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 69 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 72 MET CE :methyl 144:sc= -0.118 (180deg=-2.12!) USER MOD Set 2.1: A 61 SER OG : rot 180:sc= 0.0172 USER MOD Set 2.2: A 64 LYS NZ :NH3+ 173:sc= 0.0167 (180deg=0) USER MOD Set 3.1: A 36 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.21) USER MOD Set 3.2: A 43 THR OG1 : rot 180:sc= 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= -1.33! K(o=-1.3!,f=-0.022) USER MOD Single : A 50 GLN : amide:sc= 0.951 K(o=0.95,f=-0.18) USER MOD Single : A 54 ASN : amide:sc= -0.0239 X(o=-0.024,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.0682 X(o=-0.068,f=0) USER MOD Single : A 62 MET CE :methyl -160:sc= -0.163 (180deg=-0.743) USER MOD Single : A 65 LYS NZ :NH3+ 159:sc= -0.041 (180deg=-0.31) USER MOD Single : A 66 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.22) USER MOD Single : A 68 THR OG1 : rot 107:sc= 1.08 USER MOD Single : A 74 THR OG1 : rot -90:sc= 1.22 USER MOD Single : A 77 GLN : amide:sc= -0.268 K(o=-0.27,f=-1.5) USER MOD Single : A 80 TYR OH : rot 168:sc= 0.555 USER MOD Single : A 82 GLN : amide:sc= 0.482 X(o=0.48,f=-0.0011) USER MOD Single : A 84 GLN : amide:sc= -0.652 K(o=-0.65,f=-3.8!) USER MOD Single : A 85 GLN : amide:sc= 0.694 K(o=0.69,f=-0.27) USER MOD Single : A 87 ASN : amide:sc= 0.68 K(o=0.68,f=-0.0024) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 ASN : amide:sc= -0.618 K(o=-0.62,f=-4.1!) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0915 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -146:sc= 0 (180deg=-1.93) 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 -10.420 8.816 2.272 1.00 53.15 N ATOM 280 CA VAL A 21 -10.606 7.412 2.601 1.00 22.54 C ATOM 281 C VAL A 21 -9.306 6.683 2.253 1.00 60.54 C ATOM 282 O VAL A 21 -8.603 7.085 1.323 1.00 75.11 O ATOM 283 CB VAL A 21 -11.882 6.907 1.899 1.00 74.10 C ATOM 284 CG1 VAL A 21 -11.837 7.092 0.379 1.00 51.24 C ATOM 285 CG2 VAL A 21 -12.202 5.456 2.257 1.00 2.02 C ATOM 0 HA VAL A 21 -10.780 7.224 3.660 1.00 22.54 H new ATOM 0 HB VAL A 21 -12.691 7.532 2.277 1.00 74.10 H new ATOM 0 HG11 VAL A 21 -12.762 6.718 -0.061 1.00 51.24 H new ATOM 0 HG12 VAL A 21 -11.725 8.151 0.144 1.00 51.24 H new ATOM 0 HG13 VAL A 21 -10.992 6.539 -0.030 1.00 51.24 H new ATOM 0 HG21 VAL A 21 -13.109 5.145 1.739 1.00 2.02 H new ATOM 0 HG22 VAL A 21 -11.373 4.815 1.955 1.00 2.02 H new ATOM 0 HG23 VAL A 21 -12.352 5.371 3.333 1.00 2.02 H new ATOM 295 N LEU A 22 -8.940 5.656 3.028 1.00 51.44 N ATOM 296 CA LEU A 22 -7.720 4.901 2.759 1.00 54.13 C ATOM 297 C LEU A 22 -7.986 3.852 1.674 1.00 0.13 C ATOM 298 O LEU A 22 -9.120 3.378 1.545 1.00 40.14 O ATOM 299 CB LEU A 22 -7.213 4.195 4.029 1.00 31.43 C ATOM 300 CG LEU A 22 -6.430 5.091 5.003 1.00 23.11 C ATOM 301 CD1 LEU A 22 -6.097 4.282 6.262 1.00 11.23 C ATOM 302 CD2 LEU A 22 -5.107 5.597 4.421 1.00 64.31 C ATOM 0 H LEU A 22 -9.469 5.334 3.839 1.00 51.44 H new ATOM 0 HA LEU A 22 -6.958 5.603 2.421 1.00 54.13 H new ATOM 0 HB2 LEU A 22 -8.068 3.771 4.556 1.00 31.43 H new ATOM 0 HB3 LEU A 22 -6.575 3.362 3.733 1.00 31.43 H new ATOM 0 HG LEU A 22 -7.062 5.953 5.216 1.00 23.11 H new ATOM 0 HD11 LEU A 22 -5.541 4.908 6.960 1.00 11.23 H new ATOM 0 HD12 LEU A 22 -7.021 3.945 6.733 1.00 11.23 H new ATOM 0 HD13 LEU A 22 -5.492 3.417 5.989 1.00 11.23 H new ATOM 0 HD21 LEU A 22 -4.602 6.223 5.156 1.00 64.31 H new ATOM 0 HD22 LEU A 22 -4.471 4.748 4.170 1.00 64.31 H new ATOM 0 HD23 LEU A 22 -5.305 6.181 3.522 1.00 64.31 H new ATOM 313 N PRO A 23 -6.942 3.426 0.942 1.00 12.14 N ATOM 314 CA PRO A 23 -7.022 2.286 0.042 1.00 0.32 C ATOM 315 C PRO A 23 -7.266 0.973 0.811 1.00 72.53 C ATOM 316 O PRO A 23 -7.077 0.919 2.035 1.00 60.12 O ATOM 317 CB PRO A 23 -5.702 2.278 -0.737 1.00 12.32 C ATOM 318 CG PRO A 23 -4.737 3.074 0.127 1.00 1.23 C ATOM 319 CD PRO A 23 -5.633 4.052 0.870 1.00 63.21 C ATOM 0 HA PRO A 23 -7.869 2.368 -0.639 1.00 0.32 H new ATOM 0 HB2 PRO A 23 -5.343 1.261 -0.897 1.00 12.32 H new ATOM 0 HB3 PRO A 23 -5.820 2.733 -1.720 1.00 12.32 H new ATOM 0 HG2 PRO A 23 -4.192 2.429 0.816 1.00 1.23 H new ATOM 0 HG3 PRO A 23 -3.994 3.593 -0.478 1.00 1.23 H new ATOM 0 HD2 PRO A 23 -5.244 4.256 1.867 1.00 63.21 H new ATOM 0 HD3 PRO A 23 -5.686 5.007 0.347 1.00 63.21 H new ATOM 324 N PRO A 24 -7.699 -0.091 0.110 1.00 1.24 N ATOM 325 CA PRO A 24 -8.021 -1.371 0.725 1.00 75.10 C ATOM 326 C PRO A 24 -6.771 -2.190 1.087 1.00 73.43 C ATOM 327 O PRO A 24 -5.641 -1.848 0.717 1.00 52.30 O ATOM 328 CB PRO A 24 -8.932 -2.070 -0.292 1.00 42.10 C ATOM 329 CG PRO A 24 -8.543 -1.481 -1.645 1.00 22.25 C ATOM 330 CD PRO A 24 -8.032 -0.087 -1.310 1.00 52.21 C ATOM 0 HA PRO A 24 -8.519 -1.247 1.687 1.00 75.10 H new ATOM 0 HB2 PRO A 24 -8.786 -3.150 -0.275 1.00 42.10 H new ATOM 0 HB3 PRO A 24 -9.983 -1.887 -0.070 1.00 42.10 H new ATOM 0 HG2 PRO A 24 -7.775 -2.080 -2.135 1.00 22.25 H new ATOM 0 HG3 PRO A 24 -9.396 -1.441 -2.322 1.00 22.25 H new ATOM 0 HD2 PRO A 24 -7.157 0.159 -1.912 1.00 52.21 H new ATOM 0 HD3 PRO A 24 -8.790 0.665 -1.527 1.00 52.21 H new ATOM 335 N THR A 25 -6.982 -3.299 1.798 1.00 60.33 N ATOM 336 CA THR A 25 -5.934 -4.146 2.366 1.00 62.44 C ATOM 337 C THR A 25 -6.343 -5.628 2.263 1.00 11.33 C ATOM 338 O THR A 25 -7.546 -5.921 2.190 1.00 74.54 O ATOM 339 CB THR A 25 -5.647 -3.719 3.830 1.00 53.22 C ATOM 340 OG1 THR A 25 -6.611 -2.816 4.358 1.00 72.42 O ATOM 341 CG2 THR A 25 -4.294 -3.015 3.924 1.00 1.44 C ATOM 0 H THR A 25 -7.920 -3.643 2.001 1.00 60.33 H new ATOM 0 HA THR A 25 -5.011 -4.022 1.800 1.00 62.44 H new ATOM 0 HB THR A 25 -5.673 -4.644 4.406 1.00 53.22 H new ATOM 0 HG1 THR A 25 -6.374 -2.588 5.281 1.00 72.42 H new ATOM 0 HG21 THR A 25 -4.107 -2.722 4.957 1.00 1.44 H new ATOM 0 HG22 THR A 25 -3.507 -3.692 3.591 1.00 1.44 H new ATOM 0 HG23 THR A 25 -4.301 -2.128 3.291 1.00 1.44 H new ATOM 349 N PRO A 26 -5.387 -6.580 2.263 1.00 43.12 N ATOM 350 CA PRO A 26 -5.707 -7.993 2.140 1.00 52.40 C ATOM 351 C PRO A 26 -6.328 -8.475 3.447 1.00 60.33 C ATOM 352 O PRO A 26 -5.903 -8.067 4.528 1.00 21.22 O ATOM 353 CB PRO A 26 -4.387 -8.709 1.852 1.00 44.44 C ATOM 354 CG PRO A 26 -3.326 -7.793 2.456 1.00 55.30 C ATOM 355 CD PRO A 26 -3.958 -6.398 2.479 1.00 3.13 C ATOM 0 HA PRO A 26 -6.423 -8.192 1.342 1.00 52.40 H new ATOM 0 HB2 PRO A 26 -4.364 -9.700 2.306 1.00 44.44 H new ATOM 0 HB3 PRO A 26 -4.233 -8.846 0.782 1.00 44.44 H new ATOM 0 HG2 PRO A 26 -3.053 -8.117 3.460 1.00 55.30 H new ATOM 0 HG3 PRO A 26 -2.414 -7.801 1.859 1.00 55.30 H new ATOM 0 HD2 PRO A 26 -3.771 -5.904 3.433 1.00 3.13 H new ATOM 0 HD3 PRO A 26 -3.527 -5.765 1.703 1.00 3.13 H new ATOM 360 N LYS A 27 -7.286 -9.397 3.351 1.00 31.54 N ATOM 361 CA LYS A 27 -8.055 -9.935 4.476 1.00 73.40 C ATOM 362 C LYS A 27 -7.231 -10.914 5.313 1.00 41.21 C ATOM 363 O LYS A 27 -7.572 -12.089 5.468 1.00 51.24 O ATOM 364 CB LYS A 27 -9.375 -10.542 3.977 1.00 42.34 C ATOM 365 CG LYS A 27 -9.165 -11.615 2.897 1.00 52.31 C ATOM 366 CD LYS A 27 -10.428 -12.461 2.753 1.00 52.00 C ATOM 367 CE LYS A 27 -10.223 -13.527 1.678 1.00 4.45 C ATOM 368 NZ LYS A 27 -11.286 -14.550 1.715 1.00 72.33 N ATOM 0 H LYS A 27 -7.558 -9.805 2.457 1.00 31.54 H new ATOM 0 HA LYS A 27 -8.306 -9.113 5.147 1.00 73.40 H new ATOM 0 HB2 LYS A 27 -9.910 -10.981 4.820 1.00 42.34 H new ATOM 0 HB3 LYS A 27 -10.006 -9.749 3.577 1.00 42.34 H new ATOM 0 HG2 LYS A 27 -8.923 -11.143 1.945 1.00 52.31 H new ATOM 0 HG3 LYS A 27 -8.320 -12.250 3.162 1.00 52.31 H new ATOM 0 HD2 LYS A 27 -10.669 -12.934 3.705 1.00 52.00 H new ATOM 0 HD3 LYS A 27 -11.273 -11.825 2.490 1.00 52.00 H new ATOM 0 HE2 LYS A 27 -10.206 -13.055 0.696 1.00 4.45 H new ATOM 0 HE3 LYS A 27 -9.253 -14.004 1.819 1.00 4.45 H new ATOM 0 HZ1 LYS A 27 -11.114 -15.257 0.972 1.00 72.33 H new ATOM 0 HZ2 LYS A 27 -11.286 -15.018 2.644 1.00 72.33 H new ATOM 0 HZ3 LYS A 27 -12.209 -14.098 1.556 1.00 72.33 H new ATOM 378 N ASN A 28 -6.102 -10.442 5.825 1.00 62.51 N ATOM 379 CA ASN A 28 -5.155 -11.213 6.585 1.00 11.32 C ATOM 380 C ASN A 28 -4.799 -10.403 7.817 1.00 1.32 C ATOM 381 O ASN A 28 -4.857 -10.956 8.924 1.00 70.50 O ATOM 382 CB ASN A 28 -3.923 -11.563 5.732 1.00 54.22 C ATOM 383 CG ASN A 28 -4.314 -12.552 4.648 1.00 53.42 C ATOM 384 OD1 ASN A 28 -4.671 -13.689 4.937 1.00 54.01 O ATOM 385 ND2 ASN A 28 -4.340 -12.137 3.392 1.00 0.22 N ATOM 0 H ASN A 28 -5.819 -9.469 5.711 1.00 62.51 H new ATOM 0 HA ASN A 28 -5.582 -12.168 6.891 1.00 11.32 H new ATOM 0 HB2 ASN A 28 -3.512 -10.659 5.282 1.00 54.22 H new ATOM 0 HB3 ASN A 28 -3.142 -11.989 6.362 1.00 54.22 H new ATOM 0 HD21 ASN A 28 -4.659 -12.765 2.654 1.00 0.22 H new ATOM 0 HD22 ASN A 28 -4.041 -11.189 3.162 1.00 0.22 H new ATOM 391 N ILE A 29 -4.439 -9.131 7.652 1.00 73.30 N ATOM 392 CA ILE A 29 -3.905 -8.249 8.686 1.00 71.54 C ATOM 393 C ILE A 29 -4.262 -6.792 8.339 1.00 5.01 C ATOM 394 O ILE A 29 -4.512 -6.508 7.164 1.00 21.34 O ATOM 395 CB ILE A 29 -2.367 -8.419 8.783 1.00 34.51 C ATOM 396 CG1 ILE A 29 -1.556 -7.746 7.661 1.00 65.32 C ATOM 397 CG2 ILE A 29 -1.920 -9.875 8.888 1.00 52.02 C ATOM 398 CD1 ILE A 29 -1.726 -8.307 6.249 1.00 25.11 C ATOM 0 H ILE A 29 -4.516 -8.665 6.748 1.00 73.30 H new ATOM 0 HA ILE A 29 -4.342 -8.507 9.651 1.00 71.54 H new ATOM 0 HB ILE A 29 -2.145 -7.895 9.713 1.00 34.51 H new ATOM 0 HG12 ILE A 29 -1.820 -6.689 7.639 1.00 65.32 H new ATOM 0 HG13 ILE A 29 -0.500 -7.805 7.924 1.00 65.32 H new ATOM 0 HG21 ILE A 29 -0.833 -9.918 8.952 1.00 52.02 H new ATOM 0 HG22 ILE A 29 -2.354 -10.326 9.780 1.00 52.02 H new ATOM 0 HG23 ILE A 29 -2.253 -10.422 8.006 1.00 52.02 H new ATOM 0 HD11 ILE A 29 -1.101 -7.744 5.556 1.00 25.11 H new ATOM 0 HD12 ILE A 29 -1.429 -9.356 6.236 1.00 25.11 H new ATOM 0 HD13 ILE A 29 -2.770 -8.222 5.947 1.00 25.11 H new ATOM 409 N PRO A 30 -4.216 -5.850 9.296 1.00 71.31 N ATOM 410 CA PRO A 30 -4.437 -4.433 9.024 1.00 43.21 C ATOM 411 C PRO A 30 -3.180 -3.746 8.462 1.00 45.25 C ATOM 412 O PRO A 30 -2.075 -4.264 8.606 1.00 62.34 O ATOM 413 CB PRO A 30 -4.818 -3.845 10.383 1.00 43.04 C ATOM 414 CG PRO A 30 -4.060 -4.712 11.387 1.00 42.30 C ATOM 415 CD PRO A 30 -3.992 -6.081 10.716 1.00 33.51 C ATOM 0 HA PRO A 30 -5.205 -4.284 8.265 1.00 43.21 H new ATOM 0 HB2 PRO A 30 -4.527 -2.797 10.460 1.00 43.04 H new ATOM 0 HB3 PRO A 30 -5.894 -3.890 10.550 1.00 43.04 H new ATOM 0 HG2 PRO A 30 -3.064 -4.315 11.585 1.00 42.30 H new ATOM 0 HG3 PRO A 30 -4.580 -4.762 12.344 1.00 42.30 H new ATOM 0 HD2 PRO A 30 -3.023 -6.550 10.886 1.00 33.51 H new ATOM 0 HD3 PRO A 30 -4.747 -6.753 11.125 1.00 33.51 H new ATOM 420 N LEU A 31 -3.318 -2.529 7.921 1.00 72.42 N ATOM 421 CA LEU A 31 -2.260 -1.660 7.379 1.00 34.40 C ATOM 422 C LEU A 31 -0.949 -1.673 8.188 1.00 13.20 C ATOM 423 O LEU A 31 0.082 -2.039 7.619 1.00 71.51 O ATOM 424 CB LEU A 31 -2.834 -0.247 7.133 1.00 25.24 C ATOM 425 CG LEU A 31 -1.900 0.827 6.527 1.00 44.12 C ATOM 426 CD1 LEU A 31 -0.990 1.526 7.545 1.00 2.00 C ATOM 427 CD2 LEU A 31 -1.069 0.320 5.342 1.00 21.32 C ATOM 0 H LEU A 31 -4.237 -2.093 7.844 1.00 72.42 H new ATOM 0 HA LEU A 31 -1.948 -2.073 6.420 1.00 34.40 H new ATOM 0 HB2 LEU A 31 -3.696 -0.348 6.474 1.00 25.24 H new ATOM 0 HB3 LEU A 31 -3.204 0.133 8.086 1.00 25.24 H new ATOM 0 HG LEU A 31 -2.599 1.576 6.155 1.00 44.12 H new ATOM 0 HD11 LEU A 31 -0.370 2.262 7.034 1.00 2.00 H new ATOM 0 HD12 LEU A 31 -1.601 2.025 8.297 1.00 2.00 H new ATOM 0 HD13 LEU A 31 -0.351 0.787 8.029 1.00 2.00 H new ATOM 0 HD21 LEU A 31 -0.438 1.127 4.968 1.00 21.32 H new ATOM 0 HD22 LEU A 31 -0.442 -0.511 5.666 1.00 21.32 H new ATOM 0 HD23 LEU A 31 -1.735 -0.017 4.548 1.00 21.32 H new ATOM 438 N PRO A 32 -0.921 -1.336 9.493 1.00 32.13 N ATOM 439 CA PRO A 32 0.321 -1.308 10.267 1.00 14.00 C ATOM 440 C PRO A 32 0.927 -2.700 10.535 1.00 65.25 C ATOM 441 O PRO A 32 1.967 -2.791 11.188 1.00 62.15 O ATOM 442 CB PRO A 32 -0.025 -0.546 11.550 1.00 44.02 C ATOM 443 CG PRO A 32 -1.499 -0.874 11.753 1.00 1.04 C ATOM 444 CD PRO A 32 -2.019 -0.852 10.319 1.00 74.52 C ATOM 0 HA PRO A 32 1.114 -0.814 9.705 1.00 14.00 H new ATOM 0 HB2 PRO A 32 0.582 -0.877 12.393 1.00 44.02 H new ATOM 0 HB3 PRO A 32 0.139 0.526 11.440 1.00 44.02 H new ATOM 0 HG2 PRO A 32 -1.641 -1.846 12.225 1.00 1.04 H new ATOM 0 HG3 PRO A 32 -2.000 -0.138 12.382 1.00 1.04 H new ATOM 0 HD2 PRO A 32 -2.899 -1.487 10.212 1.00 74.52 H new ATOM 0 HD3 PRO A 32 -2.315 0.155 10.025 1.00 74.52 H new ATOM 449 N ALA A 33 0.336 -3.783 10.023 1.00 21.33 N ATOM 450 CA ALA A 33 0.966 -5.093 9.903 1.00 10.44 C ATOM 451 C ALA A 33 1.287 -5.393 8.439 1.00 61.11 C ATOM 452 O ALA A 33 2.373 -5.895 8.141 1.00 42.11 O ATOM 453 CB ALA A 33 0.047 -6.138 10.525 1.00 2.14 C ATOM 0 H ALA A 33 -0.621 -3.768 9.672 1.00 21.33 H new ATOM 0 HA ALA A 33 1.914 -5.112 10.440 1.00 10.44 H new ATOM 0 HB1 ALA A 33 0.507 -7.123 10.442 1.00 2.14 H new ATOM 0 HB2 ALA A 33 -0.115 -5.901 11.577 1.00 2.14 H new ATOM 0 HB3 ALA A 33 -0.909 -6.139 10.002 1.00 2.14 H new ATOM 459 N PHE A 34 0.386 -5.027 7.523 1.00 52.44 N ATOM 460 CA PHE A 34 0.504 -5.246 6.088 1.00 44.15 C ATOM 461 C PHE A 34 1.720 -4.549 5.473 1.00 62.41 C ATOM 462 O PHE A 34 2.144 -4.918 4.388 1.00 1.40 O ATOM 463 CB PHE A 34 -0.782 -4.809 5.365 1.00 21.51 C ATOM 464 CG PHE A 34 -0.731 -5.003 3.859 1.00 55.21 C ATOM 465 CD1 PHE A 34 -0.340 -6.243 3.310 1.00 42.14 C ATOM 466 CD2 PHE A 34 -0.970 -3.908 3.004 1.00 0.41 C ATOM 467 CE1 PHE A 34 -0.133 -6.356 1.925 1.00 54.32 C ATOM 468 CE2 PHE A 34 -0.845 -4.050 1.617 1.00 43.14 C ATOM 469 CZ PHE A 34 -0.378 -5.259 1.081 1.00 23.20 C ATOM 0 H PHE A 34 -0.480 -4.551 7.777 1.00 52.44 H new ATOM 0 HA PHE A 34 0.651 -6.317 5.951 1.00 44.15 H new ATOM 0 HB2 PHE A 34 -1.624 -5.373 5.767 1.00 21.51 H new ATOM 0 HB3 PHE A 34 -0.970 -3.757 5.581 1.00 21.51 H new ATOM 0 HD1 PHE A 34 -0.201 -7.101 3.951 1.00 42.14 H new ATOM 0 HD2 PHE A 34 -1.252 -2.953 3.422 1.00 0.41 H new ATOM 0 HE1 PHE A 34 0.216 -7.289 1.507 1.00 54.32 H new ATOM 0 HE2 PHE A 34 -1.107 -3.232 0.962 1.00 43.14 H new ATOM 0 HZ PHE A 34 -0.206 -5.347 0.018 1.00 23.20 H new ATOM 478 N GLY A 35 2.314 -3.580 6.162 1.00 60.54 N ATOM 479 CA GLY A 35 3.577 -2.984 5.771 1.00 61.55 C ATOM 480 C GLY A 35 4.718 -3.552 6.603 1.00 71.11 C ATOM 481 O GLY A 35 5.631 -4.191 6.082 1.00 55.21 O ATOM 0 H GLY A 35 1.923 -3.185 7.017 1.00 60.54 H new ATOM 0 HA2 GLY A 35 3.762 -3.172 4.713 1.00 61.55 H new ATOM 0 HA3 GLY A 35 3.530 -1.903 5.899 1.00 61.55 H new ATOM 485 N GLN A 36 4.664 -3.294 7.910 1.00 33.24 N ATOM 486 CA GLN A 36 5.774 -3.424 8.855 1.00 22.30 C ATOM 487 C GLN A 36 6.302 -4.861 8.963 1.00 72.54 C ATOM 488 O GLN A 36 7.458 -5.066 9.334 1.00 51.45 O ATOM 489 CB GLN A 36 5.360 -2.866 10.238 1.00 5.40 C ATOM 490 CG GLN A 36 4.733 -1.461 10.158 1.00 62.43 C ATOM 491 CD GLN A 36 4.257 -0.881 11.488 1.00 22.53 C ATOM 492 OE1 GLN A 36 4.666 -1.261 12.589 1.00 50.34 O ATOM 493 NE2 GLN A 36 3.382 0.110 11.398 1.00 10.01 N ATOM 0 H GLN A 36 3.806 -2.974 8.359 1.00 33.24 H new ATOM 0 HA GLN A 36 6.603 -2.832 8.468 1.00 22.30 H new ATOM 0 HB2 GLN A 36 4.648 -3.549 10.701 1.00 5.40 H new ATOM 0 HB3 GLN A 36 6.236 -2.831 10.886 1.00 5.40 H new ATOM 0 HG2 GLN A 36 5.464 -0.779 9.724 1.00 62.43 H new ATOM 0 HG3 GLN A 36 3.886 -1.498 9.473 1.00 62.43 H new ATOM 0 HE21 GLN A 36 3.051 0.416 10.483 1.00 10.01 H new ATOM 0 HE22 GLN A 36 3.040 0.567 12.243 1.00 10.01 H new ATOM 500 N ARG A 37 5.501 -5.875 8.612 1.00 33.31 N ATOM 501 CA ARG A 37 5.907 -7.283 8.695 1.00 64.52 C ATOM 502 C ARG A 37 5.955 -7.956 7.321 1.00 1.42 C ATOM 503 O ARG A 37 6.108 -9.171 7.240 1.00 24.51 O ATOM 504 CB ARG A 37 5.067 -8.006 9.768 1.00 63.51 C ATOM 505 CG ARG A 37 5.367 -7.350 11.128 1.00 2.02 C ATOM 506 CD ARG A 37 4.972 -8.150 12.373 1.00 71.23 C ATOM 507 NE ARG A 37 5.831 -7.740 13.497 1.00 5.32 N ATOM 508 CZ ARG A 37 5.798 -6.574 14.152 1.00 1.32 C ATOM 509 NH1 ARG A 37 4.715 -5.806 14.097 1.00 33.13 N ATOM 510 NH2 ARG A 37 6.873 -6.183 14.829 1.00 21.54 N ATOM 0 H ARG A 37 4.552 -5.742 8.262 1.00 33.31 H new ATOM 0 HA ARG A 37 6.941 -7.350 9.034 1.00 64.52 H new ATOM 0 HB2 ARG A 37 4.005 -7.931 9.535 1.00 63.51 H new ATOM 0 HB3 ARG A 37 5.314 -9.067 9.794 1.00 63.51 H new ATOM 0 HG2 ARG A 37 6.436 -7.144 11.179 1.00 2.02 H new ATOM 0 HG3 ARG A 37 4.855 -6.388 11.164 1.00 2.02 H new ATOM 0 HD2 ARG A 37 3.924 -7.975 12.616 1.00 71.23 H new ATOM 0 HD3 ARG A 37 5.082 -9.218 12.185 1.00 71.23 H new ATOM 0 HE ARG A 37 6.526 -8.418 13.810 1.00 5.32 H new ATOM 0 HH11 ARG A 37 3.905 -6.105 13.554 1.00 33.13 H new ATOM 0 HH12 ARG A 37 4.694 -4.918 14.598 1.00 33.13 H new ATOM 0 HH21 ARG A 37 7.707 -6.769 14.844 1.00 21.54 H new ATOM 0 HH22 ARG A 37 6.863 -5.297 15.333 1.00 21.54 H new ATOM 521 N ILE A 38 5.827 -7.189 6.232 1.00 2.04 N ATOM 522 CA ILE A 38 5.551 -7.699 4.890 1.00 21.24 C ATOM 523 C ILE A 38 6.436 -6.963 3.888 1.00 4.41 C ATOM 524 O ILE A 38 7.393 -7.539 3.379 1.00 11.03 O ATOM 525 CB ILE A 38 4.044 -7.519 4.593 1.00 51.34 C ATOM 526 CG1 ILE A 38 3.123 -8.169 5.641 1.00 52.01 C ATOM 527 CG2 ILE A 38 3.634 -7.968 3.179 1.00 54.13 C ATOM 528 CD1 ILE A 38 3.167 -9.693 5.589 1.00 71.13 C ATOM 0 H ILE A 38 5.915 -6.173 6.263 1.00 2.04 H new ATOM 0 HA ILE A 38 5.782 -8.761 4.812 1.00 21.24 H new ATOM 0 HB ILE A 38 3.901 -6.440 4.652 1.00 51.34 H new ATOM 0 HG12 ILE A 38 3.416 -7.834 6.636 1.00 52.01 H new ATOM 0 HG13 ILE A 38 2.099 -7.832 5.480 1.00 52.01 H new ATOM 0 HG21 ILE A 38 2.564 -7.812 3.044 1.00 54.13 H new ATOM 0 HG22 ILE A 38 4.182 -7.385 2.439 1.00 54.13 H new ATOM 0 HG23 ILE A 38 3.865 -9.026 3.052 1.00 54.13 H new ATOM 0 HD11 ILE A 38 2.500 -10.102 6.348 1.00 71.13 H new ATOM 0 HD12 ILE A 38 2.848 -10.033 4.604 1.00 71.13 H new ATOM 0 HD13 ILE A 38 4.185 -10.034 5.778 1.00 71.13 H new ATOM 539 N ILE A 39 6.119 -5.691 3.629 1.00 35.34 N ATOM 540 CA ILE A 39 6.807 -4.789 2.711 1.00 63.52 C ATOM 541 C ILE A 39 8.210 -4.451 3.251 1.00 32.40 C ATOM 542 O ILE A 39 9.014 -3.845 2.548 1.00 14.32 O ATOM 543 CB ILE A 39 5.911 -3.536 2.490 1.00 13.04 C ATOM 544 CG1 ILE A 39 4.460 -3.882 2.076 1.00 33.12 C ATOM 545 CG2 ILE A 39 6.468 -2.535 1.467 1.00 21.13 C ATOM 546 CD1 ILE A 39 4.307 -4.713 0.799 1.00 35.50 C ATOM 0 H ILE A 39 5.326 -5.239 4.085 1.00 35.34 H new ATOM 0 HA ILE A 39 6.965 -5.260 1.741 1.00 63.52 H new ATOM 0 HB ILE A 39 5.910 -3.067 3.474 1.00 13.04 H new ATOM 0 HG12 ILE A 39 3.988 -4.423 2.896 1.00 33.12 H new ATOM 0 HG13 ILE A 39 3.908 -2.951 1.948 1.00 33.12 H new ATOM 0 HG21 ILE A 39 5.783 -1.692 1.373 1.00 21.13 H new ATOM 0 HG22 ILE A 39 7.441 -2.176 1.802 1.00 21.13 H new ATOM 0 HG23 ILE A 39 6.575 -3.025 0.499 1.00 21.13 H new ATOM 0 HD11 ILE A 39 3.249 -4.894 0.607 1.00 35.50 H new ATOM 0 HD12 ILE A 39 4.740 -4.171 -0.042 1.00 35.50 H new ATOM 0 HD13 ILE A 39 4.822 -5.666 0.921 1.00 35.50 H new ATOM 557 N GLY A 40 8.526 -4.824 4.498 1.00 60.25 N ATOM 558 CA GLY A 40 9.885 -4.742 5.013 1.00 13.21 C ATOM 559 C GLY A 40 10.301 -3.313 5.346 1.00 43.04 C ATOM 560 O GLY A 40 11.464 -3.081 5.674 1.00 1.33 O ATOM 0 H GLY A 40 7.848 -5.187 5.168 1.00 60.25 H new ATOM 0 HA2 GLY A 40 9.968 -5.359 5.908 1.00 13.21 H new ATOM 0 HA3 GLY A 40 10.574 -5.155 4.276 1.00 13.21 H new ATOM 564 N TRP A 41 9.365 -2.360 5.286 1.00 71.33 N ATOM 565 CA TRP A 41 9.606 -0.921 5.264 1.00 31.50 C ATOM 566 C TRP A 41 9.767 -0.304 6.655 1.00 3.11 C ATOM 567 O TRP A 41 9.481 0.886 6.829 1.00 2.14 O ATOM 568 CB TRP A 41 8.477 -0.265 4.447 1.00 40.13 C ATOM 569 CG TRP A 41 7.085 -0.228 5.016 1.00 42.12 C ATOM 570 CD1 TRP A 41 6.707 -0.679 6.233 1.00 31.31 C ATOM 571 CD2 TRP A 41 5.882 0.356 4.423 1.00 31.12 C ATOM 572 NE1 TRP A 41 5.412 -0.298 6.489 1.00 24.43 N ATOM 573 CE2 TRP A 41 4.830 0.289 5.387 1.00 54.23 C ATOM 574 CE3 TRP A 41 5.570 0.949 3.179 1.00 24.23 C ATOM 575 CZ2 TRP A 41 3.536 0.767 5.127 1.00 71.52 C ATOM 576 CZ3 TRP A 41 4.269 1.405 2.899 1.00 35.53 C ATOM 577 CH2 TRP A 41 3.253 1.320 3.869 1.00 3.20 C ATOM 0 H TRP A 41 8.371 -2.587 5.250 1.00 71.33 H new ATOM 0 HA TRP A 41 10.567 -0.731 4.787 1.00 31.50 H new ATOM 0 HB2 TRP A 41 8.775 0.763 4.242 1.00 40.13 H new ATOM 0 HB3 TRP A 41 8.425 -0.779 3.487 1.00 40.13 H new ATOM 0 HD1 TRP A 41 7.330 -1.253 6.904 1.00 31.31 H new ATOM 0 HE1 TRP A 41 4.940 -0.433 7.383 1.00 24.43 H new ATOM 0 HE3 TRP A 41 6.342 1.054 2.431 1.00 24.23 H new ATOM 0 HZ2 TRP A 41 2.769 0.710 5.885 1.00 71.52 H new ATOM 0 HZ3 TRP A 41 4.047 1.825 1.929 1.00 35.53 H new ATOM 0 HH2 TRP A 41 2.259 1.679 3.646 1.00 3.20 H new ATOM 587 N GLY A 42 10.121 -1.107 7.659 1.00 72.24 N ATOM 588 CA GLY A 42 10.145 -0.724 9.058 1.00 64.21 C ATOM 589 C GLY A 42 8.816 -0.087 9.413 1.00 65.25 C ATOM 590 O GLY A 42 7.772 -0.715 9.263 1.00 22.44 O ATOM 0 H GLY A 42 10.408 -2.074 7.508 1.00 72.24 H new ATOM 0 HA2 GLY A 42 10.325 -1.597 9.685 1.00 64.21 H new ATOM 0 HA3 GLY A 42 10.960 -0.025 9.244 1.00 64.21 H new ATOM 594 N THR A 43 8.837 1.189 9.785 1.00 14.31 N ATOM 595 CA THR A 43 7.620 1.930 10.096 1.00 61.53 C ATOM 596 C THR A 43 7.914 3.432 10.041 1.00 14.20 C ATOM 597 O THR A 43 8.422 4.022 10.996 1.00 44.15 O ATOM 598 CB THR A 43 7.015 1.430 11.432 1.00 2.34 C ATOM 599 OG1 THR A 43 5.735 1.994 11.629 1.00 43.22 O ATOM 600 CG2 THR A 43 7.861 1.752 12.658 1.00 43.24 C ATOM 0 H THR A 43 9.693 1.736 9.879 1.00 14.31 H new ATOM 0 HA THR A 43 6.846 1.748 9.350 1.00 61.53 H new ATOM 0 HB THR A 43 6.969 0.345 11.337 1.00 2.34 H new ATOM 0 HG1 THR A 43 5.361 1.670 12.475 1.00 43.22 H new ATOM 0 HG21 THR A 43 7.368 1.368 13.551 1.00 43.24 H new ATOM 0 HG22 THR A 43 8.841 1.286 12.556 1.00 43.24 H new ATOM 0 HG23 THR A 43 7.980 2.832 12.745 1.00 43.24 H new ATOM 608 N GLY A 44 7.618 4.074 8.918 1.00 2.24 N ATOM 609 CA GLY A 44 7.706 5.515 8.767 1.00 12.33 C ATOM 610 C GLY A 44 8.242 5.856 7.392 1.00 11.44 C ATOM 611 O GLY A 44 7.640 5.466 6.387 1.00 1.34 O ATOM 0 H GLY A 44 7.305 3.596 8.073 1.00 2.24 H new ATOM 0 HA2 GLY A 44 6.723 5.965 8.906 1.00 12.33 H new ATOM 0 HA3 GLY A 44 8.358 5.931 9.535 1.00 12.33 H new ATOM 615 N ALA A 45 9.347 6.593 7.382 1.00 35.52 N ATOM 616 CA ALA A 45 10.001 7.156 6.197 1.00 32.40 C ATOM 617 C ALA A 45 11.321 6.431 5.990 1.00 53.15 C ATOM 618 O ALA A 45 11.544 5.809 4.958 1.00 55.15 O ATOM 619 CB ALA A 45 10.245 8.666 6.364 1.00 20.53 C ATOM 0 H ALA A 45 9.840 6.829 8.243 1.00 35.52 H new ATOM 0 HA ALA A 45 9.355 7.022 5.329 1.00 32.40 H new ATOM 0 HB1 ALA A 45 10.731 9.057 5.470 1.00 20.53 H new ATOM 0 HB2 ALA A 45 9.292 9.175 6.511 1.00 20.53 H new ATOM 0 HB3 ALA A 45 10.885 8.838 7.230 1.00 20.53 H new ATOM 625 N GLU A 46 12.170 6.489 7.011 1.00 31.22 N ATOM 626 CA GLU A 46 13.483 5.911 7.108 1.00 21.50 C ATOM 627 C GLU A 46 13.422 4.408 6.792 1.00 41.02 C ATOM 628 O GLU A 46 14.141 3.922 5.920 1.00 0.32 O ATOM 629 CB GLU A 46 13.879 6.257 8.551 1.00 14.32 C ATOM 630 CG GLU A 46 15.362 6.347 8.812 1.00 44.45 C ATOM 631 CD GLU A 46 16.042 5.002 8.626 1.00 44.14 C ATOM 632 OE1 GLU A 46 15.647 4.039 9.325 1.00 52.02 O ATOM 633 OE2 GLU A 46 16.889 4.937 7.719 1.00 43.42 O ATOM 0 H GLU A 46 11.922 6.991 7.864 1.00 31.22 H new ATOM 0 HA GLU A 46 14.222 6.284 6.399 1.00 21.50 H new ATOM 0 HB2 GLU A 46 13.422 7.210 8.816 1.00 14.32 H new ATOM 0 HB3 GLU A 46 13.455 5.505 9.216 1.00 14.32 H new ATOM 0 HG2 GLU A 46 15.808 7.078 8.137 1.00 44.45 H new ATOM 0 HG3 GLU A 46 15.533 6.705 9.827 1.00 44.45 H new ATOM 638 N GLY A 47 12.476 3.690 7.405 1.00 14.23 N ATOM 639 CA GLY A 47 12.300 2.267 7.148 1.00 63.13 C ATOM 640 C GLY A 47 11.977 1.968 5.677 1.00 61.23 C ATOM 641 O GLY A 47 12.439 0.970 5.131 1.00 33.11 O ATOM 0 H GLY A 47 11.821 4.077 8.084 1.00 14.23 H new ATOM 0 HA2 GLY A 47 13.208 1.735 7.432 1.00 63.13 H new ATOM 0 HA3 GLY A 47 11.497 1.885 7.778 1.00 63.13 H new ATOM 645 N ALA A 48 11.160 2.809 5.030 1.00 23.23 N ATOM 646 CA ALA A 48 10.787 2.642 3.632 1.00 75.41 C ATOM 647 C ALA A 48 11.904 3.072 2.679 1.00 0.24 C ATOM 648 O ALA A 48 11.871 2.694 1.510 1.00 61.11 O ATOM 649 CB ALA A 48 9.504 3.438 3.344 1.00 1.04 C ATOM 0 H ALA A 48 10.740 3.628 5.471 1.00 23.23 H new ATOM 0 HA ALA A 48 10.611 1.580 3.458 1.00 75.41 H new ATOM 0 HB1 ALA A 48 9.225 3.313 2.298 1.00 1.04 H new ATOM 0 HB2 ALA A 48 8.698 3.072 3.980 1.00 1.04 H new ATOM 0 HB3 ALA A 48 9.677 4.494 3.549 1.00 1.04 H new ATOM 655 N ARG A 49 12.854 3.890 3.133 1.00 53.22 N ATOM 656 CA ARG A 49 13.995 4.350 2.355 1.00 71.12 C ATOM 657 C ARG A 49 14.995 3.213 2.243 1.00 75.33 C ATOM 658 O ARG A 49 15.232 2.782 1.123 1.00 40.13 O ATOM 659 CB ARG A 49 14.582 5.595 3.053 1.00 60.42 C ATOM 660 CG ARG A 49 15.910 6.139 2.507 1.00 13.21 C ATOM 661 CD ARG A 49 16.324 7.324 3.394 1.00 23.14 C ATOM 662 NE ARG A 49 17.518 8.016 2.889 1.00 34.43 N ATOM 663 CZ ARG A 49 17.878 9.268 3.197 1.00 13.23 C ATOM 664 NH1 ARG A 49 17.234 9.969 4.128 1.00 33.33 N ATOM 665 NH2 ARG A 49 18.892 9.830 2.561 1.00 52.34 N ATOM 0 H ARG A 49 12.846 4.260 4.083 1.00 53.22 H new ATOM 0 HA ARG A 49 13.712 4.636 1.342 1.00 71.12 H new ATOM 0 HB2 ARG A 49 13.842 6.393 3.001 1.00 60.42 H new ATOM 0 HB3 ARG A 49 14.721 5.358 4.108 1.00 60.42 H new ATOM 0 HG2 ARG A 49 16.676 5.364 2.521 1.00 13.21 H new ATOM 0 HG3 ARG A 49 15.797 6.457 1.471 1.00 13.21 H new ATOM 0 HD2 ARG A 49 15.498 8.032 3.458 1.00 23.14 H new ATOM 0 HD3 ARG A 49 16.516 6.967 4.406 1.00 23.14 H new ATOM 0 HE ARG A 49 18.123 7.499 2.251 1.00 34.43 H new ATOM 0 HH11 ARG A 49 16.446 9.554 4.625 1.00 33.33 H new ATOM 0 HH12 ARG A 49 17.528 10.921 4.344 1.00 33.33 H new ATOM 0 HH21 ARG A 49 19.394 9.310 1.841 1.00 52.34 H new ATOM 0 HH22 ARG A 49 19.172 10.784 2.790 1.00 52.34 H new ATOM 676 N GLN A 50 15.528 2.679 3.352 1.00 42.12 N ATOM 677 CA GLN A 50 16.688 1.783 3.312 1.00 24.21 C ATOM 678 C GLN A 50 16.381 0.458 2.620 1.00 34.23 C ATOM 679 O GLN A 50 17.307 -0.292 2.305 1.00 33.40 O ATOM 680 CB GLN A 50 17.235 1.465 4.718 1.00 75.55 C ATOM 681 CG GLN A 50 17.541 2.669 5.611 1.00 13.24 C ATOM 682 CD GLN A 50 18.397 3.756 4.960 1.00 63.13 C ATOM 683 OE1 GLN A 50 19.298 3.509 4.153 1.00 34.10 O ATOM 684 NE2 GLN A 50 18.129 5.001 5.295 1.00 71.33 N ATOM 0 H GLN A 50 15.170 2.855 4.291 1.00 42.12 H new ATOM 0 HA GLN A 50 17.439 2.329 2.740 1.00 24.21 H new ATOM 0 HB2 GLN A 50 16.512 0.832 5.232 1.00 75.55 H new ATOM 0 HB3 GLN A 50 18.148 0.880 4.606 1.00 75.55 H new ATOM 0 HG2 GLN A 50 16.599 3.113 5.932 1.00 13.24 H new ATOM 0 HG3 GLN A 50 18.049 2.317 6.509 1.00 13.24 H new ATOM 0 HE21 GLN A 50 17.384 5.200 5.962 1.00 71.33 H new ATOM 0 HE22 GLN A 50 18.667 5.766 4.887 1.00 71.33 H new ATOM 691 N ARG A 51 15.102 0.133 2.411 1.00 52.02 N ATOM 692 CA ARG A 51 14.700 -1.134 1.822 1.00 63.11 C ATOM 693 C ARG A 51 14.333 -1.021 0.345 1.00 64.21 C ATOM 694 O ARG A 51 14.195 -2.043 -0.323 1.00 73.13 O ATOM 695 CB ARG A 51 13.566 -1.730 2.679 1.00 61.54 C ATOM 696 CG ARG A 51 13.544 -3.263 2.674 1.00 62.51 C ATOM 697 CD ARG A 51 14.740 -3.847 3.446 1.00 20.52 C ATOM 698 NE ARG A 51 14.755 -5.313 3.384 1.00 41.25 N ATOM 699 CZ ARG A 51 13.946 -6.143 4.042 1.00 11.01 C ATOM 700 NH1 ARG A 51 13.069 -5.681 4.925 1.00 52.13 N ATOM 701 NH2 ARG A 51 14.008 -7.440 3.800 1.00 62.22 N ATOM 0 H ARG A 51 14.321 0.745 2.648 1.00 52.02 H new ATOM 0 HA ARG A 51 15.552 -1.814 1.830 1.00 63.11 H new ATOM 0 HB2 ARG A 51 13.672 -1.378 3.705 1.00 61.54 H new ATOM 0 HB3 ARG A 51 12.609 -1.359 2.312 1.00 61.54 H new ATOM 0 HG2 ARG A 51 12.614 -3.616 3.120 1.00 62.51 H new ATOM 0 HG3 ARG A 51 13.562 -3.625 1.646 1.00 62.51 H new ATOM 0 HD2 ARG A 51 15.669 -3.455 3.032 1.00 20.52 H new ATOM 0 HD3 ARG A 51 14.695 -3.526 4.487 1.00 20.52 H new ATOM 0 HE ARG A 51 15.455 -5.740 2.777 1.00 41.25 H new ATOM 0 HH11 ARG A 51 13.008 -4.679 5.107 1.00 52.13 H new ATOM 0 HH12 ARG A 51 12.456 -6.328 5.421 1.00 52.13 H new ATOM 0 HH21 ARG A 51 14.672 -7.800 3.114 1.00 62.22 H new ATOM 0 HH22 ARG A 51 13.392 -8.082 4.299 1.00 62.22 H new ATOM 712 N LEU A 52 14.171 0.198 -0.164 1.00 64.45 N ATOM 713 CA LEU A 52 13.699 0.495 -1.507 1.00 42.24 C ATOM 714 C LEU A 52 14.825 0.444 -2.491 1.00 40.43 C ATOM 715 O LEU A 52 14.775 -0.332 -3.442 1.00 74.33 O ATOM 716 CB LEU A 52 13.140 1.912 -1.506 1.00 14.21 C ATOM 717 CG LEU A 52 12.827 2.622 -2.854 1.00 22.43 C ATOM 718 CD1 LEU A 52 13.675 3.827 -3.233 1.00 42.42 C ATOM 719 CD2 LEU A 52 12.590 1.799 -4.110 1.00 71.33 C ATOM 0 H LEU A 52 14.375 1.040 0.375 1.00 64.45 H new ATOM 0 HA LEU A 52 12.945 -0.240 -1.790 1.00 42.24 H new ATOM 0 HB2 LEU A 52 12.218 1.897 -0.925 1.00 14.21 H new ATOM 0 HB3 LEU A 52 13.848 2.540 -0.965 1.00 14.21 H new ATOM 0 HG LEU A 52 11.847 2.957 -2.515 1.00 22.43 H new ATOM 0 HD11 LEU A 52 13.343 4.217 -4.195 1.00 42.42 H new ATOM 0 HD12 LEU A 52 13.569 4.600 -2.472 1.00 42.42 H new ATOM 0 HD13 LEU A 52 14.721 3.528 -3.304 1.00 42.42 H new ATOM 0 HD21 LEU A 52 12.387 2.465 -4.949 1.00 71.33 H new ATOM 0 HD22 LEU A 52 13.476 1.202 -4.327 1.00 71.33 H new ATOM 0 HD23 LEU A 52 11.737 1.138 -3.957 1.00 71.33 H new ATOM 730 N GLU A 53 15.782 1.357 -2.323 1.00 12.22 N ATOM 731 CA GLU A 53 16.659 1.728 -3.411 1.00 31.22 C ATOM 732 C GLU A 53 17.538 0.542 -3.838 1.00 35.33 C ATOM 733 O GLU A 53 18.218 0.608 -4.865 1.00 12.31 O ATOM 734 CB GLU A 53 17.568 2.932 -3.045 1.00 31.22 C ATOM 735 CG GLU A 53 16.865 4.201 -2.519 1.00 64.25 C ATOM 736 CD GLU A 53 17.793 5.372 -2.167 1.00 34.30 C ATOM 737 OE1 GLU A 53 18.914 5.166 -1.645 1.00 3.11 O ATOM 738 OE2 GLU A 53 17.448 6.544 -2.463 1.00 72.43 O ATOM 0 H GLU A 53 15.962 1.845 -1.446 1.00 12.22 H new ATOM 0 HA GLU A 53 16.016 2.023 -4.240 1.00 31.22 H new ATOM 0 HB2 GLU A 53 18.282 2.602 -2.290 1.00 31.22 H new ATOM 0 HB3 GLU A 53 18.143 3.205 -3.930 1.00 31.22 H new ATOM 0 HG2 GLU A 53 16.152 4.539 -3.271 1.00 64.25 H new ATOM 0 HG3 GLU A 53 16.291 3.936 -1.631 1.00 64.25 H new ATOM 743 N ASN A 54 17.536 -0.525 -3.033 1.00 13.12 N ATOM 744 CA ASN A 54 18.312 -1.740 -3.133 1.00 64.25 C ATOM 745 C ASN A 54 17.434 -2.987 -2.922 1.00 20.33 C ATOM 746 O ASN A 54 17.876 -3.941 -2.281 1.00 62.51 O ATOM 747 CB ASN A 54 19.462 -1.678 -2.102 1.00 71.41 C ATOM 748 CG ASN A 54 19.014 -1.124 -0.749 1.00 0.02 C ATOM 749 OD1 ASN A 54 19.592 -0.160 -0.257 1.00 51.43 O ATOM 750 ND2 ASN A 54 17.907 -1.591 -0.186 1.00 63.54 N ATOM 0 H ASN A 54 16.925 -0.550 -2.217 1.00 13.12 H new ATOM 0 HA ASN A 54 18.729 -1.822 -4.137 1.00 64.25 H new ATOM 0 HB2 ASN A 54 19.873 -2.678 -1.962 1.00 71.41 H new ATOM 0 HB3 ASN A 54 20.265 -1.055 -2.497 1.00 71.41 H new ATOM 0 HD21 ASN A 54 17.537 -1.149 0.655 1.00 63.54 H new ATOM 0 HD22 ASN A 54 17.426 -2.392 -0.595 1.00 63.54 H new ATOM 756 N ILE A 55 16.186 -2.973 -3.401 1.00 1.03 N ATOM 757 CA ILE A 55 15.236 -4.096 -3.376 1.00 53.11 C ATOM 758 C ILE A 55 15.882 -5.375 -3.952 1.00 64.12 C ATOM 759 O ILE A 55 16.918 -5.305 -4.614 1.00 74.53 O ATOM 760 CB ILE A 55 13.961 -3.687 -4.153 1.00 61.14 C ATOM 761 CG1 ILE A 55 12.715 -4.450 -3.674 1.00 60.31 C ATOM 762 CG2 ILE A 55 14.111 -3.927 -5.668 1.00 74.44 C ATOM 763 CD1 ILE A 55 12.019 -3.754 -2.508 1.00 52.12 C ATOM 0 H ILE A 55 15.790 -2.141 -3.838 1.00 1.03 H new ATOM 0 HA ILE A 55 14.959 -4.326 -2.347 1.00 53.11 H new ATOM 0 HB ILE A 55 13.833 -2.623 -3.956 1.00 61.14 H new ATOM 0 HG12 ILE A 55 12.014 -4.553 -4.503 1.00 60.31 H new ATOM 0 HG13 ILE A 55 13.003 -5.457 -3.373 1.00 60.31 H new ATOM 0 HG21 ILE A 55 13.195 -3.627 -6.176 1.00 74.44 H new ATOM 0 HG22 ILE A 55 14.946 -3.339 -6.049 1.00 74.44 H new ATOM 0 HG23 ILE A 55 14.298 -4.985 -5.852 1.00 74.44 H new ATOM 0 HD11 ILE A 55 11.146 -4.333 -2.208 1.00 52.12 H new ATOM 0 HD12 ILE A 55 12.709 -3.675 -1.668 1.00 52.12 H new ATOM 0 HD13 ILE A 55 11.705 -2.756 -2.815 1.00 52.12 H new ATOM 774 N GLN A 56 15.261 -6.539 -3.749 1.00 60.31 N ATOM 775 CA GLN A 56 15.567 -7.759 -4.494 1.00 13.22 C ATOM 776 C GLN A 56 14.293 -8.425 -5.024 1.00 74.51 C ATOM 777 O GLN A 56 13.202 -8.154 -4.516 1.00 12.34 O ATOM 778 CB GLN A 56 16.347 -8.710 -3.576 1.00 41.11 C ATOM 779 CG GLN A 56 17.852 -8.426 -3.621 1.00 0.02 C ATOM 780 CD GLN A 56 18.396 -8.033 -2.257 1.00 44.31 C ATOM 781 OE1 GLN A 56 18.924 -8.882 -1.542 1.00 41.03 O ATOM 782 NE2 GLN A 56 18.251 -6.782 -1.857 1.00 21.31 N ATOM 0 H GLN A 56 14.524 -6.661 -3.055 1.00 60.31 H new ATOM 0 HA GLN A 56 16.175 -7.508 -5.363 1.00 13.22 H new ATOM 0 HB2 GLN A 56 15.987 -8.606 -2.553 1.00 41.11 H new ATOM 0 HB3 GLN A 56 16.161 -9.741 -3.876 1.00 41.11 H new ATOM 0 HG2 GLN A 56 18.378 -9.311 -3.980 1.00 0.02 H new ATOM 0 HG3 GLN A 56 18.049 -7.626 -4.335 1.00 0.02 H new ATOM 0 HE21 GLN A 56 17.809 -6.098 -2.471 1.00 21.31 H new ATOM 0 HE22 GLN A 56 18.581 -6.500 -0.934 1.00 21.31 H new ATOM 789 N PRO A 57 14.409 -9.364 -5.981 1.00 55.24 N ATOM 790 CA PRO A 57 13.275 -10.135 -6.483 1.00 71.52 C ATOM 791 C PRO A 57 12.715 -11.065 -5.396 1.00 14.32 C ATOM 792 O PRO A 57 11.534 -11.418 -5.401 1.00 23.13 O ATOM 793 CB PRO A 57 13.832 -10.918 -7.676 1.00 35.44 C ATOM 794 CG PRO A 57 15.293 -11.136 -7.296 1.00 41.01 C ATOM 795 CD PRO A 57 15.643 -9.812 -6.617 1.00 13.12 C ATOM 0 HA PRO A 57 12.439 -9.501 -6.777 1.00 71.52 H new ATOM 0 HB2 PRO A 57 13.307 -11.863 -7.818 1.00 35.44 H new ATOM 0 HB3 PRO A 57 13.737 -10.357 -8.606 1.00 35.44 H new ATOM 0 HG2 PRO A 57 15.418 -11.985 -6.624 1.00 41.01 H new ATOM 0 HG3 PRO A 57 15.918 -11.325 -8.169 1.00 41.01 H new ATOM 0 HD2 PRO A 57 16.437 -9.945 -5.883 1.00 13.12 H new ATOM 0 HD3 PRO A 57 15.999 -9.081 -7.343 1.00 13.12 H new ATOM 800 N ALA A 58 13.538 -11.473 -4.428 1.00 21.22 N ATOM 801 CA ALA A 58 13.079 -12.284 -3.313 1.00 73.52 C ATOM 802 C ALA A 58 12.146 -11.490 -2.391 1.00 63.51 C ATOM 803 O ALA A 58 11.237 -12.084 -1.813 1.00 20.52 O ATOM 804 CB ALA A 58 14.295 -12.811 -2.562 1.00 52.44 C ATOM 0 H ALA A 58 14.533 -11.249 -4.400 1.00 21.22 H new ATOM 0 HA ALA A 58 12.497 -13.125 -3.690 1.00 73.52 H new ATOM 0 HB1 ALA A 58 13.967 -13.422 -1.721 1.00 52.44 H new ATOM 0 HB2 ALA A 58 14.904 -13.416 -3.234 1.00 52.44 H new ATOM 0 HB3 ALA A 58 14.886 -11.973 -2.192 1.00 52.44 H new ATOM 810 N ASP A 59 12.330 -10.165 -2.295 1.00 63.41 N ATOM 811 CA ASP A 59 11.499 -9.313 -1.439 1.00 41.02 C ATOM 812 C ASP A 59 10.095 -9.140 -2.032 1.00 51.02 C ATOM 813 O ASP A 59 9.159 -8.869 -1.289 1.00 71.32 O ATOM 814 CB ASP A 59 12.152 -7.921 -1.234 1.00 44.12 C ATOM 815 CG ASP A 59 13.023 -7.783 0.020 1.00 24.42 C ATOM 816 OD1 ASP A 59 12.633 -8.272 1.108 1.00 54.44 O ATOM 817 OD2 ASP A 59 14.106 -7.157 -0.093 1.00 64.31 O ATOM 0 H ASP A 59 13.054 -9.659 -2.805 1.00 63.41 H new ATOM 0 HA ASP A 59 11.415 -9.808 -0.472 1.00 41.02 H new ATOM 0 HB2 ASP A 59 12.763 -7.693 -2.107 1.00 44.12 H new ATOM 0 HB3 ASP A 59 11.363 -7.171 -1.192 1.00 44.12 H new ATOM 821 N VAL A 60 9.891 -9.309 -3.348 1.00 71.11 N ATOM 822 CA VAL A 60 8.547 -9.231 -3.944 1.00 42.42 C ATOM 823 C VAL A 60 7.865 -10.593 -3.841 1.00 24.43 C ATOM 824 O VAL A 60 6.755 -10.701 -3.311 1.00 13.04 O ATOM 825 CB VAL A 60 8.575 -8.614 -5.362 1.00 33.52 C ATOM 826 CG1 VAL A 60 9.627 -9.207 -6.294 1.00 23.32 C ATOM 827 CG2 VAL A 60 7.226 -8.636 -6.069 1.00 51.35 C ATOM 0 H VAL A 60 10.636 -9.500 -4.018 1.00 71.11 H new ATOM 0 HA VAL A 60 7.929 -8.534 -3.377 1.00 42.42 H new ATOM 0 HB VAL A 60 8.851 -7.580 -5.158 1.00 33.52 H new ATOM 0 HG11 VAL A 60 9.573 -8.714 -7.265 1.00 23.32 H new ATOM 0 HG12 VAL A 60 10.618 -9.057 -5.866 1.00 23.32 H new ATOM 0 HG13 VAL A 60 9.443 -10.274 -6.418 1.00 23.32 H new ATOM 0 HG21 VAL A 60 7.326 -8.187 -7.057 1.00 51.35 H new ATOM 0 HG22 VAL A 60 6.886 -9.666 -6.172 1.00 51.35 H new ATOM 0 HG23 VAL A 60 6.500 -8.071 -5.485 1.00 51.35 H new ATOM 837 N SER A 61 8.553 -11.663 -4.236 1.00 53.15 N ATOM 838 CA SER A 61 8.047 -13.025 -4.138 1.00 0.00 C ATOM 839 C SER A 61 8.220 -13.628 -2.745 1.00 23.31 C ATOM 840 O SER A 61 8.384 -14.840 -2.612 1.00 12.24 O ATOM 841 CB SER A 61 8.620 -13.851 -5.280 1.00 32.52 C ATOM 842 OG SER A 61 8.037 -13.357 -6.472 1.00 40.03 O ATOM 0 H SER A 61 9.489 -11.604 -4.638 1.00 53.15 H new ATOM 0 HA SER A 61 6.964 -13.022 -4.259 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.706 -13.762 -5.315 1.00 32.52 H new ATOM 0 HB3 SER A 61 8.390 -14.908 -5.146 1.00 32.52 H new ATOM 0 HG SER A 61 8.381 -13.862 -7.238 1.00 40.03 H new ATOM 847 N MET A 62 8.067 -12.789 -1.721 1.00 72.34 N ATOM 848 CA MET A 62 7.634 -13.147 -0.381 1.00 3.00 C ATOM 849 C MET A 62 6.271 -12.501 -0.104 1.00 4.12 C ATOM 850 O MET A 62 5.367 -13.185 0.350 1.00 12.31 O ATOM 851 CB MET A 62 8.711 -12.797 0.650 1.00 54.32 C ATOM 852 CG MET A 62 8.961 -11.306 0.839 1.00 62.24 C ATOM 853 SD MET A 62 10.342 -10.942 1.941 1.00 13.30 S ATOM 854 CE MET A 62 9.685 -11.681 3.450 1.00 62.13 C ATOM 0 H MET A 62 8.253 -11.790 -1.814 1.00 72.34 H new ATOM 0 HA MET A 62 7.499 -14.225 -0.299 1.00 3.00 H new ATOM 0 HB2 MET A 62 8.427 -13.227 1.610 1.00 54.32 H new ATOM 0 HB3 MET A 62 9.646 -13.272 0.352 1.00 54.32 H new ATOM 0 HG2 MET A 62 9.153 -10.852 -0.133 1.00 62.24 H new ATOM 0 HG3 MET A 62 8.058 -10.842 1.235 1.00 62.24 H new ATOM 0 HE1 MET A 62 10.204 -11.266 4.314 1.00 62.13 H new ATOM 0 HE2 MET A 62 8.620 -11.463 3.528 1.00 62.13 H new ATOM 0 HE3 MET A 62 9.833 -12.760 3.421 1.00 62.13 H new ATOM 862 N ILE A 63 6.050 -11.234 -0.468 1.00 22.14 N ATOM 863 CA ILE A 63 4.836 -10.460 -0.217 1.00 33.14 C ATOM 864 C ILE A 63 3.641 -11.185 -0.843 1.00 74.44 C ATOM 865 O ILE A 63 2.583 -11.308 -0.223 1.00 73.51 O ATOM 866 CB ILE A 63 5.039 -9.026 -0.780 1.00 14.41 C ATOM 867 CG1 ILE A 63 6.144 -8.261 -0.011 1.00 62.54 C ATOM 868 CG2 ILE A 63 3.734 -8.213 -0.760 1.00 64.24 C ATOM 869 CD1 ILE A 63 6.678 -7.038 -0.773 1.00 33.30 C ATOM 0 H ILE A 63 6.753 -10.694 -0.973 1.00 22.14 H new ATOM 0 HA ILE A 63 4.631 -10.369 0.850 1.00 33.14 H new ATOM 0 HB ILE A 63 5.355 -9.145 -1.816 1.00 14.41 H new ATOM 0 HG12 ILE A 63 5.749 -7.937 0.952 1.00 62.54 H new ATOM 0 HG13 ILE A 63 6.970 -8.941 0.196 1.00 62.54 H new ATOM 0 HG21 ILE A 63 3.920 -7.217 -1.162 1.00 64.24 H new ATOM 0 HG22 ILE A 63 2.983 -8.716 -1.369 1.00 64.24 H new ATOM 0 HG23 ILE A 63 3.373 -8.129 0.265 1.00 64.24 H new ATOM 0 HD11 ILE A 63 7.449 -6.547 -0.179 1.00 33.30 H new ATOM 0 HD12 ILE A 63 7.102 -7.359 -1.724 1.00 33.30 H new ATOM 0 HD13 ILE A 63 5.862 -6.339 -0.957 1.00 33.30 H new ATOM 880 N LYS A 64 3.826 -11.725 -2.050 1.00 73.31 N ATOM 881 CA LYS A 64 2.808 -12.485 -2.780 1.00 62.53 C ATOM 882 C LYS A 64 2.303 -13.684 -1.981 1.00 33.24 C ATOM 883 O LYS A 64 1.127 -14.039 -2.077 1.00 60.51 O ATOM 884 CB LYS A 64 3.394 -12.920 -4.135 1.00 40.05 C ATOM 885 CG LYS A 64 3.524 -11.710 -5.082 1.00 43.15 C ATOM 886 CD LYS A 64 4.714 -11.732 -6.053 1.00 74.35 C ATOM 887 CE LYS A 64 4.431 -12.486 -7.357 1.00 73.51 C ATOM 888 NZ LYS A 64 5.499 -12.331 -8.376 1.00 13.41 N ATOM 0 H LYS A 64 4.707 -11.644 -2.558 1.00 73.31 H new ATOM 0 HA LYS A 64 1.941 -11.845 -2.944 1.00 62.53 H new ATOM 0 HB2 LYS A 64 4.372 -13.378 -3.985 1.00 40.05 H new ATOM 0 HB3 LYS A 64 2.754 -13.677 -4.588 1.00 40.05 H new ATOM 0 HG2 LYS A 64 2.607 -11.632 -5.666 1.00 43.15 H new ATOM 0 HG3 LYS A 64 3.593 -10.807 -4.476 1.00 43.15 H new ATOM 0 HD2 LYS A 64 4.997 -10.706 -6.291 1.00 74.35 H new ATOM 0 HD3 LYS A 64 5.569 -12.191 -5.556 1.00 74.35 H new ATOM 0 HE2 LYS A 64 4.304 -13.545 -7.134 1.00 73.51 H new ATOM 0 HE3 LYS A 64 3.488 -12.133 -7.774 1.00 73.51 H new ATOM 0 HZ1 LYS A 64 5.303 -12.958 -9.182 1.00 13.41 H new ATOM 0 HZ2 LYS A 64 5.526 -11.344 -8.703 1.00 13.41 H new ATOM 0 HZ3 LYS A 64 6.417 -12.582 -7.957 1.00 13.41 H new ATOM 898 N LYS A 65 3.158 -14.299 -1.160 1.00 40.34 N ATOM 899 CA LYS A 65 2.801 -15.471 -0.371 1.00 42.11 C ATOM 900 C LYS A 65 1.880 -15.095 0.777 1.00 32.52 C ATOM 901 O LYS A 65 1.146 -15.956 1.263 1.00 55.00 O ATOM 902 CB LYS A 65 4.052 -16.178 0.179 1.00 75.40 C ATOM 903 CG LYS A 65 4.791 -16.985 -0.883 1.00 55.43 C ATOM 904 CD LYS A 65 5.678 -16.159 -1.822 1.00 11.11 C ATOM 905 CE LYS A 65 6.071 -17.031 -3.003 1.00 11.34 C ATOM 906 NZ LYS A 65 4.949 -17.231 -3.946 1.00 2.34 N ATOM 0 H LYS A 65 4.122 -13.993 -1.026 1.00 40.34 H new ATOM 0 HA LYS A 65 2.277 -16.158 -1.035 1.00 42.11 H new ATOM 0 HB2 LYS A 65 4.729 -15.434 0.599 1.00 75.40 H new ATOM 0 HB3 LYS A 65 3.760 -16.840 0.994 1.00 75.40 H new ATOM 0 HG2 LYS A 65 5.410 -17.731 -0.385 1.00 55.43 H new ATOM 0 HG3 LYS A 65 4.059 -17.526 -1.482 1.00 55.43 H new ATOM 0 HD2 LYS A 65 5.144 -15.273 -2.166 1.00 11.11 H new ATOM 0 HD3 LYS A 65 6.567 -15.811 -1.295 1.00 11.11 H new ATOM 0 HE2 LYS A 65 6.908 -16.572 -3.529 1.00 11.34 H new ATOM 0 HE3 LYS A 65 6.415 -17.999 -2.639 1.00 11.34 H new ATOM 0 HZ1 LYS A 65 5.323 -17.508 -4.876 1.00 2.34 H new ATOM 0 HZ2 LYS A 65 4.323 -17.980 -3.587 1.00 2.34 H new ATOM 0 HZ3 LYS A 65 4.412 -16.345 -4.039 1.00 2.34 H new ATOM 916 N GLN A 66 1.857 -13.822 1.176 1.00 13.31 N ATOM 917 CA GLN A 66 1.075 -13.402 2.332 1.00 2.05 C ATOM 918 C GLN A 66 -0.362 -13.062 1.945 1.00 43.11 C ATOM 919 O GLN A 66 -1.123 -12.551 2.771 1.00 60.51 O ATOM 920 CB GLN A 66 1.817 -12.288 3.090 1.00 61.10 C ATOM 921 CG GLN A 66 2.786 -12.928 4.095 1.00 15.12 C ATOM 922 CD GLN A 66 3.957 -13.663 3.462 1.00 3.40 C ATOM 923 OE1 GLN A 66 3.890 -14.870 3.245 1.00 71.50 O ATOM 924 NE2 GLN A 66 5.039 -12.965 3.172 1.00 35.22 N ATOM 0 H GLN A 66 2.370 -13.070 0.716 1.00 13.31 H new ATOM 0 HA GLN A 66 0.977 -14.233 3.031 1.00 2.05 H new ATOM 0 HB2 GLN A 66 2.363 -11.656 2.390 1.00 61.10 H new ATOM 0 HB3 GLN A 66 1.105 -11.647 3.609 1.00 61.10 H new ATOM 0 HG2 GLN A 66 3.174 -12.150 4.752 1.00 15.12 H new ATOM 0 HG3 GLN A 66 2.231 -13.626 4.721 1.00 15.12 H new ATOM 0 HE21 GLN A 66 5.066 -11.963 3.363 1.00 35.22 H new ATOM 0 HE22 GLN A 66 5.848 -13.427 2.757 1.00 35.22 H new ATOM 931 N GLY A 67 -0.766 -13.391 0.717 1.00 40.31 N ATOM 932 CA GLY A 67 -2.089 -13.062 0.241 1.00 12.02 C ATOM 933 C GLY A 67 -2.109 -11.633 -0.239 1.00 21.15 C ATOM 934 O GLY A 67 -3.009 -10.882 0.127 1.00 4.24 O ATOM 0 H GLY A 67 -0.186 -13.887 0.040 1.00 40.31 H new ATOM 0 HA2 GLY A 67 -2.373 -13.733 -0.570 1.00 12.02 H new ATOM 0 HA3 GLY A 67 -2.819 -13.199 1.039 1.00 12.02 H new ATOM 938 N THR A 68 -1.128 -11.272 -1.059 1.00 73.14 N ATOM 939 CA THR A 68 -1.018 -9.952 -1.639 1.00 22.12 C ATOM 940 C THR A 68 -1.025 -10.121 -3.151 1.00 62.24 C ATOM 941 O THR A 68 -0.499 -11.110 -3.670 1.00 52.14 O ATOM 942 CB THR A 68 0.272 -9.276 -1.155 1.00 63.35 C ATOM 943 OG1 THR A 68 0.515 -9.533 0.215 1.00 2.42 O ATOM 944 CG2 THR A 68 0.197 -7.765 -1.360 1.00 63.13 C ATOM 0 H THR A 68 -0.378 -11.904 -1.340 1.00 73.14 H new ATOM 0 HA THR A 68 -1.848 -9.314 -1.336 1.00 22.12 H new ATOM 0 HB THR A 68 1.088 -9.694 -1.744 1.00 63.35 H new ATOM 0 HG1 THR A 68 1.261 -10.162 0.302 1.00 2.42 H new ATOM 0 HG21 THR A 68 1.121 -7.304 -1.011 1.00 63.13 H new ATOM 0 HG22 THR A 68 0.061 -7.548 -2.419 1.00 63.13 H new ATOM 0 HG23 THR A 68 -0.645 -7.363 -0.796 1.00 63.13 H new ATOM 952 N THR A 69 -1.597 -9.147 -3.839 1.00 22.13 N ATOM 953 CA THR A 69 -1.773 -9.107 -5.274 1.00 44.33 C ATOM 954 C THR A 69 -1.195 -7.786 -5.783 1.00 72.23 C ATOM 955 O THR A 69 -0.914 -6.874 -4.996 1.00 44.04 O ATOM 956 CB THR A 69 -3.269 -9.257 -5.581 1.00 61.32 C ATOM 957 OG1 THR A 69 -4.041 -8.453 -4.710 1.00 43.20 O ATOM 958 CG2 THR A 69 -3.713 -10.706 -5.396 1.00 4.02 C ATOM 0 H THR A 69 -1.971 -8.316 -3.380 1.00 22.13 H new ATOM 0 HA THR A 69 -1.250 -9.919 -5.779 1.00 44.33 H new ATOM 0 HB THR A 69 -3.422 -8.945 -6.614 1.00 61.32 H new ATOM 0 HG1 THR A 69 -4.992 -8.561 -4.922 1.00 43.20 H new ATOM 0 HG21 THR A 69 -4.777 -10.792 -5.618 1.00 4.02 H new ATOM 0 HG22 THR A 69 -3.148 -11.349 -6.071 1.00 4.02 H new ATOM 0 HG23 THR A 69 -3.532 -11.013 -4.366 1.00 4.02 H new ATOM 966 N LEU A 70 -1.038 -7.676 -7.101 1.00 35.42 N ATOM 967 CA LEU A 70 -0.556 -6.476 -7.768 1.00 43.25 C ATOM 968 C LEU A 70 -1.498 -5.299 -7.493 1.00 44.31 C ATOM 969 O LEU A 70 -1.050 -4.164 -7.327 1.00 53.02 O ATOM 970 CB LEU A 70 -0.424 -6.811 -9.263 1.00 61.22 C ATOM 971 CG LEU A 70 0.062 -5.677 -10.174 1.00 23.20 C ATOM 972 CD1 LEU A 70 1.414 -5.136 -9.699 1.00 41.22 C ATOM 973 CD2 LEU A 70 0.209 -6.250 -11.584 1.00 64.35 C ATOM 0 H LEU A 70 -1.248 -8.438 -7.746 1.00 35.42 H new ATOM 0 HA LEU A 70 0.418 -6.165 -7.389 1.00 43.25 H new ATOM 0 HB2 LEU A 70 0.263 -7.651 -9.366 1.00 61.22 H new ATOM 0 HB3 LEU A 70 -1.395 -7.148 -9.625 1.00 61.22 H new ATOM 0 HG LEU A 70 -0.653 -4.855 -10.155 1.00 23.20 H new ATOM 0 HD11 LEU A 70 1.737 -4.333 -10.361 1.00 41.22 H new ATOM 0 HD12 LEU A 70 1.316 -4.752 -8.684 1.00 41.22 H new ATOM 0 HD13 LEU A 70 2.152 -5.938 -9.714 1.00 41.22 H new ATOM 0 HD21 LEU A 70 0.554 -5.468 -12.260 1.00 64.35 H new ATOM 0 HD22 LEU A 70 0.933 -7.065 -11.572 1.00 64.35 H new ATOM 0 HD23 LEU A 70 -0.755 -6.626 -11.926 1.00 64.35 H new ATOM 984 N GLU A 71 -2.791 -5.591 -7.347 1.00 64.54 N ATOM 985 CA GLU A 71 -3.838 -4.699 -6.881 1.00 41.12 C ATOM 986 C GLU A 71 -3.460 -4.000 -5.579 1.00 61.42 C ATOM 987 O GLU A 71 -3.662 -2.796 -5.436 1.00 75.24 O ATOM 988 CB GLU A 71 -5.092 -5.537 -6.603 1.00 72.34 C ATOM 989 CG GLU A 71 -5.771 -6.110 -7.848 1.00 35.14 C ATOM 990 CD GLU A 71 -7.217 -5.628 -7.906 1.00 62.43 C ATOM 991 OE1 GLU A 71 -8.113 -6.281 -7.331 1.00 31.34 O ATOM 992 OE2 GLU A 71 -7.453 -4.568 -8.531 1.00 53.23 O ATOM 0 H GLU A 71 -3.152 -6.519 -7.567 1.00 64.54 H new ATOM 0 HA GLU A 71 -4.001 -3.943 -7.649 1.00 41.12 H new ATOM 0 HB2 GLU A 71 -4.822 -6.361 -5.942 1.00 72.34 H new ATOM 0 HB3 GLU A 71 -5.812 -4.920 -6.065 1.00 72.34 H new ATOM 0 HG2 GLU A 71 -5.236 -5.796 -8.744 1.00 35.14 H new ATOM 0 HG3 GLU A 71 -5.740 -7.199 -7.823 1.00 35.14 H new ATOM 997 N MET A 72 -2.953 -4.762 -4.608 1.00 20.33 N ATOM 998 CA MET A 72 -2.759 -4.245 -3.267 1.00 33.33 C ATOM 999 C MET A 72 -1.723 -3.128 -3.328 1.00 63.32 C ATOM 1000 O MET A 72 -1.928 -2.031 -2.815 1.00 51.41 O ATOM 1001 CB MET A 72 -2.325 -5.374 -2.321 1.00 44.30 C ATOM 1002 CG MET A 72 -3.008 -5.279 -0.957 1.00 64.44 C ATOM 1003 SD MET A 72 -4.781 -5.639 -0.911 1.00 4.13 S ATOM 1004 CE MET A 72 -4.793 -7.334 -1.544 1.00 1.35 C ATOM 0 H MET A 72 -2.673 -5.735 -4.732 1.00 20.33 H new ATOM 0 HA MET A 72 -3.692 -3.841 -2.874 1.00 33.33 H new ATOM 0 HB2 MET A 72 -2.558 -6.337 -2.776 1.00 44.30 H new ATOM 0 HB3 MET A 72 -1.244 -5.338 -2.187 1.00 44.30 H new ATOM 0 HG2 MET A 72 -2.504 -5.964 -0.275 1.00 64.44 H new ATOM 0 HG3 MET A 72 -2.855 -4.272 -0.569 1.00 64.44 H new ATOM 0 HE1 MET A 72 -5.566 -7.908 -1.032 1.00 1.35 H new ATOM 0 HE2 MET A 72 -4.999 -7.321 -2.614 1.00 1.35 H new ATOM 0 HE3 MET A 72 -3.821 -7.795 -1.367 1.00 1.35 H new ATOM 1012 N ILE A 73 -0.604 -3.439 -3.979 1.00 54.45 N ATOM 1013 CA ILE A 73 0.579 -2.606 -4.065 1.00 35.33 C ATOM 1014 C ILE A 73 0.248 -1.334 -4.841 1.00 33.12 C ATOM 1015 O ILE A 73 0.584 -0.244 -4.376 1.00 53.25 O ATOM 1016 CB ILE A 73 1.702 -3.447 -4.708 1.00 44.22 C ATOM 1017 CG1 ILE A 73 1.941 -4.786 -3.964 1.00 31.31 C ATOM 1018 CG2 ILE A 73 3.021 -2.673 -4.828 1.00 24.13 C ATOM 1019 CD1 ILE A 73 2.130 -4.661 -2.448 1.00 21.20 C ATOM 0 H ILE A 73 -0.499 -4.320 -4.482 1.00 54.45 H new ATOM 0 HA ILE A 73 0.925 -2.281 -3.084 1.00 35.33 H new ATOM 0 HB ILE A 73 1.350 -3.675 -5.714 1.00 44.22 H new ATOM 0 HG12 ILE A 73 1.096 -5.447 -4.156 1.00 31.31 H new ATOM 0 HG13 ILE A 73 2.824 -5.266 -4.386 1.00 31.31 H new ATOM 0 HG21 ILE A 73 3.777 -3.311 -5.287 1.00 24.13 H new ATOM 0 HG22 ILE A 73 2.869 -1.788 -5.446 1.00 24.13 H new ATOM 0 HG23 ILE A 73 3.356 -2.369 -3.836 1.00 24.13 H new ATOM 0 HD11 ILE A 73 2.290 -5.650 -2.019 1.00 21.20 H new ATOM 0 HD12 ILE A 73 2.994 -4.030 -2.240 1.00 21.20 H new ATOM 0 HD13 ILE A 73 1.240 -4.214 -2.006 1.00 21.20 H new ATOM 1030 N THR A 74 -0.434 -1.470 -5.982 1.00 11.11 N ATOM 1031 CA THR A 74 -0.772 -0.344 -6.842 1.00 74.33 C ATOM 1032 C THR A 74 -1.592 0.720 -6.099 1.00 21.12 C ATOM 1033 O THR A 74 -1.381 1.911 -6.336 1.00 53.15 O ATOM 1034 CB THR A 74 -1.460 -0.827 -8.140 1.00 44.04 C ATOM 1035 OG1 THR A 74 -2.335 -1.928 -7.987 1.00 43.25 O ATOM 1036 CG2 THR A 74 -0.429 -1.249 -9.182 1.00 11.44 C ATOM 0 H THR A 74 -0.766 -2.369 -6.332 1.00 11.11 H new ATOM 0 HA THR A 74 0.158 0.144 -7.135 1.00 74.33 H new ATOM 0 HB THR A 74 -2.046 0.039 -8.448 1.00 44.04 H new ATOM 0 HG1 THR A 74 -1.836 -2.762 -8.112 1.00 43.25 H new ATOM 0 HG21 THR A 74 -0.940 -1.584 -10.085 1.00 11.44 H new ATOM 0 HG22 THR A 74 0.213 -0.402 -9.422 1.00 11.44 H new ATOM 0 HG23 THR A 74 0.177 -2.063 -8.785 1.00 11.44 H new ATOM 1044 N ALA A 75 -2.476 0.338 -5.170 1.00 42.45 N ATOM 1045 CA ALA A 75 -3.293 1.322 -4.467 1.00 43.41 C ATOM 1046 C ALA A 75 -2.463 2.138 -3.467 1.00 22.21 C ATOM 1047 O ALA A 75 -2.581 3.363 -3.417 1.00 0.00 O ATOM 1048 CB ALA A 75 -4.454 0.628 -3.764 1.00 42.44 C ATOM 0 H ALA A 75 -2.639 -0.630 -4.894 1.00 42.45 H new ATOM 0 HA ALA A 75 -3.689 2.020 -5.204 1.00 43.41 H new ATOM 0 HB1 ALA A 75 -5.059 1.369 -3.242 1.00 42.44 H new ATOM 0 HB2 ALA A 75 -5.069 0.112 -4.501 1.00 42.44 H new ATOM 0 HB3 ALA A 75 -4.065 -0.094 -3.046 1.00 42.44 H new ATOM 1054 N TRP A 76 -1.634 1.470 -2.654 1.00 71.55 N ATOM 1055 CA TRP A 76 -0.808 2.140 -1.649 1.00 44.11 C ATOM 1056 C TRP A 76 0.342 2.917 -2.282 1.00 15.01 C ATOM 1057 O TRP A 76 0.856 3.847 -1.666 1.00 55.42 O ATOM 1058 CB TRP A 76 -0.270 1.133 -0.625 1.00 32.33 C ATOM 1059 CG TRP A 76 -1.331 0.586 0.276 1.00 24.33 C ATOM 1060 CD1 TRP A 76 -1.953 -0.603 0.122 1.00 11.33 C ATOM 1061 CD2 TRP A 76 -1.948 1.217 1.437 1.00 24.34 C ATOM 1062 NE1 TRP A 76 -2.972 -0.719 1.044 1.00 54.13 N ATOM 1063 CE2 TRP A 76 -3.000 0.365 1.895 1.00 34.50 C ATOM 1064 CE3 TRP A 76 -1.752 2.439 2.127 1.00 72.34 C ATOM 1065 CZ2 TRP A 76 -3.844 0.722 2.956 1.00 54.43 C ATOM 1066 CZ3 TRP A 76 -2.522 2.743 3.263 1.00 21.43 C ATOM 1067 CH2 TRP A 76 -3.594 1.916 3.646 1.00 11.10 C ATOM 0 H TRP A 76 -1.520 0.457 -2.676 1.00 71.55 H new ATOM 0 HA TRP A 76 -1.448 2.857 -1.135 1.00 44.11 H new ATOM 0 HB2 TRP A 76 0.210 0.309 -1.153 1.00 32.33 H new ATOM 0 HB3 TRP A 76 0.498 1.615 -0.020 1.00 32.33 H new ATOM 0 HD1 TRP A 76 -1.692 -1.350 -0.613 1.00 11.33 H new ATOM 0 HE1 TRP A 76 -3.621 -1.505 1.090 1.00 54.13 H new ATOM 0 HE3 TRP A 76 -1.008 3.140 1.779 1.00 72.34 H new ATOM 0 HZ2 TRP A 76 -4.672 0.088 3.237 1.00 54.43 H new ATOM 0 HZ3 TRP A 76 -2.288 3.620 3.848 1.00 21.43 H new ATOM 0 HH2 TRP A 76 -4.226 2.202 4.474 1.00 11.10 H new ATOM 1077 N GLN A 77 0.762 2.545 -3.489 1.00 73.21 N ATOM 1078 CA GLN A 77 1.684 3.328 -4.285 1.00 21.11 C ATOM 1079 C GLN A 77 1.057 4.686 -4.564 1.00 31.34 C ATOM 1080 O GLN A 77 1.572 5.713 -4.121 1.00 74.44 O ATOM 1081 CB GLN A 77 1.984 2.550 -5.569 1.00 51.43 C ATOM 1082 CG GLN A 77 2.891 3.280 -6.564 1.00 33.54 C ATOM 1083 CD GLN A 77 3.285 2.361 -7.717 1.00 4.00 C ATOM 1084 OE1 GLN A 77 3.113 1.146 -7.679 1.00 24.13 O ATOM 1085 NE2 GLN A 77 3.874 2.903 -8.763 1.00 55.02 N ATOM 0 H GLN A 77 0.464 1.680 -3.941 1.00 73.21 H new ATOM 0 HA GLN A 77 2.625 3.501 -3.764 1.00 21.11 H new ATOM 0 HB2 GLN A 77 2.450 1.601 -5.302 1.00 51.43 H new ATOM 0 HB3 GLN A 77 1.041 2.314 -6.063 1.00 51.43 H new ATOM 0 HG2 GLN A 77 2.377 4.159 -6.953 1.00 33.54 H new ATOM 0 HG3 GLN A 77 3.787 3.634 -6.054 1.00 33.54 H new ATOM 0 HE21 GLN A 77 4.020 3.912 -8.800 1.00 55.02 H new ATOM 0 HE22 GLN A 77 4.184 2.314 -9.536 1.00 55.02 H new ATOM 1092 N ASP A 78 -0.047 4.666 -5.303 1.00 71.12 N ATOM 1093 CA ASP A 78 -0.634 5.848 -5.911 1.00 74.12 C ATOM 1094 C ASP A 78 -1.159 6.789 -4.845 1.00 15.43 C ATOM 1095 O ASP A 78 -0.901 7.986 -4.931 1.00 34.54 O ATOM 1096 CB ASP A 78 -1.772 5.418 -6.844 1.00 32.43 C ATOM 1097 CG ASP A 78 -1.767 6.248 -8.120 1.00 60.13 C ATOM 1098 OD1 ASP A 78 -0.724 6.270 -8.800 1.00 72.52 O ATOM 1099 OD2 ASP A 78 -2.831 6.816 -8.463 1.00 44.22 O ATOM 0 H ASP A 78 -0.566 3.810 -5.498 1.00 71.12 H new ATOM 0 HA ASP A 78 0.129 6.375 -6.483 1.00 74.12 H new ATOM 0 HB2 ASP A 78 -1.666 4.362 -7.091 1.00 32.43 H new ATOM 0 HB3 ASP A 78 -2.729 5.532 -6.334 1.00 32.43 H new ATOM 1103 N PHE A 79 -1.797 6.255 -3.791 1.00 74.14 N ATOM 1104 CA PHE A 79 -2.272 7.061 -2.672 1.00 44.12 C ATOM 1105 C PHE A 79 -1.138 7.941 -2.140 1.00 15.31 C ATOM 1106 O PHE A 79 -1.349 9.116 -1.850 1.00 42.32 O ATOM 1107 CB PHE A 79 -2.828 6.158 -1.556 1.00 14.30 C ATOM 1108 CG PHE A 79 -3.282 6.918 -0.319 1.00 1.04 C ATOM 1109 CD1 PHE A 79 -2.324 7.327 0.627 1.00 53.25 C ATOM 1110 CD2 PHE A 79 -4.637 7.243 -0.107 1.00 62.11 C ATOM 1111 CE1 PHE A 79 -2.701 8.098 1.737 1.00 55.32 C ATOM 1112 CE2 PHE A 79 -5.026 7.945 1.050 1.00 75.12 C ATOM 1113 CZ PHE A 79 -4.057 8.384 1.967 1.00 1.12 C ATOM 0 H PHE A 79 -1.994 5.258 -3.697 1.00 74.14 H new ATOM 0 HA PHE A 79 -3.078 7.706 -3.021 1.00 44.12 H new ATOM 0 HB2 PHE A 79 -3.669 5.587 -1.949 1.00 14.30 H new ATOM 0 HB3 PHE A 79 -2.061 5.439 -1.268 1.00 14.30 H new ATOM 0 HD1 PHE A 79 -1.290 7.045 0.498 1.00 53.25 H new ATOM 0 HD2 PHE A 79 -5.380 6.952 -0.835 1.00 62.11 H new ATOM 0 HE1 PHE A 79 -1.948 8.472 2.415 1.00 55.32 H new ATOM 0 HE2 PHE A 79 -6.071 8.146 1.233 1.00 75.12 H new ATOM 0 HZ PHE A 79 -4.353 8.939 2.845 1.00 1.12 H new ATOM 1122 N TYR A 80 0.067 7.385 -1.989 1.00 31.13 N ATOM 1123 CA TYR A 80 1.196 8.149 -1.492 1.00 55.05 C ATOM 1124 C TYR A 80 1.764 9.090 -2.553 1.00 15.12 C ATOM 1125 O TYR A 80 2.210 10.177 -2.197 1.00 73.51 O ATOM 1126 CB TYR A 80 2.262 7.202 -0.936 1.00 35.10 C ATOM 1127 CG TYR A 80 1.922 6.527 0.388 1.00 42.05 C ATOM 1128 CD1 TYR A 80 1.248 7.203 1.427 1.00 14.34 C ATOM 1129 CD2 TYR A 80 2.291 5.185 0.570 1.00 15.40 C ATOM 1130 CE1 TYR A 80 0.916 6.532 2.619 1.00 2.01 C ATOM 1131 CE2 TYR A 80 1.933 4.498 1.745 1.00 60.55 C ATOM 1132 CZ TYR A 80 1.263 5.176 2.785 1.00 43.04 C ATOM 1133 OH TYR A 80 0.999 4.542 3.960 1.00 20.34 O ATOM 0 H TYR A 80 0.278 6.411 -2.205 1.00 31.13 H new ATOM 0 HA TYR A 80 0.846 8.787 -0.680 1.00 55.05 H new ATOM 0 HB2 TYR A 80 2.456 6.428 -1.678 1.00 35.10 H new ATOM 0 HB3 TYR A 80 3.189 7.762 -0.810 1.00 35.10 H new ATOM 0 HD1 TYR A 80 0.985 8.243 1.307 1.00 14.34 H new ATOM 0 HD2 TYR A 80 2.854 4.675 -0.198 1.00 15.40 H new ATOM 0 HE1 TYR A 80 0.395 7.056 3.407 1.00 2.01 H new ATOM 0 HE2 TYR A 80 2.172 3.450 1.851 1.00 60.55 H new ATOM 0 HH TYR A 80 1.114 3.576 3.843 1.00 20.34 H new ATOM 1142 N GLU A 81 1.749 8.740 -3.836 1.00 0.31 N ATOM 1143 CA GLU A 81 2.125 9.646 -4.926 1.00 12.00 C ATOM 1144 C GLU A 81 1.160 10.845 -4.991 1.00 20.11 C ATOM 1145 O GLU A 81 1.598 11.973 -5.252 1.00 74.25 O ATOM 1146 CB GLU A 81 2.216 8.822 -6.236 1.00 35.52 C ATOM 1147 CG GLU A 81 3.455 7.899 -6.177 1.00 60.22 C ATOM 1148 CD GLU A 81 4.054 7.395 -7.510 1.00 33.32 C ATOM 1149 OE1 GLU A 81 3.474 7.633 -8.591 1.00 11.10 O ATOM 1150 OE2 GLU A 81 5.171 6.822 -7.459 1.00 14.40 O ATOM 0 H GLU A 81 1.473 7.811 -4.155 1.00 0.31 H new ATOM 0 HA GLU A 81 3.107 10.088 -4.755 1.00 12.00 H new ATOM 0 HB2 GLU A 81 1.312 8.228 -6.368 1.00 35.52 H new ATOM 0 HB3 GLU A 81 2.287 9.490 -7.095 1.00 35.52 H new ATOM 0 HG2 GLU A 81 4.240 8.430 -5.639 1.00 60.22 H new ATOM 0 HG3 GLU A 81 3.192 7.026 -5.579 1.00 60.22 H new ATOM 1155 N GLN A 82 -0.112 10.652 -4.630 1.00 33.32 N ATOM 1156 CA GLN A 82 -1.098 11.711 -4.456 1.00 54.04 C ATOM 1157 C GLN A 82 -0.783 12.642 -3.272 1.00 23.23 C ATOM 1158 O GLN A 82 -1.389 13.714 -3.208 1.00 13.22 O ATOM 1159 CB GLN A 82 -2.528 11.139 -4.320 1.00 63.41 C ATOM 1160 CG GLN A 82 -3.274 10.978 -5.655 1.00 34.53 C ATOM 1161 CD GLN A 82 -3.189 9.576 -6.254 1.00 22.22 C ATOM 1162 OE1 GLN A 82 -3.784 8.633 -5.733 1.00 41.41 O ATOM 1163 NE2 GLN A 82 -2.521 9.419 -7.386 1.00 41.32 N ATOM 0 H GLN A 82 -0.491 9.723 -4.446 1.00 33.32 H new ATOM 0 HA GLN A 82 -1.044 12.315 -5.362 1.00 54.04 H new ATOM 0 HB2 GLN A 82 -2.473 10.168 -3.828 1.00 63.41 H new ATOM 0 HB3 GLN A 82 -3.108 11.793 -3.669 1.00 63.41 H new ATOM 0 HG2 GLN A 82 -4.323 11.234 -5.505 1.00 34.53 H new ATOM 0 HG3 GLN A 82 -2.871 11.693 -6.372 1.00 34.53 H new ATOM 0 HE21 GLN A 82 -2.033 10.211 -7.804 1.00 41.32 H new ATOM 0 HE22 GLN A 82 -2.494 8.506 -7.840 1.00 41.32 H new ATOM 1170 N GLU A 83 0.152 12.308 -2.373 1.00 1.11 N ATOM 1171 CA GLU A 83 0.530 13.197 -1.275 1.00 12.41 C ATOM 1172 C GLU A 83 1.623 14.171 -1.708 1.00 14.01 C ATOM 1173 O GLU A 83 1.619 15.315 -1.267 1.00 43.41 O ATOM 1174 CB GLU A 83 0.989 12.421 -0.026 1.00 73.34 C ATOM 1175 CG GLU A 83 -0.033 11.423 0.538 1.00 53.43 C ATOM 1176 CD GLU A 83 -1.299 12.080 1.111 1.00 31.42 C ATOM 1177 OE1 GLU A 83 -1.962 12.893 0.439 1.00 41.14 O ATOM 1178 OE2 GLU A 83 -1.633 11.814 2.294 1.00 24.11 O ATOM 0 H GLU A 83 0.660 11.424 -2.388 1.00 1.11 H new ATOM 0 HA GLU A 83 -0.366 13.759 -1.010 1.00 12.41 H new ATOM 0 HB2 GLU A 83 1.904 11.881 -0.270 1.00 73.34 H new ATOM 0 HB3 GLU A 83 1.241 13.138 0.755 1.00 73.34 H new ATOM 0 HG2 GLU A 83 -0.322 10.729 -0.252 1.00 53.43 H new ATOM 0 HG3 GLU A 83 0.444 10.834 1.321 1.00 53.43 H new ATOM 1183 N GLN A 84 2.553 13.776 -2.577 1.00 23.20 N ATOM 1184 CA GLN A 84 3.661 14.664 -2.934 1.00 13.22 C ATOM 1185 C GLN A 84 3.168 15.884 -3.718 1.00 21.53 C ATOM 1186 O GLN A 84 3.631 16.990 -3.457 1.00 34.12 O ATOM 1187 CB GLN A 84 4.742 13.892 -3.694 1.00 73.54 C ATOM 1188 CG GLN A 84 5.747 13.246 -2.730 1.00 24.32 C ATOM 1189 CD GLN A 84 5.104 12.090 -1.988 1.00 3.21 C ATOM 1190 OE1 GLN A 84 4.866 12.151 -0.790 1.00 1.41 O ATOM 1191 NE2 GLN A 84 4.775 11.033 -2.704 1.00 20.42 N ATOM 0 H GLN A 84 2.564 12.867 -3.039 1.00 23.20 H new ATOM 0 HA GLN A 84 4.109 15.042 -2.015 1.00 13.22 H new ATOM 0 HB2 GLN A 84 4.277 13.121 -4.309 1.00 73.54 H new ATOM 0 HB3 GLN A 84 5.266 14.567 -4.371 1.00 73.54 H new ATOM 0 HG2 GLN A 84 6.616 12.891 -3.285 1.00 24.32 H new ATOM 0 HG3 GLN A 84 6.105 13.989 -2.017 1.00 24.32 H new ATOM 0 HE21 GLN A 84 4.985 11.007 -3.702 1.00 20.42 H new ATOM 0 HE22 GLN A 84 4.311 10.241 -2.260 1.00 20.42 H new ATOM 1198 N GLN A 85 2.170 15.701 -4.589 1.00 75.42 N ATOM 1199 CA GLN A 85 1.544 16.768 -5.379 1.00 74.54 C ATOM 1200 C GLN A 85 0.840 17.836 -4.528 1.00 13.31 C ATOM 1201 O GLN A 85 0.338 18.820 -5.074 1.00 72.34 O ATOM 1202 CB GLN A 85 0.552 16.171 -6.392 1.00 1.11 C ATOM 1203 CG GLN A 85 -0.466 15.285 -5.668 1.00 13.40 C ATOM 1204 CD GLN A 85 -1.793 15.082 -6.381 1.00 0.02 C ATOM 1205 OE1 GLN A 85 -1.992 15.409 -7.546 1.00 3.24 O ATOM 1206 NE2 GLN A 85 -2.730 14.517 -5.644 1.00 12.04 N ATOM 0 H GLN A 85 1.764 14.783 -4.769 1.00 75.42 H new ATOM 0 HA GLN A 85 2.357 17.273 -5.900 1.00 74.54 H new ATOM 0 HB2 GLN A 85 0.037 16.971 -6.924 1.00 1.11 H new ATOM 0 HB3 GLN A 85 1.089 15.586 -7.139 1.00 1.11 H new ATOM 0 HG2 GLN A 85 -0.013 14.308 -5.498 1.00 13.40 H new ATOM 0 HG3 GLN A 85 -0.665 15.719 -4.688 1.00 13.40 H new ATOM 0 HE21 GLN A 85 -2.531 14.257 -4.678 1.00 12.04 H new ATOM 0 HE22 GLN A 85 -3.653 14.340 -6.040 1.00 12.04 H new ATOM 1213 N ARG A 86 0.718 17.630 -3.215 1.00 52.25 N ATOM 1214 CA ARG A 86 0.203 18.614 -2.267 1.00 71.32 C ATOM 1215 C ARG A 86 1.293 19.012 -1.280 1.00 23.41 C ATOM 1216 O ARG A 86 1.512 20.213 -1.078 1.00 42.42 O ATOM 1217 CB ARG A 86 -1.092 18.107 -1.602 1.00 14.01 C ATOM 1218 CG ARG A 86 -1.032 16.676 -1.044 1.00 43.12 C ATOM 1219 CD ARG A 86 -2.394 16.154 -0.593 1.00 22.21 C ATOM 1220 NE ARG A 86 -2.827 16.803 0.649 1.00 11.24 N ATOM 1221 CZ ARG A 86 -3.009 16.247 1.849 1.00 64.41 C ATOM 1222 NH1 ARG A 86 -2.772 14.960 2.067 1.00 21.33 N ATOM 1223 NH2 ARG A 86 -3.469 17.000 2.839 1.00 54.44 N ATOM 0 H ARG A 86 0.982 16.750 -2.772 1.00 52.25 H new ATOM 0 HA ARG A 86 -0.077 19.525 -2.795 1.00 71.32 H new ATOM 0 HB2 ARG A 86 -1.352 18.785 -0.789 1.00 14.01 H new ATOM 0 HB3 ARG A 86 -1.900 18.160 -2.332 1.00 14.01 H new ATOM 0 HG2 ARG A 86 -0.629 16.011 -1.808 1.00 43.12 H new ATOM 0 HG3 ARG A 86 -0.341 16.649 -0.201 1.00 43.12 H new ATOM 0 HD2 ARG A 86 -3.132 16.332 -1.375 1.00 22.21 H new ATOM 0 HD3 ARG A 86 -2.342 15.076 -0.444 1.00 22.21 H new ATOM 0 HE ARG A 86 -3.012 17.804 0.588 1.00 11.24 H new ATOM 0 HH11 ARG A 86 -2.441 14.366 1.306 1.00 21.33 H new ATOM 0 HH12 ARG A 86 -2.921 14.564 2.995 1.00 21.33 H new ATOM 0 HH21 ARG A 86 -3.677 17.985 2.676 1.00 54.44 H new ATOM 0 HH22 ARG A 86 -3.615 16.594 3.763 1.00 54.44 H new ATOM 1234 N ASN A 87 1.984 18.043 -0.675 1.00 53.25 N ATOM 1235 CA ASN A 87 3.022 18.249 0.320 1.00 12.31 C ATOM 1236 C ASN A 87 4.284 17.465 -0.037 1.00 71.12 C ATOM 1237 O ASN A 87 4.480 16.337 0.413 1.00 20.13 O ATOM 1238 CB ASN A 87 2.535 18.019 1.769 1.00 3.40 C ATOM 1239 CG ASN A 87 1.668 16.792 2.031 1.00 53.24 C ATOM 1240 OD1 ASN A 87 0.590 16.896 2.605 1.00 23.34 O ATOM 1241 ND2 ASN A 87 2.092 15.608 1.650 1.00 32.20 N ATOM 0 H ASN A 87 1.824 17.056 -0.878 1.00 53.25 H new ATOM 0 HA ASN A 87 3.290 19.305 0.295 1.00 12.31 H new ATOM 0 HB2 ASN A 87 3.412 17.956 2.413 1.00 3.40 H new ATOM 0 HB3 ASN A 87 1.974 18.900 2.080 1.00 3.40 H new ATOM 0 HD21 ASN A 87 1.525 14.780 1.832 1.00 32.20 H new ATOM 0 HD22 ASN A 87 2.988 15.517 1.172 1.00 32.20 H new ATOM 1247 N GLU A 88 5.203 18.119 -0.751 1.00 74.23 N ATOM 1248 CA GLU A 88 6.581 17.678 -0.980 1.00 1.13 C ATOM 1249 C GLU A 88 7.352 17.424 0.322 1.00 40.03 C ATOM 1250 O GLU A 88 8.391 16.759 0.302 1.00 74.43 O ATOM 1251 CB GLU A 88 7.340 18.771 -1.753 1.00 31.21 C ATOM 1252 CG GLU A 88 7.086 18.754 -3.264 1.00 61.42 C ATOM 1253 CD GLU A 88 8.419 18.789 -4.013 1.00 71.23 C ATOM 1254 OE1 GLU A 88 9.144 17.766 -3.974 1.00 41.24 O ATOM 1255 OE2 GLU A 88 8.798 19.846 -4.573 1.00 60.41 O ATOM 0 H GLU A 88 4.998 19.009 -1.205 1.00 74.23 H new ATOM 0 HA GLU A 88 6.520 16.742 -1.536 1.00 1.13 H new ATOM 0 HB2 GLU A 88 7.055 19.746 -1.358 1.00 31.21 H new ATOM 0 HB3 GLU A 88 8.409 18.654 -1.573 1.00 31.21 H new ATOM 0 HG2 GLU A 88 6.528 17.859 -3.538 1.00 61.42 H new ATOM 0 HG3 GLU A 88 6.475 19.611 -3.549 1.00 61.42 H new ATOM 1260 N ASN A 89 6.864 17.975 1.435 1.00 24.33 N ATOM 1261 CA ASN A 89 7.429 17.867 2.777 1.00 43.13 C ATOM 1262 C ASN A 89 7.009 16.557 3.457 1.00 0.00 C ATOM 1263 O ASN A 89 7.062 16.471 4.682 1.00 42.42 O ATOM 1264 CB ASN A 89 7.020 19.097 3.616 1.00 32.32 C ATOM 1265 CG ASN A 89 7.726 20.358 3.145 1.00 35.54 C ATOM 1266 OD1 ASN A 89 8.783 20.715 3.656 1.00 11.00 O ATOM 1267 ND2 ASN A 89 7.190 21.043 2.152 1.00 55.25 N ATOM 0 H ASN A 89 6.015 18.540 1.421 1.00 24.33 H new ATOM 0 HA ASN A 89 8.516 17.847 2.698 1.00 43.13 H new ATOM 0 HB2 ASN A 89 5.941 19.239 3.552 1.00 32.32 H new ATOM 0 HB3 ASN A 89 7.257 18.917 4.665 1.00 32.32 H new ATOM 0 HD21 ASN A 89 7.655 21.880 1.800 1.00 55.25 H new ATOM 0 HD22 ASN A 89 6.311 20.735 1.736 1.00 55.25 H new ATOM 1273 N ASN A 90 6.558 15.540 2.713 1.00 1.32 N ATOM 1274 CA ASN A 90 6.155 14.258 3.285 1.00 2.44 C ATOM 1275 C ASN A 90 7.023 13.125 2.736 1.00 33.51 C ATOM 1276 O ASN A 90 6.587 12.355 1.878 1.00 12.32 O ATOM 1277 CB ASN A 90 4.656 14.008 3.092 1.00 0.32 C ATOM 1278 CG ASN A 90 4.228 12.734 3.808 1.00 55.35 C ATOM 1279 OD1 ASN A 90 4.888 12.253 4.722 1.00 20.32 O ATOM 1280 ND2 ASN A 90 3.111 12.157 3.416 1.00 74.52 N ATOM 0 H ASN A 90 6.464 15.587 1.698 1.00 1.32 H new ATOM 0 HA ASN A 90 6.321 14.290 4.362 1.00 2.44 H new ATOM 0 HB2 ASN A 90 4.088 14.856 3.476 1.00 0.32 H new ATOM 0 HB3 ASN A 90 4.429 13.928 2.029 1.00 0.32 H new ATOM 0 HD21 ASN A 90 2.790 11.304 3.874 1.00 74.52 H new ATOM 0 HD22 ASN A 90 2.567 12.563 2.655 1.00 74.52 H new ATOM 1286 N PRO A 91 8.259 12.971 3.241 1.00 53.44 N ATOM 1287 CA PRO A 91 9.165 11.921 2.790 1.00 15.03 C ATOM 1288 C PRO A 91 8.608 10.524 3.075 1.00 42.11 C ATOM 1289 O PRO A 91 9.002 9.577 2.399 1.00 35.14 O ATOM 1290 CB PRO A 91 10.476 12.154 3.555 1.00 75.25 C ATOM 1291 CG PRO A 91 10.038 12.927 4.800 1.00 55.12 C ATOM 1292 CD PRO A 91 8.861 13.752 4.310 1.00 14.11 C ATOM 0 HA PRO A 91 9.308 11.965 1.710 1.00 15.03 H new ATOM 0 HB2 PRO A 91 10.959 11.213 3.818 1.00 75.25 H new ATOM 0 HB3 PRO A 91 11.190 12.724 2.961 1.00 75.25 H new ATOM 0 HG2 PRO A 91 9.748 12.255 5.608 1.00 55.12 H new ATOM 0 HG3 PRO A 91 10.839 13.559 5.183 1.00 55.12 H new ATOM 0 HD2 PRO A 91 8.147 13.934 5.113 1.00 14.11 H new ATOM 0 HD3 PRO A 91 9.188 14.727 3.948 1.00 14.11 H new ATOM 1297 N THR A 92 7.706 10.387 4.050 1.00 32.11 N ATOM 1298 CA THR A 92 7.088 9.136 4.434 1.00 35.12 C ATOM 1299 C THR A 92 6.354 8.569 3.222 1.00 2.22 C ATOM 1300 O THR A 92 6.744 7.518 2.721 1.00 13.12 O ATOM 1301 CB THR A 92 6.195 9.409 5.653 1.00 75.12 C ATOM 1302 OG1 THR A 92 6.978 10.030 6.658 1.00 4.24 O ATOM 1303 CG2 THR A 92 5.541 8.161 6.231 1.00 64.11 C ATOM 0 H THR A 92 7.381 11.177 4.607 1.00 32.11 H new ATOM 0 HA THR A 92 7.808 8.376 4.735 1.00 35.12 H new ATOM 0 HB THR A 92 5.384 10.053 5.314 1.00 75.12 H new ATOM 0 HG1 THR A 92 6.419 10.212 7.442 1.00 4.24 H new ATOM 0 HG21 THR A 92 4.927 8.436 7.088 1.00 64.11 H new ATOM 0 HG22 THR A 92 4.915 7.693 5.471 1.00 64.11 H new ATOM 0 HG23 THR A 92 6.313 7.459 6.548 1.00 64.11 H new ATOM 1311 N ALA A 93 5.345 9.279 2.709 1.00 53.33 N ATOM 1312 CA ALA A 93 4.641 8.863 1.505 1.00 15.33 C ATOM 1313 C ALA A 93 5.619 8.703 0.339 1.00 42.45 C ATOM 1314 O ALA A 93 5.607 7.672 -0.330 1.00 72.23 O ATOM 1315 CB ALA A 93 3.550 9.890 1.190 1.00 61.11 C ATOM 0 H ALA A 93 5.000 10.149 3.116 1.00 53.33 H new ATOM 0 HA ALA A 93 4.173 7.892 1.665 1.00 15.33 H new ATOM 0 HB1 ALA A 93 3.016 9.588 0.289 1.00 61.11 H new ATOM 0 HB2 ALA A 93 2.851 9.946 2.025 1.00 61.11 H new ATOM 0 HB3 ALA A 93 4.005 10.868 1.032 1.00 61.11 H new ATOM 1321 N LYS A 94 6.506 9.678 0.123 1.00 0.33 N ATOM 1322 CA LYS A 94 7.444 9.675 -0.997 1.00 12.21 C ATOM 1323 C LYS A 94 8.227 8.369 -1.109 1.00 52.12 C ATOM 1324 O LYS A 94 8.233 7.742 -2.171 1.00 73.41 O ATOM 1325 CB LYS A 94 8.359 10.898 -0.872 1.00 35.51 C ATOM 1326 CG LYS A 94 9.064 11.202 -2.196 1.00 63.24 C ATOM 1327 CD LYS A 94 9.620 12.627 -2.204 1.00 60.55 C ATOM 1328 CE LYS A 94 10.822 12.805 -1.270 1.00 21.52 C ATOM 1329 NZ LYS A 94 12.101 12.386 -1.887 1.00 11.13 N ATOM 0 H LYS A 94 6.592 10.496 0.726 1.00 0.33 H new ATOM 0 HA LYS A 94 6.882 9.741 -1.928 1.00 12.21 H new ATOM 0 HB2 LYS A 94 7.773 11.763 -0.562 1.00 35.51 H new ATOM 0 HB3 LYS A 94 9.102 10.721 -0.094 1.00 35.51 H new ATOM 0 HG2 LYS A 94 9.875 10.490 -2.353 1.00 63.24 H new ATOM 0 HG3 LYS A 94 8.365 11.076 -3.022 1.00 63.24 H new ATOM 0 HD2 LYS A 94 9.914 12.891 -3.220 1.00 60.55 H new ATOM 0 HD3 LYS A 94 8.832 13.320 -1.910 1.00 60.55 H new ATOM 0 HE2 LYS A 94 10.893 13.852 -0.974 1.00 21.52 H new ATOM 0 HE3 LYS A 94 10.657 12.227 -0.361 1.00 21.52 H new ATOM 0 HZ1 LYS A 94 12.877 12.529 -1.209 1.00 11.13 H new ATOM 0 HZ2 LYS A 94 12.049 11.380 -2.146 1.00 11.13 H new ATOM 0 HZ3 LYS A 94 12.277 12.954 -2.740 1.00 11.13 H new ATOM 1339 N TYR A 95 8.895 7.962 -0.032 1.00 20.31 N ATOM 1340 CA TYR A 95 9.672 6.735 -0.024 1.00 1.34 C ATOM 1341 C TYR A 95 8.750 5.515 -0.149 1.00 54.31 C ATOM 1342 O TYR A 95 9.075 4.586 -0.893 1.00 55.05 O ATOM 1343 CB TYR A 95 10.523 6.676 1.259 1.00 21.14 C ATOM 1344 CG TYR A 95 11.786 7.525 1.215 1.00 55.21 C ATOM 1345 CD1 TYR A 95 12.773 7.298 0.231 1.00 31.20 C ATOM 1346 CD2 TYR A 95 12.000 8.523 2.185 1.00 12.10 C ATOM 1347 CE1 TYR A 95 13.934 8.081 0.195 1.00 4.40 C ATOM 1348 CE2 TYR A 95 13.173 9.299 2.168 1.00 33.11 C ATOM 1349 CZ TYR A 95 14.148 9.082 1.167 1.00 11.20 C ATOM 1350 OH TYR A 95 15.308 9.793 1.167 1.00 55.03 O ATOM 0 H TYR A 95 8.910 8.472 0.851 1.00 20.31 H new ATOM 0 HA TYR A 95 10.344 6.722 -0.882 1.00 1.34 H new ATOM 0 HB2 TYR A 95 9.911 6.999 2.101 1.00 21.14 H new ATOM 0 HB3 TYR A 95 10.803 5.640 1.448 1.00 21.14 H new ATOM 0 HD1 TYR A 95 12.632 6.515 -0.499 1.00 31.20 H new ATOM 0 HD2 TYR A 95 11.256 8.694 2.949 1.00 12.10 H new ATOM 0 HE1 TYR A 95 14.669 7.918 -0.580 1.00 4.40 H new ATOM 0 HE2 TYR A 95 13.329 10.060 2.919 1.00 33.11 H new ATOM 0 HH TYR A 95 15.294 10.442 1.901 1.00 55.03 H new ATOM 1359 N ARG A 96 7.599 5.479 0.539 1.00 3.34 N ATOM 1360 CA ARG A 96 6.648 4.372 0.421 1.00 0.43 C ATOM 1361 C ARG A 96 6.248 4.157 -1.028 1.00 11.41 C ATOM 1362 O ARG A 96 6.411 3.045 -1.511 1.00 4.13 O ATOM 1363 CB ARG A 96 5.404 4.602 1.288 1.00 23.13 C ATOM 1364 CG ARG A 96 5.751 4.511 2.770 1.00 40.03 C ATOM 1365 CD ARG A 96 4.580 4.830 3.693 1.00 72.42 C ATOM 1366 NE ARG A 96 5.033 4.810 5.087 1.00 51.12 N ATOM 1367 CZ ARG A 96 4.301 4.545 6.169 1.00 20.23 C ATOM 1368 NH1 ARG A 96 2.992 4.323 6.103 1.00 71.42 N ATOM 1369 NH2 ARG A 96 4.930 4.502 7.332 1.00 74.25 N ATOM 0 H ARG A 96 7.306 6.211 1.186 1.00 3.34 H new ATOM 0 HA ARG A 96 7.148 3.474 0.783 1.00 0.43 H new ATOM 0 HB2 ARG A 96 4.979 5.582 1.069 1.00 23.13 H new ATOM 0 HB3 ARG A 96 4.642 3.862 1.042 1.00 23.13 H new ATOM 0 HG2 ARG A 96 6.112 3.506 2.989 1.00 40.03 H new ATOM 0 HG3 ARG A 96 6.570 5.197 2.985 1.00 40.03 H new ATOM 0 HD2 ARG A 96 4.167 5.809 3.448 1.00 72.42 H new ATOM 0 HD3 ARG A 96 3.782 4.102 3.549 1.00 72.42 H new ATOM 0 HE ARG A 96 6.018 5.022 5.247 1.00 51.12 H new ATOM 0 HH11 ARG A 96 2.515 4.352 5.202 1.00 71.42 H new ATOM 0 HH12 ARG A 96 2.465 4.123 6.953 1.00 71.42 H new ATOM 0 HH21 ARG A 96 5.935 4.668 7.374 1.00 74.25 H new ATOM 0 HH22 ARG A 96 4.410 4.303 8.186 1.00 74.25 H new ATOM 1380 N ALA A 97 5.784 5.191 -1.727 1.00 42.25 N ATOM 1381 CA ALA A 97 5.375 5.119 -3.118 1.00 61.44 C ATOM 1382 C ALA A 97 6.473 4.467 -3.946 1.00 52.43 C ATOM 1383 O ALA A 97 6.227 3.490 -4.652 1.00 3.14 O ATOM 1384 CB ALA A 97 5.120 6.535 -3.626 1.00 74.52 C ATOM 0 H ALA A 97 5.682 6.123 -1.326 1.00 42.25 H new ATOM 0 HA ALA A 97 4.467 4.523 -3.206 1.00 61.44 H new ATOM 0 HB1 ALA A 97 4.812 6.497 -4.671 1.00 74.52 H new ATOM 0 HB2 ALA A 97 4.332 6.998 -3.032 1.00 74.52 H new ATOM 0 HB3 ALA A 97 6.034 7.123 -3.539 1.00 74.52 H new ATOM 1390 N ARG A 98 7.698 4.989 -3.834 1.00 62.31 N ATOM 1391 CA ARG A 98 8.813 4.499 -4.626 1.00 4.02 C ATOM 1392 C ARG A 98 9.123 3.032 -4.348 1.00 32.22 C ATOM 1393 O ARG A 98 9.469 2.299 -5.276 1.00 41.01 O ATOM 1394 CB ARG A 98 10.032 5.417 -4.413 1.00 15.21 C ATOM 1395 CG ARG A 98 10.316 6.206 -5.695 1.00 2.32 C ATOM 1396 CD ARG A 98 10.962 7.565 -5.443 1.00 43.15 C ATOM 1397 NE ARG A 98 11.152 8.259 -6.739 1.00 13.32 N ATOM 1398 CZ ARG A 98 11.113 9.580 -6.981 1.00 11.04 C ATOM 1399 NH1 ARG A 98 11.036 10.460 -5.987 1.00 43.14 N ATOM 1400 NH2 ARG A 98 11.170 10.032 -8.229 1.00 32.44 N ATOM 0 H ARG A 98 7.936 5.752 -3.200 1.00 62.31 H new ATOM 0 HA ARG A 98 8.537 4.534 -5.680 1.00 4.02 H new ATOM 0 HB2 ARG A 98 9.843 6.103 -3.587 1.00 15.21 H new ATOM 0 HB3 ARG A 98 10.904 4.822 -4.140 1.00 15.21 H new ATOM 0 HG2 ARG A 98 10.969 5.616 -6.338 1.00 2.32 H new ATOM 0 HG3 ARG A 98 9.382 6.352 -6.237 1.00 2.32 H new ATOM 0 HD2 ARG A 98 10.333 8.164 -4.784 1.00 43.15 H new ATOM 0 HD3 ARG A 98 11.921 7.438 -4.940 1.00 43.15 H new ATOM 0 HE ARG A 98 11.335 7.661 -7.545 1.00 13.32 H new ATOM 0 HH11 ARG A 98 11.006 10.136 -5.020 1.00 43.14 H new ATOM 0 HH12 ARG A 98 11.007 11.459 -6.191 1.00 43.14 H new ATOM 0 HH21 ARG A 98 11.244 9.376 -9.006 1.00 32.44 H new ATOM 0 HH22 ARG A 98 11.140 11.035 -8.410 1.00 32.44 H new ATOM 1411 N LEU A 99 8.985 2.600 -3.092 1.00 4.31 N ATOM 1412 CA LEU A 99 9.122 1.207 -2.691 1.00 13.31 C ATOM 1413 C LEU A 99 8.074 0.362 -3.416 1.00 14.43 C ATOM 1414 O LEU A 99 8.427 -0.571 -4.130 1.00 3.13 O ATOM 1415 CB LEU A 99 9.023 1.103 -1.157 1.00 51.31 C ATOM 1416 CG LEU A 99 9.071 -0.314 -0.559 1.00 64.34 C ATOM 1417 CD1 LEU A 99 10.159 -1.204 -1.146 1.00 52.15 C ATOM 1418 CD2 LEU A 99 9.331 -0.183 0.946 1.00 15.20 C ATOM 0 H LEU A 99 8.771 3.224 -2.314 1.00 4.31 H new ATOM 0 HA LEU A 99 10.099 0.817 -2.976 1.00 13.31 H new ATOM 0 HB2 LEU A 99 9.837 1.684 -0.723 1.00 51.31 H new ATOM 0 HB3 LEU A 99 8.092 1.574 -0.843 1.00 51.31 H new ATOM 0 HG LEU A 99 8.117 -0.786 -0.792 1.00 64.34 H new ATOM 0 HD11 LEU A 99 10.124 -2.184 -0.670 1.00 52.15 H new ATOM 0 HD12 LEU A 99 9.999 -1.315 -2.218 1.00 52.15 H new ATOM 0 HD13 LEU A 99 11.134 -0.750 -0.970 1.00 52.15 H new ATOM 0 HD21 LEU A 99 9.370 -1.175 1.396 1.00 15.20 H new ATOM 0 HD22 LEU A 99 10.281 0.327 1.108 1.00 15.20 H new ATOM 0 HD23 LEU A 99 8.527 0.393 1.405 1.00 15.20 H new ATOM 1429 N MET A 100 6.796 0.714 -3.263 1.00 35.42 N ATOM 1430 CA MET A 100 5.676 0.005 -3.879 1.00 33.41 C ATOM 1431 C MET A 100 5.861 -0.114 -5.399 1.00 64.31 C ATOM 1432 O MET A 100 5.736 -1.205 -5.949 1.00 43.35 O ATOM 1433 CB MET A 100 4.339 0.699 -3.574 1.00 74.34 C ATOM 1434 CG MET A 100 4.013 1.105 -2.129 1.00 61.45 C ATOM 1435 SD MET A 100 4.614 0.093 -0.747 1.00 12.34 S ATOM 1436 CE MET A 100 3.821 -1.479 -1.149 1.00 0.23 C ATOM 0 H MET A 100 6.507 1.513 -2.698 1.00 35.42 H new ATOM 0 HA MET A 100 5.656 -0.996 -3.448 1.00 33.41 H new ATOM 0 HB2 MET A 100 4.291 1.600 -4.186 1.00 74.34 H new ATOM 0 HB3 MET A 100 3.542 0.039 -3.916 1.00 74.34 H new ATOM 0 HG2 MET A 100 4.395 2.115 -1.982 1.00 61.45 H new ATOM 0 HG3 MET A 100 2.928 1.159 -2.044 1.00 61.45 H new ATOM 0 HE1 MET A 100 3.553 -1.997 -0.228 1.00 0.23 H new ATOM 0 HE2 MET A 100 2.921 -1.293 -1.736 1.00 0.23 H new ATOM 0 HE3 MET A 100 4.509 -2.097 -1.726 1.00 0.23 H new ATOM 1444 N LYS A 101 6.225 0.986 -6.064 1.00 35.12 N ATOM 1445 CA LYS A 101 6.491 1.056 -7.500 1.00 52.02 C ATOM 1446 C LYS A 101 7.488 -0.006 -7.940 1.00 60.43 C ATOM 1447 O LYS A 101 7.254 -0.707 -8.922 1.00 33.22 O ATOM 1448 CB LYS A 101 6.951 2.487 -7.813 1.00 4.11 C ATOM 1449 CG LYS A 101 7.280 2.774 -9.290 1.00 22.22 C ATOM 1450 CD LYS A 101 6.741 4.142 -9.727 1.00 40.13 C ATOM 1451 CE LYS A 101 7.682 4.831 -10.712 1.00 55.34 C ATOM 1452 NZ LYS A 101 7.293 6.234 -10.932 1.00 60.13 N ATOM 0 H LYS A 101 6.347 1.885 -5.598 1.00 35.12 H new ATOM 0 HA LYS A 101 5.588 0.839 -8.071 1.00 52.02 H new ATOM 0 HB2 LYS A 101 6.171 3.178 -7.492 1.00 4.11 H new ATOM 0 HB3 LYS A 101 7.835 2.704 -7.214 1.00 4.11 H new ATOM 0 HG2 LYS A 101 8.360 2.743 -9.437 1.00 22.22 H new ATOM 0 HG3 LYS A 101 6.850 1.994 -9.918 1.00 22.22 H new ATOM 0 HD2 LYS A 101 5.761 4.017 -10.187 1.00 40.13 H new ATOM 0 HD3 LYS A 101 6.604 4.776 -8.851 1.00 40.13 H new ATOM 0 HE2 LYS A 101 8.703 4.790 -10.332 1.00 55.34 H new ATOM 0 HE3 LYS A 101 7.673 4.296 -11.662 1.00 55.34 H new ATOM 0 HZ1 LYS A 101 7.951 6.675 -11.606 1.00 60.13 H new ATOM 0 HZ2 LYS A 101 6.328 6.270 -11.317 1.00 60.13 H new ATOM 0 HZ3 LYS A 101 7.325 6.749 -10.029 1.00 60.13 H new ATOM 1462 N LYS A 102 8.579 -0.144 -7.191 1.00 75.24 N ATOM 1463 CA LYS A 102 9.622 -1.140 -7.441 1.00 72.34 C ATOM 1464 C LYS A 102 9.123 -2.569 -7.258 1.00 73.12 C ATOM 1465 O LYS A 102 9.585 -3.469 -7.952 1.00 31.54 O ATOM 1466 CB LYS A 102 10.831 -0.891 -6.533 1.00 21.20 C ATOM 1467 CG LYS A 102 12.114 -1.015 -7.363 1.00 33.34 C ATOM 1468 CD LYS A 102 13.355 -0.582 -6.584 1.00 72.25 C ATOM 1469 CE LYS A 102 14.639 -0.963 -7.322 1.00 43.41 C ATOM 1470 NZ LYS A 102 14.829 -0.168 -8.548 1.00 31.30 N ATOM 0 H LYS A 102 8.768 0.443 -6.378 1.00 75.24 H new ATOM 0 HA LYS A 102 9.918 -1.029 -8.484 1.00 72.34 H new ATOM 0 HB2 LYS A 102 10.767 0.101 -6.085 1.00 21.20 H new ATOM 0 HB3 LYS A 102 10.841 -1.611 -5.714 1.00 21.20 H new ATOM 0 HG2 LYS A 102 12.235 -2.048 -7.688 1.00 33.34 H new ATOM 0 HG3 LYS A 102 12.022 -0.406 -8.262 1.00 33.34 H new ATOM 0 HD2 LYS A 102 13.330 0.496 -6.427 1.00 72.25 H new ATOM 0 HD3 LYS A 102 13.348 -1.047 -5.598 1.00 72.25 H new ATOM 0 HE2 LYS A 102 15.493 -0.819 -6.661 1.00 43.41 H new ATOM 0 HE3 LYS A 102 14.609 -2.022 -7.578 1.00 43.41 H new ATOM 0 HZ1 LYS A 102 15.711 -0.458 -9.017 1.00 31.30 H new ATOM 0 HZ2 LYS A 102 14.027 -0.325 -9.191 1.00 31.30 H new ATOM 0 HZ3 LYS A 102 14.884 0.841 -8.302 1.00 31.30 H new ATOM 1480 N ILE A 103 8.205 -2.799 -6.325 1.00 63.54 N ATOM 1481 CA ILE A 103 7.628 -4.117 -6.104 1.00 61.24 C ATOM 1482 C ILE A 103 6.760 -4.464 -7.325 1.00 33.42 C ATOM 1483 O ILE A 103 6.896 -5.560 -7.865 1.00 34.24 O ATOM 1484 CB ILE A 103 6.912 -4.125 -4.731 1.00 44.01 C ATOM 1485 CG1 ILE A 103 7.960 -3.995 -3.595 1.00 0.33 C ATOM 1486 CG2 ILE A 103 6.078 -5.395 -4.516 1.00 1.41 C ATOM 1487 CD1 ILE A 103 7.360 -3.561 -2.253 1.00 71.52 C ATOM 0 H ILE A 103 7.842 -2.077 -5.703 1.00 63.54 H new ATOM 0 HA ILE A 103 8.371 -4.912 -6.034 1.00 61.24 H new ATOM 0 HB ILE A 103 6.229 -3.276 -4.715 1.00 44.01 H new ATOM 0 HG12 ILE A 103 8.464 -4.953 -3.465 1.00 0.33 H new ATOM 0 HG13 ILE A 103 8.720 -3.273 -3.894 1.00 0.33 H new ATOM 0 HG21 ILE A 103 5.596 -5.353 -3.539 1.00 1.41 H new ATOM 0 HG22 ILE A 103 5.317 -5.467 -5.293 1.00 1.41 H new ATOM 0 HG23 ILE A 103 6.728 -6.269 -4.562 1.00 1.41 H new ATOM 0 HD11 ILE A 103 8.151 -3.491 -1.506 1.00 71.52 H new ATOM 0 HD12 ILE A 103 6.881 -2.588 -2.366 1.00 71.52 H new ATOM 0 HD13 ILE A 103 6.621 -4.294 -1.931 1.00 71.52 H new ATOM 1498 N ALA A 104 5.935 -3.532 -7.817 1.00 21.53 N ATOM 1499 CA ALA A 104 5.127 -3.725 -9.023 1.00 44.23 C ATOM 1500 C ALA A 104 5.965 -3.802 -10.311 1.00 55.44 C ATOM 1501 O ALA A 104 5.451 -4.199 -11.360 1.00 62.15 O ATOM 1502 CB ALA A 104 4.092 -2.599 -9.106 1.00 52.01 C ATOM 0 H ALA A 104 5.810 -2.617 -7.385 1.00 21.53 H new ATOM 0 HA ALA A 104 4.629 -4.691 -8.943 1.00 44.23 H new ATOM 0 HB1 ALA A 104 3.483 -2.730 -10.000 1.00 52.01 H new ATOM 0 HB2 ALA A 104 3.452 -2.627 -8.224 1.00 52.01 H new ATOM 0 HB3 ALA A 104 4.603 -1.638 -9.153 1.00 52.01 H new ATOM 1508 N ASP A 105 7.243 -3.430 -10.251 1.00 15.23 N ATOM 1509 CA ASP A 105 8.227 -3.529 -11.328 1.00 44.23 C ATOM 1510 C ASP A 105 8.593 -5.009 -11.495 1.00 34.22 C ATOM 1511 O ASP A 105 8.520 -5.582 -12.584 1.00 55.05 O ATOM 1512 CB ASP A 105 9.462 -2.696 -10.920 1.00 2.22 C ATOM 1513 CG ASP A 105 10.322 -2.120 -12.038 1.00 53.45 C ATOM 1514 OD1 ASP A 105 10.581 -2.786 -13.072 1.00 24.41 O ATOM 1515 OD2 ASP A 105 10.857 -1.011 -11.822 1.00 52.34 O ATOM 0 H ASP A 105 7.642 -3.029 -9.402 1.00 15.23 H new ATOM 0 HA ASP A 105 7.840 -3.149 -12.274 1.00 44.23 H new ATOM 0 HB2 ASP A 105 9.119 -1.869 -10.299 1.00 2.22 H new ATOM 0 HB3 ASP A 105 10.098 -3.322 -10.294 1.00 2.22 H new ATOM 1519 N LEU A 106 8.946 -5.650 -10.379 1.00 15.24 N ATOM 1520 CA LEU A 106 9.487 -7.004 -10.283 1.00 22.10 C ATOM 1521 C LEU A 106 8.397 -8.054 -10.057 1.00 3.01 C ATOM 1522 O LEU A 106 8.701 -9.172 -9.638 1.00 3.42 O ATOM 1523 CB LEU A 106 10.539 -7.025 -9.158 1.00 1.44 C ATOM 1524 CG LEU A 106 11.778 -6.155 -9.429 1.00 43.13 C ATOM 1525 CD1 LEU A 106 12.534 -5.925 -8.119 1.00 71.55 C ATOM 1526 CD2 LEU A 106 12.715 -6.806 -10.450 1.00 74.12 C ATOM 0 H LEU A 106 8.856 -5.209 -9.464 1.00 15.24 H new ATOM 0 HA LEU A 106 9.954 -7.269 -11.232 1.00 22.10 H new ATOM 0 HB2 LEU A 106 10.070 -6.690 -8.233 1.00 1.44 H new ATOM 0 HB3 LEU A 106 10.861 -8.054 -8.998 1.00 1.44 H new ATOM 0 HG LEU A 106 11.438 -5.205 -9.842 1.00 43.13 H new ATOM 0 HD11 LEU A 106 13.413 -5.309 -8.309 1.00 71.55 H new ATOM 0 HD12 LEU A 106 11.882 -5.418 -7.407 1.00 71.55 H new ATOM 0 HD13 LEU A 106 12.846 -6.884 -7.706 1.00 71.55 H new ATOM 0 HD21 LEU A 106 13.578 -6.161 -10.615 1.00 74.12 H new ATOM 0 HD22 LEU A 106 13.050 -7.772 -10.072 1.00 74.12 H new ATOM 0 HD23 LEU A 106 12.184 -6.949 -11.391 1.00 74.12 H new ATOM 1537 N TRP A 107 7.132 -7.706 -10.295 1.00 13.41 N ATOM 1538 CA TRP A 107 6.020 -8.625 -10.098 1.00 52.35 C ATOM 1539 C TRP A 107 6.114 -9.825 -11.032 1.00 3.44 C ATOM 1540 O TRP A 107 6.763 -9.722 -12.092 1.00 51.15 O ATOM 1541 CB TRP A 107 4.672 -7.903 -10.248 1.00 51.44 C ATOM 1542 CG TRP A 107 3.570 -8.526 -9.448 1.00 40.02 C ATOM 1543 CD1 TRP A 107 2.496 -9.199 -9.920 1.00 61.21 C ATOM 1544 CD2 TRP A 107 3.398 -8.490 -8.003 1.00 3.33 C ATOM 1545 NE1 TRP A 107 1.729 -9.654 -8.869 1.00 3.13 N ATOM 1546 CE2 TRP A 107 2.199 -9.177 -7.668 1.00 42.13 C ATOM 1547 CE3 TRP A 107 4.109 -7.891 -6.944 1.00 24.42 C ATOM 1548 CZ2 TRP A 107 1.715 -9.234 -6.359 1.00 22.44 C ATOM 1549 CZ3 TRP A 107 3.614 -7.921 -5.625 1.00 3.14 C ATOM 1550 CH2 TRP A 107 2.409 -8.579 -5.332 1.00 15.23 C ATOM 0 H TRP A 107 6.854 -6.783 -10.628 1.00 13.41 H new ATOM 0 HA TRP A 107 6.083 -9.003 -9.078 1.00 52.35 H new ATOM 0 HB2 TRP A 107 4.789 -6.863 -9.942 1.00 51.44 H new ATOM 0 HB3 TRP A 107 4.387 -7.896 -11.300 1.00 51.44 H new ATOM 0 HD1 TRP A 107 2.273 -9.356 -10.965 1.00 61.21 H new ATOM 0 HE1 TRP A 107 0.918 -10.265 -8.969 1.00 3.13 H new ATOM 0 HE3 TRP A 107 5.050 -7.400 -7.147 1.00 24.42 H new ATOM 0 HZ2 TRP A 107 0.810 -9.780 -6.139 1.00 22.44 H new ATOM 0 HZ3 TRP A 107 4.165 -7.434 -4.834 1.00 3.14 H new ATOM 0 HH2 TRP A 107 2.020 -8.581 -4.324 1.00 15.23 H new