD1 LEU A 52 12.443 2.371 -3.675 1.00 21.12 C ATOM 719 CD2 LEU A 52 12.905 4.506 -2.468 1.00 62.14 C ATOM 0 H LEU A 52 15.427 0.695 0.161 1.00 22.42 H new ATOM 0 HA LEU A 52 13.200 0.220 -1.656 1.00 63.32 H new ATOM 0 HB2 LEU A 52 12.425 2.292 -0.903 1.00 65.42 H new ATOM 0 HB3 LEU A 52 14.039 2.923 -0.641 1.00 65.42 H new ATOM 0 HG LEU A 52 14.369 3.043 -3.095 1.00 31.24 H new ATOM 0 HD11 LEU A 52 12.434 2.932 -4.609 1.00 21.12 H new ATOM 0 HD12 LEU A 52 12.803 1.359 -3.863 1.00 21.12 H new ATOM 0 HD13 LEU A 52 11.432 2.327 -3.269 1.00 21.12 H new ATOM 0 HD21 LEU A 52 12.860 5.016 -3.430 1.00 62.14 H new ATOM 0 HD22 LEU A 52 11.917 4.512 -2.008 1.00 62.14 H new ATOM 0 HD23 LEU A 52 13.611 5.021 -1.817 1.00 62.14 H new ATOM 730 N GLU A 53 16.199 1.568 -2.112 1.00 41.43 N ATOM 731 CA GLU A 53 17.195 1.797 -3.165 1.00 11.01 C ATOM 732 C GLU A 53 18.091 0.578 -3.387 1.00 30.12 C ATOM 733 O GLU A 53 18.832 0.507 -4.370 1.00 73.10 O ATOM 734 CB GLU A 53 18.006 3.073 -2.866 1.00 41.14 C ATOM 735 CG GLU A 53 17.138 4.209 -2.274 1.00 52.30 C ATOM 736 CD GLU A 53 17.642 5.629 -2.543 1.00 50.44 C ATOM 737 OE1 GLU A 53 18.116 5.922 -3.666 1.00 40.21 O ATOM 738 OE2 GLU A 53 17.493 6.493 -1.649 1.00 55.32 O ATOM 0 H GLU A 53 16.385 2.060 -1.238 1.00 41.43 H new ATOM 0 HA GLU A 53 16.664 1.951 -4.104 1.00 11.01 H new ATOM 0 HB2 GLU A 53 18.808 2.833 -2.168 1.00 41.14 H new ATOM 0 HB3 GLU A 53 18.477 3.423 -3.785 1.00 41.14 H new ATOM 0 HG2 GLU A 53 16.128 4.118 -2.675 1.00 52.30 H new ATOM 0 HG3 GLU A 53 17.067 4.065 -1.196 1.00 52.30 H new ATOM 743 N ASN A 54 17.969 -0.399 -2.496 1.00 3.45 N ATOM 744 CA ASN A 54 18.823 -1.548 -2.291 1.00 73.40 C ATOM 745 C ASN A 54 17.978 -2.816 -2.146 1.00 13.13 C ATOM 746 O ASN A 54 18.289 -3.692 -1.339 1.00 13.11 O ATOM 747 CB ASN A 54 19.742 -1.285 -1.083 1.00 51.01 C ATOM 748 CG ASN A 54 19.065 -0.742 0.174 1.00 30.13 C ATOM 749 OD1 ASN A 54 19.702 -0.037 0.954 1.00 61.50 O ATOM 750 ND2 ASN A 54 17.791 -0.992 0.427 1.00 44.33 N ATOM 0 H ASN A 54 17.190 -0.400 -1.837 1.00 3.45 H new ATOM 0 HA ASN A 54 19.465 -1.709 -3.157 1.00 73.40 H new ATOM 0 HB2 ASN A 54 20.245 -2.217 -0.826 1.00 51.01 H new ATOM 0 HB3 ASN A 54 20.515 -0.579 -1.388 1.00 51.01 H new ATOM 0 HD21 ASN A 54 17.350 -0.602 1.260 1.00 44.33 H new ATOM 0 HD22 ASN A 54 17.249 -1.575 -0.211 1.00 44.33 H new ATOM 756 N ILE A 55 16.869 -2.858 -2.883 1.00 32.55 N ATOM 757 CA ILE A 55 15.946 -3.979 -2.966 1.00 64.13 C ATOM 758 C ILE A 55 16.574 -5.144 -3.736 1.00 41.44 C ATOM 759 O ILE A 55 17.601 -4.979 -4.398 1.00 61.43 O ATOM 760 CB ILE A 55 14.630 -3.470 -3.583 1.00 53.31 C ATOM 761 CG1 ILE A 55 13.423 -4.344 -3.186 1.00 52.22 C ATOM 762 CG2 ILE A 55 14.743 -3.319 -5.109 1.00 21.21 C ATOM 763 CD1 ILE A 55 12.205 -3.471 -2.871 1.00 23.13 C ATOM 0 H ILE A 55 16.580 -2.072 -3.465 1.00 32.55 H new ATOM 0 HA ILE A 55 15.724 -4.377 -1.976 1.00 64.13 H new ATOM 0 HB ILE A 55 14.450 -2.478 -3.168 1.00 53.31 H new ATOM 0 HG12 ILE A 55 13.184 -5.033 -3.996 1.00 52.22 H new ATOM 0 HG13 ILE A 55 13.677 -4.951 -2.317 1.00 52.22 H new ATOM 0 HG21 ILE A 55 13.796 -2.958 -5.510 1.00 21.21 H new ATOM 0 HG22 ILE A 55 15.533 -2.606 -5.347 1.00 21.21 H new ATOM 0 HG23 ILE A 55 14.980 -4.285 -5.554 1.00 21.21 H new ATOM 0 HD11 ILE A 55 11.364 -4.106 -2.593 1.00 23.13 H new ATOM 0 HD12 ILE A 55 12.442 -2.801 -2.045 1.00 23.13 H new ATOM 0 HD13 ILE A 55 11.941 -2.884 -3.751 1.00 23.13 H new ATOM 774 N GLN A 56 15.949 -6.315 -3.633 1.00 21.30 N ATOM 775 CA GLN A 56 16.352 -7.556 -4.256 1.00 64.21 C ATOM 776 C GLN A 56 15.096 -8.227 -4.844 1.00 33.32 C ATOM 777 O GLN A 56 13.980 -7.923 -4.414 1.00 72.54 O ATOM 778 CB GLN A 56 16.979 -8.475 -3.201 1.00 34.44 C ATOM 779 CG GLN A 56 17.834 -7.796 -2.136 1.00 72.53 C ATOM 780 CD GLN A 56 19.114 -7.122 -2.638 1.00 13.04 C ATOM 781 OE1 GLN A 56 19.707 -7.507 -3.641 1.00 10.43 O ATOM 782 NE2 GLN A 56 19.610 -6.121 -1.933 1.00 71.15 N ATOM 0 H GLN A 56 15.099 -6.420 -3.078 1.00 21.30 H new ATOM 0 HA GLN A 56 17.083 -7.368 -5.043 1.00 64.21 H new ATOM 0 HB2 GLN A 56 16.177 -9.019 -2.701 1.00 34.44 H new ATOM 0 HB3 GLN A 56 17.594 -9.214 -3.714 1.00 34.44 H new ATOM 0 HG2 GLN A 56 17.225 -7.046 -1.632 1.00 72.53 H new ATOM 0 HG3 GLN A 56 18.107 -8.540 -1.388 1.00 72.53 H new ATOM 0 HE21 GLN A 56 19.123 -5.795 -1.098 1.00 71.15 H new ATOM 0 HE22 GLN A 56 20.480 -5.674 -2.224 1.00 71.15 H new ATOM 789 N PRO A 57 15.241 -9.226 -5.722 1.00 4.21 N ATOM 790 CA PRO A 57 14.131 -9.996 -6.267 1.00 23.23 C ATOM 791 C PRO A 57 13.407 -10.825 -5.198 1.00 45.03 C ATOM 792 O PRO A 57 12.193 -11.007 -5.291 1.00 54.25 O ATOM 793 CB PRO A 57 14.756 -10.874 -7.357 1.00 10.12 C ATOM 794 CG PRO A 57 16.230 -10.978 -6.963 1.00 5.02 C ATOM 795 CD PRO A 57 16.501 -9.633 -6.295 1.00 70.54 C ATOM 0 HA PRO A 57 13.354 -9.345 -6.668 1.00 23.23 H new ATOM 0 HB2 PRO A 57 14.285 -11.856 -7.395 1.00 10.12 H new ATOM 0 HB3 PRO A 57 14.639 -10.426 -8.344 1.00 10.12 H new ATOM 0 HG2 PRO A 57 16.408 -11.810 -6.282 1.00 5.02 H new ATOM 0 HG3 PRO A 57 16.870 -11.134 -7.831 1.00 5.02 H new ATOM 0 HD2 PRO A 57 17.270 -9.724 -5.528 1.00 70.54 H new ATOM 0 HD3 PRO A 57 16.858 -8.900 -7.019 1.00 70.54 H new ATOM 800 N ALA A 58 14.113 -11.335 -4.181 1.00 32.23 N ATOM 801 CA ALA A 58 13.464 -12.063 -3.094 1.00 74.42 C ATOM 802 C ALA A 58 12.709 -11.127 -2.151 1.00 73.55 C ATOM 803 O ALA A 58 11.757 -11.573 -1.517 1.00 74.13 O ATOM 804 CB ALA A 58 14.487 -12.863 -2.295 1.00 63.54 C ATOM 0 H ALA A 58 15.126 -11.256 -4.092 1.00 32.23 H new ATOM 0 HA ALA A 58 12.745 -12.742 -3.553 1.00 74.42 H new ATOM 0 HB1 ALA A 58 13.983 -13.398 -1.490 1.00 63.54 H new ATOM 0 HB2 ALA A 58 14.982 -13.578 -2.951 1.00 63.54 H new ATOM 0 HB3 ALA A 58 15.228 -12.185 -1.871 1.00 63.54 H new ATOM 810 N ASP A 59 13.096 -9.849 -2.066 1.00 52.41 N ATOM 811 CA ASP A 59 12.378 -8.878 -1.239 1.00 71.54 C ATOM 812 C ASP A 59 11.002 -8.640 -1.848 1.00 31.31 C ATOM 813 O ASP A 59 10.042 -8.418 -1.115 1.00 25.53 O ATOM 814 CB ASP A 59 13.121 -7.527 -1.147 1.00 34.13 C ATOM 815 CG ASP A 59 14.192 -7.469 -0.063 1.00 32.40 C ATOM 816 OD1 ASP A 59 15.012 -8.405 0.021 1.00 33.11 O ATOM 817 OD2 ASP A 59 14.163 -6.510 0.749 1.00 70.35 O ATOM 0 H ASP A 59 13.902 -9.465 -2.560 1.00 52.41 H new ATOM 0 HA ASP A 59 12.302 -9.287 -0.232 1.00 71.54 H new ATOM 0 HB2 ASP A 59 13.585 -7.315 -2.110 1.00 34.13 H new ATOM 0 HB3 ASP A 59 12.392 -6.737 -0.963 1.00 34.13 H new ATOM 821 N VAL A 60 10.887 -8.720 -3.177 1.00 5.43 N ATOM 822 CA VAL A 60 9.610 -8.714 -3.863 1.00 70.23 C ATOM 823 C VAL A 60 8.937 -10.051 -3.583 1.00 64.54 C ATOM 824 O VAL A 60 7.903 -10.088 -2.918 1.00 51.33 O ATOM 825 CB VAL A 60 9.808 -8.369 -5.354 1.00 73.44 C ATOM 826 CG1 VAL A 60 8.513 -8.418 -6.183 1.00 32.32 C ATOM 827 CG2 VAL A 60 10.392 -6.952 -5.398 1.00 12.12 C ATOM 0 H VAL A 60 11.689 -8.791 -3.804 1.00 5.43 H new ATOM 0 HA VAL A 60 8.940 -7.936 -3.498 1.00 70.23 H new ATOM 0 HB VAL A 60 10.466 -9.116 -5.799 1.00 73.44 H new ATOM 0 HG11 VAL A 60 8.735 -8.164 -7.219 1.00 32.32 H new ATOM 0 HG12 VAL A 60 8.090 -9.422 -6.138 1.00 32.32 H new ATOM 0 HG13 VAL A 60 7.796 -7.703 -5.780 1.00 32.32 H new ATOM 0 HG21 VAL A 60 10.553 -6.657 -6.435 1.00 12.12 H new ATOM 0 HG22 VAL A 60 9.697 -6.257 -4.926 1.00 12.12 H new ATOM 0 HG23 VAL A 60 11.342 -6.933 -4.864 1.00 12.12 H new ATOM 837 N SER A 61 9.507 -11.157 -4.051 1.00 10.23 N ATOM 838 CA SER A 61 8.865 -12.465 -4.067 1.00 74.14 C ATOM 839 C SER A 61 8.862 -13.194 -2.711 1.00 42.03 C ATOM 840 O SER A 61 8.769 -14.423 -2.673 1.00 42.31 O ATOM 841 CB SER A 61 9.498 -13.267 -5.200 1.00 72.12 C ATOM 842 OG SER A 61 9.156 -12.605 -6.409 1.00 50.15 O ATOM 0 H SER A 61 10.450 -11.168 -4.439 1.00 10.23 H new ATOM 0 HA SER A 61 7.799 -12.338 -4.253 1.00 74.14 H new ATOM 0 HB2 SER A 61 10.580 -13.319 -5.080 1.00 72.12 H new ATOM 0 HB3 SER A 61 9.128 -14.292 -5.202 1.00 72.12 H new ATOM 0 HG SER A 61 9.546 -13.088 -7.168 1.00 50.15 H new ATOM 847 N MET A 62 8.814 -12.455 -1.605 1.00 10.32 N ATOM 848 CA MET A 62 8.352 -12.887 -0.298 1.00 50.11 C ATOM 849 C MET A 62 6.918 -12.394 -0.065 1.00 51.01 C ATOM 850 O MET A 62 6.151 -13.043 0.630 1.00 10.43 O ATOM 851 CB MET A 62 9.327 -12.393 0.779 1.00 54.14 C ATOM 852 CG MET A 62 9.259 -10.890 1.059 1.00 65.55 C ATOM 853 SD MET A 62 10.533 -10.294 2.194 1.00 63.23 S ATOM 854 CE MET A 62 10.095 -11.269 3.647 1.00 33.23 C ATOM 0 H MET A 62 9.116 -11.481 -1.603 1.00 10.32 H new ATOM 0 HA MET A 62 8.330 -13.975 -0.244 1.00 50.11 H new ATOM 0 HB2 MET A 62 9.127 -12.931 1.706 1.00 54.14 H new ATOM 0 HB3 MET A 62 10.343 -12.647 0.475 1.00 54.14 H new ATOM 0 HG2 MET A 62 9.347 -10.351 0.116 1.00 65.55 H new ATOM 0 HG3 MET A 62 8.279 -10.652 1.472 1.00 65.55 H new ATOM 0 HE1 MET A 62 10.576 -10.845 4.528 1.00 33.23 H new ATOM 0 HE2 MET A 62 9.013 -11.255 3.782 1.00 33.23 H new ATOM 0 HE3 MET A 62 10.431 -12.297 3.510 1.00 33.23 H new ATOM 862 N ILE A 63 6.518 -11.252 -0.628 1.00 72.51 N ATOM 863 CA ILE A 63 5.284 -10.560 -0.271 1.00 44.14 C ATOM 864 C ILE A 63 4.071 -11.310 -0.838 1.00 72.43 C ATOM 865 O ILE A 63 3.021 -11.341 -0.187 1.00 45.45 O ATOM 866 CB ILE A 63 5.376 -9.093 -0.759 1.00 32.51 C ATOM 867 CG1 ILE A 63 6.552 -8.312 -0.126 1.00 22.53 C ATOM 868 CG2 ILE A 63 4.056 -8.325 -0.580 1.00 1.05 C ATOM 869 CD1 ILE A 63 7.063 -7.208 -1.063 1.00 52.03 C ATOM 0 H ILE A 63 7.052 -10.777 -1.355 1.00 72.51 H new ATOM 0 HA ILE A 63 5.150 -10.542 0.811 1.00 44.14 H new ATOM 0 HB ILE A 63 5.577 -9.166 -1.828 1.00 32.51 H new ATOM 0 HG12 ILE A 63 6.231 -7.870 0.817 1.00 22.53 H new ATOM 0 HG13 ILE A 63 7.365 -9.000 0.105 1.00 22.53 H new ATOM 0 HG21 ILE A 63 4.178 -7.303 -0.938 1.00 1.05 H new ATOM 0 HG22 ILE A 63 3.268 -8.818 -1.150 1.00 1.05 H new ATOM 0 HG23 ILE A 63 3.784 -8.309 0.476 1.00 1.05 H new ATOM 0 HD11 ILE A 63 7.889 -6.680 -0.586 1.00 52.03 H new ATOM 0 HD12 ILE A 63 7.408 -7.653 -1.996 1.00 52.03 H new ATOM 0 HD13 ILE A 63 6.256 -6.506 -1.272 1.00 52.03 H new ATOM 880 N LYS A 64 4.174 -11.950 -2.012 1.00 42.23 N ATOM 881 CA LYS A 64 3.056 -12.727 -2.561 1.00 45.42 C ATOM 882 C LYS A 64 2.747 -13.918 -1.663 1.00 65.13 C ATOM 883 O LYS A 64 1.573 -14.257 -1.512 1.00 5.12 O ATOM 884 CB LYS A 64 3.276 -13.170 -4.023 1.00 43.41 C ATOM 885 CG LYS A 64 3.697 -12.058 -4.991 1.00 14.34 C ATOM 886 CD LYS A 64 5.101 -12.205 -5.583 1.00 71.41 C ATOM 887 CE LYS A 64 5.138 -13.052 -6.853 1.00 3.23 C ATOM 888 NZ LYS A 64 6.516 -13.362 -7.279 1.00 30.43 N ATOM 0 H LYS A 64 5.012 -11.945 -2.594 1.00 42.23 H new ATOM 0 HA LYS A 64 2.192 -12.062 -2.581 1.00 45.42 H new ATOM 0 HB2 LYS A 64 4.038 -13.949 -4.038 1.00 43.41 H new ATOM 0 HB3 LYS A 64 2.354 -13.619 -4.391 1.00 43.41 H new ATOM 0 HG2 LYS A 64 2.978 -12.019 -5.809 1.00 14.34 H new ATOM 0 HG3 LYS A 64 3.638 -11.103 -4.469 1.00 14.34 H new ATOM 0 HD2 LYS A 64 5.500 -11.215 -5.804 1.00 71.41 H new ATOM 0 HD3 LYS A 64 5.757 -12.654 -4.837 1.00 71.41 H new ATOM 0 HE2 LYS A 64 4.595 -13.982 -6.683 1.00 3.23 H new ATOM 0 HE3 LYS A 64 4.622 -12.523 -7.655 1.00 3.23 H new ATOM 0 HZ1 LYS A 64 6.652 -13.055 -8.263 1.00 30.43 H new ATOM 0 HZ2 LYS A 64 7.190 -12.863 -6.664 1.00 30.43 H new ATOM 0 HZ3 LYS A 64 6.678 -14.387 -7.210 1.00 30.43 H new ATOM 898 N LYS A 65 3.751 -14.483 -0.980 1.00 43.05 N ATOM 899 CA LYS A 65 3.570 -15.594 -0.051 1.00 54.01 C ATOM 900 C LYS A 65 2.751 -15.182 1.173 1.00 74.14 C ATOM 901 O LYS A 65 2.229 -16.058 1.872 1.00 51.44 O ATOM 902 CB LYS A 65 4.947 -16.171 0.350 1.00 21.32 C ATOM 903 CG LYS A 65 5.599 -16.964 -0.800 1.00 45.33 C ATOM 904 CD LYS A 65 6.986 -16.427 -1.179 1.00 63.13 C ATOM 905 CE LYS A 65 8.135 -17.039 -0.376 1.00 13.43 C ATOM 906 NZ LYS A 65 8.792 -18.124 -1.126 1.00 1.20 N ATOM 0 H LYS A 65 4.720 -14.175 -1.061 1.00 43.05 H new ATOM 0 HA LYS A 65 3.000 -16.375 -0.554 1.00 54.01 H new ATOM 0 HB2 LYS A 65 5.608 -15.357 0.649 1.00 21.32 H new ATOM 0 HB3 LYS A 65 4.829 -16.821 1.217 1.00 21.32 H new ATOM 0 HG2 LYS A 65 5.686 -18.011 -0.510 1.00 45.33 H new ATOM 0 HG3 LYS A 65 4.949 -16.929 -1.674 1.00 45.33 H new ATOM 0 HD2 LYS A 65 7.158 -16.613 -2.239 1.00 63.13 H new ATOM 0 HD3 LYS A 65 6.995 -15.346 -1.040 1.00 63.13 H new ATOM 0 HE2 LYS A 65 8.865 -16.266 -0.135 1.00 13.43 H new ATOM 0 HE3 LYS A 65 7.755 -17.425 0.570 1.00 13.43 H new ATOM 0 HZ1 LYS A 65 9.567 -18.520 -0.557 1.00 1.20 H new ATOM 0 HZ2 LYS A 65 8.099 -18.871 -1.335 1.00 1.20 H new ATOM 0 HZ3 LYS A 65 9.174 -17.748 -2.017 1.00 1.20 H new ATOM 916 N GLN A 66 2.562 -13.882 1.415 1.00 45.44 N ATOM 917 CA GLN A 66 1.739 -13.362 2.501 1.00 4.42 C ATOM 918 C GLN A 66 0.333 -12.973 2.015 1.00 33.10 C ATOM 919 O GLN A 66 -0.386 -12.249 2.702 1.00 32.22 O ATOM 920 CB GLN A 66 2.495 -12.241 3.238 1.00 52.05 C ATOM 921 CG GLN A 66 3.520 -12.790 4.249 1.00 73.33 C ATOM 922 CD GLN A 66 4.726 -13.461 3.618 1.00 30.41 C ATOM 923 OE1 GLN A 66 4.715 -14.661 3.356 1.00 51.15 O ATOM 924 NE2 GLN A 66 5.787 -12.715 3.382 1.00 30.50 N ATOM 0 H GLN A 66 2.988 -13.149 0.847 1.00 45.44 H new ATOM 0 HA GLN A 66 1.562 -14.149 3.234 1.00 4.42 H new ATOM 0 HB2 GLN A 66 3.008 -11.613 2.510 1.00 52.05 H new ATOM 0 HB3 GLN A 66 1.779 -11.606 3.759 1.00 52.05 H new ATOM 0 HG2 GLN A 66 3.864 -11.971 4.880 1.00 73.33 H new ATOM 0 HG3 GLN A 66 3.021 -13.507 4.901 1.00 73.33 H new ATOM 0 HE21 GLN A 66 5.772 -11.721 3.608 1.00 30.50 H new ATOM 0 HE22 GLN A 66 6.623 -13.132 2.973 1.00 30.50 H new ATOM 931 N GLY A 67 -0.095 -13.475 0.851 1.00 41.34 N ATOM 932 CA GLY A 67 -1.483 -13.379 0.419 1.00 54.03 C ATOM 933 C GLY A 67 -1.740 -12.234 -0.558 1.00 34.33 C ATOM 934 O GLY A 67 -2.898 -11.874 -0.794 1.00 62.41 O ATOM 0 H GLY A 67 0.513 -13.956 0.188 1.00 41.34 H new ATOM 0 HA2 GLY A 67 -1.775 -14.319 -0.050 1.00 54.03 H new ATOM 0 HA3 GLY A 67 -2.119 -13.249 1.294 1.00 54.03 H new ATOM 938 N THR A 68 -0.681 -11.665 -1.130 1.00 61.35 N ATOM 939 CA THR A 68 -0.707 -10.451 -1.941 1.00 31.21 C ATOM 940 C THR A 68 -0.801 -10.794 -3.442 1.00 5.02 C ATOM 941 O THR A 68 -0.543 -11.941 -3.834 1.00 2.32 O ATOM 942 CB THR A 68 0.561 -9.638 -1.595 1.00 54.03 C ATOM 943 OG1 THR A 68 0.834 -9.711 -0.207 1.00 53.03 O ATOM 944 CG2 THR A 68 0.427 -8.157 -1.946 1.00 61.20 C ATOM 0 H THR A 68 0.257 -12.054 -1.037 1.00 61.35 H new ATOM 0 HA THR A 68 -1.590 -9.851 -1.721 1.00 31.21 H new ATOM 0 HB THR A 68 1.364 -10.078 -2.186 1.00 54.03 H new ATOM 0 HG1 THR A 68 1.635 -10.256 -0.059 1.00 53.03 H new ATOM 0 HG21 THR A 68 1.347 -7.636 -1.681 1.00 61.20 H new ATOM 0 HG22 THR A 68 0.245 -8.052 -3.016 1.00 61.20 H new ATOM 0 HG23 THR A 68 -0.407 -7.726 -1.392 1.00 61.20 H new ATOM 952 N THR A 69 -1.127 -9.810 -4.285 1.00 23.50 N ATOM 953 CA THR A 69 -1.039 -9.842 -5.747 1.00 30.22 C ATOM 954 C THR A 69 -0.471 -8.500 -6.225 1.00 21.21 C ATOM 955 O THR A 69 -0.419 -7.548 -5.444 1.00 2.34 O ATOM 956 CB THR A 69 -2.421 -10.109 -6.380 1.00 74.45 C ATOM 957 OG1 THR A 69 -3.438 -9.307 -5.802 1.00 21.54 O ATOM 958 CG2 THR A 69 -2.824 -11.570 -6.207 1.00 72.15 C ATOM 0 H THR A 69 -1.481 -8.916 -3.944 1.00 23.50 H new ATOM 0 HA THR A 69 -0.382 -10.655 -6.057 1.00 30.22 H new ATOM 0 HB THR A 69 -2.324 -9.860 -7.437 1.00 74.45 H new ATOM 0 HG1 THR A 69 -4.296 -9.506 -6.232 1.00 21.54 H new ATOM 0 HG21 THR A 69 -3.801 -11.734 -6.661 1.00 72.15 H new ATOM 0 HG22 THR A 69 -2.087 -12.211 -6.691 1.00 72.15 H new ATOM 0 HG23 THR A 69 -2.872 -11.811 -5.145 1.00 72.15 H new ATOM 966 N LEU A 70 -0.086 -8.399 -7.503 1.00 10.33 N ATOM 967 CA LEU A 70 0.407 -7.151 -8.094 1.00 61.22 C ATOM 968 C LEU A 70 -0.650 -6.045 -8.015 1.00 51.44 C ATOM 969 O LEU A 70 -0.324 -4.874 -7.834 1.00 71.40 O ATOM 970 CB LEU A 70 0.836 -7.429 -9.545 1.00 24.31 C ATOM 971 CG LEU A 70 1.346 -6.203 -10.320 1.00 44.01 C ATOM 972 CD1 LEU A 70 2.585 -5.576 -9.677 1.00 33.51 C ATOM 973 CD2 LEU A 70 1.686 -6.628 -11.750 1.00 44.21 C ATOM 0 H LEU A 70 -0.108 -9.182 -8.156 1.00 10.33 H new ATOM 0 HA LEU A 70 1.269 -6.794 -7.531 1.00 61.22 H new ATOM 0 HB2 LEU A 70 1.620 -8.186 -9.537 1.00 24.31 H new ATOM 0 HB3 LEU A 70 -0.012 -7.853 -10.083 1.00 24.31 H new ATOM 0 HG LEU A 70 0.556 -5.452 -10.308 1.00 44.01 H new ATOM 0 HD11 LEU A 70 2.903 -4.715 -10.264 1.00 33.51 H new ATOM 0 HD12 LEU A 70 2.346 -5.256 -8.663 1.00 33.51 H new ATOM 0 HD13 LEU A 70 3.390 -6.311 -9.645 1.00 33.51 H new ATOM 0 HD21 LEU A 70 2.049 -5.766 -12.309 1.00 44.21 H new ATOM 0 HD22 LEU A 70 2.458 -7.397 -11.727 1.00 44.21 H new ATOM 0 HD23 LEU A 70 0.793 -7.025 -12.234 1.00 44.21 H new ATOM 984 N GLU A 71 -1.918 -6.446 -8.079 1.00 34.44 N ATOM 985 CA GLU A 71 -3.102 -5.597 -7.996 1.00 62.40 C ATOM 986 C GLU A 71 -3.253 -4.860 -6.659 1.00 33.25 C ATOM 987 O GLU A 71 -3.997 -3.888 -6.532 1.00 74.51 O ATOM 988 CB GLU A 71 -4.305 -6.525 -8.172 1.00 65.12 C ATOM 989 CG GLU A 71 -5.465 -5.756 -8.784 1.00 72.13 C ATOM 990 CD GLU A 71 -6.810 -6.069 -8.131 1.00 41.24 C ATOM 991 OE1 GLU A 71 -7.122 -7.254 -7.891 1.00 74.14 O ATOM 992 OE2 GLU A 71 -7.496 -5.106 -7.708 1.00 5.32 O ATOM 0 H GLU A 71 -2.159 -7.430 -8.197 1.00 34.44 H new ATOM 0 HA GLU A 71 -3.022 -4.824 -8.760 1.00 62.40 H new ATOM 0 HB2 GLU A 71 -4.037 -7.366 -8.812 1.00 65.12 H new ATOM 0 HB3 GLU A 71 -4.600 -6.939 -7.208 1.00 65.12 H new ATOM 0 HG2 GLU A 71 -5.268 -4.687 -8.699 1.00 72.13 H new ATOM 0 HG3 GLU A 71 -5.523 -5.986 -9.848 1.00 72.13 H new ATOM 997 N MET A 72 -2.589 -5.380 -5.637 1.00 3.32 N ATOM 998 CA MET A 72 -2.443 -4.730 -4.340 1.00 33.15 C ATOM 999 C MET A 72 -1.458 -3.561 -4.471 1.00 14.04 C ATOM 1000 O MET A 72 -1.752 -2.428 -4.096 1.00 74.51 O ATOM 1001 CB MET A 72 -1.967 -5.750 -3.282 1.00 74.54 C ATOM 1002 CG MET A 72 -2.736 -5.647 -1.964 1.00 61.23 C ATOM 1003 SD MET A 72 -4.417 -6.325 -2.011 1.00 43.11 S ATOM 1004 CE MET A 72 -4.066 -8.093 -2.234 1.00 51.33 C ATOM 0 H MET A 72 -2.125 -6.287 -5.686 1.00 3.32 H new ATOM 0 HA MET A 72 -3.406 -4.340 -4.011 1.00 33.15 H new ATOM 0 HB2 MET A 72 -2.076 -6.758 -3.682 1.00 74.54 H new ATOM 0 HB3 MET A 72 -0.905 -5.597 -3.090 1.00 74.54 H new ATOM 0 HG2 MET A 72 -2.172 -6.165 -1.189 1.00 61.23 H new ATOM 0 HG3 MET A 72 -2.790 -4.598 -1.672 1.00 61.23 H new ATOM 0 HE1 MET A 72 -4.973 -8.670 -2.052 1.00 51.33 H new ATOM 0 HE2 MET A 72 -3.722 -8.270 -3.253 1.00 51.33 H new ATOM 0 HE3 MET A 72 -3.293 -8.402 -1.531 1.00 51.33 H new ATOM 1012 N ILE A 73 -0.270 -3.859 -4.995 1.00 25.23 N ATOM 1013 CA ILE A 73 0.921 -3.012 -5.002 1.00 3.42 C ATOM 1014 C ILE A 73 0.668 -1.729 -5.777 1.00 24.42 C ATOM 1015 O ILE A 73 1.062 -0.659 -5.324 1.00 43.12 O ATOM 1016 CB ILE A 73 2.085 -3.850 -5.584 1.00 34.52 C ATOM 1017 CG1 ILE A 73 2.285 -5.174 -4.809 1.00 43.24 C ATOM 1018 CG2 ILE A 73 3.420 -3.105 -5.689 1.00 30.25 C ATOM 1019 CD1 ILE A 73 2.298 -5.057 -3.278 1.00 51.32 C ATOM 0 H ILE A 73 -0.104 -4.754 -5.455 1.00 25.23 H new ATOM 0 HA ILE A 73 1.184 -2.695 -3.993 1.00 3.42 H new ATOM 0 HB ILE A 73 1.771 -4.067 -6.605 1.00 34.52 H new ATOM 0 HG12 ILE A 73 1.491 -5.864 -5.095 1.00 43.24 H new ATOM 0 HG13 ILE A 73 3.226 -5.621 -5.128 1.00 43.24 H new ATOM 0 HG21 ILE A 73 4.176 -3.770 -6.107 1.00 30.25 H new ATOM 0 HG22 ILE A 73 3.302 -2.237 -6.337 1.00 30.25 H new ATOM 0 HG23 ILE A 73 3.733 -2.778 -4.698 1.00 30.25 H new ATOM 0 HD11 ILE A 73 2.444 -6.044 -2.839 1.00 51.32 H new ATOM 0 HD12 ILE A 73 3.110 -4.399 -2.970 1.00 51.32 H new ATOM 0 HD13 ILE A 73 1.348 -4.645 -2.936 1.00 51.32 H new ATOM 1030 N THR A 74 -0.015 -1.830 -6.907 1.00 31.44 N ATOM 1031 CA THR A 74 -0.430 -0.708 -7.726 1.00 63.54 C ATOM 1032 C THR A 74 -1.283 0.279 -6.920 1.00 21.44 C ATOM 1033 O THR A 74 -0.942 1.463 -6.848 1.00 14.15 O ATOM 1034 CB THR A 74 -1.137 -1.283 -8.967 1.00 53.00 C ATOM 1035 OG1 THR A 74 -1.852 -2.470 -8.650 1.00 31.41 O ATOM 1036 CG2 THR A 74 -0.102 -1.620 -10.045 1.00 70.44 C ATOM 0 H THR A 74 -0.305 -2.730 -7.290 1.00 31.44 H new ATOM 0 HA THR A 74 0.424 -0.118 -8.059 1.00 63.54 H new ATOM 0 HB THR A 74 -1.836 -0.529 -9.327 1.00 53.00 H new ATOM 0 HG1 THR A 74 -2.292 -2.812 -9.456 1.00 31.41 H new ATOM 0 HG21 THR A 74 -0.608 -2.026 -10.921 1.00 70.44 H new ATOM 0 HG22 THR A 74 0.439 -0.716 -10.325 1.00 70.44 H new ATOM 0 HG23 THR A 74 0.601 -2.358 -9.657 1.00 70.44 H new ATOM 1044 N ALA A 75 -2.331 -0.202 -6.242 1.00 23.44 N ATOM 1045 CA ALA A 75 -3.251 0.676 -5.518 1.00 54.01 C ATOM 1046 C ALA A 75 -2.548 1.347 -4.333 1.00 2.44 C ATOM 1047 O ALA A 75 -2.812 2.510 -4.008 1.00 71.11 O ATOM 1048 CB ALA A 75 -4.464 -0.128 -5.037 1.00 12.41 C ATOM 0 H ALA A 75 -2.561 -1.194 -6.181 1.00 23.44 H new ATOM 0 HA ALA A 75 -3.589 1.461 -6.195 1.00 54.01 H new ATOM 0 HB1 ALA A 75 -5.146 0.530 -4.498 1.00 12.41 H new ATOM 0 HB2 ALA A 75 -4.978 -0.560 -5.896 1.00 12.41 H new ATOM 0 HB3 ALA A 75 -4.131 -0.927 -4.374 1.00 12.41 H new ATOM 1054 N TRP A 76 -1.647 0.604 -3.691 1.00 62.30 N ATOM 1055 CA TRP A 76 -0.857 1.022 -2.554 1.00 25.13 C ATOM 1056 C TRP A 76 0.363 1.852 -2.928 1.00 44.10 C ATOM 1057 O TRP A 76 1.001 2.395 -2.023 1.00 1.11 O ATOM 1058 CB TRP A 76 -0.440 -0.233 -1.786 1.00 5.43 C ATOM 1059 CG TRP A 76 -1.459 -0.652 -0.792 1.00 13.34 C ATOM 1060 CD1 TRP A 76 -2.274 -1.718 -0.897 1.00 72.40 C ATOM 1061 CD2 TRP A 76 -1.878 0.059 0.408 1.00 5.42 C ATOM 1062 NE1 TRP A 76 -3.143 -1.731 0.168 1.00 44.34 N ATOM 1063 CE2 TRP A 76 -2.933 -0.671 1.018 1.00 71.40 C ATOM 1064 CE3 TRP A 76 -1.512 1.283 1.010 1.00 44.24 C ATOM 1065 CZ2 TRP A 76 -3.584 -0.217 2.173 1.00 63.24 C ATOM 1066 CZ3 TRP A 76 -2.116 1.714 2.202 1.00 33.15 C ATOM 1067 CH2 TRP A 76 -3.169 0.975 2.777 1.00 42.13 C ATOM 0 H TRP A 76 -1.445 -0.355 -3.972 1.00 62.30 H new ATOM 0 HA TRP A 76 -1.471 1.679 -1.938 1.00 25.13 H new ATOM 0 HB2 TRP A 76 -0.268 -1.047 -2.491 1.00 5.43 H new ATOM 0 HB3 TRP A 76 0.506 -0.047 -1.277 1.00 5.43 H new ATOM 0 HD1 TRP A 76 -2.249 -2.448 -1.693 1.00 72.40 H new ATOM 0 HE1 TRP A 76 -3.859 -2.443 0.311 1.00 44.34 H new ATOM 0 HE3 TRP A 76 -0.755 1.898 0.546 1.00 44.24 H new ATOM 0 HZ2 TRP A 76 -4.401 -0.784 2.594 1.00 63.24 H new ATOM 0 HZ3 TRP A 76 -1.771 2.618 2.681 1.00 33.15 H new ATOM 0 HH2 TRP A 76 -3.652 1.326 3.677 1.00 42.13 H new ATOM 1077 N GLN A 77 0.721 1.940 -4.204 1.00 65.32 N ATOM 1078 CA GLN A 77 1.687 2.901 -4.694 1.00 41.23 C ATOM 1079 C GLN A 77 0.956 4.221 -4.894 1.00 22.32 C ATOM 1080 O GLN A 77 1.298 5.213 -4.246 1.00 52.41 O ATOM 1081 CB GLN A 77 2.310 2.383 -5.996 1.00 41.31 C ATOM 1082 CG GLN A 77 3.345 3.360 -6.556 1.00 44.44 C ATOM 1083 CD GLN A 77 3.025 3.829 -7.968 1.00 63.22 C ATOM 1084 OE1 GLN A 77 2.085 4.579 -8.209 1.00 4.11 O ATOM 1085 NE2 GLN A 77 3.818 3.405 -8.934 1.00 33.34 N ATOM 0 H GLN A 77 0.340 1.336 -4.932 1.00 65.32 H new ATOM 0 HA GLN A 77 2.503 3.049 -3.987 1.00 41.23 H new ATOM 0 HB2 GLN A 77 2.782 1.417 -5.815 1.00 41.31 H new ATOM 0 HB3 GLN A 77 1.526 2.221 -6.735 1.00 41.31 H new ATOM 0 HG2 GLN A 77 3.410 4.227 -5.898 1.00 44.44 H new ATOM 0 HG3 GLN A 77 4.325 2.883 -6.552 1.00 44.44 H new ATOM 0 HE21 GLN A 77 4.596 2.781 -8.718 1.00 33.34 H new ATOM 0 HE22 GLN A 77 3.653 3.701 -9.896 1.00 33.34 H new ATOM 1092 N ASP A 78 -0.059 4.181 -5.758 1.00 41.10 N ATOM 1093 CA ASP A 78 -0.844 5.304 -6.255 1.00 52.30 C ATOM 1094 C ASP A 78 -1.318 6.174 -5.097 1.00 14.13 C ATOM 1095 O ASP A 78 -1.153 7.392 -5.144 1.00 35.14 O ATOM 1096 CB ASP A 78 -2.027 4.714 -7.043 1.00 53.44 C ATOM 1097 CG ASP A 78 -2.872 5.754 -7.782 1.00 73.34 C ATOM 1098 OD1 ASP A 78 -3.237 6.795 -7.195 1.00 74.10 O ATOM 1099 OD2 ASP A 78 -3.198 5.491 -8.964 1.00 60.54 O ATOM 0 H ASP A 78 -0.374 3.296 -6.156 1.00 41.10 H new ATOM 0 HA ASP A 78 -0.248 5.946 -6.904 1.00 52.30 H new ATOM 0 HB2 ASP A 78 -1.644 3.994 -7.766 1.00 53.44 H new ATOM 0 HB3 ASP A 78 -2.669 4.164 -6.355 1.00 53.44 H new ATOM 1103 N PHE A 79 -1.820 5.557 -4.018 1.00 43.34 N ATOM 1104 CA PHE A 79 -2.298 6.320 -2.872 1.00 22.45 C ATOM 1105 C PHE A 79 -1.222 7.271 -2.328 1.00 20.52 C ATOM 1106 O PHE A 79 -1.497 8.453 -2.132 1.00 53.44 O ATOM 1107 CB PHE A 79 -2.842 5.399 -1.768 1.00 70.52 C ATOM 1108 CG PHE A 79 -3.277 6.160 -0.529 1.00 22.45 C ATOM 1109 CD1 PHE A 79 -4.084 7.310 -0.650 1.00 63.24 C ATOM 1110 CD2 PHE A 79 -2.809 5.776 0.742 1.00 21.21 C ATOM 1111 CE1 PHE A 79 -4.365 8.101 0.473 1.00 60.41 C ATOM 1112 CE2 PHE A 79 -3.088 6.575 1.859 1.00 30.13 C ATOM 1113 CZ PHE A 79 -3.861 7.740 1.732 1.00 52.20 C ATOM 0 H PHE A 79 -1.902 4.545 -3.921 1.00 43.34 H new ATOM 0 HA PHE A 79 -3.125 6.937 -3.223 1.00 22.45 H new ATOM 0 HB2 PHE A 79 -3.689 4.833 -2.157 1.00 70.52 H new ATOM 0 HB3 PHE A 79 -2.074 4.675 -1.494 1.00 70.52 H new ATOM 0 HD1 PHE A 79 -4.488 7.583 -1.614 1.00 63.24 H new ATOM 0 HD2 PHE A 79 -2.236 4.868 0.856 1.00 21.21 H new ATOM 0 HE1 PHE A 79 -4.970 8.989 0.369 1.00 60.41 H new ATOM 0 HE2 PHE A 79 -2.704 6.291 2.828 1.00 30.13 H new ATOM 0 HZ PHE A 79 -4.066 8.354 2.597 1.00 52.20 H new ATOM 1122 N TYR A 80 0.002 6.787 -2.090 1.00 63.14 N ATOM 1123 CA TYR A 80 1.065 7.654 -1.589 1.00 22.53 C ATOM 1124 C TYR A 80 1.549 8.626 -2.661 1.00 24.41 C ATOM 1125 O TYR A 80 1.998 9.718 -2.310 1.00 13.42 O ATOM 1126 CB TYR A 80 2.241 6.845 -1.038 1.00 54.30 C ATOM 1127 CG TYR A 80 1.907 6.105 0.236 1.00 63.22 C ATOM 1128 CD1 TYR A 80 1.832 6.765 1.476 1.00 41.30 C ATOM 1129 CD2 TYR A 80 1.632 4.738 0.161 1.00 74.13 C ATOM 1130 CE1 TYR A 80 1.433 6.075 2.630 1.00 72.22 C ATOM 1131 CE2 TYR A 80 1.231 4.036 1.308 1.00 13.42 C ATOM 1132 CZ TYR A 80 1.112 4.705 2.547 1.00 71.11 C ATOM 1133 OH TYR A 80 0.775 4.036 3.682 1.00 61.44 O ATOM 0 H TYR A 80 0.275 5.815 -2.234 1.00 63.14 H new ATOM 0 HA TYR A 80 0.638 8.233 -0.771 1.00 22.53 H new ATOM 0 HB2 TYR A 80 2.566 6.129 -1.792 1.00 54.30 H new ATOM 0 HB3 TYR A 80 3.080 7.516 -0.852 1.00 54.30 H new ATOM 0 HD1 TYR A 80 2.084 7.813 1.540 1.00 41.30 H new ATOM 0 HD2 TYR A 80 1.728 4.220 -0.782 1.00 74.13 H new ATOM 0 HE1 TYR A 80 1.372 6.591 3.577 1.00 72.22 H new ATOM 0 HE2 TYR A 80 1.012 2.980 1.244 1.00 13.42 H new ATOM 0 HH TYR A 80 0.580 3.101 3.465 1.00 61.44 H new ATOM 1142 N GLU A 81 1.492 8.265 -3.946 1.00 3.14 N ATOM 1143 CA GLU A 81 1.785 9.183 -5.048 1.00 31.53 C ATOM 1144 C GLU A 81 0.855 10.400 -4.964 1.00 34.45 C ATOM 1145 O GLU A 81 1.312 11.540 -5.066 1.00 54.44 O ATOM 1146 CB GLU A 81 1.764 8.434 -6.401 1.00 42.30 C ATOM 1147 CG GLU A 81 2.991 7.501 -6.496 1.00 34.32 C ATOM 1148 CD GLU A 81 3.555 7.213 -7.894 1.00 61.52 C ATOM 1149 OE1 GLU A 81 3.103 7.800 -8.907 1.00 32.24 O ATOM 1150 OE2 GLU A 81 4.580 6.496 -7.962 1.00 63.44 O ATOM 0 H GLU A 81 1.240 7.325 -4.251 1.00 3.14 H new ATOM 0 HA GLU A 81 2.798 9.576 -4.965 1.00 31.53 H new ATOM 0 HB2 GLU A 81 0.846 7.854 -6.493 1.00 42.30 H new ATOM 0 HB3 GLU A 81 1.773 9.149 -7.224 1.00 42.30 H new ATOM 0 HG2 GLU A 81 3.790 7.933 -5.893 1.00 34.32 H new ATOM 0 HG3 GLU A 81 2.726 6.548 -6.037 1.00 34.32 H new ATOM 1155 N GLN A 82 -0.415 10.177 -4.622 1.00 71.32 N ATOM 1156 CA GLN A 82 -1.404 11.246 -4.504 1.00 14.25 C ATOM 1157 C GLN A 82 -1.134 12.217 -3.347 1.00 15.24 C ATOM 1158 O GLN A 82 -1.664 13.337 -3.367 1.00 32.15 O ATOM 1159 CB GLN A 82 -2.834 10.699 -4.380 1.00 4.22 C ATOM 1160 CG GLN A 82 -3.367 9.925 -5.583 1.00 51.33 C ATOM 1161 CD GLN A 82 -2.797 10.346 -6.936 1.00 44.43 C ATOM 1162 OE1 GLN A 82 -2.899 11.504 -7.329 1.00 12.43 O ATOM 1163 NE2 GLN A 82 -2.188 9.428 -7.666 1.00 53.40 N ATOM 0 H GLN A 82 -0.786 9.249 -4.419 1.00 71.32 H new ATOM 0 HA GLN A 82 -1.308 11.807 -5.434 1.00 14.25 H new ATOM 0 HB2 GLN A 82 -2.877 10.047 -3.507 1.00 4.22 H new ATOM 0 HB3 GLN A 82 -3.505 11.536 -4.186 1.00 4.22 H new ATOM 0 HG2 GLN A 82 -3.159 8.866 -5.434 1.00 51.33 H new ATOM 0 HG3 GLN A 82 -4.451 10.036 -5.614 1.00 51.33 H new ATOM 0 HE21 GLN A 82 -2.113 8.470 -7.323 1.00 53.40 H new ATOM 0 HE22 GLN A 82 -1.793 9.677 -8.573 1.00 53.40 H new ATOM 1170 N GLU A 83 -0.331 11.823 -2.357 1.00 51.30 N ATOM 1171 CA GLU A 83 0.056 12.674 -1.237 1.00 20.15 C ATOM 1172 C GLU A 83 1.163 13.636 -1.650 1.00 22.33 C ATOM 1173 O GLU A 83 1.323 14.675 -1.027 1.00 24.33 O ATOM 1174 CB GLU A 83 0.613 11.867 -0.051 1.00 60.12 C ATOM 1175 CG GLU A 83 -0.237 10.684 0.415 1.00 22.13 C ATOM 1176 CD GLU A 83 -1.466 11.110 1.231 1.00 71.24 C ATOM 1177 OE1 GLU A 83 -2.330 11.875 0.737 1.00 2.02 O ATOM 1178 OE2 GLU A 83 -1.510 10.741 2.426 1.00 74.20 O ATOM 0 H GLU A 83 0.074 10.888 -2.313 1.00 51.30 H new ATOM 0 HA GLU A 83 -0.852 13.199 -0.941 1.00 20.15 H new ATOM 0 HB2 GLU A 83 1.600 11.494 -0.323 1.00 60.12 H new ATOM 0 HB3 GLU A 83 0.749 12.545 0.792 1.00 60.12 H new ATOM 0 HG2 GLU A 83 -0.565 10.115 -0.455 1.00 22.13 H new ATOM 0 HG3 GLU A 83 0.379 10.017 1.018 1.00 22.13 H new ATOM 1183 N GLN A 84 1.975 13.291 -2.648 1.00 51.10 N ATOM 1184 CA GLN A 84 3.218 14.017 -2.894 1.00 12.12 C ATOM 1185 C GLN A 84 2.994 15.268 -3.717 1.00 74.20 C ATOM 1186 O GLN A 84 3.744 16.230 -3.574 1.00 42.02 O ATOM 1187 CB GLN A 84 4.182 13.100 -3.627 1.00 23.24 C ATOM 1188 CG GLN A 84 4.739 12.068 -2.653 1.00 63.51 C ATOM 1189 CD GLN A 84 5.230 10.889 -3.456 1.00 11.21 C ATOM 1190 OE1 GLN A 84 6.164 11.002 -4.242 1.00 41.33 O ATOM 1191 NE2 GLN A 84 4.622 9.740 -3.259 1.00 62.51 N ATOM 0 H GLN A 84 1.797 12.521 -3.293 1.00 51.10 H new ATOM 0 HA GLN A 84 3.627 14.325 -1.932 1.00 12.12 H new ATOM 0 HB2 GLN A 84 3.671 12.601 -4.450 1.00 23.24 H new ATOM 0 HB3 GLN A 84 4.995 13.682 -4.062 1.00 23.24 H new ATOM 0 HG2 GLN A 84 5.553 12.496 -2.068 1.00 63.51 H new ATOM 0 HG3 GLN A 84 3.969 11.755 -1.948 1.00 63.51 H new ATOM 0 HE21 GLN A 84 3.848 9.679 -2.598 1.00 62.51 H new ATOM 0 HE22 GLN A 84 4.925 8.909 -3.767 1.00 62.51 H new ATOM 1198 N GLN A 85 1.974 15.263 -4.570 1.00 24.33 N ATOM 1199 CA GLN A 85 1.651 16.418 -5.383 1.00 64.33 C ATOM 1200 C GLN A 85 1.306 17.617 -4.494 1.00 40.34 C ATOM 1201 O GLN A 85 1.691 18.745 -4.806 1.00 73.34 O ATOM 1202 CB GLN A 85 0.525 16.028 -6.350 1.00 21.15 C ATOM 1203 CG GLN A 85 -0.849 15.836 -5.687 1.00 34.12 C ATOM 1204 CD GLN A 85 -1.791 15.082 -6.616 1.00 73.24 C ATOM 1205 OE1 GLN A 85 -1.931 15.442 -7.780 1.00 15.31 O ATOM 1206 NE2 GLN A 85 -2.429 14.034 -6.124 1.00 63.32 N ATOM 0 H GLN A 85 1.357 14.464 -4.712 1.00 24.33 H new ATOM 0 HA GLN A 85 2.508 16.731 -5.979 1.00 64.33 H new ATOM 0 HB2 GLN A 85 0.439 16.798 -7.117 1.00 21.15 H new ATOM 0 HB3 GLN A 85 0.802 15.103 -6.856 1.00 21.15 H new ATOM 0 HG2 GLN A 85 -0.734 15.287 -4.752 1.00 34.12 H new ATOM 0 HG3 GLN A 85 -1.277 16.807 -5.436 1.00 34.12 H new ATOM 0 HE21 GLN A 85 -2.289 13.762 -5.151 1.00 63.32 H new ATOM 0 HE22 GLN A 85 -3.061 13.497 -6.718 1.00 63.32 H new ATOM 1213 N ARG A 86 0.591 17.378 -3.387 1.00 63.52 N ATOM 1214 CA ARG A 86 0.094 18.438 -2.511 1.00 23.31 C ATOM 1215 C ARG A 86 1.193 19.027 -1.637 1.00 72.44 C ATOM 1216 O ARG A 86 1.070 20.194 -1.264 1.00 44.14 O ATOM 1217 CB ARG A 86 -1.106 17.962 -1.662 1.00 4.42 C ATOM 1218 CG ARG A 86 -0.847 16.664 -0.889 1.00 4.15 C ATOM 1219 CD ARG A 86 -2.050 16.045 -0.169 1.00 14.21 C ATOM 1220 NE ARG A 86 -2.391 16.726 1.092 1.00 71.54 N ATOM 1221 CZ ARG A 86 -3.122 16.199 2.087 1.00 21.12 C ATOM 1222 NH1 ARG A 86 -3.739 15.028 1.960 1.00 12.24 N ATOM 1223 NH2 ARG A 86 -3.227 16.881 3.216 1.00 51.03 N ATOM 0 H ARG A 86 0.342 16.439 -3.076 1.00 63.52 H new ATOM 0 HA ARG A 86 -0.259 19.239 -3.161 1.00 23.31 H new ATOM 0 HB2 ARG A 86 -1.372 18.747 -0.954 1.00 4.42 H new ATOM 0 HB3 ARG A 86 -1.966 17.818 -2.316 1.00 4.42 H new ATOM 0 HG2 ARG A 86 -0.449 15.926 -1.585 1.00 4.15 H new ATOM 0 HG3 ARG A 86 -0.069 16.856 -0.150 1.00 4.15 H new ATOM 0 HD2 ARG A 86 -2.914 16.071 -0.833 1.00 14.21 H new ATOM 0 HD3 ARG A 86 -1.839 14.996 0.039 1.00 14.21 H new ATOM 0 HE ARG A 86 -2.043 17.676 1.220 1.00 71.54 H new ATOM 0 HH11 ARG A 86 -3.664 14.504 1.088 1.00 12.24 H new ATOM 0 HH12 ARG A 86 -4.287 14.654 2.734 1.00 12.24 H new ATOM 0 HH21 ARG A 86 -2.759 17.782 3.313 1.00 51.03 H new ATOM 0 HH22 ARG A 86 -3.776 16.506 3.989 1.00 51.03 H new ATOM 1234 N ASN A 87 2.242 18.271 -1.293 1.00 1.14 N ATOM 1235 CA ASN A 87 3.282 18.756 -0.410 1.00 20.25 C ATOM 1236 C ASN A 87 4.653 18.197 -0.774 1.00 72.52 C ATOM 1237 O ASN A 87 4.869 17.008 -1.004 1.00 40.33 O ATOM 1238 CB ASN A 87 2.936 18.520 1.067 1.00 12.21 C ATOM 1239 CG ASN A 87 2.664 17.072 1.473 1.00 54.41 C ATOM 1240 OD1 ASN A 87 2.949 16.113 0.779 1.00 64.24 O ATOM 1241 ND2 ASN A 87 2.122 16.880 2.660 1.00 3.42 N ATOM 0 H ASN A 87 2.384 17.316 -1.621 1.00 1.14 H new ATOM 0 HA ASN A 87 3.338 19.835 -0.553 1.00 20.25 H new ATOM 0 HB2 ASN A 87 3.757 18.898 1.676 1.00 12.21 H new ATOM 0 HB3 ASN A 87 2.057 19.116 1.312 1.00 12.21 H new ATOM 0 HD21 ASN A 87 1.944 15.932 2.992 1.00 3.42 H new ATOM 0 HD22 ASN A 87 1.881 17.679 3.246 1.00 3.42 H new ATOM 1247 N GLU A 88 5.621 19.103 -0.731 1.00 54.20 N ATOM 1248 CA GLU A 88 7.049 18.853 -0.974 1.00 21.55 C ATOM 1249 C GLU A 88 7.703 18.142 0.227 1.00 31.25 C ATOM 1250 O GLU A 88 8.850 17.699 0.173 1.00 63.34 O ATOM 1251 CB GLU A 88 7.742 20.212 -1.239 1.00 73.51 C ATOM 1252 CG GLU A 88 8.293 20.368 -2.664 1.00 20.14 C ATOM 1253 CD GLU A 88 9.792 20.061 -2.772 1.00 51.12 C ATOM 1254 OE1 GLU A 88 10.264 19.008 -2.291 1.00 32.44 O ATOM 1255 OE2 GLU A 88 10.529 20.876 -3.374 1.00 3.15 O ATOM 0 H GLU A 88 5.430 20.082 -0.516 1.00 54.20 H new ATOM 0 HA GLU A 88 7.160 18.198 -1.838 1.00 21.55 H new ATOM 0 HB2 GLU A 88 7.030 21.014 -1.047 1.00 73.51 H new ATOM 0 HB3 GLU A 88 8.560 20.335 -0.529 1.00 73.51 H new ATOM 0 HG2 GLU A 88 7.744 19.705 -3.333 1.00 20.14 H new ATOM 0 HG3 GLU A 88 8.112 21.387 -3.006 1.00 20.14 H new ATOM 1260 N ASN A 89 7.001 18.063 1.360 1.00 35.52 N ATOM 1261 CA ASN A 89 7.588 17.818 2.678 1.00 62.32 C ATOM 1262 C ASN A 89 6.981 16.564 3.299 1.00 43.00 C ATOM 1263 O ASN A 89 6.721 16.540 4.502 1.00 74.51 O ATOM 1264 CB ASN A 89 7.428 19.062 3.583 1.00 42.11 C ATOM 1265 CG ASN A 89 8.075 20.347 3.068 1.00 75.40 C ATOM 1266 OD1 ASN A 89 7.746 21.435 3.536 1.00 53.21 O ATOM 1267 ND2 ASN A 89 8.977 20.280 2.101 1.00 12.05 N ATOM 0 H ASN A 89 5.987 18.170 1.386 1.00 35.52 H new ATOM 0 HA ASN A 89 8.658 17.641 2.569 1.00 62.32 H new ATOM 0 HB2 ASN A 89 6.364 19.247 3.729 1.00 42.11 H new ATOM 0 HB3 ASN A 89 7.849 18.832 4.562 1.00 42.11 H new ATOM 0 HD21 ASN A 89 9.403 21.134 1.741 1.00 12.05 H new ATOM 0 HD22 ASN A 89 9.246 19.374 1.716 1.00 12.05 H new ATOM 1273 N ASN A 90 6.712 15.536 2.485 1.00 24.54 N ATOM 1274 CA ASN A 90 6.096 14.296 2.962 1.00 4.31 C ATOM 1275 C ASN A 90 6.902 13.079 2.527 1.00 13.41 C ATOM 1276 O ASN A 90 6.465 12.284 1.687 1.00 14.35 O ATOM 1277 CB ASN A 90 4.641 14.242 2.509 1.00 51.04 C ATOM 1278 CG ASN A 90 3.765 13.343 3.357 1.00 13.14 C ATOM 1279 OD1 ASN A 90 3.739 13.439 4.580 1.00 42.44 O ATOM 1280 ND2 ASN A 90 2.978 12.487 2.749 1.00 61.12 N ATOM 0 H ASN A 90 6.914 15.541 1.485 1.00 24.54 H new ATOM 0 HA ASN A 90 6.101 14.281 4.052 1.00 4.31 H new ATOM 0 HB2 ASN A 90 4.229 15.251 2.523 1.00 51.04 H new ATOM 0 HB3 ASN A 90 4.605 13.897 1.476 1.00 51.04 H new ATOM 0 HD21 ASN A 90 2.344 11.901 3.293 1.00 61.12 H new ATOM 0 HD22 ASN A 90 3.000 12.407 1.732 1.00 61.12 H new ATOM 1286 N PRO A 91 8.112 12.928 3.083 1.00 43.11 N ATOM 1287 CA PRO A 91 9.038 11.882 2.692 1.00 60.21 C ATOM 1288 C PRO A 91 8.482 10.491 2.991 1.00 73.52 C ATOM 1289 O PRO A 91 8.834 9.566 2.263 1.00 22.43 O ATOM 1290 CB PRO A 91 10.324 12.167 3.472 1.00 22.21 C ATOM 1291 CG PRO A 91 9.810 12.882 4.717 1.00 3.04 C ATOM 1292 CD PRO A 91 8.670 13.716 4.171 1.00 20.13 C ATOM 0 HA PRO A 91 9.217 11.886 1.617 1.00 60.21 H new ATOM 0 HB2 PRO A 91 10.857 11.250 3.723 1.00 22.21 H new ATOM 0 HB3 PRO A 91 11.013 12.791 2.903 1.00 22.21 H new ATOM 0 HG2 PRO A 91 9.470 12.179 5.477 1.00 3.04 H new ATOM 0 HG3 PRO A 91 10.581 13.500 5.177 1.00 3.04 H new ATOM 0 HD2 PRO A 91 7.922 13.913 4.939 1.00 20.13 H new ATOM 0 HD3 PRO A 91 9.024 14.684 3.816 1.00 20.13 H new ATOM 1297 N THR A 92 7.606 10.323 3.994 1.00 52.04 N ATOM 1298 CA THR A 92 6.978 9.041 4.278 1.00 22.33 C ATOM 1299 C THR A 92 6.290 8.560 3.006 1.00 34.55 C ATOM 1300 O THR A 92 6.708 7.544 2.450 1.00 2.32 O ATOM 1301 CB THR A 92 6.064 9.128 5.518 1.00 20.51 C ATOM 1302 OG1 THR A 92 6.844 9.480 6.644 1.00 64.51 O ATOM 1303 CG2 THR A 92 5.402 7.787 5.836 1.00 4.01 C ATOM 0 H THR A 92 7.320 11.073 4.623 1.00 52.04 H new ATOM 0 HA THR A 92 7.719 8.289 4.551 1.00 22.33 H new ATOM 0 HB THR A 92 5.295 9.869 5.301 1.00 20.51 H new ATOM 0 HG1 THR A 92 6.269 9.539 7.435 1.00 64.51 H new ATOM 0 HG21 THR A 92 4.768 7.894 6.716 1.00 4.01 H new ATOM 0 HG22 THR A 92 4.795 7.470 4.988 1.00 4.01 H new ATOM 0 HG23 THR A 92 6.171 7.039 6.032 1.00 4.01 H new ATOM 1311 N ALA A 93 5.311 9.308 2.493 1.00 55.10 N ATOM 1312 CA ALA A 93 4.636 8.933 1.262 1.00 33.51 C ATOM 1313 C ALA A 93 5.621 8.771 0.111 1.00 2.02 C ATOM 1314 O ALA A 93 5.561 7.775 -0.609 1.00 51.00 O ATOM 1315 CB ALA A 93 3.573 9.972 0.912 1.00 62.34 C ATOM 0 H ALA A 93 4.973 10.173 2.914 1.00 55.10 H new ATOM 0 HA ALA A 93 4.155 7.968 1.421 1.00 33.51 H new ATOM 0 HB1 ALA A 93 3.072 9.683 -0.012 1.00 62.34 H new ATOM 0 HB2 ALA A 93 2.842 10.030 1.718 1.00 62.34 H new ATOM 0 HB3 ALA A 93 4.045 10.945 0.780 1.00 62.34 H new ATOM 1321 N LYS A 94 6.542 9.725 -0.034 1.00 3.34 N ATOM 1322 CA LYS A 94 7.517 9.721 -1.119 1.00 3.45 C ATOM 1323 C LYS A 94 8.247 8.384 -1.264 1.00 12.12 C ATOM 1324 O LYS A 94 8.169 7.751 -2.318 1.00 74.43 O ATOM 1325 CB LYS A 94 8.434 10.940 -0.955 1.00 20.12 C ATOM 1326 CG LYS A 94 8.967 11.444 -2.300 1.00 13.14 C ATOM 1327 CD LYS A 94 9.012 12.980 -2.350 1.00 22.21 C ATOM 1328 CE LYS A 94 9.805 13.653 -1.216 1.00 15.32 C ATOM 1329 NZ LYS A 94 9.723 15.130 -1.294 1.00 21.11 N ATOM 0 H LYS A 94 6.631 10.520 0.598 1.00 3.34 H new ATOM 0 HA LYS A 94 7.003 9.818 -2.075 1.00 3.45 H new ATOM 0 HB2 LYS A 94 7.886 11.741 -0.459 1.00 20.12 H new ATOM 0 HB3 LYS A 94 9.272 10.679 -0.308 1.00 20.12 H new ATOM 0 HG2 LYS A 94 9.967 11.044 -2.469 1.00 13.14 H new ATOM 0 HG3 LYS A 94 8.334 11.071 -3.106 1.00 13.14 H new ATOM 0 HD2 LYS A 94 9.445 13.283 -3.303 1.00 22.21 H new ATOM 0 HD3 LYS A 94 7.990 13.358 -2.330 1.00 22.21 H new ATOM 0 HE2 LYS A 94 9.420 13.317 -0.253 1.00 15.32 H new ATOM 0 HE3 LYS A 94 10.849 13.343 -1.268 1.00 15.32 H new ATOM 0 HZ1 LYS A 94 10.680 15.526 -1.388 1.00 21.11 H new ATOM 0 HZ2 LYS A 94 9.153 15.403 -2.120 1.00 21.11 H new ATOM 0 HZ3 LYS A 94 9.279 15.499 -0.429 1.00 21.11 H new ATOM 1339 N TYR A 95 8.920 7.917 -0.212 1.00 12.43 N ATOM 1340 CA TYR A 95 9.610 6.635 -0.270 1.00 32.51 C ATOM 1341 C TYR A 95 8.612 5.467 -0.370 1.00 73.20 C ATOM 1342 O TYR A 95 8.878 4.510 -1.098 1.00 2.32 O ATOM 1343 CB TYR A 95 10.543 6.479 0.938 1.00 31.52 C ATOM 1344 CG TYR A 95 11.699 7.467 1.022 1.00 63.22 C ATOM 1345 CD1 TYR A 95 12.778 7.405 0.118 1.00 23.15 C ATOM 1346 CD2 TYR A 95 11.717 8.437 2.037 1.00 73.11 C ATOM 1347 CE1 TYR A 95 13.847 8.318 0.212 1.00 14.22 C ATOM 1348 CE2 TYR A 95 12.771 9.355 2.144 1.00 60.31 C ATOM 1349 CZ TYR A 95 13.845 9.296 1.233 1.00 44.30 C ATOM 1350 OH TYR A 95 14.885 10.163 1.358 1.00 4.24 O ATOM 0 H TYR A 95 9.000 8.404 0.681 1.00 12.43 H new ATOM 0 HA TYR A 95 10.219 6.612 -1.174 1.00 32.51 H new ATOM 0 HB2 TYR A 95 9.947 6.570 1.846 1.00 31.52 H new ATOM 0 HB3 TYR A 95 10.954 5.470 0.926 1.00 31.52 H new ATOM 0 HD1 TYR A 95 12.786 6.650 -0.654 1.00 23.15 H new ATOM 0 HD2 TYR A 95 10.905 8.477 2.748 1.00 73.11 H new ATOM 0 HE1 TYR A 95 14.664 8.271 -0.493 1.00 14.22 H new ATOM 0 HE2 TYR A 95 12.760 10.105 2.921 1.00 60.31 H new ATOM 0 HH TYR A 95 14.718 10.767 2.111 1.00 4.24 H new ATOM 1359 N ARG A 96 7.462 5.512 0.323 1.00 14.13 N ATOM 1360 CA ARG A 96 6.466 4.429 0.301 1.00 2.15 C ATOM 1361 C ARG A 96 5.962 4.126 -1.107 1.00 45.01 C ATOM 1362 O ARG A 96 5.896 2.951 -1.473 1.00 50.44 O ATOM 1363 CB ARG A 96 5.266 4.765 1.203 1.00 70.23 C ATOM 1364 CG ARG A 96 5.579 4.581 2.688 1.00 51.03 C ATOM 1365 CD ARG A 96 4.330 4.657 3.556 1.00 51.43 C ATOM 1366 NE ARG A 96 4.613 4.193 4.922 1.00 54.23 N ATOM 1367 CZ ARG A 96 3.930 4.549 6.013 1.00 54.33 C ATOM 1368 NH1 ARG A 96 2.800 5.235 5.915 1.00 1.21 N ATOM 1369 NH2 ARG A 96 4.390 4.224 7.212 1.00 32.43 N ATOM 0 H ARG A 96 7.197 6.300 0.914 1.00 14.13 H new ATOM 0 HA ARG A 96 6.975 3.542 0.678 1.00 2.15 H new ATOM 0 HB2 ARG A 96 4.959 5.796 1.025 1.00 70.23 H new ATOM 0 HB3 ARG A 96 4.423 4.130 0.932 1.00 70.23 H new ATOM 0 HG2 ARG A 96 6.065 3.617 2.838 1.00 51.03 H new ATOM 0 HG3 ARG A 96 6.286 5.347 3.005 1.00 51.03 H new ATOM 0 HD2 ARG A 96 3.964 5.683 3.585 1.00 51.43 H new ATOM 0 HD3 ARG A 96 3.539 4.048 3.117 1.00 51.43 H new ATOM 0 HE ARG A 96 5.393 3.548 5.046 1.00 54.23 H new ATOM 0 HH11 ARG A 96 2.441 5.498 4.997 1.00 1.21 H new ATOM 0 HH12 ARG A 96 2.289 5.500 6.757 1.00 1.21 H new ATOM 0 HH21 ARG A 96 5.263 3.704 7.300 1.00 32.43 H new ATOM 0 HH22 ARG A 96 3.871 4.494 8.048 1.00 32.43 H new ATOM 1380 N ALA A 97 5.603 5.153 -1.879 1.00 21.31 N ATOM 1381 CA ALA A 97 5.171 4.988 -3.258 1.00 65.42 C ATOM 1382 C ALA A 97 6.296 4.339 -4.058 1.00 33.21 C ATOM 1383 O ALA A 97 6.105 3.291 -4.672 1.00 70.21 O ATOM 1384 CB ALA A 97 4.855 6.354 -3.866 1.00 31.42 C ATOM 0 H ALA A 97 5.605 6.122 -1.560 1.00 21.31 H new ATOM 0 HA ALA A 97 4.280 4.361 -3.286 1.00 65.42 H new ATOM 0 HB1 ALA A 97 4.532 6.226 -4.899 1.00 31.42 H new ATOM 0 HB2 ALA A 97 4.060 6.832 -3.293 1.00 31.42 H new ATOM 0 HB3 ALA A 97 5.747 6.979 -3.840 1.00 31.42 H new ATOM 1390 N ARG A 98 7.480 4.960 -4.032 1.00 64.50 N ATOM 1391 CA ARG A 98 8.637 4.519 -4.803 1.00 72.31 C ATOM 1392 C ARG A 98 8.987 3.063 -4.535 1.00 42.22 C ATOM 1393 O ARG A 98 9.393 2.365 -5.466 1.00 23.42 O ATOM 1394 CB ARG A 98 9.818 5.470 -4.534 1.00 34.23 C ATOM 1395 CG ARG A 98 9.690 6.645 -5.503 1.00 51.41 C ATOM 1396 CD ARG A 98 10.745 7.745 -5.349 1.00 54.11 C ATOM 1397 NE ARG A 98 10.782 8.491 -6.613 1.00 11.44 N ATOM 1398 CZ ARG A 98 10.703 9.808 -6.806 1.00 3.15 C ATOM 1399 NH1 ARG A 98 10.996 10.674 -5.843 1.00 71.41 N ATOM 1400 NH2 ARG A 98 10.358 10.218 -8.016 1.00 51.04 N ATOM 0 H ARG A 98 7.659 5.791 -3.468 1.00 64.50 H new ATOM 0 HA ARG A 98 8.391 4.564 -5.864 1.00 72.31 H new ATOM 0 HB2 ARG A 98 9.801 5.820 -3.502 1.00 34.23 H new ATOM 0 HB3 ARG A 98 10.767 4.954 -4.680 1.00 34.23 H new ATOM 0 HG2 ARG A 98 9.738 6.260 -6.522 1.00 51.41 H new ATOM 0 HG3 ARG A 98 8.704 7.092 -5.377 1.00 51.41 H new ATOM 0 HD2 ARG A 98 10.494 8.406 -4.519 1.00 54.11 H new ATOM 0 HD3 ARG A 98 11.721 7.314 -5.128 1.00 54.11 H new ATOM 0 HE ARG A 98 10.881 7.926 -7.456 1.00 11.44 H new ATOM 0 HH11 ARG A 98 11.291 10.337 -4.926 1.00 71.41 H new ATOM 0 HH12 ARG A 98 10.926 11.676 -6.020 1.00 71.41 H new ATOM 0 HH21 ARG A 98 10.166 9.536 -8.750 1.00 51.04 H new ATOM 0 HH22 ARG A 98 10.284 11.216 -8.214 1.00 51.04 H new ATOM 1411 N LEU A 99 8.812 2.603 -3.296 1.00 50.41 N ATOM 1412 CA LEU A 99 9.004 1.218 -2.895 1.00 54.43 C ATOM 1413 C LEU A 99 8.042 0.315 -3.640 1.00 43.32 C ATOM 1414 O LEU A 99 8.474 -0.542 -4.400 1.00 25.55 O ATOM 1415 CB LEU A 99 8.825 1.107 -1.379 1.00 41.33 C ATOM 1416 CG LEU A 99 9.120 -0.286 -0.796 1.00 34.23 C ATOM 1417 CD1 LEU A 99 10.358 -0.957 -1.385 1.00 3.42 C ATOM 1418 CD2 LEU A 99 9.292 -0.118 0.715 1.00 25.23 C ATOM 0 H LEU A 99 8.524 3.205 -2.525 1.00 50.41 H new ATOM 0 HA LEU A 99 10.013 0.894 -3.150 1.00 54.43 H new ATOM 0 HB2 LEU A 99 9.478 1.834 -0.896 1.00 41.33 H new ATOM 0 HB3 LEU A 99 7.801 1.382 -1.127 1.00 41.33 H new ATOM 0 HG LEU A 99 8.287 -0.941 -1.050 1.00 34.23 H new ATOM 0 HD11 LEU A 99 10.497 -1.934 -0.922 1.00 3.42 H new ATOM 0 HD12 LEU A 99 10.228 -1.080 -2.460 1.00 3.42 H new ATOM 0 HD13 LEU A 99 11.234 -0.337 -1.194 1.00 3.42 H new ATOM 0 HD21 LEU A 99 9.503 -1.087 1.167 1.00 25.23 H new ATOM 0 HD22 LEU A 99 10.119 0.563 0.913 1.00 25.23 H new ATOM 0 HD23 LEU A 99 8.376 0.290 1.142 1.00 25.23 H new ATOM 1429 N MET A 100 6.745 0.540 -3.440 1.00 2.45 N ATOM 1430 CA MET A 100 5.692 -0.218 -4.117 1.00 43.30 C ATOM 1431 C MET A 100 5.928 -0.260 -5.638 1.00 32.43 C ATOM 1432 O MET A 100 5.844 -1.322 -6.246 1.00 74.23 O ATOM 1433 CB MET A 100 4.313 0.372 -3.820 1.00 74.52 C ATOM 1434 CG MET A 100 3.807 0.007 -2.432 1.00 11.01 C ATOM 1435 SD MET A 100 3.583 -1.777 -2.249 1.00 34.12 S ATOM 1436 CE MET A 100 3.010 -1.901 -0.561 1.00 25.55 C ATOM 0 H MET A 100 6.393 1.254 -2.803 1.00 2.45 H new ATOM 0 HA MET A 100 5.726 -1.237 -3.732 1.00 43.30 H new ATOM 0 HB2 MET A 100 4.359 1.457 -3.912 1.00 74.52 H new ATOM 0 HB3 MET A 100 3.602 0.018 -4.567 1.00 74.52 H new ATOM 0 HG2 MET A 100 4.513 0.364 -1.682 1.00 11.01 H new ATOM 0 HG3 MET A 100 2.860 0.514 -2.245 1.00 11.01 H new ATOM 0 HE1 MET A 100 2.631 -2.907 -0.378 1.00 25.55 H new ATOM 0 HE2 MET A 100 3.836 -1.695 0.120 1.00 25.55 H new ATOM 0 HE3 MET A 100 2.213 -1.177 -0.393 1.00 25.55 H new ATOM 1444 N LYS A 101 6.272 0.877 -6.252 1.00 54.14 N ATOM 1445 CA LYS A 101 6.573 0.970 -7.682 1.00 30.14 C ATOM 1446 C LYS A 101 7.682 -0.007 -8.059 1.00 11.11 C ATOM 1447 O LYS A 101 7.520 -0.842 -8.937 1.00 63.44 O ATOM 1448 CB LYS A 101 6.943 2.424 -8.025 1.00 23.54 C ATOM 1449 CG LYS A 101 6.796 2.748 -9.513 1.00 70.11 C ATOM 1450 CD LYS A 101 7.974 2.366 -10.396 1.00 54.42 C ATOM 1451 CE LYS A 101 7.835 3.042 -11.766 1.00 3.45 C ATOM 1452 NZ LYS A 101 9.148 3.343 -12.365 1.00 54.11 N ATOM 0 H LYS A 101 6.350 1.769 -5.763 1.00 54.14 H new ATOM 0 HA LYS A 101 5.695 0.693 -8.266 1.00 30.14 H new ATOM 0 HB2 LYS A 101 6.310 3.099 -7.449 1.00 23.54 H new ATOM 0 HB3 LYS A 101 7.972 2.612 -7.719 1.00 23.54 H new ATOM 0 HG2 LYS A 101 5.906 2.243 -9.889 1.00 70.11 H new ATOM 0 HG3 LYS A 101 6.622 3.819 -9.616 1.00 70.11 H new ATOM 0 HD2 LYS A 101 8.908 2.669 -9.923 1.00 54.42 H new ATOM 0 HD3 LYS A 101 8.014 1.283 -10.516 1.00 54.42 H new ATOM 0 HE2 LYS A 101 7.270 2.393 -12.436 1.00 3.45 H new ATOM 0 HE3 LYS A 101 7.264 3.964 -11.660 1.00 3.45 H new ATOM 0 HZ1 LYS A 101 9.011 3.799 -13.290 1.00 54.11 H new ATOM 0 HZ2 LYS A 101 9.677 3.982 -11.738 1.00 54.11 H new ATOM 0 HZ3 LYS A 101 9.683 2.460 -12.490 1.00 54.11 H new ATOM 1462 N LYS A 102 8.819 0.096 -7.379 1.00 5.42 N ATOM 1463 CA LYS A 102 9.962 -0.794 -7.585 1.00 11.42 C ATOM 1464 C LYS A 102 9.570 -2.262 -7.429 1.00 24.42 C ATOM 1465 O LYS A 102 10.060 -3.111 -8.172 1.00 50.43 O ATOM 1466 CB LYS A 102 11.084 -0.448 -6.602 1.00 25.23 C ATOM 1467 CG LYS A 102 12.456 -0.649 -7.245 1.00 3.04 C ATOM 1468 CD LYS A 102 13.580 -0.097 -6.359 1.00 73.34 C ATOM 1469 CE LYS A 102 14.932 -0.370 -7.022 1.00 5.32 C ATOM 1470 NZ LYS A 102 15.222 0.591 -8.104 1.00 70.21 N ATOM 0 H LYS A 102 8.977 0.805 -6.663 1.00 5.42 H new ATOM 0 HA LYS A 102 10.314 -0.648 -8.606 1.00 11.42 H new ATOM 0 HB2 LYS A 102 10.980 0.586 -6.275 1.00 25.23 H new ATOM 0 HB3 LYS A 102 11.000 -1.073 -5.713 1.00 25.23 H new ATOM 0 HG2 LYS A 102 12.622 -1.711 -7.425 1.00 3.04 H new ATOM 0 HG3 LYS A 102 12.480 -0.153 -8.216 1.00 3.04 H new ATOM 0 HD2 LYS A 102 13.446 0.974 -6.209 1.00 73.34 H new ATOM 0 HD3 LYS A 102 13.545 -0.564 -5.375 1.00 73.34 H new ATOM 0 HE2 LYS A 102 15.721 -0.319 -6.271 1.00 5.32 H new ATOM 0 HE3 LYS A 102 14.940 -1.383 -7.425 1.00 5.32 H new ATOM 0 HZ1 LYS A 102 16.147 0.370 -8.526 1.00 70.21 H new ATOM 0 HZ2 LYS A 102 14.484 0.525 -8.834 1.00 70.21 H new ATOM 0 HZ3 LYS A 102 15.240 1.556 -7.716 1.00 70.21 H new ATOM 1480 N ILE A 103 8.739 -2.586 -6.440 1.00 41.02 N ATOM 1481 CA ILE A 103 8.268 -3.938 -6.174 1.00 13.15 C ATOM 1482 C ILE A 103 7.544 -4.468 -7.419 1.00 22.33 C ATOM 1483 O ILE A 103 7.839 -5.581 -7.857 1.00 1.12 O ATOM 1484 CB ILE A 103 7.453 -3.945 -4.853 1.00 30.54 C ATOM 1485 CG1 ILE A 103 8.421 -3.776 -3.659 1.00 13.05 C ATOM 1486 CG2 ILE A 103 6.599 -5.206 -4.650 1.00 52.22 C ATOM 1487 CD1 ILE A 103 7.726 -3.462 -2.334 1.00 4.41 C ATOM 0 H ILE A 103 8.367 -1.896 -5.787 1.00 41.02 H new ATOM 0 HA ILE A 103 9.084 -4.639 -6.001 1.00 13.15 H new ATOM 0 HB ILE A 103 6.752 -3.113 -4.916 1.00 30.54 H new ATOM 0 HG12 ILE A 103 9.003 -4.690 -3.544 1.00 13.05 H new ATOM 0 HG13 ILE A 103 9.126 -2.976 -3.886 1.00 13.05 H new ATOM 0 HG21 ILE A 103 6.061 -5.133 -3.705 1.00 52.22 H new ATOM 0 HG22 ILE A 103 5.884 -5.297 -5.468 1.00 52.22 H new ATOM 0 HG23 ILE A 103 7.245 -6.084 -4.633 1.00 52.22 H new ATOM 0 HD11 ILE A 103 8.473 -3.358 -1.547 1.00 4.41 H new ATOM 0 HD12 ILE A 103 7.167 -2.531 -2.428 1.00 4.41 H new ATOM 0 HD13 ILE A 103 7.042 -4.272 -2.081 1.00 4.41 H new ATOM 1498 N ALA A 104 6.656 -3.676 -8.028 1.00 42.41 N ATOM 1499 CA ALA A 104 6.003 -4.037 -9.283 1.00 31.43 C ATOM 1500 C ALA A 104 7.003 -4.193 -10.438 1.00 33.11 C ATOM 1501 O ALA A 104 6.751 -4.972 -11.359 1.00 63.14 O ATOM 1502 CB ALA A 104 4.959 -2.970 -9.636 1.00 32.25 C ATOM 0 H ALA A 104 6.372 -2.767 -7.662 1.00 42.41 H new ATOM 0 HA ALA A 104 5.522 -5.005 -9.142 1.00 31.43 H new ATOM 0 HB1 ALA A 104 4.469 -3.236 -10.573 1.00 32.25 H new ATOM 0 HB2 ALA A 104 4.215 -2.912 -8.841 1.00 32.25 H new ATOM 0 HB3 ALA A 104 5.450 -2.003 -9.745 1.00 32.25 H new ATOM 1508 N ASP A 105 8.137 -3.493 -10.395 1.00 44.02 N ATOM 1509 CA ASP A 105 9.151 -3.482 -11.452 1.00 70.23 C ATOM 1510 C ASP A 105 9.841 -4.846 -11.586 1.00 51.33 C ATOM 1511 O ASP A 105 10.326 -5.207 -12.657 1.00 53.43 O ATOM 1512 CB ASP A 105 10.202 -2.392 -11.160 1.00 10.23 C ATOM 1513 CG ASP A 105 10.670 -1.688 -12.433 1.00 41.11 C ATOM 1514 OD1 ASP A 105 11.426 -2.290 -13.227 1.00 70.50 O ATOM 1515 OD2 ASP A 105 10.321 -0.497 -12.609 1.00 42.10 O ATOM 0 H ASP A 105 8.383 -2.901 -9.602 1.00 44.02 H new ATOM 0 HA ASP A 105 8.649 -3.265 -12.395 1.00 70.23 H new ATOM 0 HB2 ASP A 105 9.780 -1.657 -10.474 1.00 10.23 H new ATOM 0 HB3 ASP A 105 11.059 -2.841 -10.659 1.00 10.23 H new ATOM 1519 N LEU A 106 9.890 -5.629 -10.503 1.00 25.21 N ATOM 1520 CA LEU A 106 10.531 -6.948 -10.458 1.00 1.11 C ATOM 1521 C LEU A 106 9.513 -8.083 -10.477 1.00 53.21 C ATOM 1522 O LEU A 106 9.912 -9.239 -10.305 1.00 74.44 O ATOM 1523 CB LEU A 106 11.417 -7.064 -9.206 1.00 73.42 C ATOM 1524 CG LEU A 106 12.587 -6.071 -9.124 1.00 52.41 C ATOM 1525 CD1 LEU A 106 13.195 -6.099 -7.721 1.00 51.44 C ATOM 1526 CD2 LEU A 106 13.688 -6.408 -10.129 1.00 52.32 C ATOM 0 H LEU A 106 9.475 -5.357 -9.612 1.00 25.21 H new ATOM 0 HA LEU A 106 11.145 -7.040 -11.354 1.00 1.11 H new ATOM 0 HB2 LEU A 106 10.789 -6.931 -8.325 1.00 73.42 H new ATOM 0 HB3 LEU A 106 11.819 -8.076 -9.160 1.00 73.42 H new ATOM 0 HG LEU A 106 12.189 -5.083 -9.355 1.00 52.41 H new ATOM 0 HD11 LEU A 106 14.024 -5.393 -7.669 1.00 51.44 H new ATOM 0 HD12 LEU A 106 12.436 -5.821 -6.990 1.00 51.44 H new ATOM 0 HD13 LEU A 106 13.559 -7.103 -7.502 1.00 51.44 H new ATOM 0 HD21 LEU A 106 14.497 -5.683 -10.039 1.00 52.32 H new ATOM 0 HD22 LEU A 106 14.073 -7.407 -9.926 1.00 52.32 H new ATOM 0 HD23 LEU A 106 13.281 -6.374 -11.140 1.00 52.32 H new ATOM 1537 N TRP A 107 8.228 -7.776 -10.652 1.00 14.10 N ATOM 1538 CA TRP A 107 7.190 -8.791 -10.655 1.00 12.13 C ATOM 1539 C TRP A 107 7.359 -9.698 -11.867 1.00 33.14 C ATOM 1540 O TRP A 107 7.136 -10.920 -11.742 1.00 30.10 O ATOM 1541 CB TRP A 107 5.805 -8.137 -10.594 1.00 30.11 C ATOM 1542 CG TRP A 107 4.781 -8.875 -9.794 1.00 32.40 C ATOM 1543 CD1 TRP A 107 3.856 -9.737 -10.272 1.00 43.22 C ATOM 1544 CD2 TRP A 107 4.471 -8.710 -8.380 1.00 62.31 C ATOM 1545 NE1 TRP A 107 3.068 -10.193 -9.239 1.00 72.44 N ATOM 1546 CE2 TRP A 107 3.359 -9.542 -8.062 1.00 4.12 C ATOM 1547 CE3 TRP A 107 4.963 -7.870 -7.360 1.00 65.11 C ATOM 1548 CZ2 TRP A 107 2.748 -9.523 -6.802 1.00 65.45 C ATOM 1549 CZ3 TRP A 107 4.351 -7.843 -6.095 1.00 30.32 C ATOM 1550 CH2 TRP A 107 3.239 -8.657 -5.816 1.00 5.23 C ATOM 0 H TRP A 107 7.886 -6.826 -10.794 1.00 14.10 H new ATOM 0 HA TRP A 107 7.281 -9.416 -9.767 1.00 12.13 H new ATOM 0 HB2 TRP A 107 5.913 -7.135 -10.178 1.00 30.11 H new ATOM 0 HB3 TRP A 107 5.432 -8.021 -11.612 1.00 30.11 H new ATOM 0 HD1 TRP A 107 3.751 -10.025 -11.308 1.00 43.22 H new ATOM 0 HE1 TRP A 107 2.359 -10.920 -9.334 1.00 72.44 H new ATOM 0 HE3 TRP A 107 5.819 -7.241 -7.553 1.00 65.11 H new ATOM 0 HZ2 TRP A 107 1.908 -10.169 -6.593 1.00 65.45 H new ATOM 0 HZ3 TRP A 107 4.740 -7.189 -5.328 1.00 30.32 H new ATOM 0 HH2 TRP A 107 2.766 -8.615 -4.846 1.00 5.23 H new