USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=15 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 87 ASN : amide:sc= 1.58 K(o=1.9,f=-0.38) USER MOD Set 1.2: A 90 ASN : amide:sc= 0.333 K(o=1.9,f=-4.9!) USER MOD Set 2.1: A 69 THR OG1 : rot 180:sc=-0.00246 USER MOD Set 2.2: A 72 MET CE :methyl -100:sc= -0.0505 (180deg=0) USER MOD Set 3.1: A 61 SER OG : rot 180:sc= 0.0252 USER MOD Set 3.2: A 64 LYS NZ :NH3+ -141:sc= 0.01 (180deg=-0.101) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 0.763 (180deg=0.762) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= -1.64 K(o=-1.6,f=-4.2!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 50 GLN : amide:sc= 0.504 K(o=0.5,f=-0.36) USER MOD Single : A 54 ASN : amide:sc= 0.152 X(o=0.15,f=-0.00058) USER MOD Single : A 56 GLN : amide:sc= 0.756 K(o=0.76,f=0) USER MOD Single : A 62 MET CE :methyl -158:sc= -0.204 (180deg=-0.853) USER MOD Single : A 65 LYS NZ :NH3+ -165:sc= -0.248 (180deg=-0.45) USER MOD Single : A 66 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.025) USER MOD Single : A 68 THR OG1 : rot 104:sc= 1.06 USER MOD Single : A 74 THR OG1 : rot 29:sc= 0.16 USER MOD Single : A 77 GLN : amide:sc= 0.447 K(o=0.45,f=-1.9!) USER MOD Single : A 80 TYR OH : rot 116:sc= 0.121 USER MOD Single : A 82 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.61) USER MOD Single : A 84 GLN : amide:sc= -1.43 K(o=-1.4,f=-2) USER MOD Single : A 85 GLN : amide:sc= 1.06 K(o=1.1,f=-0.34) USER MOD Single : A 89 ASN : amide:sc= -0.0457 X(o=-0.046,f=-0.32) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -127:sc= 0.392 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) 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 -11.602 2.442 2.409 1.00 55.22 N ATOM 280 CA VAL A 21 -11.075 1.300 3.133 1.00 22.21 C ATOM 281 C VAL A 21 -9.671 0.963 2.610 1.00 51.41 C ATOM 282 O VAL A 21 -9.370 1.182 1.435 1.00 51.31 O ATOM 283 CB VAL A 21 -12.039 0.111 2.962 1.00 13.23 C ATOM 284 CG1 VAL A 21 -11.822 -0.930 4.067 1.00 41.51 C ATOM 285 CG2 VAL A 21 -13.523 0.522 2.967 1.00 2.40 C ATOM 0 HA VAL A 21 -10.991 1.529 4.195 1.00 22.21 H new ATOM 0 HB VAL A 21 -11.809 -0.311 1.984 1.00 13.23 H new ATOM 0 HG11 VAL A 21 -12.514 -1.760 3.926 1.00 41.51 H new ATOM 0 HG12 VAL A 21 -10.798 -1.300 4.023 1.00 41.51 H new ATOM 0 HG13 VAL A 21 -12.000 -0.471 5.039 1.00 41.51 H new ATOM 0 HG21 VAL A 21 -14.146 -0.364 2.842 1.00 2.40 H new ATOM 0 HG22 VAL A 21 -13.764 1.005 3.914 1.00 2.40 H new ATOM 0 HG23 VAL A 21 -13.711 1.216 2.148 1.00 2.40 H new ATOM 295 N LEU A 22 -8.832 0.372 3.460 1.00 40.53 N ATOM 296 CA LEU A 22 -7.515 -0.137 3.080 1.00 0.40 C ATOM 297 C LEU A 22 -7.641 -1.341 2.131 1.00 44.23 C ATOM 298 O LEU A 22 -8.662 -2.033 2.182 1.00 54.53 O ATOM 299 CB LEU A 22 -6.752 -0.581 4.342 1.00 60.42 C ATOM 300 CG LEU A 22 -6.521 0.531 5.377 1.00 14.44 C ATOM 301 CD1 LEU A 22 -5.909 -0.051 6.653 1.00 44.11 C ATOM 302 CD2 LEU A 22 -5.623 1.644 4.850 1.00 43.52 C ATOM 0 H LEU A 22 -9.051 0.231 4.446 1.00 40.53 H new ATOM 0 HA LEU A 22 -6.977 0.662 2.569 1.00 0.40 H new ATOM 0 HB2 LEU A 22 -7.304 -1.392 4.817 1.00 60.42 H new ATOM 0 HB3 LEU A 22 -5.786 -0.986 4.042 1.00 60.42 H new ATOM 0 HG LEU A 22 -7.497 0.966 5.593 1.00 14.44 H new ATOM 0 HD11 LEU A 22 -5.751 0.748 7.378 1.00 44.11 H new ATOM 0 HD12 LEU A 22 -6.585 -0.795 7.075 1.00 44.11 H new ATOM 0 HD13 LEU A 22 -4.954 -0.521 6.417 1.00 44.11 H new ATOM 0 HD21 LEU A 22 -5.493 2.403 5.622 1.00 43.52 H new ATOM 0 HD22 LEU A 22 -4.651 1.231 4.581 1.00 43.52 H new ATOM 0 HD23 LEU A 22 -6.082 2.096 3.970 1.00 43.52 H new ATOM 313 N PRO A 23 -6.605 -1.648 1.330 1.00 64.21 N ATOM 314 CA PRO A 23 -6.486 -2.916 0.607 1.00 44.30 C ATOM 315 C PRO A 23 -6.244 -4.123 1.547 1.00 71.23 C ATOM 316 O PRO A 23 -6.029 -3.956 2.752 1.00 60.02 O ATOM 317 CB PRO A 23 -5.338 -2.703 -0.393 1.00 42.10 C ATOM 318 CG PRO A 23 -4.513 -1.563 0.188 1.00 14.10 C ATOM 319 CD PRO A 23 -5.520 -0.742 0.981 1.00 64.05 C ATOM 0 HA PRO A 23 -7.416 -3.171 0.098 1.00 44.30 H new ATOM 0 HB2 PRO A 23 -4.739 -3.607 -0.504 1.00 42.10 H new ATOM 0 HB3 PRO A 23 -5.719 -2.450 -1.382 1.00 42.10 H new ATOM 0 HG2 PRO A 23 -3.712 -1.936 0.826 1.00 14.10 H new ATOM 0 HG3 PRO A 23 -4.045 -0.969 -0.597 1.00 14.10 H new ATOM 0 HD2 PRO A 23 -5.061 -0.323 1.876 1.00 64.05 H new ATOM 0 HD3 PRO A 23 -5.889 0.096 0.390 1.00 64.05 H new ATOM 324 N PRO A 24 -6.312 -5.365 1.023 1.00 43.11 N ATOM 325 CA PRO A 24 -6.034 -6.591 1.778 1.00 62.00 C ATOM 326 C PRO A 24 -4.534 -6.788 2.077 1.00 2.45 C ATOM 327 O PRO A 24 -3.684 -6.020 1.625 1.00 63.31 O ATOM 328 CB PRO A 24 -6.610 -7.723 0.916 1.00 64.34 C ATOM 329 CG PRO A 24 -6.589 -7.176 -0.505 1.00 2.44 C ATOM 330 CD PRO A 24 -6.779 -5.677 -0.325 1.00 22.23 C ATOM 0 HA PRO A 24 -6.491 -6.558 2.767 1.00 62.00 H new ATOM 0 HB2 PRO A 24 -6.010 -8.629 1.000 1.00 64.34 H new ATOM 0 HB3 PRO A 24 -7.623 -7.981 1.226 1.00 64.34 H new ATOM 0 HG2 PRO A 24 -5.648 -7.402 -1.006 1.00 2.44 H new ATOM 0 HG3 PRO A 24 -7.384 -7.609 -1.111 1.00 2.44 H new ATOM 0 HD2 PRO A 24 -6.212 -5.121 -1.072 1.00 22.23 H new ATOM 0 HD3 PRO A 24 -7.826 -5.400 -0.448 1.00 22.23 H new ATOM 335 N THR A 25 -4.197 -7.854 2.807 1.00 52.54 N ATOM 336 CA THR A 25 -2.859 -8.187 3.311 1.00 44.24 C ATOM 337 C THR A 25 -2.595 -9.693 3.162 1.00 33.22 C ATOM 338 O THR A 25 -3.541 -10.433 2.875 1.00 72.21 O ATOM 339 CB THR A 25 -2.746 -7.715 4.780 1.00 43.34 C ATOM 340 OG1 THR A 25 -3.981 -7.775 5.478 1.00 52.30 O ATOM 341 CG2 THR A 25 -2.265 -6.259 4.802 1.00 61.22 C ATOM 0 H THR A 25 -4.891 -8.550 3.079 1.00 52.54 H new ATOM 0 HA THR A 25 -2.095 -7.673 2.727 1.00 44.24 H new ATOM 0 HB THR A 25 -2.044 -8.387 5.275 1.00 43.34 H new ATOM 0 HG1 THR A 25 -3.851 -7.468 6.400 1.00 52.30 H new ATOM 0 HG21 THR A 25 -2.183 -5.919 5.834 1.00 61.22 H new ATOM 0 HG22 THR A 25 -1.291 -6.190 4.318 1.00 61.22 H new ATOM 0 HG23 THR A 25 -2.979 -5.632 4.269 1.00 61.22 H new ATOM 349 N PRO A 26 -1.346 -10.179 3.281 1.00 11.51 N ATOM 350 CA PRO A 26 -1.094 -11.614 3.324 1.00 54.22 C ATOM 351 C PRO A 26 -1.635 -12.163 4.644 1.00 43.51 C ATOM 352 O PRO A 26 -1.603 -11.467 5.662 1.00 21.02 O ATOM 353 CB PRO A 26 0.422 -11.793 3.224 1.00 51.52 C ATOM 354 CG PRO A 26 1.001 -10.442 3.640 1.00 61.32 C ATOM 355 CD PRO A 26 -0.129 -9.421 3.524 1.00 3.52 C ATOM 0 HA PRO A 26 -1.584 -12.151 2.512 1.00 54.22 H new ATOM 0 HB2 PRO A 26 0.770 -12.592 3.879 1.00 51.52 H new ATOM 0 HB3 PRO A 26 0.723 -12.058 2.210 1.00 51.52 H new ATOM 0 HG2 PRO A 26 1.382 -10.483 4.661 1.00 61.32 H new ATOM 0 HG3 PRO A 26 1.838 -10.166 2.998 1.00 61.32 H new ATOM 0 HD2 PRO A 26 -0.215 -8.832 4.437 1.00 3.52 H new ATOM 0 HD3 PRO A 26 0.062 -8.722 2.710 1.00 3.52 H new ATOM 360 N LYS A 27 -2.060 -13.429 4.665 1.00 51.14 N ATOM 361 CA LYS A 27 -2.741 -14.041 5.811 1.00 41.14 C ATOM 362 C LYS A 27 -1.828 -14.357 6.998 1.00 52.30 C ATOM 363 O LYS A 27 -2.062 -15.345 7.705 1.00 73.01 O ATOM 364 CB LYS A 27 -3.582 -15.241 5.357 1.00 24.31 C ATOM 365 CG LYS A 27 -2.750 -16.411 4.811 1.00 23.33 C ATOM 366 CD LYS A 27 -3.514 -17.740 4.885 1.00 22.41 C ATOM 367 CE LYS A 27 -3.241 -18.554 6.163 1.00 71.23 C ATOM 368 NZ LYS A 27 -3.572 -17.823 7.403 1.00 2.23 N ATOM 0 H LYS A 27 -1.940 -14.066 3.878 1.00 51.14 H new ATOM 0 HA LYS A 27 -3.418 -13.286 6.210 1.00 41.14 H new ATOM 0 HB2 LYS A 27 -4.179 -15.593 6.198 1.00 24.31 H new ATOM 0 HB3 LYS A 27 -4.280 -14.913 4.586 1.00 24.31 H new ATOM 0 HG2 LYS A 27 -2.474 -16.208 3.776 1.00 23.33 H new ATOM 0 HG3 LYS A 27 -1.823 -16.493 5.378 1.00 23.33 H new ATOM 0 HD2 LYS A 27 -4.583 -17.536 4.819 1.00 22.41 H new ATOM 0 HD3 LYS A 27 -3.251 -18.346 4.018 1.00 22.41 H new ATOM 0 HE2 LYS A 27 -3.820 -19.477 6.128 1.00 71.23 H new ATOM 0 HE3 LYS A 27 -2.189 -18.838 6.187 1.00 71.23 H new ATOM 0 HZ1 LYS A 27 -3.350 -18.418 8.227 1.00 2.23 H new ATOM 0 HZ2 LYS A 27 -3.014 -16.946 7.449 1.00 2.23 H new ATOM 0 HZ3 LYS A 27 -4.585 -17.589 7.408 1.00 2.23 H new ATOM 378 N ASN A 28 -0.754 -13.598 7.197 1.00 41.11 N ATOM 379 CA ASN A 28 0.369 -13.946 8.028 1.00 2.42 C ATOM 380 C ASN A 28 0.652 -12.862 9.055 1.00 55.30 C ATOM 381 O ASN A 28 0.961 -13.204 10.192 1.00 24.24 O ATOM 382 CB ASN A 28 1.584 -14.256 7.140 1.00 13.43 C ATOM 383 CG ASN A 28 1.484 -15.674 6.599 1.00 73.10 C ATOM 384 OD1 ASN A 28 1.932 -16.610 7.249 1.00 3.52 O ATOM 385 ND2 ASN A 28 0.854 -15.889 5.454 1.00 23.44 N ATOM 0 H ASN A 28 -0.649 -12.683 6.758 1.00 41.11 H new ATOM 0 HA ASN A 28 0.134 -14.844 8.600 1.00 2.42 H new ATOM 0 HB2 ASN A 28 1.632 -13.546 6.315 1.00 13.43 H new ATOM 0 HB3 ASN A 28 2.503 -14.141 7.714 1.00 13.43 H new ATOM 0 HD21 ASN A 28 0.738 -16.841 5.106 1.00 23.44 H new ATOM 0 HD22 ASN A 28 0.484 -15.103 4.920 1.00 23.44 H new ATOM 391 N ILE A 29 0.563 -11.578 8.699 1.00 55.44 N ATOM 392 CA ILE A 29 0.908 -10.484 9.606 1.00 51.14 C ATOM 393 C ILE A 29 -0.035 -9.301 9.313 1.00 23.33 C ATOM 394 O ILE A 29 -0.681 -9.296 8.261 1.00 64.43 O ATOM 395 CB ILE A 29 2.411 -10.104 9.487 1.00 23.13 C ATOM 396 CG1 ILE A 29 2.812 -9.287 8.246 1.00 52.33 C ATOM 397 CG2 ILE A 29 3.347 -11.310 9.598 1.00 32.22 C ATOM 398 CD1 ILE A 29 2.878 -10.056 6.933 1.00 24.33 C ATOM 0 H ILE A 29 0.251 -11.270 7.778 1.00 55.44 H new ATOM 0 HA ILE A 29 0.769 -10.792 10.642 1.00 51.14 H new ATOM 0 HB ILE A 29 2.535 -9.447 10.348 1.00 23.13 H new ATOM 0 HG12 ILE A 29 2.102 -8.468 8.129 1.00 52.33 H new ATOM 0 HG13 ILE A 29 3.788 -8.838 8.431 1.00 52.33 H new ATOM 0 HG21 ILE A 29 4.381 -10.978 9.507 1.00 32.22 H new ATOM 0 HG22 ILE A 29 3.205 -11.793 10.565 1.00 32.22 H new ATOM 0 HG23 ILE A 29 3.123 -12.019 8.801 1.00 32.22 H new ATOM 0 HD11 ILE A 29 3.170 -9.380 6.130 1.00 24.33 H new ATOM 0 HD12 ILE A 29 3.612 -10.858 7.017 1.00 24.33 H new ATOM 0 HD13 ILE A 29 1.899 -10.482 6.711 1.00 24.33 H new ATOM 409 N PRO A 30 -0.172 -8.313 10.211 1.00 44.21 N ATOM 410 CA PRO A 30 -0.980 -7.118 9.972 1.00 13.11 C ATOM 411 C PRO A 30 -0.236 -6.120 9.074 1.00 24.24 C ATOM 412 O PRO A 30 0.974 -6.237 8.903 1.00 51.20 O ATOM 413 CB PRO A 30 -1.240 -6.559 11.375 1.00 72.44 C ATOM 414 CG PRO A 30 -0.006 -6.964 12.171 1.00 74.31 C ATOM 415 CD PRO A 30 0.351 -8.320 11.566 1.00 32.23 C ATOM 0 HA PRO A 30 -1.909 -7.330 9.443 1.00 13.11 H new ATOM 0 HB2 PRO A 30 -1.364 -5.476 11.356 1.00 72.44 H new ATOM 0 HB3 PRO A 30 -2.149 -6.977 11.808 1.00 72.44 H new ATOM 0 HG2 PRO A 30 0.804 -6.244 12.057 1.00 74.31 H new ATOM 0 HG3 PRO A 30 -0.218 -7.039 13.237 1.00 74.31 H new ATOM 0 HD2 PRO A 30 1.430 -8.473 11.565 1.00 32.23 H new ATOM 0 HD3 PRO A 30 -0.086 -9.132 12.147 1.00 32.23 H new ATOM 420 N LEU A 31 -0.923 -5.098 8.555 1.00 52.12 N ATOM 421 CA LEU A 31 -0.342 -4.002 7.761 1.00 15.34 C ATOM 422 C LEU A 31 0.952 -3.439 8.379 1.00 60.14 C ATOM 423 O LEU A 31 1.994 -3.529 7.732 1.00 44.22 O ATOM 424 CB LEU A 31 -1.422 -2.940 7.469 1.00 63.13 C ATOM 425 CG LEU A 31 -1.014 -1.666 6.697 1.00 23.20 C ATOM 426 CD1 LEU A 31 -0.431 -0.558 7.582 1.00 1.11 C ATOM 427 CD2 LEU A 31 -0.083 -1.950 5.516 1.00 4.14 C ATOM 0 H LEU A 31 -1.931 -5.004 8.678 1.00 52.12 H new ATOM 0 HA LEU A 31 -0.016 -4.399 6.799 1.00 15.34 H new ATOM 0 HB2 LEU A 31 -2.221 -3.425 6.909 1.00 63.13 H new ATOM 0 HB3 LEU A 31 -1.846 -2.628 8.423 1.00 63.13 H new ATOM 0 HG LEU A 31 -1.957 -1.291 6.299 1.00 23.20 H new ATOM 0 HD11 LEU A 31 -0.170 0.301 6.964 1.00 1.11 H new ATOM 0 HD12 LEU A 31 -1.170 -0.259 8.325 1.00 1.11 H new ATOM 0 HD13 LEU A 31 0.462 -0.927 8.086 1.00 1.11 H new ATOM 0 HD21 LEU A 31 0.166 -1.014 5.016 1.00 4.14 H new ATOM 0 HD22 LEU A 31 0.830 -2.422 5.878 1.00 4.14 H new ATOM 0 HD23 LEU A 31 -0.581 -2.616 4.812 1.00 4.14 H new ATOM 438 N PRO A 32 0.966 -2.936 9.628 1.00 4.32 N ATOM 439 CA PRO A 32 2.181 -2.404 10.254 1.00 64.42 C ATOM 440 C PRO A 32 3.253 -3.458 10.568 1.00 23.24 C ATOM 441 O PRO A 32 4.261 -3.119 11.184 1.00 33.10 O ATOM 442 CB PRO A 32 1.703 -1.693 11.520 1.00 23.11 C ATOM 443 CG PRO A 32 0.411 -2.421 11.874 1.00 54.43 C ATOM 444 CD PRO A 32 -0.178 -2.722 10.503 1.00 21.40 C ATOM 0 HA PRO A 32 2.689 -1.735 9.560 1.00 64.42 H new ATOM 0 HB2 PRO A 32 2.437 -1.766 12.322 1.00 23.11 H new ATOM 0 HB3 PRO A 32 1.529 -0.632 11.343 1.00 23.11 H new ATOM 0 HG2 PRO A 32 0.600 -3.331 12.444 1.00 54.43 H new ATOM 0 HG3 PRO A 32 -0.254 -1.801 12.475 1.00 54.43 H new ATOM 0 HD2 PRO A 32 -0.818 -3.604 10.536 1.00 21.40 H new ATOM 0 HD3 PRO A 32 -0.793 -1.895 10.150 1.00 21.40 H new ATOM 449 N ALA A 33 3.071 -4.724 10.200 1.00 60.40 N ATOM 450 CA ALA A 33 4.136 -5.715 10.145 1.00 75.02 C ATOM 451 C ALA A 33 4.520 -5.966 8.689 1.00 13.45 C ATOM 452 O ALA A 33 5.709 -6.006 8.382 1.00 21.33 O ATOM 453 CB ALA A 33 3.665 -6.991 10.824 1.00 4.44 C ATOM 0 H ALA A 33 2.161 -5.094 9.927 1.00 60.40 H new ATOM 0 HA ALA A 33 5.020 -5.353 10.670 1.00 75.02 H new ATOM 0 HB1 ALA A 33 4.458 -7.737 10.786 1.00 4.44 H new ATOM 0 HB2 ALA A 33 3.415 -6.779 11.864 1.00 4.44 H new ATOM 0 HB3 ALA A 33 2.783 -7.373 10.310 1.00 4.44 H new ATOM 459 N PHE A 34 3.531 -6.058 7.791 1.00 12.33 N ATOM 460 CA PHE A 34 3.674 -6.317 6.363 1.00 23.41 C ATOM 461 C PHE A 34 4.588 -5.313 5.659 1.00 75.31 C ATOM 462 O PHE A 34 5.094 -5.600 4.579 1.00 42.11 O ATOM 463 CB PHE A 34 2.296 -6.395 5.679 1.00 54.20 C ATOM 464 CG PHE A 34 2.353 -6.769 4.204 1.00 75.11 C ATOM 465 CD1 PHE A 34 3.202 -7.806 3.764 1.00 63.01 C ATOM 466 CD2 PHE A 34 1.623 -6.029 3.252 1.00 53.43 C ATOM 467 CE1 PHE A 34 3.360 -8.058 2.393 1.00 14.22 C ATOM 468 CE2 PHE A 34 1.759 -6.306 1.881 1.00 1.41 C ATOM 469 CZ PHE A 34 2.638 -7.309 1.450 1.00 75.30 C ATOM 0 H PHE A 34 2.554 -5.946 8.064 1.00 12.33 H new ATOM 0 HA PHE A 34 4.163 -7.287 6.270 1.00 23.41 H new ATOM 0 HB2 PHE A 34 1.683 -7.127 6.205 1.00 54.20 H new ATOM 0 HB3 PHE A 34 1.798 -5.431 5.779 1.00 54.20 H new ATOM 0 HD1 PHE A 34 3.733 -8.409 4.486 1.00 63.01 H new ATOM 0 HD2 PHE A 34 0.956 -5.245 3.578 1.00 53.43 H new ATOM 0 HE1 PHE A 34 4.039 -8.830 2.062 1.00 14.22 H new ATOM 0 HE2 PHE A 34 1.185 -5.745 1.158 1.00 1.41 H new ATOM 0 HZ PHE A 34 2.760 -7.505 0.395 1.00 75.30 H new ATOM 478 N GLY A 35 4.850 -4.167 6.273 1.00 31.31 N ATOM 479 CA GLY A 35 5.877 -3.239 5.867 1.00 71.12 C ATOM 480 C GLY A 35 7.095 -3.405 6.769 1.00 31.34 C ATOM 481 O GLY A 35 8.155 -3.862 6.341 1.00 13.14 O ATOM 0 H GLY A 35 4.332 -3.855 7.094 1.00 31.31 H new ATOM 0 HA2 GLY A 35 6.153 -3.417 4.828 1.00 71.12 H new ATOM 0 HA3 GLY A 35 5.503 -2.217 5.927 1.00 71.12 H new ATOM 485 N GLN A 36 6.933 -3.030 8.037 1.00 43.54 N ATOM 486 CA GLN A 36 7.993 -2.803 9.016 1.00 55.43 C ATOM 487 C GLN A 36 8.930 -4.012 9.187 1.00 14.12 C ATOM 488 O GLN A 36 10.133 -3.824 9.362 1.00 55.32 O ATOM 489 CB GLN A 36 7.342 -2.443 10.366 1.00 73.35 C ATOM 490 CG GLN A 36 6.703 -1.044 10.516 1.00 75.31 C ATOM 491 CD GLN A 36 5.888 -0.526 9.331 1.00 60.03 C ATOM 492 OE1 GLN A 36 4.984 -1.174 8.817 1.00 35.04 O ATOM 493 NE2 GLN A 36 6.227 0.645 8.822 1.00 32.01 N ATOM 0 H GLN A 36 6.006 -2.868 8.430 1.00 43.54 H new ATOM 0 HA GLN A 36 8.616 -1.986 8.650 1.00 55.43 H new ATOM 0 HB2 GLN A 36 6.571 -3.185 10.573 1.00 73.35 H new ATOM 0 HB3 GLN A 36 8.102 -2.547 11.141 1.00 73.35 H new ATOM 0 HG2 GLN A 36 6.055 -1.059 11.393 1.00 75.31 H new ATOM 0 HG3 GLN A 36 7.499 -0.327 10.720 1.00 75.31 H new ATOM 0 HE21 GLN A 36 6.979 1.187 9.247 1.00 32.01 H new ATOM 0 HE22 GLN A 36 5.737 1.007 8.004 1.00 32.01 H new ATOM 500 N ARG A 37 8.439 -5.253 9.136 1.00 4.51 N ATOM 501 CA ARG A 37 9.265 -6.444 9.382 1.00 64.44 C ATOM 502 C ARG A 37 9.323 -7.362 8.165 1.00 23.14 C ATOM 503 O ARG A 37 9.560 -8.563 8.290 1.00 72.21 O ATOM 504 CB ARG A 37 8.805 -7.144 10.671 1.00 32.32 C ATOM 505 CG ARG A 37 9.294 -6.381 11.916 1.00 31.34 C ATOM 506 CD ARG A 37 9.393 -7.257 13.174 1.00 34.31 C ATOM 507 NE ARG A 37 10.201 -6.590 14.209 1.00 40.53 N ATOM 508 CZ ARG A 37 10.730 -7.158 15.298 1.00 32.24 C ATOM 509 NH1 ARG A 37 10.359 -8.368 15.709 1.00 64.21 N ATOM 510 NH2 ARG A 37 11.651 -6.486 15.976 1.00 72.01 N ATOM 0 H ARG A 37 7.463 -5.463 8.924 1.00 4.51 H new ATOM 0 HA ARG A 37 10.298 -6.134 9.541 1.00 64.44 H new ATOM 0 HB2 ARG A 37 7.717 -7.211 10.685 1.00 32.32 H new ATOM 0 HB3 ARG A 37 9.187 -8.165 10.692 1.00 32.32 H new ATOM 0 HG2 ARG A 37 10.273 -5.949 11.706 1.00 31.34 H new ATOM 0 HG3 ARG A 37 8.615 -5.551 12.113 1.00 31.34 H new ATOM 0 HD2 ARG A 37 8.395 -7.462 13.560 1.00 34.31 H new ATOM 0 HD3 ARG A 37 9.840 -8.218 12.920 1.00 34.31 H new ATOM 0 HE ARG A 37 10.375 -5.593 14.082 1.00 40.53 H new ATOM 0 HH11 ARG A 37 9.653 -8.889 15.189 1.00 64.21 H new ATOM 0 HH12 ARG A 37 10.781 -8.775 16.544 1.00 64.21 H new ATOM 0 HH21 ARG A 37 11.940 -5.559 15.663 1.00 72.01 H new ATOM 0 HH22 ARG A 37 12.071 -6.896 16.810 1.00 72.01 H new ATOM 521 N ILE A 38 9.050 -6.820 6.979 1.00 2.14 N ATOM 522 CA ILE A 38 8.939 -7.586 5.748 1.00 62.41 C ATOM 523 C ILE A 38 9.656 -6.795 4.650 1.00 35.02 C ATOM 524 O ILE A 38 10.676 -7.259 4.133 1.00 33.33 O ATOM 525 CB ILE A 38 7.445 -7.880 5.471 1.00 14.55 C ATOM 526 CG1 ILE A 38 6.718 -8.613 6.629 1.00 74.24 C ATOM 527 CG2 ILE A 38 7.241 -8.634 4.147 1.00 42.21 C ATOM 528 CD1 ILE A 38 7.100 -10.074 6.843 1.00 21.12 C ATOM 0 H ILE A 38 8.898 -5.820 6.849 1.00 2.14 H new ATOM 0 HA ILE A 38 9.420 -8.562 5.804 1.00 62.41 H new ATOM 0 HB ILE A 38 6.982 -6.897 5.389 1.00 14.55 H new ATOM 0 HG12 ILE A 38 6.911 -8.069 7.554 1.00 74.24 H new ATOM 0 HG13 ILE A 38 5.645 -8.562 6.447 1.00 74.24 H new ATOM 0 HG21 ILE A 38 6.178 -8.819 3.994 1.00 42.21 H new ATOM 0 HG22 ILE A 38 7.627 -8.034 3.323 1.00 42.21 H new ATOM 0 HG23 ILE A 38 7.773 -9.585 4.184 1.00 42.21 H new ATOM 0 HD11 ILE A 38 6.529 -10.481 7.677 1.00 21.12 H new ATOM 0 HD12 ILE A 38 6.879 -10.644 5.940 1.00 21.12 H new ATOM 0 HD13 ILE A 38 8.165 -10.143 7.064 1.00 21.12 H new ATOM 539 N ILE A 39 9.152 -5.601 4.323 1.00 63.12 N ATOM 540 CA ILE A 39 9.776 -4.650 3.406 1.00 61.32 C ATOM 541 C ILE A 39 11.003 -4.010 4.078 1.00 33.41 C ATOM 542 O ILE A 39 11.987 -3.708 3.404 1.00 60.02 O ATOM 543 CB ILE A 39 8.743 -3.577 2.969 1.00 40.54 C ATOM 544 CG1 ILE A 39 7.393 -4.149 2.481 1.00 0.42 C ATOM 545 CG2 ILE A 39 9.321 -2.661 1.877 1.00 11.42 C ATOM 546 CD1 ILE A 39 7.447 -5.184 1.359 1.00 35.25 C ATOM 0 H ILE A 39 8.269 -5.261 4.704 1.00 63.12 H new ATOM 0 HA ILE A 39 10.113 -5.172 2.511 1.00 61.32 H new ATOM 0 HB ILE A 39 8.539 -3.009 3.877 1.00 40.54 H new ATOM 0 HG12 ILE A 39 6.887 -4.600 3.335 1.00 0.42 H new ATOM 0 HG13 ILE A 39 6.773 -3.317 2.146 1.00 0.42 H new ATOM 0 HG21 ILE A 39 8.575 -1.920 1.591 1.00 11.42 H new ATOM 0 HG22 ILE A 39 10.208 -2.155 2.259 1.00 11.42 H new ATOM 0 HG23 ILE A 39 9.591 -3.258 1.006 1.00 11.42 H new ATOM 0 HD11 ILE A 39 6.435 -5.504 1.110 1.00 35.25 H new ATOM 0 HD12 ILE A 39 7.914 -4.742 0.479 1.00 35.25 H new ATOM 0 HD13 ILE A 39 8.030 -6.045 1.686 1.00 35.25 H new ATOM 557 N GLY A 40 10.974 -3.805 5.400 1.00 64.10 N ATOM 558 CA GLY A 40 12.084 -3.216 6.149 1.00 24.41 C ATOM 559 C GLY A 40 12.189 -1.699 5.992 1.00 24.42 C ATOM 560 O GLY A 40 13.178 -1.115 6.413 1.00 31.00 O ATOM 0 H GLY A 40 10.172 -4.046 5.982 1.00 64.10 H new ATOM 0 HA2 GLY A 40 11.967 -3.457 7.206 1.00 24.41 H new ATOM 0 HA3 GLY A 40 13.017 -3.673 5.819 1.00 24.41 H new ATOM 564 N TRP A 41 11.170 -1.052 5.420 1.00 53.25 N ATOM 565 CA TRP A 41 11.065 0.385 5.145 1.00 64.45 C ATOM 566 C TRP A 41 10.900 1.267 6.388 1.00 0.31 C ATOM 567 O TRP A 41 10.220 2.298 6.326 1.00 33.43 O ATOM 568 CB TRP A 41 9.900 0.571 4.163 1.00 75.23 C ATOM 569 CG TRP A 41 8.512 0.286 4.659 1.00 11.32 C ATOM 570 CD1 TRP A 41 8.163 -0.013 5.932 1.00 11.33 C ATOM 571 CD2 TRP A 41 7.269 0.270 3.893 1.00 53.23 C ATOM 572 NE1 TRP A 41 6.807 -0.167 6.013 1.00 53.15 N ATOM 573 CE2 TRP A 41 6.204 -0.062 4.779 1.00 1.12 C ATOM 574 CE3 TRP A 41 6.930 0.473 2.537 1.00 61.45 C ATOM 575 CZ2 TRP A 41 4.889 -0.245 4.339 1.00 15.11 C ATOM 576 CZ3 TRP A 41 5.614 0.276 2.082 1.00 0.43 C ATOM 577 CH2 TRP A 41 4.597 -0.085 2.978 1.00 12.14 C ATOM 0 H TRP A 41 10.336 -1.554 5.115 1.00 53.25 H new ATOM 0 HA TRP A 41 12.010 0.722 4.719 1.00 64.45 H new ATOM 0 HB2 TRP A 41 9.923 1.601 3.807 1.00 75.23 H new ATOM 0 HB3 TRP A 41 10.085 -0.068 3.300 1.00 75.23 H new ATOM 0 HD1 TRP A 41 8.851 -0.115 6.758 1.00 11.33 H new ATOM 0 HE1 TRP A 41 6.302 -0.339 6.883 1.00 53.15 H new ATOM 0 HE3 TRP A 41 7.693 0.784 1.839 1.00 61.45 H new ATOM 0 HZ2 TRP A 41 4.109 -0.506 5.039 1.00 15.11 H new ATOM 0 HZ3 TRP A 41 5.385 0.404 1.034 1.00 0.43 H new ATOM 0 HH2 TRP A 41 3.590 -0.239 2.619 1.00 12.14 H new ATOM 587 N GLY A 42 11.426 0.830 7.529 1.00 12.30 N ATOM 588 CA GLY A 42 11.339 1.511 8.802 1.00 35.32 C ATOM 589 C GLY A 42 9.893 1.838 9.096 1.00 12.43 C ATOM 590 O GLY A 42 9.031 0.953 9.154 1.00 24.24 O ATOM 0 H GLY A 42 11.945 -0.046 7.586 1.00 12.30 H new ATOM 0 HA2 GLY A 42 11.750 0.883 9.592 1.00 35.32 H new ATOM 0 HA3 GLY A 42 11.933 2.425 8.780 1.00 35.32 H new ATOM 594 N THR A 43 9.623 3.126 9.226 1.00 23.24 N ATOM 595 CA THR A 43 8.297 3.656 9.443 1.00 12.53 C ATOM 596 C THR A 43 8.218 5.027 8.766 1.00 64.12 C ATOM 597 O THR A 43 9.245 5.610 8.401 1.00 32.13 O ATOM 598 CB THR A 43 8.001 3.699 10.957 1.00 44.43 C ATOM 599 OG1 THR A 43 8.559 2.595 11.650 1.00 60.24 O ATOM 600 CG2 THR A 43 6.495 3.657 11.216 1.00 31.43 C ATOM 0 H THR A 43 10.343 3.847 9.182 1.00 23.24 H new ATOM 0 HA THR A 43 7.529 3.022 9.000 1.00 12.53 H new ATOM 0 HB THR A 43 8.446 4.627 11.316 1.00 44.43 H new ATOM 0 HG1 THR A 43 8.347 2.667 12.604 1.00 60.24 H new ATOM 0 HG21 THR A 43 6.309 3.688 12.290 1.00 31.43 H new ATOM 0 HG22 THR A 43 6.020 4.515 10.740 1.00 31.43 H new ATOM 0 HG23 THR A 43 6.080 2.738 10.803 1.00 31.43 H new ATOM 608 N GLY A 44 6.995 5.532 8.594 1.00 74.43 N ATOM 609 CA GLY A 44 6.737 6.819 7.989 1.00 61.23 C ATOM 610 C GLY A 44 7.304 6.902 6.576 1.00 11.52 C ATOM 611 O GLY A 44 7.404 5.901 5.859 1.00 62.42 O ATOM 0 H GLY A 44 6.148 5.041 8.880 1.00 74.43 H new ATOM 0 HA2 GLY A 44 5.662 6.999 7.961 1.00 61.23 H new ATOM 0 HA3 GLY A 44 7.176 7.605 8.604 1.00 61.23 H new ATOM 615 N ALA A 45 7.612 8.132 6.180 1.00 31.13 N ATOM 616 CA ALA A 45 8.339 8.468 4.968 1.00 44.42 C ATOM 617 C ALA A 45 9.775 7.975 5.063 1.00 61.02 C ATOM 618 O ALA A 45 10.305 7.417 4.109 1.00 15.52 O ATOM 619 CB ALA A 45 8.325 9.995 4.800 1.00 2.22 C ATOM 0 H ALA A 45 7.349 8.956 6.721 1.00 31.13 H new ATOM 0 HA ALA A 45 7.866 7.990 4.110 1.00 44.42 H new ATOM 0 HB1 ALA A 45 8.867 10.266 3.894 1.00 2.22 H new ATOM 0 HB2 ALA A 45 7.295 10.343 4.725 1.00 2.22 H new ATOM 0 HB3 ALA A 45 8.803 10.460 5.662 1.00 2.22 H new ATOM 625 N GLU A 46 10.418 8.218 6.201 1.00 73.22 N ATOM 626 CA GLU A 46 11.844 8.229 6.352 1.00 15.53 C ATOM 627 C GLU A 46 12.456 6.856 6.103 1.00 0.31 C ATOM 628 O GLU A 46 13.437 6.757 5.371 1.00 71.24 O ATOM 629 CB GLU A 46 12.042 8.734 7.775 1.00 62.22 C ATOM 630 CG GLU A 46 13.391 9.373 8.017 1.00 34.24 C ATOM 631 CD GLU A 46 14.557 8.388 8.066 1.00 11.10 C ATOM 632 OE1 GLU A 46 14.519 7.456 8.902 1.00 71.14 O ATOM 633 OE2 GLU A 46 15.536 8.605 7.312 1.00 33.31 O ATOM 0 H GLU A 46 9.926 8.419 7.072 1.00 73.22 H new ATOM 0 HA GLU A 46 12.351 8.861 5.623 1.00 15.53 H new ATOM 0 HB2 GLU A 46 11.261 9.459 8.005 1.00 62.22 H new ATOM 0 HB3 GLU A 46 11.916 7.901 8.466 1.00 62.22 H new ATOM 0 HG2 GLU A 46 13.580 10.102 7.229 1.00 34.24 H new ATOM 0 HG3 GLU A 46 13.356 9.922 8.958 1.00 34.24 H new ATOM 638 N GLY A 47 11.870 5.788 6.645 1.00 21.44 N ATOM 639 CA GLY A 47 12.447 4.473 6.417 1.00 71.31 C ATOM 640 C GLY A 47 12.250 4.036 4.963 1.00 24.33 C ATOM 641 O GLY A 47 13.149 3.471 4.340 1.00 73.14 O ATOM 0 H GLY A 47 11.029 5.807 7.222 1.00 21.44 H new ATOM 0 HA2 GLY A 47 13.511 4.492 6.655 1.00 71.31 H new ATOM 0 HA3 GLY A 47 11.984 3.747 7.085 1.00 71.31 H new ATOM 645 N ALA A 48 11.095 4.359 4.373 1.00 11.10 N ATOM 646 CA ALA A 48 10.830 4.095 2.966 1.00 22.31 C ATOM 647 C ALA A 48 11.695 4.975 2.060 1.00 3.30 C ATOM 648 O ALA A 48 11.812 4.683 0.876 1.00 53.45 O ATOM 649 CB ALA A 48 9.331 4.274 2.671 1.00 64.21 C ATOM 0 H ALA A 48 10.322 4.810 4.862 1.00 11.10 H new ATOM 0 HA ALA A 48 11.099 3.061 2.749 1.00 22.31 H new ATOM 0 HB1 ALA A 48 9.141 4.075 1.616 1.00 64.21 H new ATOM 0 HB2 ALA A 48 8.755 3.579 3.281 1.00 64.21 H new ATOM 0 HB3 ALA A 48 9.033 5.296 2.906 1.00 64.21 H new ATOM 655 N ARG A 49 12.303 6.045 2.578 1.00 1.13 N ATOM 656 CA ARG A 49 13.288 6.856 1.875 1.00 64.25 C ATOM 657 C ARG A 49 14.669 6.231 1.968 1.00 0.41 C ATOM 658 O ARG A 49 15.447 6.395 1.028 1.00 1.32 O ATOM 659 CB ARG A 49 13.235 8.285 2.453 1.00 51.22 C ATOM 660 CG ARG A 49 14.292 9.270 1.924 1.00 33.44 C ATOM 661 CD ARG A 49 15.540 9.230 2.823 1.00 44.24 C ATOM 662 NE ARG A 49 16.677 10.009 2.308 1.00 72.45 N ATOM 663 CZ ARG A 49 17.449 9.696 1.258 1.00 62.14 C ATOM 664 NH1 ARG A 49 17.202 8.626 0.509 1.00 51.13 N ATOM 665 NH2 ARG A 49 18.478 10.472 0.952 1.00 63.33 N ATOM 0 H ARG A 49 12.115 6.376 3.524 1.00 1.13 H new ATOM 0 HA ARG A 49 13.058 6.904 0.811 1.00 64.25 H new ATOM 0 HB2 ARG A 49 12.248 8.700 2.251 1.00 51.22 H new ATOM 0 HB3 ARG A 49 13.338 8.221 3.536 1.00 51.22 H new ATOM 0 HG2 ARG A 49 14.562 9.012 0.900 1.00 33.44 H new ATOM 0 HG3 ARG A 49 13.882 10.280 1.901 1.00 33.44 H new ATOM 0 HD2 ARG A 49 15.275 9.605 3.811 1.00 44.24 H new ATOM 0 HD3 ARG A 49 15.851 8.193 2.948 1.00 44.24 H new ATOM 0 HE ARG A 49 16.900 10.874 2.800 1.00 72.45 H new ATOM 0 HH11 ARG A 49 16.410 8.022 0.728 1.00 51.13 H new ATOM 0 HH12 ARG A 49 17.804 8.409 -0.285 1.00 51.13 H new ATOM 0 HH21 ARG A 49 18.677 11.300 1.514 1.00 63.33 H new ATOM 0 HH22 ARG A 49 19.071 10.242 0.155 1.00 63.33 H new ATOM 676 N GLN A 50 14.998 5.568 3.076 1.00 20.11 N ATOM 677 CA GLN A 50 16.255 4.848 3.202 1.00 0.21 C ATOM 678 C GLN A 50 16.196 3.628 2.293 1.00 74.12 C ATOM 679 O GLN A 50 16.915 3.558 1.301 1.00 55.25 O ATOM 680 CB GLN A 50 16.563 4.444 4.661 1.00 4.40 C ATOM 681 CG GLN A 50 16.748 5.617 5.637 1.00 31.43 C ATOM 682 CD GLN A 50 17.731 6.673 5.138 1.00 55.31 C ATOM 683 OE1 GLN A 50 18.803 6.369 4.620 1.00 22.02 O ATOM 684 NE2 GLN A 50 17.399 7.943 5.281 1.00 71.13 N ATOM 0 H GLN A 50 14.403 5.517 3.903 1.00 20.11 H new ATOM 0 HA GLN A 50 17.070 5.505 2.900 1.00 0.21 H new ATOM 0 HB2 GLN A 50 15.753 3.813 5.026 1.00 4.40 H new ATOM 0 HB3 GLN A 50 17.469 3.838 4.670 1.00 4.40 H new ATOM 0 HG2 GLN A 50 15.781 6.087 5.815 1.00 31.43 H new ATOM 0 HG3 GLN A 50 17.096 5.231 6.595 1.00 31.43 H new ATOM 0 HE21 GLN A 50 16.508 8.192 5.711 1.00 71.13 H new ATOM 0 HE22 GLN A 50 18.033 8.675 4.961 1.00 71.13 H new ATOM 691 N ARG A 51 15.339 2.648 2.590 1.00 40.24 N ATOM 692 CA ARG A 51 15.402 1.320 1.971 1.00 12.21 C ATOM 693 C ARG A 51 14.764 1.267 0.575 1.00 43.34 C ATOM 694 O ARG A 51 14.247 0.234 0.171 1.00 13.52 O ATOM 695 CB ARG A 51 14.893 0.259 2.977 1.00 24.03 C ATOM 696 CG ARG A 51 15.882 0.096 4.154 1.00 61.43 C ATOM 697 CD ARG A 51 17.212 -0.598 3.795 1.00 11.54 C ATOM 698 NE ARG A 51 17.017 -2.036 3.584 1.00 42.31 N ATOM 699 CZ ARG A 51 17.886 -2.928 3.101 1.00 61.34 C ATOM 700 NH1 ARG A 51 19.052 -2.579 2.574 1.00 24.02 N ATOM 701 NH2 ARG A 51 17.581 -4.213 3.180 1.00 62.32 N ATOM 0 H ARG A 51 14.582 2.752 3.266 1.00 40.24 H new ATOM 0 HA ARG A 51 16.442 1.075 1.756 1.00 12.21 H new ATOM 0 HB2 ARG A 51 13.914 0.552 3.357 1.00 24.03 H new ATOM 0 HB3 ARG A 51 14.765 -0.697 2.470 1.00 24.03 H new ATOM 0 HG2 ARG A 51 16.103 1.082 4.563 1.00 61.43 H new ATOM 0 HG3 ARG A 51 15.393 -0.475 4.944 1.00 61.43 H new ATOM 0 HD2 ARG A 51 17.629 -0.148 2.894 1.00 11.54 H new ATOM 0 HD3 ARG A 51 17.936 -0.439 4.594 1.00 11.54 H new ATOM 0 HE ARG A 51 16.100 -2.402 3.839 1.00 42.31 H new ATOM 0 HH11 ARG A 51 19.316 -1.595 2.526 1.00 24.02 H new ATOM 0 HH12 ARG A 51 19.685 -3.295 2.217 1.00 24.02 H new ATOM 0 HH21 ARG A 51 16.699 -4.503 3.603 1.00 62.32 H new ATOM 0 HH22 ARG A 51 18.228 -4.914 2.818 1.00 62.32 H new ATOM 712 N LEU A 52 14.815 2.370 -0.176 1.00 3.23 N ATOM 713 CA LEU A 52 14.324 2.527 -1.542 1.00 60.43 C ATOM 714 C LEU A 52 15.476 2.789 -2.493 1.00 73.11 C ATOM 715 O LEU A 52 15.698 2.029 -3.432 1.00 21.10 O ATOM 716 CB LEU A 52 13.311 3.673 -1.537 1.00 11.50 C ATOM 717 CG LEU A 52 13.012 4.440 -2.844 1.00 21.00 C ATOM 718 CD1 LEU A 52 12.777 3.601 -4.101 1.00 64.33 C ATOM 719 CD2 LEU A 52 11.784 5.319 -2.598 1.00 32.12 C ATOM 0 H LEU A 52 15.228 3.232 0.180 1.00 3.23 H new ATOM 0 HA LEU A 52 13.839 1.615 -1.891 1.00 60.43 H new ATOM 0 HB2 LEU A 52 12.366 3.270 -1.173 1.00 11.50 H new ATOM 0 HB3 LEU A 52 13.650 4.403 -0.802 1.00 11.50 H new ATOM 0 HG LEU A 52 13.920 5.001 -3.064 1.00 21.00 H new ATOM 0 HD11 LEU A 52 12.578 4.260 -4.946 1.00 64.33 H new ATOM 0 HD12 LEU A 52 13.663 3.001 -4.309 1.00 64.33 H new ATOM 0 HD13 LEU A 52 11.922 2.943 -3.945 1.00 64.33 H new ATOM 0 HD21 LEU A 52 11.547 5.875 -3.505 1.00 32.12 H new ATOM 0 HD22 LEU A 52 10.936 4.691 -2.325 1.00 32.12 H new ATOM 0 HD23 LEU A 52 11.993 6.018 -1.788 1.00 32.12 H new ATOM 730 N GLU A 53 16.199 3.885 -2.277 1.00 0.32 N ATOM 731 CA GLU A 53 17.117 4.439 -3.274 1.00 14.32 C ATOM 732 C GLU A 53 18.362 3.567 -3.465 1.00 22.43 C ATOM 733 O GLU A 53 19.161 3.798 -4.372 1.00 71.25 O ATOM 734 CB GLU A 53 17.438 5.905 -2.914 1.00 52.14 C ATOM 735 CG GLU A 53 16.131 6.706 -2.732 1.00 23.33 C ATOM 736 CD GLU A 53 16.285 8.222 -2.665 1.00 33.33 C ATOM 737 OE1 GLU A 53 17.331 8.739 -2.230 1.00 13.52 O ATOM 738 OE2 GLU A 53 15.314 8.932 -3.037 1.00 3.40 O ATOM 0 H GLU A 53 16.166 4.416 -1.406 1.00 0.32 H new ATOM 0 HA GLU A 53 16.631 4.436 -4.249 1.00 14.32 H new ATOM 0 HB2 GLU A 53 18.027 5.942 -1.997 1.00 52.14 H new ATOM 0 HB3 GLU A 53 18.044 6.356 -3.700 1.00 52.14 H new ATOM 0 HG2 GLU A 53 15.461 6.464 -3.557 1.00 23.33 H new ATOM 0 HG3 GLU A 53 15.645 6.368 -1.817 1.00 23.33 H new ATOM 743 N ASN A 54 18.482 2.510 -2.668 1.00 23.04 N ATOM 744 CA ASN A 54 19.588 1.577 -2.550 1.00 43.31 C ATOM 745 C ASN A 54 19.010 0.181 -2.297 1.00 20.42 C ATOM 746 O ASN A 54 19.444 -0.532 -1.393 1.00 21.24 O ATOM 747 CB ASN A 54 20.530 2.041 -1.420 1.00 0.12 C ATOM 748 CG ASN A 54 19.767 2.545 -0.201 1.00 31.03 C ATOM 749 OD1 ASN A 54 19.922 3.686 0.209 1.00 55.44 O ATOM 750 ND2 ASN A 54 18.850 1.771 0.352 1.00 64.05 N ATOM 0 H ASN A 54 17.729 2.265 -2.026 1.00 23.04 H new ATOM 0 HA ASN A 54 20.180 1.541 -3.465 1.00 43.31 H new ATOM 0 HB2 ASN A 54 21.175 1.213 -1.125 1.00 0.12 H new ATOM 0 HB3 ASN A 54 21.178 2.834 -1.793 1.00 0.12 H new ATOM 0 HD21 ASN A 54 18.276 2.127 1.117 1.00 64.05 H new ATOM 0 HD22 ASN A 54 18.716 0.818 0.014 1.00 64.05 H new ATOM 756 N ILE A 55 17.968 -0.199 -3.036 1.00 22.00 N ATOM 757 CA ILE A 55 17.374 -1.532 -2.940 1.00 44.13 C ATOM 758 C ILE A 55 18.311 -2.578 -3.558 1.00 34.00 C ATOM 759 O ILE A 55 19.193 -2.224 -4.353 1.00 12.04 O ATOM 760 CB ILE A 55 15.986 -1.514 -3.607 1.00 15.20 C ATOM 761 CG1 ILE A 55 15.116 -2.701 -3.142 1.00 72.35 C ATOM 762 CG2 ILE A 55 16.071 -1.468 -5.140 1.00 54.45 C ATOM 763 CD1 ILE A 55 13.739 -2.196 -2.724 1.00 23.11 C ATOM 0 H ILE A 55 17.512 0.408 -3.717 1.00 22.00 H new ATOM 0 HA ILE A 55 17.240 -1.812 -1.895 1.00 44.13 H new ATOM 0 HB ILE A 55 15.503 -0.592 -3.283 1.00 15.20 H new ATOM 0 HG12 ILE A 55 15.018 -3.430 -3.947 1.00 72.35 H new ATOM 0 HG13 ILE A 55 15.596 -3.211 -2.307 1.00 72.35 H new ATOM 0 HG21 ILE A 55 15.065 -1.457 -5.560 1.00 54.45 H new ATOM 0 HG22 ILE A 55 16.603 -0.568 -5.448 1.00 54.45 H new ATOM 0 HG23 ILE A 55 16.605 -2.347 -5.501 1.00 54.45 H new ATOM 0 HD11 ILE A 55 13.127 -3.037 -2.396 1.00 23.11 H new ATOM 0 HD12 ILE A 55 13.846 -1.484 -1.906 1.00 23.11 H new ATOM 0 HD13 ILE A 55 13.259 -1.706 -3.571 1.00 23.11 H new ATOM 774 N GLN A 56 18.084 -3.858 -3.255 1.00 21.03 N ATOM 775 CA GLN A 56 18.843 -4.976 -3.788 1.00 74.50 C ATOM 776 C GLN A 56 17.894 -5.992 -4.441 1.00 12.41 C ATOM 777 O GLN A 56 16.735 -6.105 -4.040 1.00 52.33 O ATOM 778 CB GLN A 56 19.650 -5.652 -2.670 1.00 11.55 C ATOM 779 CG GLN A 56 20.375 -4.710 -1.709 1.00 3.43 C ATOM 780 CD GLN A 56 21.397 -3.797 -2.379 1.00 11.33 C ATOM 781 OE1 GLN A 56 22.338 -4.251 -3.025 1.00 64.21 O ATOM 782 NE2 GLN A 56 21.303 -2.489 -2.214 1.00 12.12 N ATOM 0 H GLN A 56 17.345 -4.146 -2.614 1.00 21.03 H new ATOM 0 HA GLN A 56 19.535 -4.602 -4.542 1.00 74.50 H new ATOM 0 HB2 GLN A 56 18.975 -6.282 -2.091 1.00 11.55 H new ATOM 0 HB3 GLN A 56 20.387 -6.311 -3.128 1.00 11.55 H new ATOM 0 HG2 GLN A 56 19.636 -4.094 -1.195 1.00 3.43 H new ATOM 0 HG3 GLN A 56 20.880 -5.304 -0.947 1.00 3.43 H new ATOM 0 HE21 GLN A 56 20.527 -2.097 -1.680 1.00 12.12 H new ATOM 0 HE22 GLN A 56 22.006 -1.872 -2.621 1.00 12.12 H new ATOM 789 N PRO A 57 18.390 -6.820 -5.369 1.00 20.45 N ATOM 790 CA PRO A 57 17.622 -7.869 -6.029 1.00 32.11 C ATOM 791 C PRO A 57 17.248 -9.005 -5.067 1.00 42.30 C ATOM 792 O PRO A 57 16.317 -9.755 -5.337 1.00 71.12 O ATOM 793 CB PRO A 57 18.514 -8.350 -7.178 1.00 63.32 C ATOM 794 CG PRO A 57 19.936 -8.050 -6.699 1.00 71.53 C ATOM 795 CD PRO A 57 19.764 -6.818 -5.814 1.00 4.25 C ATOM 0 HA PRO A 57 16.664 -7.499 -6.394 1.00 32.11 H new ATOM 0 HB2 PRO A 57 18.375 -9.414 -7.372 1.00 63.32 H new ATOM 0 HB3 PRO A 57 18.287 -7.825 -8.106 1.00 63.32 H new ATOM 0 HG2 PRO A 57 20.357 -8.888 -6.143 1.00 71.53 H new ATOM 0 HG3 PRO A 57 20.607 -7.853 -7.535 1.00 71.53 H new ATOM 0 HD2 PRO A 57 20.447 -6.852 -4.965 1.00 4.25 H new ATOM 0 HD3 PRO A 57 19.991 -5.907 -6.369 1.00 4.25 H new ATOM 800 N ALA A 58 17.927 -9.136 -3.923 1.00 42.41 N ATOM 801 CA ALA A 58 17.535 -10.092 -2.898 1.00 3.42 C ATOM 802 C ALA A 58 16.539 -9.492 -1.901 1.00 23.23 C ATOM 803 O ALA A 58 15.814 -10.254 -1.254 1.00 1.54 O ATOM 804 CB ALA A 58 18.790 -10.622 -2.200 1.00 15.34 C ATOM 0 H ALA A 58 18.754 -8.586 -3.689 1.00 42.41 H new ATOM 0 HA ALA A 58 17.015 -10.923 -3.375 1.00 3.42 H new ATOM 0 HB1 ALA A 58 18.503 -11.339 -1.431 1.00 15.34 H new ATOM 0 HB2 ALA A 58 19.433 -11.112 -2.931 1.00 15.34 H new ATOM 0 HB3 ALA A 58 19.328 -9.793 -1.741 1.00 15.34 H new ATOM 810 N ASP A 59 16.453 -8.159 -1.804 1.00 14.12 N ATOM 811 CA ASP A 59 15.555 -7.481 -0.866 1.00 53.10 C ATOM 812 C ASP A 59 14.112 -7.584 -1.331 1.00 12.52 C ATOM 813 O ASP A 59 13.203 -7.616 -0.498 1.00 33.04 O ATOM 814 CB ASP A 59 15.899 -5.988 -0.713 1.00 64.03 C ATOM 815 CG ASP A 59 16.883 -5.719 0.412 1.00 41.21 C ATOM 816 OD1 ASP A 59 16.833 -6.409 1.455 1.00 71.14 O ATOM 817 OD2 ASP A 59 17.710 -4.796 0.278 1.00 3.13 O ATOM 0 H ASP A 59 17.006 -7.521 -2.376 1.00 14.12 H new ATOM 0 HA ASP A 59 15.683 -7.979 0.095 1.00 53.10 H new ATOM 0 HB2 ASP A 59 16.317 -5.619 -1.650 1.00 64.03 H new ATOM 0 HB3 ASP A 59 14.983 -5.427 -0.529 1.00 64.03 H new ATOM 821 N VAL A 60 13.886 -7.652 -2.643 1.00 4.11 N ATOM 822 CA VAL A 60 12.584 -7.990 -3.194 1.00 55.31 C ATOM 823 C VAL A 60 12.312 -9.451 -2.849 1.00 34.22 C ATOM 824 O VAL A 60 11.296 -9.780 -2.236 1.00 22.33 O ATOM 825 CB VAL A 60 12.510 -7.663 -4.703 1.00 12.12 C ATOM 826 CG1 VAL A 60 13.732 -8.111 -5.506 1.00 4.34 C ATOM 827 CG2 VAL A 60 11.271 -8.272 -5.363 1.00 71.13 C ATOM 0 H VAL A 60 14.602 -7.474 -3.348 1.00 4.11 H new ATOM 0 HA VAL A 60 11.792 -7.383 -2.755 1.00 55.31 H new ATOM 0 HB VAL A 60 12.465 -6.574 -4.727 1.00 12.12 H new ATOM 0 HG11 VAL A 60 13.597 -7.843 -6.554 1.00 4.34 H new ATOM 0 HG12 VAL A 60 14.623 -7.619 -5.117 1.00 4.34 H new ATOM 0 HG13 VAL A 60 13.848 -9.191 -5.420 1.00 4.34 H new ATOM 0 HG21 VAL A 60 11.260 -8.017 -6.423 1.00 71.13 H new ATOM 0 HG22 VAL A 60 11.295 -9.356 -5.251 1.00 71.13 H new ATOM 0 HG23 VAL A 60 10.374 -7.878 -4.886 1.00 71.13 H new ATOM 837 N SER A 61 13.240 -10.341 -3.201 1.00 73.03 N ATOM 838 CA SER A 61 12.982 -11.762 -3.174 1.00 32.12 C ATOM 839 C SER A 61 12.681 -12.312 -1.790 1.00 63.34 C ATOM 840 O SER A 61 11.859 -13.216 -1.634 1.00 40.24 O ATOM 841 CB SER A 61 14.105 -12.488 -3.900 1.00 14.24 C ATOM 842 OG SER A 61 13.908 -12.265 -5.274 1.00 51.44 O ATOM 0 H SER A 61 14.180 -10.091 -3.509 1.00 73.03 H new ATOM 0 HA SER A 61 12.052 -11.949 -3.711 1.00 32.12 H new ATOM 0 HB2 SER A 61 15.078 -12.112 -3.582 1.00 14.24 H new ATOM 0 HB3 SER A 61 14.086 -13.554 -3.674 1.00 14.24 H new ATOM 0 HG SER A 61 14.614 -12.716 -5.783 1.00 51.44 H new ATOM 847 N MET A 62 13.259 -11.697 -0.771 1.00 73.13 N ATOM 848 CA MET A 62 13.054 -12.083 0.602 1.00 13.42 C ATOM 849 C MET A 62 11.597 -11.910 1.011 1.00 0.43 C ATOM 850 O MET A 62 11.165 -12.624 1.897 1.00 22.34 O ATOM 851 CB MET A 62 14.059 -11.444 1.560 1.00 63.44 C ATOM 852 CG MET A 62 13.894 -9.944 1.770 1.00 60.10 C ATOM 853 SD MET A 62 15.024 -9.271 3.014 1.00 33.23 S ATOM 854 CE MET A 62 14.493 -10.202 4.476 1.00 2.54 C ATOM 0 H MET A 62 13.892 -10.905 -0.884 1.00 73.13 H new ATOM 0 HA MET A 62 13.263 -13.150 0.679 1.00 13.42 H new ATOM 0 HB2 MET A 62 13.981 -11.941 2.527 1.00 63.44 H new ATOM 0 HB3 MET A 62 15.065 -11.633 1.185 1.00 63.44 H new ATOM 0 HG2 MET A 62 14.059 -9.431 0.823 1.00 60.10 H new ATOM 0 HG3 MET A 62 12.867 -9.736 2.071 1.00 60.10 H new ATOM 0 HE1 MET A 62 14.787 -9.663 5.377 1.00 2.54 H new ATOM 0 HE2 MET A 62 13.409 -10.318 4.460 1.00 2.54 H new ATOM 0 HE3 MET A 62 14.963 -11.185 4.472 1.00 2.54 H new ATOM 862 N ILE A 63 10.819 -11.034 0.379 1.00 73.24 N ATOM 863 CA ILE A 63 9.434 -10.774 0.747 1.00 1.52 C ATOM 864 C ILE A 63 8.518 -11.934 0.350 1.00 35.01 C ATOM 865 O ILE A 63 7.593 -12.256 1.106 1.00 44.52 O ATOM 866 CB ILE A 63 9.014 -9.412 0.142 1.00 15.53 C ATOM 867 CG1 ILE A 63 9.817 -8.254 0.773 1.00 21.35 C ATOM 868 CG2 ILE A 63 7.514 -9.136 0.302 1.00 61.41 C ATOM 869 CD1 ILE A 63 9.864 -7.028 -0.140 1.00 40.12 C ATOM 0 H ILE A 63 11.140 -10.478 -0.414 1.00 73.24 H new ATOM 0 HA ILE A 63 9.337 -10.706 1.830 1.00 1.52 H new ATOM 0 HB ILE A 63 9.234 -9.471 -0.924 1.00 15.53 H new ATOM 0 HG12 ILE A 63 9.368 -7.979 1.727 1.00 21.35 H new ATOM 0 HG13 ILE A 63 10.833 -8.589 0.983 1.00 21.35 H new ATOM 0 HG21 ILE A 63 7.273 -8.169 -0.139 1.00 61.41 H new ATOM 0 HG22 ILE A 63 6.945 -9.917 -0.202 1.00 61.41 H new ATOM 0 HG23 ILE A 63 7.257 -9.126 1.361 1.00 61.41 H new ATOM 0 HD11 ILE A 63 10.438 -6.237 0.342 1.00 40.12 H new ATOM 0 HD12 ILE A 63 10.337 -7.296 -1.085 1.00 40.12 H new ATOM 0 HD13 ILE A 63 8.850 -6.676 -0.329 1.00 40.12 H new ATOM 880 N LYS A 64 8.775 -12.610 -0.778 1.00 15.14 N ATOM 881 CA LYS A 64 7.977 -13.781 -1.173 1.00 64.14 C ATOM 882 C LYS A 64 8.064 -14.860 -0.112 1.00 14.33 C ATOM 883 O LYS A 64 7.054 -15.480 0.231 1.00 15.32 O ATOM 884 CB LYS A 64 8.439 -14.345 -2.525 1.00 73.02 C ATOM 885 CG LYS A 64 8.264 -13.325 -3.660 1.00 13.32 C ATOM 886 CD LYS A 64 9.598 -12.967 -4.309 1.00 43.24 C ATOM 887 CE LYS A 64 10.086 -14.025 -5.306 1.00 0.41 C ATOM 888 NZ LYS A 64 11.464 -13.767 -5.785 1.00 75.31 N ATOM 0 H LYS A 64 9.523 -12.370 -1.429 1.00 15.14 H new ATOM 0 HA LYS A 64 6.942 -13.456 -1.275 1.00 64.14 H new ATOM 0 HB2 LYS A 64 9.487 -14.637 -2.458 1.00 73.02 H new ATOM 0 HB3 LYS A 64 7.871 -15.246 -2.756 1.00 73.02 H new ATOM 0 HG2 LYS A 64 7.590 -13.732 -4.414 1.00 13.32 H new ATOM 0 HG3 LYS A 64 7.796 -12.422 -3.268 1.00 13.32 H new ATOM 0 HD2 LYS A 64 9.500 -12.011 -4.822 1.00 43.24 H new ATOM 0 HD3 LYS A 64 10.350 -12.836 -3.531 1.00 43.24 H new ATOM 0 HE2 LYS A 64 10.047 -15.007 -4.835 1.00 0.41 H new ATOM 0 HE3 LYS A 64 9.409 -14.054 -6.159 1.00 0.41 H new ATOM 0 HZ1 LYS A 64 11.528 -13.996 -6.797 1.00 75.31 H new ATOM 0 HZ2 LYS A 64 11.699 -12.764 -5.641 1.00 75.31 H new ATOM 0 HZ3 LYS A 64 12.133 -14.359 -5.253 1.00 75.31 H new ATOM 898 N LYS A 65 9.249 -15.011 0.481 1.00 1.54 N ATOM 899 CA LYS A 65 9.516 -16.021 1.489 1.00 12.45 C ATOM 900 C LYS A 65 8.662 -15.845 2.738 1.00 44.34 C ATOM 901 O LYS A 65 8.463 -16.825 3.458 1.00 21.32 O ATOM 902 CB LYS A 65 11.010 -15.984 1.848 1.00 75.01 C ATOM 903 CG LYS A 65 11.884 -16.692 0.805 1.00 72.40 C ATOM 904 CD LYS A 65 13.012 -15.796 0.297 1.00 32.41 C ATOM 905 CE LYS A 65 14.217 -15.577 1.240 1.00 21.25 C ATOM 906 NZ LYS A 65 13.903 -15.015 2.580 1.00 54.33 N ATOM 0 H LYS A 65 10.056 -14.425 0.268 1.00 1.54 H new ATOM 0 HA LYS A 65 9.251 -16.992 1.071 1.00 12.45 H new ATOM 0 HB2 LYS A 65 11.332 -14.947 1.943 1.00 75.01 H new ATOM 0 HB3 LYS A 65 11.158 -16.454 2.820 1.00 75.01 H new ATOM 0 HG2 LYS A 65 12.308 -17.596 1.242 1.00 72.40 H new ATOM 0 HG3 LYS A 65 11.264 -17.005 -0.035 1.00 72.40 H new ATOM 0 HD2 LYS A 65 13.385 -16.218 -0.636 1.00 32.41 H new ATOM 0 HD3 LYS A 65 12.588 -14.821 0.058 1.00 32.41 H new ATOM 0 HE2 LYS A 65 14.723 -16.533 1.378 1.00 21.25 H new ATOM 0 HE3 LYS A 65 14.924 -14.911 0.745 1.00 21.25 H new ATOM 0 HZ1 LYS A 65 14.778 -14.674 3.027 1.00 54.33 H new ATOM 0 HZ2 LYS A 65 13.236 -14.224 2.477 1.00 54.33 H new ATOM 0 HZ3 LYS A 65 13.475 -15.753 3.174 1.00 54.33 H new ATOM 916 N GLN A 66 8.138 -14.642 2.975 1.00 35.41 N ATOM 917 CA GLN A 66 7.288 -14.346 4.118 1.00 12.45 C ATOM 918 C GLN A 66 5.789 -14.408 3.773 1.00 3.25 C ATOM 919 O GLN A 66 4.966 -13.966 4.578 1.00 24.24 O ATOM 920 CB GLN A 66 7.719 -13.004 4.728 1.00 55.32 C ATOM 921 CG GLN A 66 8.978 -13.128 5.603 1.00 35.23 C ATOM 922 CD GLN A 66 10.275 -12.985 4.827 1.00 51.43 C ATOM 923 OE1 GLN A 66 10.997 -13.943 4.567 1.00 62.42 O ATOM 924 NE2 GLN A 66 10.624 -11.767 4.454 1.00 13.55 N ATOM 0 H GLN A 66 8.297 -13.838 2.368 1.00 35.41 H new ATOM 0 HA GLN A 66 7.422 -15.122 4.872 1.00 12.45 H new ATOM 0 HB2 GLN A 66 7.907 -12.289 3.927 1.00 55.32 H new ATOM 0 HB3 GLN A 66 6.902 -12.603 5.328 1.00 55.32 H new ATOM 0 HG2 GLN A 66 8.945 -12.367 6.382 1.00 35.23 H new ATOM 0 HG3 GLN A 66 8.969 -14.096 6.103 1.00 35.23 H new ATOM 0 HE21 GLN A 66 10.021 -10.974 4.672 1.00 13.55 H new ATOM 0 HE22 GLN A 66 11.497 -11.619 3.947 1.00 13.55 H new ATOM 931 N GLY A 67 5.423 -14.968 2.614 1.00 42.50 N ATOM 932 CA GLY A 67 4.037 -15.291 2.284 1.00 72.23 C ATOM 933 C GLY A 67 3.357 -14.268 1.382 1.00 72.42 C ATOM 934 O GLY A 67 2.128 -14.160 1.389 1.00 64.10 O ATOM 0 H GLY A 67 6.086 -15.210 1.878 1.00 42.50 H new ATOM 0 HA2 GLY A 67 4.009 -16.265 1.796 1.00 72.23 H new ATOM 0 HA3 GLY A 67 3.466 -15.381 3.208 1.00 72.23 H new ATOM 938 N THR A 68 4.150 -13.512 0.626 1.00 12.11 N ATOM 939 CA THR A 68 3.691 -12.403 -0.203 1.00 54.54 C ATOM 940 C THR A 68 3.612 -12.847 -1.671 1.00 44.14 C ATOM 941 O THR A 68 4.237 -13.844 -2.046 1.00 31.23 O ATOM 942 CB THR A 68 4.677 -11.235 -0.018 1.00 71.03 C ATOM 943 OG1 THR A 68 5.070 -11.107 1.339 1.00 41.11 O ATOM 944 CG2 THR A 68 4.093 -9.896 -0.472 1.00 52.32 C ATOM 0 H THR A 68 5.158 -13.659 0.573 1.00 12.11 H new ATOM 0 HA THR A 68 2.692 -12.082 0.093 1.00 54.54 H new ATOM 0 HB THR A 68 5.538 -11.474 -0.642 1.00 71.03 H new ATOM 0 HG1 THR A 68 5.977 -11.461 1.452 1.00 41.11 H new ATOM 0 HG21 THR A 68 4.830 -9.107 -0.319 1.00 52.32 H new ATOM 0 HG22 THR A 68 3.835 -9.952 -1.529 1.00 52.32 H new ATOM 0 HG23 THR A 68 3.198 -9.674 0.109 1.00 52.32 H new ATOM 952 N THR A 69 2.910 -12.090 -2.515 1.00 71.14 N ATOM 953 CA THR A 69 2.901 -12.241 -3.968 1.00 75.52 C ATOM 954 C THR A 69 3.251 -10.904 -4.608 1.00 73.43 C ATOM 955 O THR A 69 3.283 -9.878 -3.925 1.00 33.32 O ATOM 956 CB THR A 69 1.526 -12.731 -4.456 1.00 12.43 C ATOM 957 OG1 THR A 69 0.481 -11.931 -3.941 1.00 0.24 O ATOM 958 CG2 THR A 69 1.291 -14.170 -4.006 1.00 35.33 C ATOM 0 H THR A 69 2.312 -11.329 -2.193 1.00 71.14 H new ATOM 0 HA THR A 69 3.641 -12.987 -4.258 1.00 75.52 H new ATOM 0 HB THR A 69 1.526 -12.666 -5.544 1.00 12.43 H new ATOM 0 HG1 THR A 69 -0.379 -12.266 -4.270 1.00 0.24 H new ATOM 0 HG21 THR A 69 0.315 -14.506 -4.357 1.00 35.33 H new ATOM 0 HG22 THR A 69 2.067 -14.813 -4.422 1.00 35.33 H new ATOM 0 HG23 THR A 69 1.322 -14.221 -2.918 1.00 35.33 H new ATOM 966 N LEU A 70 3.473 -10.924 -5.924 1.00 15.01 N ATOM 967 CA LEU A 70 3.626 -9.738 -6.750 1.00 2.23 C ATOM 968 C LEU A 70 2.440 -8.836 -6.501 1.00 31.41 C ATOM 969 O LEU A 70 2.559 -7.645 -6.238 1.00 23.44 O ATOM 970 CB LEU A 70 3.596 -10.169 -8.226 1.00 42.31 C ATOM 971 CG LEU A 70 4.064 -9.122 -9.244 1.00 11.02 C ATOM 972 CD1 LEU A 70 3.291 -9.240 -10.550 1.00 4.22 C ATOM 973 CD2 LEU A 70 4.240 -7.666 -8.815 1.00 3.42 C ATOM 0 H LEU A 70 3.552 -11.792 -6.453 1.00 15.01 H new ATOM 0 HA LEU A 70 4.560 -9.226 -6.518 1.00 2.23 H new ATOM 0 HB2 LEU A 70 4.218 -11.057 -8.337 1.00 42.31 H new ATOM 0 HB3 LEU A 70 2.576 -10.460 -8.478 1.00 42.31 H new ATOM 0 HG LEU A 70 5.107 -9.410 -9.374 1.00 11.02 H new ATOM 0 HD11 LEU A 70 3.645 -8.485 -11.252 1.00 4.22 H new ATOM 0 HD12 LEU A 70 3.445 -10.232 -10.976 1.00 4.22 H new ATOM 0 HD13 LEU A 70 2.229 -9.088 -10.359 1.00 4.22 H new ATOM 0 HD21 LEU A 70 4.576 -7.074 -9.666 1.00 3.42 H new ATOM 0 HD22 LEU A 70 3.289 -7.276 -8.454 1.00 3.42 H new ATOM 0 HD23 LEU A 70 4.982 -7.609 -8.018 1.00 3.42 H new ATOM 984 N GLU A 71 1.282 -9.471 -6.595 1.00 61.31 N ATOM 985 CA GLU A 71 0.027 -8.809 -6.809 1.00 42.04 C ATOM 986 C GLU A 71 -0.385 -7.937 -5.606 1.00 35.22 C ATOM 987 O GLU A 71 -1.261 -7.075 -5.688 1.00 32.35 O ATOM 988 CB GLU A 71 -1.024 -9.914 -7.000 1.00 21.51 C ATOM 989 CG GLU A 71 -2.055 -9.471 -8.018 1.00 34.32 C ATOM 990 CD GLU A 71 -3.414 -10.141 -7.824 1.00 55.00 C ATOM 991 OE1 GLU A 71 -3.537 -11.389 -7.797 1.00 11.45 O ATOM 992 OE2 GLU A 71 -4.407 -9.393 -7.682 1.00 62.51 O ATOM 0 H GLU A 71 1.199 -10.485 -6.521 1.00 61.31 H new ATOM 0 HA GLU A 71 0.109 -8.149 -7.673 1.00 42.04 H new ATOM 0 HB2 GLU A 71 -0.542 -10.833 -7.333 1.00 21.51 H new ATOM 0 HB3 GLU A 71 -1.510 -10.135 -6.049 1.00 21.51 H new ATOM 0 HG2 GLU A 71 -2.177 -8.390 -7.956 1.00 34.32 H new ATOM 0 HG3 GLU A 71 -1.687 -9.693 -9.020 1.00 34.32 H new ATOM 997 N MET A 72 0.210 -8.245 -4.454 1.00 51.34 N ATOM 998 CA MET A 72 0.069 -7.540 -3.189 1.00 11.24 C ATOM 999 C MET A 72 0.817 -6.203 -3.238 1.00 14.13 C ATOM 1000 O MET A 72 0.385 -5.216 -2.643 1.00 55.20 O ATOM 1001 CB MET A 72 0.660 -8.436 -2.081 1.00 73.22 C ATOM 1002 CG MET A 72 -0.327 -8.670 -0.947 1.00 41.11 C ATOM 1003 SD MET A 72 0.247 -9.897 0.247 1.00 71.44 S ATOM 1004 CE MET A 72 -0.262 -11.407 -0.602 1.00 34.33 C ATOM 0 H MET A 72 0.841 -9.043 -4.379 1.00 51.34 H new ATOM 0 HA MET A 72 -0.982 -7.330 -2.990 1.00 11.24 H new ATOM 0 HB2 MET A 72 0.954 -9.395 -2.509 1.00 73.22 H new ATOM 0 HB3 MET A 72 1.564 -7.973 -1.685 1.00 73.22 H new ATOM 0 HG2 MET A 72 -0.509 -7.727 -0.431 1.00 41.11 H new ATOM 0 HG3 MET A 72 -1.280 -8.995 -1.364 1.00 41.11 H new ATOM 0 HE1 MET A 72 -1.194 -11.771 -0.170 1.00 34.33 H new ATOM 0 HE2 MET A 72 -0.411 -11.196 -1.661 1.00 34.33 H new ATOM 0 HE3 MET A 72 0.511 -12.167 -0.489 1.00 34.33 H new ATOM 1012 N ILE A 73 1.968 -6.177 -3.911 1.00 34.45 N ATOM 1013 CA ILE A 73 2.842 -5.023 -4.020 1.00 43.34 C ATOM 1014 C ILE A 73 2.165 -4.001 -4.930 1.00 41.31 C ATOM 1015 O ILE A 73 2.018 -2.850 -4.530 1.00 15.33 O ATOM 1016 CB ILE A 73 4.246 -5.467 -4.509 1.00 51.43 C ATOM 1017 CG1 ILE A 73 4.859 -6.586 -3.630 1.00 55.24 C ATOM 1018 CG2 ILE A 73 5.236 -4.297 -4.623 1.00 22.54 C ATOM 1019 CD1 ILE A 73 4.871 -6.325 -2.113 1.00 74.40 C ATOM 0 H ILE A 73 2.324 -6.992 -4.411 1.00 34.45 H new ATOM 0 HA ILE A 73 3.005 -4.547 -3.053 1.00 43.34 H new ATOM 0 HB ILE A 73 4.079 -5.869 -5.508 1.00 51.43 H new ATOM 0 HG12 ILE A 73 4.308 -7.508 -3.815 1.00 55.24 H new ATOM 0 HG13 ILE A 73 5.885 -6.756 -3.957 1.00 55.24 H new ATOM 0 HG21 ILE A 73 6.200 -4.669 -4.969 1.00 22.54 H new ATOM 0 HG22 ILE A 73 4.853 -3.564 -5.334 1.00 22.54 H new ATOM 0 HG23 ILE A 73 5.358 -3.827 -3.647 1.00 22.54 H new ATOM 0 HD11 ILE A 73 5.323 -7.175 -1.601 1.00 74.40 H new ATOM 0 HD12 ILE A 73 5.450 -5.426 -1.903 1.00 74.40 H new ATOM 0 HD13 ILE A 73 3.849 -6.189 -1.759 1.00 74.40 H new ATOM 1030 N THR A 74 1.688 -4.416 -6.104 1.00 64.30 N ATOM 1031 CA THR A 74 0.950 -3.564 -7.038 1.00 12.32 C ATOM 1032 C THR A 74 -0.257 -2.915 -6.355 1.00 75.42 C ATOM 1033 O THR A 74 -0.601 -1.771 -6.660 1.00 2.03 O ATOM 1034 CB THR A 74 0.526 -4.401 -8.263 1.00 74.10 C ATOM 1035 OG1 THR A 74 0.022 -5.650 -7.855 1.00 44.04 O ATOM 1036 CG2 THR A 74 1.702 -4.665 -9.200 1.00 34.43 C ATOM 0 H THR A 74 1.806 -5.372 -6.439 1.00 64.30 H new ATOM 0 HA THR A 74 1.597 -2.753 -7.374 1.00 12.32 H new ATOM 0 HB THR A 74 -0.238 -3.825 -8.786 1.00 74.10 H new ATOM 0 HG1 THR A 74 -0.378 -5.566 -6.964 1.00 44.04 H new ATOM 0 HG21 THR A 74 1.364 -5.257 -10.050 1.00 34.43 H new ATOM 0 HG22 THR A 74 2.104 -3.716 -9.555 1.00 34.43 H new ATOM 0 HG23 THR A 74 2.479 -5.210 -8.664 1.00 34.43 H new ATOM 1044 N ALA A 75 -0.918 -3.613 -5.429 1.00 71.44 N ATOM 1045 CA ALA A 75 -2.051 -3.055 -4.715 1.00 23.52 C ATOM 1046 C ALA A 75 -1.636 -1.974 -3.719 1.00 0.03 C ATOM 1047 O ALA A 75 -2.159 -0.857 -3.781 1.00 55.25 O ATOM 1048 CB ALA A 75 -2.816 -4.164 -4.017 1.00 0.22 C ATOM 0 H ALA A 75 -0.681 -4.568 -5.161 1.00 71.44 H new ATOM 0 HA ALA A 75 -2.699 -2.573 -5.447 1.00 23.52 H new ATOM 0 HB1 ALA A 75 -3.666 -3.739 -3.482 1.00 0.22 H new ATOM 0 HB2 ALA A 75 -3.174 -4.880 -4.756 1.00 0.22 H new ATOM 0 HB3 ALA A 75 -2.159 -4.670 -3.310 1.00 0.22 H new ATOM 1054 N TRP A 76 -0.727 -2.294 -2.789 1.00 41.14 N ATOM 1055 CA TRP A 76 -0.312 -1.340 -1.768 1.00 1.22 C ATOM 1056 C TRP A 76 0.432 -0.166 -2.400 1.00 12.52 C ATOM 1057 O TRP A 76 0.376 0.939 -1.867 1.00 13.22 O ATOM 1058 CB TRP A 76 0.517 -2.033 -0.678 1.00 22.31 C ATOM 1059 CG TRP A 76 -0.313 -2.715 0.367 1.00 24.42 C ATOM 1060 CD1 TRP A 76 -0.651 -4.024 0.388 1.00 54.43 C ATOM 1061 CD2 TRP A 76 -1.032 -2.104 1.481 1.00 53.14 C ATOM 1062 NE1 TRP A 76 -1.510 -4.264 1.437 1.00 32.21 N ATOM 1063 CE2 TRP A 76 -1.805 -3.112 2.128 1.00 41.30 C ATOM 1064 CE3 TRP A 76 -1.169 -0.784 1.961 1.00 53.23 C ATOM 1065 CZ2 TRP A 76 -2.696 -2.819 3.171 1.00 43.44 C ATOM 1066 CZ3 TRP A 76 -2.052 -0.479 3.015 1.00 54.13 C ATOM 1067 CH2 TRP A 76 -2.819 -1.494 3.613 1.00 60.22 C ATOM 0 H TRP A 76 -0.270 -3.204 -2.727 1.00 41.14 H new ATOM 0 HA TRP A 76 -1.201 -0.936 -1.284 1.00 1.22 H new ATOM 0 HB2 TRP A 76 1.173 -2.768 -1.145 1.00 22.31 H new ATOM 0 HB3 TRP A 76 1.157 -1.294 -0.196 1.00 22.31 H new ATOM 0 HD1 TRP A 76 -0.300 -4.768 -0.312 1.00 54.43 H new ATOM 0 HE1 TRP A 76 -1.882 -5.184 1.673 1.00 32.21 H new ATOM 0 HE3 TRP A 76 -0.586 0.007 1.512 1.00 53.23 H new ATOM 0 HZ2 TRP A 76 -3.280 -3.604 3.628 1.00 43.44 H new ATOM 0 HZ3 TRP A 76 -2.140 0.539 3.365 1.00 54.13 H new ATOM 0 HH2 TRP A 76 -3.503 -1.253 4.413 1.00 60.22 H new ATOM 1077 N GLN A 77 1.082 -0.372 -3.545 1.00 75.41 N ATOM 1078 CA GLN A 77 1.689 0.677 -4.332 1.00 23.33 C ATOM 1079 C GLN A 77 0.634 1.686 -4.724 1.00 61.12 C ATOM 1080 O GLN A 77 0.757 2.858 -4.377 1.00 40.03 O ATOM 1081 CB GLN A 77 2.329 0.065 -5.573 1.00 63.55 C ATOM 1082 CG GLN A 77 3.049 1.098 -6.432 1.00 34.31 C ATOM 1083 CD GLN A 77 3.913 0.437 -7.493 1.00 31.50 C ATOM 1084 OE1 GLN A 77 4.363 -0.696 -7.360 1.00 33.11 O ATOM 1085 NE2 GLN A 77 4.201 1.147 -8.561 1.00 41.32 N ATOM 0 H GLN A 77 1.199 -1.300 -3.953 1.00 75.41 H new ATOM 0 HA GLN A 77 2.458 1.184 -3.749 1.00 23.33 H new ATOM 0 HB2 GLN A 77 3.037 -0.706 -5.269 1.00 63.55 H new ATOM 0 HB3 GLN A 77 1.560 -0.425 -6.170 1.00 63.55 H new ATOM 0 HG2 GLN A 77 2.317 1.748 -6.911 1.00 34.31 H new ATOM 0 HG3 GLN A 77 3.670 1.730 -5.798 1.00 34.31 H new ATOM 0 HE21 GLN A 77 3.823 2.089 -8.665 1.00 41.32 H new ATOM 0 HE22 GLN A 77 4.803 0.756 -9.286 1.00 41.32 H new ATOM 1092 N ASP A 78 -0.383 1.237 -5.456 1.00 60.34 N ATOM 1093 CA ASP A 78 -1.376 2.119 -6.045 1.00 53.02 C ATOM 1094 C ASP A 78 -2.138 2.873 -4.961 1.00 4.34 C ATOM 1095 O ASP A 78 -2.427 4.065 -5.091 1.00 22.40 O ATOM 1096 CB ASP A 78 -2.351 1.311 -6.902 1.00 51.23 C ATOM 1097 CG ASP A 78 -2.897 2.271 -7.961 1.00 64.33 C ATOM 1098 OD1 ASP A 78 -2.175 2.519 -8.954 1.00 20.12 O ATOM 1099 OD2 ASP A 78 -3.949 2.908 -7.726 1.00 31.51 O ATOM 0 H ASP A 78 -0.538 0.249 -5.655 1.00 60.34 H new ATOM 0 HA ASP A 78 -0.862 2.845 -6.675 1.00 53.02 H new ATOM 0 HB2 ASP A 78 -1.848 0.464 -7.369 1.00 51.23 H new ATOM 0 HB3 ASP A 78 -3.159 0.905 -6.293 1.00 51.23 H new ATOM 1103 N PHE A 79 -2.399 2.191 -3.845 1.00 14.21 N ATOM 1104 CA PHE A 79 -3.021 2.759 -2.664 1.00 73.13 C ATOM 1105 C PHE A 79 -2.223 3.954 -2.114 1.00 55.24 C ATOM 1106 O PHE A 79 -2.822 4.879 -1.566 1.00 32.13 O ATOM 1107 CB PHE A 79 -3.194 1.633 -1.643 1.00 44.14 C ATOM 1108 CG PHE A 79 -3.684 2.119 -0.305 1.00 11.23 C ATOM 1109 CD1 PHE A 79 -5.025 2.509 -0.146 1.00 52.44 C ATOM 1110 CD2 PHE A 79 -2.776 2.259 0.757 1.00 4.44 C ATOM 1111 CE1 PHE A 79 -5.450 3.085 1.062 1.00 31.21 C ATOM 1112 CE2 PHE A 79 -3.206 2.811 1.972 1.00 2.11 C ATOM 1113 CZ PHE A 79 -4.533 3.252 2.114 1.00 53.45 C ATOM 0 H PHE A 79 -2.175 1.201 -3.742 1.00 14.21 H new ATOM 0 HA PHE A 79 -4.000 3.171 -2.911 1.00 73.13 H new ATOM 0 HB2 PHE A 79 -3.898 0.899 -2.036 1.00 44.14 H new ATOM 0 HB3 PHE A 79 -2.241 1.121 -1.510 1.00 44.14 H new ATOM 0 HD1 PHE A 79 -5.728 2.366 -0.953 1.00 52.44 H new ATOM 0 HD2 PHE A 79 -1.750 1.943 0.638 1.00 4.44 H new ATOM 0 HE1 PHE A 79 -6.477 3.398 1.182 1.00 31.21 H new ATOM 0 HE2 PHE A 79 -2.517 2.897 2.799 1.00 2.11 H new ATOM 0 HZ PHE A 79 -4.849 3.721 3.034 1.00 53.45 H new ATOM 1122 N TYR A 80 -0.897 3.979 -2.283 1.00 11.23 N ATOM 1123 CA TYR A 80 -0.050 5.123 -1.956 1.00 51.31 C ATOM 1124 C TYR A 80 0.131 6.108 -3.125 1.00 41.21 C ATOM 1125 O TYR A 80 0.322 7.305 -2.888 1.00 63.22 O ATOM 1126 CB TYR A 80 1.317 4.619 -1.472 1.00 1.14 C ATOM 1127 CG TYR A 80 1.304 3.912 -0.133 1.00 23.20 C ATOM 1128 CD1 TYR A 80 0.712 4.525 0.981 1.00 41.34 C ATOM 1129 CD2 TYR A 80 1.842 2.620 -0.008 1.00 3.51 C ATOM 1130 CE1 TYR A 80 0.531 3.808 2.168 1.00 73.03 C ATOM 1131 CE2 TYR A 80 1.657 1.884 1.176 1.00 52.32 C ATOM 1132 CZ TYR A 80 0.959 2.468 2.256 1.00 63.01 C ATOM 1133 OH TYR A 80 0.763 1.776 3.407 1.00 21.24 O ATOM 0 H TYR A 80 -0.375 3.187 -2.659 1.00 11.23 H new ATOM 0 HA TYR A 80 -0.555 5.680 -1.167 1.00 51.31 H new ATOM 0 HB2 TYR A 80 1.722 3.938 -2.221 1.00 1.14 H new ATOM 0 HB3 TYR A 80 1.999 5.467 -1.411 1.00 1.14 H new ATOM 0 HD1 TYR A 80 0.394 5.556 0.922 1.00 41.34 H new ATOM 0 HD2 TYR A 80 2.401 2.190 -0.826 1.00 3.51 H new ATOM 0 HE1 TYR A 80 0.063 4.282 3.018 1.00 73.03 H new ATOM 0 HE2 TYR A 80 2.046 0.880 1.259 1.00 52.32 H new ATOM 0 HH TYR A 80 0.154 1.027 3.239 1.00 21.24 H new ATOM 1142 N GLU A 81 0.100 5.661 -4.382 1.00 35.44 N ATOM 1143 CA GLU A 81 0.158 6.533 -5.563 1.00 63.55 C ATOM 1144 C GLU A 81 -1.011 7.518 -5.569 1.00 40.42 C ATOM 1145 O GLU A 81 -0.858 8.699 -5.887 1.00 21.44 O ATOM 1146 CB GLU A 81 0.199 5.699 -6.854 1.00 23.21 C ATOM 1147 CG GLU A 81 1.540 4.958 -7.001 1.00 31.31 C ATOM 1148 CD GLU A 81 1.802 4.330 -8.375 1.00 41.21 C ATOM 1149 OE1 GLU A 81 1.067 4.625 -9.352 1.00 1.04 O ATOM 1150 OE2 GLU A 81 2.846 3.656 -8.533 1.00 2.12 O ATOM 0 H GLU A 81 0.033 4.670 -4.614 1.00 35.44 H new ATOM 0 HA GLU A 81 1.078 7.115 -5.516 1.00 63.55 H new ATOM 0 HB2 GLU A 81 -0.618 4.978 -6.849 1.00 23.21 H new ATOM 0 HB3 GLU A 81 0.045 6.350 -7.715 1.00 23.21 H new ATOM 0 HG2 GLU A 81 2.347 5.657 -6.781 1.00 31.31 H new ATOM 0 HG3 GLU A 81 1.585 4.172 -6.247 1.00 31.31 H new ATOM 1155 N GLN A 82 -2.178 7.060 -5.147 1.00 74.34 N ATOM 1156 CA GLN A 82 -3.402 7.851 -5.187 1.00 21.14 C ATOM 1157 C GLN A 82 -3.527 8.859 -4.041 1.00 52.14 C ATOM 1158 O GLN A 82 -4.438 9.688 -4.037 1.00 41.21 O ATOM 1159 CB GLN A 82 -4.604 6.910 -5.275 1.00 13.21 C ATOM 1160 CG GLN A 82 -4.682 6.188 -6.634 1.00 24.41 C ATOM 1161 CD GLN A 82 -4.493 7.139 -7.809 1.00 2.41 C ATOM 1162 OE1 GLN A 82 -5.200 8.132 -7.929 1.00 20.53 O ATOM 1163 NE2 GLN A 82 -3.492 6.933 -8.646 1.00 63.33 N ATOM 0 H GLN A 82 -2.306 6.123 -4.764 1.00 74.34 H new ATOM 0 HA GLN A 82 -3.367 8.473 -6.081 1.00 21.14 H new ATOM 0 HB2 GLN A 82 -4.543 6.171 -4.476 1.00 13.21 H new ATOM 0 HB3 GLN A 82 -5.520 7.478 -5.115 1.00 13.21 H new ATOM 0 HG2 GLN A 82 -3.919 5.410 -6.673 1.00 24.41 H new ATOM 0 HG3 GLN A 82 -5.648 5.692 -6.724 1.00 24.41 H new ATOM 0 HE21 GLN A 82 -2.904 6.106 -8.544 1.00 63.33 H new ATOM 0 HE22 GLN A 82 -3.307 7.601 -9.394 1.00 63.33 H new ATOM 1170 N GLU A 83 -2.580 8.853 -3.114 1.00 21.33 N ATOM 1171 CA GLU A 83 -2.407 9.904 -2.112 1.00 61.41 C ATOM 1172 C GLU A 83 -1.605 11.086 -2.657 1.00 52.31 C ATOM 1173 O GLU A 83 -1.541 12.138 -2.019 1.00 53.52 O ATOM 1174 CB GLU A 83 -1.651 9.371 -0.893 1.00 22.30 C ATOM 1175 CG GLU A 83 -2.171 8.045 -0.343 1.00 12.10 C ATOM 1176 CD GLU A 83 -3.568 8.114 0.281 1.00 60.21 C ATOM 1177 OE1 GLU A 83 -4.459 8.839 -0.205 1.00 44.51 O ATOM 1178 OE2 GLU A 83 -3.789 7.428 1.301 1.00 23.24 O ATOM 0 H GLU A 83 -1.894 8.103 -3.033 1.00 21.33 H new ATOM 0 HA GLU A 83 -3.410 10.231 -1.839 1.00 61.41 H new ATOM 0 HB2 GLU A 83 -0.601 9.250 -1.159 1.00 22.30 H new ATOM 0 HB3 GLU A 83 -1.695 10.118 -0.101 1.00 22.30 H new ATOM 0 HG2 GLU A 83 -2.184 7.313 -1.150 1.00 12.10 H new ATOM 0 HG3 GLU A 83 -1.470 7.679 0.408 1.00 12.10 H new ATOM 1183 N GLN A 84 -0.939 10.910 -3.798 1.00 71.55 N ATOM 1184 CA GLN A 84 0.009 11.886 -4.318 1.00 51.44 C ATOM 1185 C GLN A 84 -0.641 12.844 -5.313 1.00 34.24 C ATOM 1186 O GLN A 84 -0.234 14.003 -5.370 1.00 14.14 O ATOM 1187 CB GLN A 84 1.204 11.154 -4.927 1.00 64.51 C ATOM 1188 CG GLN A 84 2.068 10.531 -3.827 1.00 40.33 C ATOM 1189 CD GLN A 84 2.969 9.486 -4.444 1.00 20.13 C ATOM 1190 OE1 GLN A 84 3.902 9.811 -5.167 1.00 55.41 O ATOM 1191 NE2 GLN A 84 2.708 8.223 -4.173 1.00 35.33 N ATOM 0 H GLN A 84 -1.044 10.084 -4.387 1.00 71.55 H new ATOM 0 HA GLN A 84 0.359 12.506 -3.493 1.00 51.44 H new ATOM 0 HB2 GLN A 84 0.854 10.377 -5.607 1.00 64.51 H new ATOM 0 HB3 GLN A 84 1.801 11.849 -5.517 1.00 64.51 H new ATOM 0 HG2 GLN A 84 2.664 11.300 -3.335 1.00 40.33 H new ATOM 0 HG3 GLN A 84 1.436 10.080 -3.062 1.00 40.33 H new ATOM 0 HE21 GLN A 84 1.923 7.983 -3.567 1.00 35.33 H new ATOM 0 HE22 GLN A 84 3.291 7.485 -4.569 1.00 35.33 H new ATOM 1198 N GLN A 85 -1.656 12.397 -6.056 1.00 40.25 N ATOM 1199 CA GLN A 85 -2.527 13.283 -6.826 1.00 64.41 C ATOM 1200 C GLN A 85 -3.206 14.282 -5.886 1.00 72.23 C ATOM 1201 O GLN A 85 -2.985 15.487 -6.011 1.00 73.52 O ATOM 1202 CB GLN A 85 -3.527 12.499 -7.699 1.00 15.22 C ATOM 1203 CG GLN A 85 -4.190 11.247 -7.092 1.00 34.53 C ATOM 1204 CD GLN A 85 -5.709 11.362 -6.962 1.00 72.11 C ATOM 1205 OE1 GLN A 85 -6.404 11.889 -7.825 1.00 42.11 O ATOM 1206 NE2 GLN A 85 -6.246 10.905 -5.849 1.00 53.13 N ATOM 0 H GLN A 85 -1.896 11.409 -6.140 1.00 40.25 H new ATOM 0 HA GLN A 85 -1.918 13.850 -7.531 1.00 64.41 H new ATOM 0 HB2 GLN A 85 -4.320 13.185 -7.997 1.00 15.22 H new ATOM 0 HB3 GLN A 85 -3.009 12.195 -8.609 1.00 15.22 H new ATOM 0 HG2 GLN A 85 -3.951 10.383 -7.712 1.00 34.53 H new ATOM 0 HG3 GLN A 85 -3.762 11.061 -6.107 1.00 34.53 H new ATOM 0 HE21 GLN A 85 -5.657 10.469 -5.140 1.00 53.13 H new ATOM 0 HE22 GLN A 85 -7.251 10.987 -5.697 1.00 53.13 H new ATOM 1213 N ARG A 86 -3.966 13.787 -4.897 1.00 34.31 N ATOM 1214 CA ARG A 86 -4.744 14.633 -3.988 1.00 75.45 C ATOM 1215 C ARG A 86 -3.917 15.724 -3.323 1.00 43.23 C ATOM 1216 O ARG A 86 -4.432 16.821 -3.127 1.00 12.41 O ATOM 1217 CB ARG A 86 -5.493 13.816 -2.923 1.00 22.22 C ATOM 1218 CG ARG A 86 -4.569 12.992 -2.014 1.00 72.33 C ATOM 1219 CD ARG A 86 -5.316 12.211 -0.932 1.00 21.21 C ATOM 1220 NE ARG A 86 -4.489 12.033 0.280 1.00 60.45 N ATOM 1221 CZ ARG A 86 -4.964 11.655 1.473 1.00 22.23 C ATOM 1222 NH1 ARG A 86 -6.198 11.179 1.584 1.00 71.32 N ATOM 1223 NH2 ARG A 86 -4.205 11.763 2.562 1.00 11.30 N ATOM 0 H ARG A 86 -4.056 12.789 -4.708 1.00 34.31 H new ATOM 0 HA ARG A 86 -5.479 15.124 -4.626 1.00 75.45 H new ATOM 0 HB2 ARG A 86 -6.084 14.494 -2.307 1.00 22.22 H new ATOM 0 HB3 ARG A 86 -6.193 13.144 -3.419 1.00 22.22 H new ATOM 0 HG2 ARG A 86 -3.998 12.294 -2.626 1.00 72.33 H new ATOM 0 HG3 ARG A 86 -3.851 13.660 -1.538 1.00 72.33 H new ATOM 0 HD2 ARG A 86 -6.235 12.737 -0.672 1.00 21.21 H new ATOM 0 HD3 ARG A 86 -5.606 11.235 -1.322 1.00 21.21 H new ATOM 0 HE ARG A 86 -3.488 12.210 0.202 1.00 60.45 H new ATOM 0 HH11 ARG A 86 -6.790 11.100 0.757 1.00 71.32 H new ATOM 0 HH12 ARG A 86 -6.554 10.893 2.496 1.00 71.32 H new ATOM 0 HH21 ARG A 86 -3.258 12.135 2.489 1.00 11.30 H new ATOM 0 HH22 ARG A 86 -4.571 11.474 3.469 1.00 11.30 H new ATOM 1234 N ASN A 87 -2.669 15.452 -2.934 1.00 44.34 N ATOM 1235 CA ASN A 87 -1.760 16.443 -2.424 1.00 73.21 C ATOM 1236 C ASN A 87 -0.334 15.935 -2.601 1.00 20.43 C ATOM 1237 O ASN A 87 -0.078 14.742 -2.435 1.00 20.03 O ATOM 1238 CB ASN A 87 -2.044 16.775 -0.949 1.00 2.11 C ATOM 1239 CG ASN A 87 -2.206 15.648 0.074 1.00 15.33 C ATOM 1240 OD1 ASN A 87 -2.906 15.824 1.066 1.00 52.31 O ATOM 1241 ND2 ASN A 87 -1.575 14.499 -0.077 1.00 54.41 N ATOM 0 H ASN A 87 -2.269 14.515 -2.971 1.00 44.34 H new ATOM 0 HA ASN A 87 -1.896 17.368 -2.984 1.00 73.21 H new ATOM 0 HB2 ASN A 87 -1.234 17.415 -0.600 1.00 2.11 H new ATOM 0 HB3 ASN A 87 -2.956 17.371 -0.921 1.00 2.11 H new ATOM 0 HD21 ASN A 87 -1.672 13.768 0.627 1.00 54.41 H new ATOM 0 HD22 ASN A 87 -0.990 14.342 -0.898 1.00 54.41 H new ATOM 1247 N GLU A 88 0.623 16.833 -2.819 1.00 53.24 N ATOM 1248 CA GLU A 88 2.060 16.517 -2.779 1.00 44.51 C ATOM 1249 C GLU A 88 2.563 16.299 -1.343 1.00 41.12 C ATOM 1250 O GLU A 88 3.706 15.900 -1.123 1.00 41.12 O ATOM 1251 CB GLU A 88 2.875 17.633 -3.450 1.00 43.45 C ATOM 1252 CG GLU A 88 2.512 17.824 -4.928 1.00 14.24 C ATOM 1253 CD GLU A 88 3.542 18.694 -5.637 1.00 52.42 C ATOM 1254 OE1 GLU A 88 3.496 19.932 -5.470 1.00 14.03 O ATOM 1255 OE2 GLU A 88 4.386 18.153 -6.390 1.00 4.03 O ATOM 0 H GLU A 88 0.428 17.811 -3.031 1.00 53.24 H new ATOM 0 HA GLU A 88 2.198 15.585 -3.327 1.00 44.51 H new ATOM 0 HB2 GLU A 88 2.711 18.569 -2.916 1.00 43.45 H new ATOM 0 HB3 GLU A 88 3.937 17.401 -3.368 1.00 43.45 H new ATOM 0 HG2 GLU A 88 2.451 16.853 -5.419 1.00 14.24 H new ATOM 0 HG3 GLU A 88 1.527 18.283 -5.007 1.00 14.24 H new ATOM 1260 N ASN A 89 1.708 16.563 -0.354 1.00 21.44 N ATOM 1261 CA ASN A 89 2.080 16.704 1.049 1.00 4.32 C ATOM 1262 C ASN A 89 2.199 15.362 1.767 1.00 32.43 C ATOM 1263 O ASN A 89 2.336 15.350 2.990 1.00 15.53 O ATOM 1264 CB ASN A 89 1.087 17.609 1.800 1.00 51.52 C ATOM 1265 CG ASN A 89 0.577 18.832 1.054 1.00 73.03 C ATOM 1266 OD1 ASN A 89 -0.604 19.146 1.149 1.00 33.21 O ATOM 1267 ND2 ASN A 89 1.379 19.500 0.246 1.00 75.41 N ATOM 0 H ASN A 89 0.709 16.688 -0.515 1.00 21.44 H new ATOM 0 HA ASN A 89 3.066 17.169 1.054 1.00 4.32 H new ATOM 0 HB2 ASN A 89 0.228 17.004 2.089 1.00 51.52 H new ATOM 0 HB3 ASN A 89 1.564 17.946 2.720 1.00 51.52 H new ATOM 0 HD21 ASN A 89 1.017 20.280 -0.302 1.00 75.41 H new ATOM 0 HD22 ASN A 89 2.361 19.236 0.169 1.00 75.41 H new ATOM 1273 N ASN A 90 2.129 14.231 1.056 1.00 3.31 N ATOM 1274 CA ASN A 90 2.151 12.893 1.635 1.00 15.51 C ATOM 1275 C ASN A 90 3.440 12.178 1.236 1.00 14.40 C ATOM 1276 O ASN A 90 3.405 11.214 0.465 1.00 55.32 O ATOM 1277 CB ASN A 90 0.870 12.104 1.249 1.00 54.44 C ATOM 1278 CG ASN A 90 -0.291 12.248 2.222 1.00 43.53 C ATOM 1279 OD1 ASN A 90 -1.447 12.287 1.802 1.00 40.12 O ATOM 1280 ND2 ASN A 90 -0.010 12.278 3.514 1.00 4.34 N ATOM 0 H ASN A 90 2.054 14.226 0.039 1.00 3.31 H new ATOM 0 HA ASN A 90 2.146 12.963 2.723 1.00 15.51 H new ATOM 0 HB2 ASN A 90 0.541 12.434 0.263 1.00 54.44 H new ATOM 0 HB3 ASN A 90 1.124 11.047 1.164 1.00 54.44 H new ATOM 0 HD21 ASN A 90 -0.764 12.335 4.199 1.00 4.34 H new ATOM 0 HD22 ASN A 90 0.961 12.244 3.826 1.00 4.34 H new ATOM 1286 N PRO A 91 4.585 12.569 1.823 1.00 64.25 N ATOM 1287 CA PRO A 91 5.860 11.930 1.563 1.00 31.13 C ATOM 1288 C PRO A 91 5.819 10.476 2.036 1.00 54.22 C ATOM 1289 O PRO A 91 6.421 9.632 1.385 1.00 33.32 O ATOM 1290 CB PRO A 91 6.915 12.765 2.295 1.00 51.41 C ATOM 1291 CG PRO A 91 6.122 13.345 3.458 1.00 41.23 C ATOM 1292 CD PRO A 91 4.756 13.585 2.842 1.00 4.34 C ATOM 0 HA PRO A 91 6.099 11.891 0.500 1.00 31.13 H new ATOM 0 HB2 PRO A 91 7.751 12.155 2.637 1.00 51.41 H new ATOM 0 HB3 PRO A 91 7.330 13.545 1.657 1.00 51.41 H new ATOM 0 HG2 PRO A 91 6.071 12.653 4.299 1.00 41.23 H new ATOM 0 HG3 PRO A 91 6.566 14.268 3.831 1.00 41.23 H new ATOM 0 HD2 PRO A 91 3.972 13.515 3.596 1.00 4.34 H new ATOM 0 HD3 PRO A 91 4.695 14.584 2.410 1.00 4.34 H new ATOM 1297 N THR A 92 5.066 10.149 3.100 1.00 41.23 N ATOM 1298 CA THR A 92 4.938 8.776 3.579 1.00 44.12 C ATOM 1299 C THR A 92 4.491 7.885 2.426 1.00 72.25 C ATOM 1300 O THR A 92 5.213 6.974 2.027 1.00 74.12 O ATOM 1301 CB THR A 92 4.017 8.734 4.808 1.00 15.41 C ATOM 1302 OG1 THR A 92 4.614 9.520 5.815 1.00 4.44 O ATOM 1303 CG2 THR A 92 3.791 7.320 5.352 1.00 44.45 C ATOM 0 H THR A 92 4.535 10.829 3.644 1.00 41.23 H new ATOM 0 HA THR A 92 5.897 8.384 3.918 1.00 44.12 H new ATOM 0 HB THR A 92 3.040 9.112 4.507 1.00 15.41 H new ATOM 0 HG1 THR A 92 4.047 9.514 6.614 1.00 4.44 H new ATOM 0 HG21 THR A 92 3.132 7.365 6.219 1.00 44.45 H new ATOM 0 HG22 THR A 92 3.333 6.702 4.580 1.00 44.45 H new ATOM 0 HG23 THR A 92 4.747 6.886 5.645 1.00 44.45 H new ATOM 1311 N ALA A 93 3.335 8.191 1.838 1.00 62.23 N ATOM 1312 CA ALA A 93 2.833 7.454 0.697 1.00 60.12 C ATOM 1313 C ALA A 93 3.820 7.513 -0.476 1.00 33.04 C ATOM 1314 O ALA A 93 4.130 6.484 -1.062 1.00 71.34 O ATOM 1315 CB ALA A 93 1.470 8.040 0.326 1.00 43.34 C ATOM 0 H ALA A 93 2.729 8.953 2.143 1.00 62.23 H new ATOM 0 HA ALA A 93 2.721 6.399 0.946 1.00 60.12 H new ATOM 0 HB1 ALA A 93 1.065 7.504 -0.533 1.00 43.34 H new ATOM 0 HB2 ALA A 93 0.789 7.940 1.171 1.00 43.34 H new ATOM 0 HB3 ALA A 93 1.584 9.095 0.075 1.00 43.34 H new ATOM 1321 N LYS A 94 4.351 8.693 -0.795 1.00 1.50 N ATOM 1322 CA LYS A 94 5.275 8.908 -1.906 1.00 72.15 C ATOM 1323 C LYS A 94 6.452 7.935 -1.877 1.00 2.41 C ATOM 1324 O LYS A 94 6.656 7.204 -2.849 1.00 40.41 O ATOM 1325 CB LYS A 94 5.655 10.391 -1.904 1.00 11.10 C ATOM 1326 CG LYS A 94 6.405 10.894 -3.141 1.00 21.33 C ATOM 1327 CD LYS A 94 6.153 12.398 -3.374 1.00 21.53 C ATOM 1328 CE LYS A 94 6.261 13.253 -2.095 1.00 64.14 C ATOM 1329 NZ LYS A 94 6.283 14.709 -2.357 1.00 74.01 N ATOM 0 H LYS A 94 4.145 9.546 -0.275 1.00 1.50 H new ATOM 0 HA LYS A 94 4.802 8.682 -2.862 1.00 72.15 H new ATOM 0 HB2 LYS A 94 4.744 10.979 -1.792 1.00 11.10 H new ATOM 0 HB3 LYS A 94 6.271 10.587 -1.026 1.00 11.10 H new ATOM 0 HG2 LYS A 94 7.473 10.716 -3.019 1.00 21.33 H new ATOM 0 HG3 LYS A 94 6.086 10.329 -4.017 1.00 21.33 H new ATOM 0 HD2 LYS A 94 6.869 12.767 -4.108 1.00 21.53 H new ATOM 0 HD3 LYS A 94 5.160 12.528 -3.804 1.00 21.53 H new ATOM 0 HE2 LYS A 94 5.420 13.022 -1.442 1.00 64.14 H new ATOM 0 HE3 LYS A 94 7.168 12.975 -1.557 1.00 64.14 H new ATOM 0 HZ1 LYS A 94 7.110 15.133 -1.891 1.00 74.01 H new ATOM 0 HZ2 LYS A 94 6.339 14.876 -3.382 1.00 74.01 H new ATOM 0 HZ3 LYS A 94 5.415 15.142 -1.982 1.00 74.01 H new ATOM 1339 N TYR A 95 7.202 7.878 -0.775 1.00 11.30 N ATOM 1340 CA TYR A 95 8.310 6.939 -0.656 1.00 35.30 C ATOM 1341 C TYR A 95 7.804 5.488 -0.664 1.00 34.42 C ATOM 1342 O TYR A 95 8.398 4.661 -1.352 1.00 13.24 O ATOM 1343 CB TYR A 95 9.171 7.254 0.576 1.00 22.10 C ATOM 1344 CG TYR A 95 9.981 8.541 0.476 1.00 34.32 C ATOM 1345 CD1 TYR A 95 11.155 8.594 -0.300 1.00 42.33 C ATOM 1346 CD2 TYR A 95 9.582 9.687 1.185 1.00 22.22 C ATOM 1347 CE1 TYR A 95 11.890 9.789 -0.406 1.00 55.11 C ATOM 1348 CE2 TYR A 95 10.289 10.895 1.065 1.00 12.24 C ATOM 1349 CZ TYR A 95 11.430 10.959 0.241 1.00 44.32 C ATOM 1350 OH TYR A 95 12.096 12.137 0.076 1.00 63.43 O ATOM 0 H TYR A 95 7.060 8.470 0.043 1.00 11.30 H new ATOM 0 HA TYR A 95 8.954 7.054 -1.528 1.00 35.30 H new ATOM 0 HB2 TYR A 95 8.522 7.317 1.449 1.00 22.10 H new ATOM 0 HB3 TYR A 95 9.855 6.423 0.746 1.00 22.10 H new ATOM 0 HD1 TYR A 95 11.494 7.709 -0.818 1.00 42.33 H new ATOM 0 HD2 TYR A 95 8.719 9.638 1.832 1.00 22.22 H new ATOM 0 HE1 TYR A 95 12.804 9.813 -0.981 1.00 55.11 H new ATOM 0 HE2 TYR A 95 9.959 11.772 1.603 1.00 12.24 H new ATOM 0 HH TYR A 95 11.647 12.841 0.589 1.00 63.43 H new ATOM 1359 N ARG A 96 6.707 5.139 0.031 1.00 62.24 N ATOM 1360 CA ARG A 96 6.165 3.771 -0.001 1.00 31.01 C ATOM 1361 C ARG A 96 5.830 3.316 -1.419 1.00 35.23 C ATOM 1362 O ARG A 96 6.198 2.204 -1.782 1.00 41.25 O ATOM 1363 CB ARG A 96 4.908 3.624 0.868 1.00 74.13 C ATOM 1364 CG ARG A 96 5.184 3.724 2.364 1.00 32.44 C ATOM 1365 CD ARG A 96 3.951 3.394 3.199 1.00 23.30 C ATOM 1366 NE ARG A 96 4.252 3.462 4.635 1.00 54.44 N ATOM 1367 CZ ARG A 96 3.371 3.627 5.624 1.00 31.00 C ATOM 1368 NH1 ARG A 96 2.072 3.749 5.377 1.00 60.11 N ATOM 1369 NH2 ARG A 96 3.816 3.689 6.870 1.00 62.32 N ATOM 0 H ARG A 96 6.180 5.784 0.620 1.00 62.24 H new ATOM 0 HA ARG A 96 6.956 3.139 0.402 1.00 31.01 H new ATOM 0 HB2 ARG A 96 4.190 4.395 0.587 1.00 74.13 H new ATOM 0 HB3 ARG A 96 4.441 2.662 0.657 1.00 74.13 H new ATOM 0 HG2 ARG A 96 5.993 3.044 2.629 1.00 32.44 H new ATOM 0 HG3 ARG A 96 5.524 4.732 2.603 1.00 32.44 H new ATOM 0 HD2 ARG A 96 3.148 4.091 2.959 1.00 23.30 H new ATOM 0 HD3 ARG A 96 3.593 2.396 2.946 1.00 23.30 H new ATOM 0 HE ARG A 96 5.232 3.374 4.903 1.00 54.44 H new ATOM 0 HH11 ARG A 96 1.730 3.717 4.416 1.00 60.11 H new ATOM 0 HH12 ARG A 96 1.416 3.874 6.148 1.00 60.11 H new ATOM 0 HH21 ARG A 96 4.815 3.611 7.059 1.00 62.32 H new ATOM 0 HH22 ARG A 96 3.159 3.815 7.640 1.00 62.32 H new ATOM 1380 N ALA A 97 5.139 4.135 -2.210 1.00 43.25 N ATOM 1381 CA ALA A 97 4.769 3.827 -3.581 1.00 23.22 C ATOM 1382 C ALA A 97 6.028 3.648 -4.425 1.00 62.41 C ATOM 1383 O ALA A 97 6.144 2.667 -5.156 1.00 71.11 O ATOM 1384 CB ALA A 97 3.924 4.973 -4.135 1.00 71.54 C ATOM 0 H ALA A 97 4.815 5.052 -1.903 1.00 43.25 H new ATOM 0 HA ALA A 97 4.193 2.902 -3.612 1.00 23.22 H new ATOM 0 HB1 ALA A 97 3.641 4.752 -5.164 1.00 71.54 H new ATOM 0 HB2 ALA A 97 3.026 5.089 -3.528 1.00 71.54 H new ATOM 0 HB3 ALA A 97 4.502 5.897 -4.108 1.00 71.54 H new ATOM 1390 N ARG A 98 6.986 4.574 -4.321 1.00 55.41 N ATOM 1391 CA ARG A 98 8.249 4.515 -5.056 1.00 63.21 C ATOM 1392 C ARG A 98 9.091 3.295 -4.674 1.00 31.23 C ATOM 1393 O ARG A 98 9.872 2.809 -5.493 1.00 24.10 O ATOM 1394 CB ARG A 98 9.020 5.821 -4.815 1.00 35.30 C ATOM 1395 CG ARG A 98 8.470 6.959 -5.684 1.00 51.31 C ATOM 1396 CD ARG A 98 8.916 8.325 -5.157 1.00 40.15 C ATOM 1397 NE ARG A 98 8.889 9.374 -6.187 1.00 24.30 N ATOM 1398 CZ ARG A 98 7.842 9.928 -6.812 1.00 3.23 C ATOM 1399 NH1 ARG A 98 6.590 9.539 -6.599 1.00 42.35 N ATOM 1400 NH2 ARG A 98 8.077 10.908 -7.672 1.00 44.04 N ATOM 0 H ARG A 98 6.904 5.393 -3.718 1.00 55.41 H new ATOM 0 HA ARG A 98 8.029 4.405 -6.118 1.00 63.21 H new ATOM 0 HB2 ARG A 98 8.952 6.098 -3.763 1.00 35.30 H new ATOM 0 HB3 ARG A 98 10.076 5.669 -5.037 1.00 35.30 H new ATOM 0 HG2 ARG A 98 8.812 6.833 -6.711 1.00 51.31 H new ATOM 0 HG3 ARG A 98 7.381 6.912 -5.703 1.00 51.31 H new ATOM 0 HD2 ARG A 98 8.269 8.618 -4.330 1.00 40.15 H new ATOM 0 HD3 ARG A 98 9.927 8.242 -4.757 1.00 40.15 H new ATOM 0 HE ARG A 98 9.802 9.733 -6.467 1.00 24.30 H new ATOM 0 HH11 ARG A 98 6.395 8.789 -5.936 1.00 42.35 H new ATOM 0 HH12 ARG A 98 5.824 9.990 -7.098 1.00 42.35 H new ATOM 0 HH21 ARG A 98 9.033 11.219 -7.842 1.00 44.04 H new ATOM 0 HH22 ARG A 98 7.302 11.351 -8.165 1.00 44.04 H new ATOM 1411 N LEU A 99 8.948 2.801 -3.444 1.00 21.13 N ATOM 1412 CA LEU A 99 9.574 1.582 -2.950 1.00 24.13 C ATOM 1413 C LEU A 99 8.864 0.364 -3.527 1.00 34.33 C ATOM 1414 O LEU A 99 9.506 -0.436 -4.198 1.00 64.32 O ATOM 1415 CB LEU A 99 9.625 1.633 -1.413 1.00 24.33 C ATOM 1416 CG LEU A 99 10.198 0.397 -0.695 1.00 31.31 C ATOM 1417 CD1 LEU A 99 11.414 -0.211 -1.383 1.00 41.42 C ATOM 1418 CD2 LEU A 99 10.635 0.824 0.711 1.00 3.52 C ATOM 0 H LEU A 99 8.370 3.260 -2.740 1.00 21.13 H new ATOM 0 HA LEU A 99 10.607 1.498 -3.287 1.00 24.13 H new ATOM 0 HB2 LEU A 99 10.218 2.500 -1.122 1.00 24.33 H new ATOM 0 HB3 LEU A 99 8.613 1.801 -1.045 1.00 24.33 H new ATOM 0 HG LEU A 99 9.411 -0.358 -0.694 1.00 31.31 H new ATOM 0 HD11 LEU A 99 11.758 -1.076 -0.816 1.00 41.42 H new ATOM 0 HD12 LEU A 99 11.143 -0.522 -2.392 1.00 41.42 H new ATOM 0 HD13 LEU A 99 12.212 0.530 -1.433 1.00 41.42 H new ATOM 0 HD21 LEU A 99 11.045 -0.035 1.241 1.00 3.52 H new ATOM 0 HD22 LEU A 99 11.396 1.601 0.635 1.00 3.52 H new ATOM 0 HD23 LEU A 99 9.775 1.211 1.258 1.00 3.52 H new ATOM 1429 N MET A 100 7.546 0.253 -3.341 1.00 40.15 N ATOM 1430 CA MET A 100 6.738 -0.825 -3.913 1.00 41.21 C ATOM 1431 C MET A 100 7.025 -0.983 -5.415 1.00 22.52 C ATOM 1432 O MET A 100 7.240 -2.098 -5.876 1.00 51.35 O ATOM 1433 CB MET A 100 5.242 -0.550 -3.718 1.00 42.11 C ATOM 1434 CG MET A 100 4.718 -0.622 -2.278 1.00 0.41 C ATOM 1435 SD MET A 100 3.979 -2.224 -1.864 1.00 1.30 S ATOM 1436 CE MET A 100 4.120 -2.189 -0.071 1.00 2.32 C ATOM 0 H MET A 100 7.006 0.915 -2.784 1.00 40.15 H new ATOM 0 HA MET A 100 7.006 -1.745 -3.394 1.00 41.21 H new ATOM 0 HB2 MET A 100 5.023 0.442 -4.112 1.00 42.11 H new ATOM 0 HB3 MET A 100 4.682 -1.264 -4.322 1.00 42.11 H new ATOM 0 HG2 MET A 100 5.538 -0.419 -1.590 1.00 0.41 H new ATOM 0 HG3 MET A 100 3.976 0.162 -2.129 1.00 0.41 H new ATOM 0 HE1 MET A 100 3.708 -3.109 0.344 1.00 2.32 H new ATOM 0 HE2 MET A 100 5.170 -2.102 0.210 1.00 2.32 H new ATOM 0 HE3 MET A 100 3.568 -1.335 0.321 1.00 2.32 H new ATOM 1444 N LYS A 101 7.085 0.134 -6.151 1.00 0.22 N ATOM 1445 CA LYS A 101 7.455 0.220 -7.563 1.00 62.43 C ATOM 1446 C LYS A 101 8.724 -0.571 -7.829 1.00 35.54 C ATOM 1447 O LYS A 101 8.702 -1.568 -8.537 1.00 41.25 O ATOM 1448 CB LYS A 101 7.579 1.702 -7.934 1.00 72.13 C ATOM 1449 CG LYS A 101 7.824 2.002 -9.422 1.00 32.50 C ATOM 1450 CD LYS A 101 6.769 3.011 -9.879 1.00 2.10 C ATOM 1451 CE LYS A 101 7.020 3.622 -11.246 1.00 31.34 C ATOM 1452 NZ LYS A 101 5.925 4.553 -11.588 1.00 62.32 N ATOM 0 H LYS A 101 6.865 1.047 -5.754 1.00 0.22 H new ATOM 0 HA LYS A 101 6.689 -0.227 -8.196 1.00 62.43 H new ATOM 0 HB2 LYS A 101 6.666 2.212 -7.626 1.00 72.13 H new ATOM 0 HB3 LYS A 101 8.396 2.134 -7.356 1.00 72.13 H new ATOM 0 HG2 LYS A 101 8.826 2.405 -9.570 1.00 32.50 H new ATOM 0 HG3 LYS A 101 7.758 1.087 -10.011 1.00 32.50 H new ATOM 0 HD2 LYS A 101 5.797 2.518 -9.890 1.00 2.10 H new ATOM 0 HD3 LYS A 101 6.712 3.813 -9.143 1.00 2.10 H new ATOM 0 HE2 LYS A 101 7.973 4.151 -11.248 1.00 31.34 H new ATOM 0 HE3 LYS A 101 7.090 2.836 -11.998 1.00 31.34 H new ATOM 0 HZ1 LYS A 101 6.102 4.968 -12.525 1.00 62.32 H new ATOM 0 HZ2 LYS A 101 5.022 4.037 -11.603 1.00 62.32 H new ATOM 0 HZ3 LYS A 101 5.878 5.310 -10.877 1.00 62.32 H new ATOM 1462 N LYS A 102 9.819 -0.155 -7.201 1.00 3.12 N ATOM 1463 CA LYS A 102 11.124 -0.793 -7.356 1.00 64.15 C ATOM 1464 C LYS A 102 11.133 -2.259 -6.931 1.00 14.40 C ATOM 1465 O LYS A 102 11.971 -3.009 -7.407 1.00 60.12 O ATOM 1466 CB LYS A 102 12.187 -0.008 -6.580 1.00 73.41 C ATOM 1467 CG LYS A 102 13.385 0.256 -7.497 1.00 14.10 C ATOM 1468 CD LYS A 102 14.379 1.218 -6.847 1.00 55.13 C ATOM 1469 CE LYS A 102 15.752 1.074 -7.499 1.00 13.01 C ATOM 1470 NZ LYS A 102 15.804 1.487 -8.916 1.00 11.04 N ATOM 0 H LYS A 102 9.827 0.642 -6.564 1.00 3.12 H new ATOM 0 HA LYS A 102 11.356 -0.779 -8.421 1.00 64.15 H new ATOM 0 HB2 LYS A 102 11.772 0.935 -6.223 1.00 73.41 H new ATOM 0 HB3 LYS A 102 12.503 -0.570 -5.701 1.00 73.41 H new ATOM 0 HG2 LYS A 102 13.884 -0.685 -7.727 1.00 14.10 H new ATOM 0 HG3 LYS A 102 13.037 0.672 -8.442 1.00 14.10 H new ATOM 0 HD2 LYS A 102 14.025 2.244 -6.950 1.00 55.13 H new ATOM 0 HD3 LYS A 102 14.451 1.012 -5.779 1.00 55.13 H new ATOM 0 HE2 LYS A 102 16.472 1.666 -6.934 1.00 13.01 H new ATOM 0 HE3 LYS A 102 16.068 0.033 -7.425 1.00 13.01 H new ATOM 0 HZ1 LYS A 102 16.769 1.357 -9.280 1.00 11.04 H new ATOM 0 HZ2 LYS A 102 15.144 0.906 -9.471 1.00 11.04 H new ATOM 0 HZ3 LYS A 102 15.536 2.489 -8.996 1.00 11.04 H new ATOM 1480 N ILE A 103 10.245 -2.678 -6.036 1.00 44.23 N ATOM 1481 CA ILE A 103 10.143 -4.072 -5.636 1.00 54.13 C ATOM 1482 C ILE A 103 9.469 -4.845 -6.774 1.00 62.44 C ATOM 1483 O ILE A 103 9.997 -5.869 -7.198 1.00 31.43 O ATOM 1484 CB ILE A 103 9.438 -4.137 -4.259 1.00 64.52 C ATOM 1485 CG1 ILE A 103 10.436 -3.601 -3.211 1.00 3.23 C ATOM 1486 CG2 ILE A 103 8.975 -5.547 -3.858 1.00 62.21 C ATOM 1487 CD1 ILE A 103 9.814 -3.260 -1.857 1.00 62.01 C ATOM 0 H ILE A 103 9.579 -2.062 -5.570 1.00 44.23 H new ATOM 0 HA ILE A 103 11.109 -4.555 -5.485 1.00 54.13 H new ATOM 0 HB ILE A 103 8.529 -3.538 -4.316 1.00 64.52 H new ATOM 0 HG12 ILE A 103 11.218 -4.345 -3.060 1.00 3.23 H new ATOM 0 HG13 ILE A 103 10.918 -2.708 -3.610 1.00 3.23 H new ATOM 0 HG21 ILE A 103 8.491 -5.507 -2.882 1.00 62.21 H new ATOM 0 HG22 ILE A 103 8.268 -5.922 -4.598 1.00 62.21 H new ATOM 0 HG23 ILE A 103 9.837 -6.213 -3.809 1.00 62.21 H new ATOM 0 HD11 ILE A 103 10.588 -2.891 -1.184 1.00 62.01 H new ATOM 0 HD12 ILE A 103 9.052 -2.492 -1.990 1.00 62.01 H new ATOM 0 HD13 ILE A 103 9.358 -4.154 -1.431 1.00 62.01 H new ATOM 1498 N ALA A 104 8.340 -4.360 -7.296 1.00 44.02 N ATOM 1499 CA ALA A 104 7.626 -4.992 -8.400 1.00 53.10 C ATOM 1500 C ALA A 104 8.433 -4.978 -9.712 1.00 74.31 C ATOM 1501 O ALA A 104 8.222 -5.827 -10.576 1.00 64.33 O ATOM 1502 CB ALA A 104 6.292 -4.267 -8.586 1.00 3.24 C ATOM 0 H ALA A 104 7.894 -3.508 -6.958 1.00 44.02 H new ATOM 0 HA ALA A 104 7.464 -6.041 -8.152 1.00 53.10 H new ATOM 0 HB1 ALA A 104 5.741 -4.724 -9.408 1.00 3.24 H new ATOM 0 HB2 ALA A 104 5.706 -4.342 -7.670 1.00 3.24 H new ATOM 0 HB3 ALA A 104 6.477 -3.217 -8.813 1.00 3.24 H new ATOM 1508 N ASP A 105 9.343 -4.016 -9.856 1.00 43.43 N ATOM 1509 CA ASP A 105 10.246 -3.811 -10.993 1.00 14.04 C ATOM 1510 C ASP A 105 11.229 -4.973 -11.089 1.00 60.53 C ATOM 1511 O ASP A 105 11.461 -5.539 -12.158 1.00 40.11 O ATOM 1512 CB ASP A 105 11.003 -2.496 -10.757 1.00 32.32 C ATOM 1513 CG ASP A 105 12.013 -2.120 -11.834 1.00 12.41 C ATOM 1514 OD1 ASP A 105 11.646 -2.062 -13.033 1.00 75.25 O ATOM 1515 OD2 ASP A 105 13.134 -1.723 -11.464 1.00 75.55 O ATOM 0 H ASP A 105 9.480 -3.310 -9.133 1.00 43.43 H new ATOM 0 HA ASP A 105 9.684 -3.762 -11.926 1.00 14.04 H new ATOM 0 HB2 ASP A 105 10.276 -1.689 -10.667 1.00 32.32 H new ATOM 0 HB3 ASP A 105 11.524 -2.563 -9.802 1.00 32.32 H new ATOM 1519 N LEU A 106 11.772 -5.361 -9.936 1.00 20.23 N ATOM 1520 CA LEU A 106 12.759 -6.418 -9.773 1.00 60.31 C ATOM 1521 C LEU A 106 12.118 -7.813 -9.705 1.00 23.11 C ATOM 1522 O LEU A 106 12.833 -8.764 -9.376 1.00 24.45 O ATOM 1523 CB LEU A 106 13.554 -6.143 -8.481 1.00 74.50 C ATOM 1524 CG LEU A 106 14.384 -4.851 -8.437 1.00 12.01 C ATOM 1525 CD1 LEU A 106 14.830 -4.577 -6.995 1.00 14.22 C ATOM 1526 CD2 LEU A 106 15.636 -4.937 -9.307 1.00 20.41 C ATOM 0 H LEU A 106 11.521 -4.923 -9.050 1.00 20.23 H new ATOM 0 HA LEU A 106 13.414 -6.414 -10.644 1.00 60.31 H new ATOM 0 HB2 LEU A 106 12.851 -6.123 -7.648 1.00 74.50 H new ATOM 0 HB3 LEU A 106 14.226 -6.984 -8.311 1.00 74.50 H new ATOM 0 HG LEU A 106 13.749 -4.051 -8.817 1.00 12.01 H new ATOM 0 HD11 LEU A 106 15.419 -3.660 -6.964 1.00 14.22 H new ATOM 0 HD12 LEU A 106 13.953 -4.466 -6.358 1.00 14.22 H new ATOM 0 HD13 LEU A 106 15.436 -5.409 -6.637 1.00 14.22 H new ATOM 0 HD21 LEU A 106 16.189 -4.000 -9.243 1.00 20.41 H new ATOM 0 HD22 LEU A 106 16.266 -5.755 -8.958 1.00 20.41 H new ATOM 0 HD23 LEU A 106 15.348 -5.118 -10.343 1.00 20.41 H new ATOM 1537 N TRP A 107 10.805 -7.951 -9.943 1.00 11.03 N ATOM 1538 CA TRP A 107 10.041 -9.145 -9.599 1.00 1.21 C ATOM 1539 C TRP A 107 10.161 -10.238 -10.666 1.00 21.25 C ATOM 1540 O TRP A 107 11.267 -10.804 -10.812 1.00 74.42 O ATOM 1541 CB TRP A 107 8.603 -8.735 -9.252 1.00 15.42 C ATOM 1542 CG TRP A 107 7.849 -9.705 -8.402 1.00 63.30 C ATOM 1543 CD1 TRP A 107 7.167 -10.784 -8.841 1.00 41.00 C ATOM 1544 CD2 TRP A 107 7.637 -9.660 -6.961 1.00 20.24 C ATOM 1545 NE1 TRP A 107 6.607 -11.445 -7.771 1.00 60.22 N ATOM 1546 CE2 TRP A 107 6.852 -10.787 -6.588 1.00 52.03 C ATOM 1547 CE3 TRP A 107 7.970 -8.741 -5.943 1.00 35.41 C ATOM 1548 CZ2 TRP A 107 6.423 -10.999 -5.275 1.00 23.12 C ATOM 1549 CZ3 TRP A 107 7.562 -8.957 -4.610 1.00 13.05 C ATOM 1550 CH2 TRP A 107 6.778 -10.078 -4.277 1.00 52.34 C ATOM 0 H TRP A 107 10.243 -7.224 -10.385 1.00 11.03 H new ATOM 0 HA TRP A 107 10.462 -9.614 -8.710 1.00 1.21 H new ATOM 0 HB2 TRP A 107 8.631 -7.773 -8.739 1.00 15.42 H new ATOM 0 HB3 TRP A 107 8.051 -8.586 -10.180 1.00 15.42 H new ATOM 0 HD1 TRP A 107 7.075 -11.083 -9.875 1.00 41.00 H new ATOM 0 HE1 TRP A 107 6.077 -12.313 -7.846 1.00 60.22 H new ATOM 0 HE3 TRP A 107 8.545 -7.860 -6.188 1.00 35.41 H new ATOM 0 HZ2 TRP A 107 5.824 -11.864 -5.030 1.00 23.12 H new ATOM 0 HZ3 TRP A 107 7.853 -8.258 -3.840 1.00 13.05 H new ATOM 0 HH2 TRP A 107 6.451 -10.229 -3.259 1.00 52.34 H new